| 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 | 32.2 | Very low | 80 | Confident | 210 Ų | 210 | 57.1 Ų | 57.1 | 100% | 1.034 | 33% | 0.329 | S | S | * | . | 0 | 154.5 | 0 | -71.1 | -179.9 | -175.8 | 0 | 0 | 108.3 | S3 | M1-S3 PolarHBondContact O-N 2.87Š| |||
| 2 | A | 47.4 | Very low | 81 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 85% | 0.851 | 33% | 0.33 | S | S | * | . | trans | -67.7 | 100.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | T4 | A2-T4 PolarHBondContact O-N 3.29Š| ||
| 3 | S | 65.4 | Low | 81.7 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 129.3 | 175.9 | 49.2 | 0 | 0 | 0 | 0 | 109.2 | M1 Y19 | M1-S3 PolarHBondContact O-N 2.87Å; S3-Y19 WeakPolarHBondContact OG-CD1 3.33Å |
| 4 | T | 82.6 | Confident | 82.4 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 133.9 | 177.9 | -50.4 | 0 | 0 | 0 | 0 | 109.2 | A2 C6 S20 | A2-T4 PolarHBondContact O-N 3.29Å; T4-C6 PolarHBondContact O-N 2.66Å; T4-S20 WeakPolarHBondContact CB-OG 3.46Å; T4-S20 PolarHBondContact N-OG 3.11Å; T4-S20 WeakPolarHBondContact O-CB 3.37Å; T4-S20 PolarHBondContact O-N 3.44Å; T4-S20 PolarHBondContact O-OG 3.15Å |
| 5 | D | 88.2 | Confident | 83.1 | Confident | 87 Ų | 87 | 53 Ų | 53 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 136.6 | 173.8 | -64.3 | -17 | 0 | 0 | 0 | 110.4 | Y19 | D5-Y19 VanDerWaalsContact OD1-CE1 3.29Å; D5-Y19 WeakPolarHBondContact OD1-CE1 3.49Å |
| 6 | C | 92.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 165.5 | 171.5 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | T4 G18 Y19 S20 I129 I151 V152 Y153 | T4-C6 PolarHBondContact O-N 2.66Å; C6-G18 PolarHBondContact N-O 2.99Å; C6-G18 CarbonylContact O-C 3.52Å; C6-G18 PolarHBondContact O-N 2.96Å; C6-Y19 VanDerWaalsContact SG-C 3.55Å; C6-S20 VanDerWaalsContact SG-CA 3.56Å; C6-S20 PolarHBondContact SG-N 2.65Å; C6-I129 VanDerWaalsContact SG-CD1 3.51Å; C6-I129 WeakPolarHBondContact SG-CG1 3.18Å; C6-I151 HydrophobicContact CB-CG2 4.38Å; C6-V152 CarbonylContact C-O 3.54Å; C6-V152 WeakPolarHBondContact CA-O 3.49Å; C6-V152 WeakPolarHBondContact CB-O 3.27Å; C6-Y153 HydrophobicContact CB-CD1 3.82Å; C6-Y153 HydrophobicContact CB-CE1 3.95Å; C6-Y153 HydrophobicContact CB-CG 4.41Å |
| 7 | Y | 94.3 | Very high | 84.2 | Confident | 37 Ų | 37 | 54 Ų | 54 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.9 | -171.4 | -53.9 | -95.3 | 0 | 0 | 0 | 110 | V15 L16 P17 I151 V152 K155 P156 | Y7-V15 HydrophobicContact CD1-CG1 3.98Å; Y7-V15 HydrophobicContact CG-CG1 4.37Å; Y7-L16 WeakPolarHBondContact CA-O 3.42Å; Y7-P17 HydrophobicContact CD1-CB 3.95Å; Y7-P17 HydrophobicContact CE1-CB 3.95Å; Y7-I151 WeakPolarHBondContact O-CA 3.46Å; Y7-V152 PolarHBondContact N-O 2.66Å; Y7-V152 PolarHBondContact O-N 3.46Å; Y7-K155 HydrophobicContact CE1-CB 4.36Å; Y7-K155 HydrophobicContact CE1-CG 3.99Å; Y7-K155 VanDerWaalsContact CE2-CA 3.5Å; Y7-K155 HydrophobicContact CE2-CB 3.89Å; Y7-K155 HydrophobicContact CE2-CG 4.42Å; Y7-P156 HydrophobicContact CG-CG 4.39Å |
| 8 | L | 95.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 107 | 166.4 | 176.9 | 64.2 | 0 | 0 | 0 | 108.5 | L10 V15 L16 V100 I129 L137 I151 | L8-L10 HydrophobicContact CD1-CD2 4.34Å; L8-L10 HydrophobicContact CD2-CD2 4.34Å; L8-L10 HydrophobicContact CG-CD2 4.08Å; L8-V15 WeakPolarHBondContact O-CA 3.36Å; L8-L16 HydrophobicContact CB-CB 4.37Å; L8-L16 HydrophobicContact CD2-CD1 4.38Å; L8-L16 PolarHBondContact N-O 3.43Å; L8-L16 PolarHBondContact O-N 2.93Å; L8-V100 HydrophobicContact CD2-CG1 4.38Å; L8-V100 HydrophobicContact CD2-CG2 4.08Å; L8-I129 HydrophobicContact CB-CD1 4.29Å; L8-L137 HydrophobicContact CD2-CD2 3.72Å; L8-I151 HydrophobicContact CD1-CG1 4.12Å |
| 9 | A | 94.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | T14 V15 G149 K150 P156 L161 F166 | A9-T14 CarbonylContact C-O 3.52Å; A9-T14 WeakPolarHBondContact CA-O 3.12Å; A9-V15 HydrophobicContact CB-CG2 4.4Å; A9-G149 CarbonylContact O-C 3.59Å; A9-G149 VanDerWaalsContact O-CA 3.23Å; A9-G149 WeakPolarHBondContact O-CA 3.26Å; A9-K150 PolarHBondContact N-O 3.4Å; A9-K150 PolarHBondContact O-N 3.18Å; A9-P156 HydrophobicContact CB-CG 4.33Å; A9-L161 HydrophobicContact CB-CD1 3.59Å; A9-L161 HydrophobicContact CB-CG 3.92Å; A9-F166 WeakPolarHBondContact O-CE1 3.37Å |
| 10 | L | 94.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 156.5 | 176.2 | -54.4 | -177 | 0 | 0 | 0 | 110.7 | L8 D12 G13 T14 V38 L137 K140 F166 | L8-L10 HydrophobicContact CD1-CD2 4.34Å; L8-L10 HydrophobicContact CD2-CD2 4.34Å; L8-L10 HydrophobicContact CG-CD2 4.08Å; L10-D12 WeakPolarHBondContact CB-OD1 3.45Å; L10-D12 PolarHBondContact O-N 3.07Å; L10-G13 PolarHBondContact O-N 3.05Å; L10-T14 HydrophobicContact CD1-CG2 4.32Å; L10-T14 PolarHBondContact N-O 3.23Å; L10-V38 HydrophobicContact CD2-CG2 3.85Å; L10-L137 HydrophobicContact CD1-CD1 3.98Å; L10-K140 HydrophobicContact CD1-CD 3.7Å; L10-F166 WeakPolarHBondContact O-CZ 3.47Å |
| 11 | E | 92.9 | Very high | 86 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 31% | 0.308 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.4 | -176.1 | 69.7 | -177.7 | 147.7 | 0 | 0 | 115.5 | G13 M147 L148 F166 | E11-G13 VanDerWaalsContact C-N 3.26Å; E11-M147 HydrophobicContact CG-CB 4.32Å; E11-M147 HydrophobicContact CG-CE 4.07Å; E11-M147 WeakPolarHBondContact OE1-CA 3.44Å; E11-L148 HydrophobicContact CB-CB 4.18Å; E11-L148 HydrophobicContact CG-CB 4.36Å; E11-L148 PolarHBondContact N-O 3.17Å; E11-L148 PolarHBondContact OE1-N 2.98Å; E11-F166 HydrophobicContact CB-CD1 4.31Å; E11-F166 HydrophobicContact CB-CD2 4.19Å; E11-F166 HydrophobicContact CB-CE1 4.4Å; E11-F166 HydrophobicContact CB-CE2 4.28Å; E11-F166 HydrophobicContact CB-CG 4.2Å; E11-F166 HydrophobicContact CB-CZ 4.39Å |
| 12 | D | 91.6 | Very high | 88.9 | Confident | 65 Ų | 65 | 40.2 Ų | 40.2 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -3.7 | 172.2 | 72.1 | -14.7 | 0 | 0 | 0 | 113.4 | L10 T14 K140 Q144 M147 | L10-D12 WeakPolarHBondContact CB-OD1 3.45Å; L10-D12 PolarHBondContact O-N 3.07Å; D12-T14 WeakPolarHBondContact OD1-CB 3.4Å; D12-T14 PolarHBondContact OD1-N 2.67Å; D12-T14 PolarHBondContact OD1-OG1 2.9Å; D12-T14 PolarHBondContact OD2-OG1 3.49Å; D12-K140 IonicContact OD2-NZ 2.75Å; D12-K140 PolarHBondContact OD2-NZ 3.1Å; D12-Q144 PolarHBondContact OD2-OE1 3.13Å; D12-M147 HydrophobicContact CB-CE 3.52Å |
| 13 | G | 90.6 | Very high | 91.1 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 22% | 0.216 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 96.3 | -2.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L10 E11 V15 | L10-G13 PolarHBondContact O-N 3.05Å; E11-G13 VanDerWaalsContact C-N 3.26Å; G13-V15 PolarHBondContact O-N 3.32Å |
| 14 | T | 91.8 | Very high | 92.2 | Very high | 33 Ų | 33 | 37.4 Ų | 37.4 | 20% | 0.202 | 21% | 0.209 | C | C | . | . | trans | -64.8 | 134.2 | 174.9 | -53.3 | 0 | 0 | 0 | 0 | 110.4 | A9 L10 D12 L16 K140 | A9-T14 CarbonylContact C-O 3.52Å; A9-T14 WeakPolarHBondContact CA-O 3.12Å; L10-T14 HydrophobicContact CD1-CG2 4.32Å; L10-T14 PolarHBondContact N-O 3.23Å; D12-T14 WeakPolarHBondContact OD1-CB 3.4Å; D12-T14 PolarHBondContact OD1-N 2.67Å; D12-T14 PolarHBondContact OD1-OG1 2.9Å; D12-T14 PolarHBondContact OD2-OG1 3.49Å; T14-L16 HydrophobicContact CG2-CD2 4.11Å; T14-L16 HydrophobicContact CG2-CG 4.21Å; T14-K140 HydrophobicContact CG2-CD 4.42Å; T14-K140 VanDerWaalsContact OG1-CE 3.27Å; T14-K140 WeakPolarHBondContact OG1-CE 3.48Å; T14-K140 PolarHBondContact OG1-NZ 2.88Å; T14-K140 VanDerWaalsContact OG1-NZ 3.1Å | ||
| 15 | V | 92.7 | Very high | 92.2 | Very high | 48 Ų | 48 | 34.5 Ų | 34.5 | 29% | 0.291 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 115.7 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | Y7 L8 A9 G13 P156 | Y7-V15 HydrophobicContact CD1-CG1 3.98Å; Y7-V15 HydrophobicContact CG-CG1 4.37Å; L8-V15 WeakPolarHBondContact O-CA 3.36Å; A9-V15 HydrophobicContact CB-CG2 4.4Å; G13-V15 PolarHBondContact O-N 3.32Å; V15-P156 HydrophobicContact CG1-CB 4.25Å; V15-P156 HydrophobicContact CG1-CG 3.67Å; V15-P156 HydrophobicContact CG2-CB 3.83Å; V15-P156 HydrophobicContact CG2-CG 4.01Å |
| 16 | L | 92.7 | Very high | 91.8 | Very high | 36 Ų | 36 | 33.6 Ų | 33.6 | 19% | 0.188 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 113.8 | 178.6 | -58.6 | 174.9 | 0 | 0 | 0 | 109.6 | Y7 L8 T14 I132 L137 | Y7-L16 WeakPolarHBondContact CA-O 3.42Å; L8-L16 HydrophobicContact CB-CB 4.37Å; L8-L16 HydrophobicContact CD2-CD1 4.38Å; L8-L16 PolarHBondContact N-O 3.43Å; L8-L16 PolarHBondContact O-N 2.93Å; T14-L16 HydrophobicContact CG2-CD2 4.11Å; T14-L16 HydrophobicContact CG2-CG 4.21Å; L16-I132 HydrophobicContact CB-CD1 3.94Å; L16-I132 HydrophobicContact CD1-CG2 4.24Å; L16-L137 HydrophobicContact CD1-CB 4.19Å; L16-L137 HydrophobicContact CD1-CD1 3.97Å; L16-L137 HydrophobicContact CD1-CD2 4.27Å; L16-L137 HydrophobicContact CD1-CG 4.37Å |
| 17 | P | 92.2 | Very high | 90.7 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 57% | 0.565 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 145.7 | 176.1 | 31.9 | -33.8 | 0 | 0 | 0 | 111 | Y7 I132 | Y7-P17 HydrophobicContact CD1-CB 3.95Å; Y7-P17 HydrophobicContact CE1-CB 3.95Å; P17-I132 WeakPolarHBondContact O-CD1 3.31Å |
| 18 | G | 93.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | -170 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C6 Q130 | C6-G18 PolarHBondContact N-O 2.99Å; C6-G18 CarbonylContact O-C 3.52Å; C6-G18 PolarHBondContact O-N 2.96Å; G18-Q130 CarbonylContact C-O 3.49Å; G18-Q130 VanDerWaalsContact CA-O 3.24Å; G18-Q130 WeakPolarHBondContact CA-O 3.26Å |
| 19 | Y | 93.9 | Very high | 87.7 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.5 | -179 | -66.4 | -66.9 | 0 | 0 | 0 | 111.5 | S3 D5 C6 I129 Q130 D131 | S3-Y19 WeakPolarHBondContact OG-CD1 3.33Å; D5-Y19 VanDerWaalsContact OD1-CE1 3.29Å; D5-Y19 WeakPolarHBondContact OD1-CE1 3.49Å; C6-Y19 VanDerWaalsContact SG-C 3.55Å; Y19-I129 WeakPolarHBondContact O-CA 3.09Å; Y19-Q130 PolarHBondContact N-O 3.14Å; Y19-Q130 WeakPolarHBondContact O-CG 3.24Å; Y19-Q130 PolarHBondContact O-N 2.8Å; Y19-D131 HydrophobicContact CD2-CB 3.83Å; Y19-D131 HydrophobicContact CE2-CB 4.29Å |
| 20 | S | 93.8 | Very high | 86.2 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 143.8 | 179.2 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | T4 C6 G128 | T4-S20 WeakPolarHBondContact CB-OG 3.46Å; T4-S20 PolarHBondContact N-OG 3.11Å; T4-S20 WeakPolarHBondContact O-CB 3.37Å; T4-S20 PolarHBondContact O-N 3.44Å; T4-S20 PolarHBondContact O-OG 3.15Å; C6-S20 VanDerWaalsContact SG-CA 3.56Å; C6-S20 PolarHBondContact SG-N 2.65Å; S20-G128 WeakPolarHBondContact CA-O 3.29Å |
| 21 | F | 94.7 | Very high | 84.7 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 169.3 | 165 | 70.4 | -86.9 | 0 | 0 | 0 | 109.6 | L99 V101 V104 P118 L121 G128 I129 Q130 | F21-L99 HydrophobicContact CE2-CD2 4.12Å; F21-L99 HydrophobicContact CZ-CD2 3.94Å; F21-L99 HydrophobicContact CZ-CG 4.27Å; F21-V101 HydrophobicContact CE1-CG2 3.72Å; F21-V101 HydrophobicContact CZ-CG2 3.79Å; F21-V104 HydrophobicContact CB-CG1 4.34Å; F21-V104 HydrophobicContact CD1-CB 4.49Å; F21-V104 HydrophobicContact CD1-CG1 4.22Å; F21-V104 HydrophobicContact CD2-CB 4.41Å; F21-V104 HydrophobicContact CD2-CG1 4.24Å; F21-V104 HydrophobicContact CD2-CG2 4.1Å; F21-V104 HydrophobicContact CE1-CB 4.37Å; F21-V104 HydrophobicContact CE2-CB 4.29Å; F21-V104 HydrophobicContact CE2-CG2 3.87Å; F21-V104 HydrophobicContact CG-CG1 4.03Å; F21-V104 HydrophobicContact CZ-CB 4.28Å; F21-V104 HydrophobicContact CZ-CG2 4.24Å; F21-P118 HydrophobicContact CD2-CB 4.34Å; F21-P118 HydrophobicContact CD2-CG 4.15Å; F21-L121 HydrophobicContact CD2-CD1 4.16Å; F21-L121 HydrophobicContact CE2-CD1 3.59Å; F21-L121 HydrophobicContact CZ-CD1 4.48Å; F21-G128 VanDerWaalsContact CD1-C 3.48Å; F21-G128 VanDerWaalsContact CE1-C 3.45Å; F21-G128 PolarHBondContact N-O 3.22Å; F21-G128 WeakPolarHBondContact O-CA 3.22Å; F21-G128 PolarHBondContact O-N 3.23Å; F21-I129 VanDerWaalsContact CE1-C 3.42Å; F21-I129 VanDerWaalsContact CE1-N 3.3Å; F21-Q130 HydrophobicContact CD1-CB 3.97Å; F21-Q130 HydrophobicContact CD1-CG 4.13Å; F21-Q130 HydrophobicContact CE1-CB 3.95Å |
| 22 | G | 93.2 | Very high | 83.6 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.1 | -132 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V24 P118 | G22-V24 PolarHBondContact O-N 3.35Å; G22-P118 WeakPolarHBondContact CA-O 3.43Å |
| 23 | Y | 92.9 | Very high | 83.1 | Confident | 34 Ų | 34 | 57 Ų | 57 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | trans | -79.4 | 115.1 | 177.8 | -176 | -108.2 | 0 | 0 | 0 | 111.8 | P25 E29 F34 K125 V126 P127 Y153 | Y23-P25 HydrophobicContact CE1-CB 4.07Å; Y23-E29 PolarHBondContact OH-OE2 3.02Å; Y23-F34 HydrophobicContact CD1-CE2 4.38Å; Y23-F34 AromaticContact CD1-CZ 3.74Å; Y23-F34 HydrophobicContact CD1-CZ 3.74Å; Y23-F34 AromaticContact CE1-CZ 3.77Å; Y23-F34 HydrophobicContact CE1-CZ 3.77Å; Y23-K125 VanDerWaalsContact CB-C 3.41Å; Y23-K125 HydrophobicContact CD1-CB 4.14Å; Y23-K125 HydrophobicContact CD2-CB 3.93Å; Y23-K125 HydrophobicContact CD2-CG 3.99Å; Y23-K125 HydrophobicContact CE1-CB 4.26Å; Y23-K125 HydrophobicContact CE2-CB 4.03Å; Y23-K125 HydrophobicContact CE2-CD 4.22Å; Y23-K125 HydrophobicContact CE2-CG 3.79Å; Y23-K125 VanDerWaalsContact CG-CA 3.44Å; Y23-K125 HydrophobicContact CG-CB 3.97Å; Y23-V126 WeakPolarHBondContact CB-O 3.47Å; Y23-V126 PolarHBondContact N-O 2.8Å; Y23-P127 WeakPolarHBondContact O-CA 3.47Å; Y23-P127 WeakPolarHBondContact O-CB 3.35Å; Y23-Y153 PolarHBondContact O-OH 2.71Å | ||
| 24 | V | 88.2 | Confident | 83.1 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -97.6 | 118.2 | 167.7 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | G22 Y153 | G22-V24 PolarHBondContact O-N 3.35Å; V24-Y153 HydrophobicContact CG1-CD1 4.32Å; V24-Y153 HydrophobicContact CG1-CE1 4.03Å |
| 25 | P | 83.3 | Confident | 83.1 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.071 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 154.3 | -179.5 | 28 | -34.8 | 0 | 0 | 0 | 112 | Y23 E29 F34 Y153 | Y23-P25 HydrophobicContact CE1-CB 4.07Å; P25-E29 HydrophobicContact CB-CB 3.49Å; P25-E29 VanDerWaalsContact CB-CB 3.49Å; P25-F34 HydrophobicContact CB-CE2 4.05Å; P25-F34 HydrophobicContact CB-CZ 4.48Å; P25-F34 HydrophobicContact CG-CE2 3.94Å; P25-Y153 WeakPolarHBondContact CD-OH 3.13Å; P25-Y153 HydrophobicContact CG-CD2 3.52Å; P25-Y153 HydrophobicContact CG-CE1 4.5Å; P25-Y153 HydrophobicContact CG-CE2 3.28Å; P25-Y153 HydrophobicContact CG-CG 4.27Å |
| 26 | S | 79.7 | Confident | 83.1 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 162.6 | 169.9 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | N28 E29 S30 | S26-N28 PolarHBondContact O-N 3.01Å; S26-E29 CarbonylContact O-C 3.6Å; S26-E29 WeakPolarHBondContact O-CA 3.39Å; S26-E29 PolarHBondContact O-N 2.92Å; S26-S30 PolarHBondContact O-N 3.01Å |
| 27 | E | 69.5 | Low | 83.2 | Confident | 172 Ų | 172 | 54.9 Ų | 54.9 | 80% | 0.804 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -27 | -176.5 | -73.1 | -175.6 | 169.7 | 0 | 0 | 115.6 | S30 | E27-S30 VanDerWaalsContact C-OG 3.29Å; E27-S30 WeakPolarHBondContact CA-OG 3.37Å; E27-S30 PolarHBondContact O-OG 3.3Å |
| 28 | N | 65 | Low | 83.5 | Confident | 134 Ų | 134 | 50.7 Ų | 50.7 | 72% | 0.717 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -34.7 | 175.9 | -76.3 | -27.7 | 0 | 0 | 0 | 112.6 | S26 | S26-N28 PolarHBondContact O-N 3.01Š|
| 29 | E | 61.5 | Low | 83.6 | Confident | 80 Ų | 80 | 50.5 Ų | 50.5 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -29.1 | 177.1 | -72.7 | 177.3 | 173.4 | 0 | 0 | 111.5 | Y23 P25 S26 K31 V32 G33 | Y23-E29 PolarHBondContact OH-OE2 3.02Å; P25-E29 HydrophobicContact CB-CB 3.49Å; P25-E29 VanDerWaalsContact CB-CB 3.49Å; S26-E29 CarbonylContact O-C 3.6Å; S26-E29 WeakPolarHBondContact O-CA 3.39Å; S26-E29 PolarHBondContact O-N 2.92Å; E29-K31 PolarHBondContact O-N 3.04Å; E29-V32 PolarHBondContact O-N 3.44Å; E29-V32 VanDerWaalsContact O-N 3.08Å; E29-G33 PolarHBondContact O-N 3.22Å |
| 30 | S | 61.5 | Low | 83.6 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29 | 179.5 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | S26 E27 | S26-S30 PolarHBondContact O-N 3.01Å; E27-S30 VanDerWaalsContact C-OG 3.29Å; E27-S30 WeakPolarHBondContact CA-OG 3.37Å; E27-S30 PolarHBondContact O-OG 3.3Å |
| 31 | K | 63.7 | Low | 83.6 | Confident | 149 Ų | 149 | 46.5 Ų | 46.5 | 65% | 0.648 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -30.7 | 174.7 | -70.6 | -175.3 | 179.7 | 177.5 | 0 | 113.6 | E29 | E29-K31 PolarHBondContact O-N 3.04Š|
| 32 | V | 70.4 | Confident | 83.5 | Confident | 97 Ų | 97 | 46.4 Ų | 46.4 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -36.1 | -177.2 | -177 | 0 | 0 | 0 | 0 | 110.5 | E29 K150 | E29-V32 PolarHBondContact O-N 3.44Å; E29-V32 VanDerWaalsContact O-N 3.08Å; V32-K150 WeakPolarHBondContact O-CE 3.48Å; V32-K150 PolarHBondContact O-NZ 2.87Å |
| 33 | G | 81.6 | Confident | 83.5 | Confident | 12 Ų | 12 | 46 Ų | 46 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | trans | 64.9 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E29 I151 | E29-G33 PolarHBondContact O-N 3.22Å; G33-I151 CarbonylContact C-O 3.6Å; G33-I151 WeakPolarHBondContact CA-O 3.32Å | ||
| 34 | F | 89.8 | Confident | 83.4 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 110.3 | -178.1 | -67.3 | -100.2 | 0 | 0 | 0 | 109.8 | Y23 P25 T97 P127 K150 I151 Y153 | Y23-F34 HydrophobicContact CD1-CE2 4.38Å; Y23-F34 AromaticContact CD1-CZ 3.74Å; Y23-F34 HydrophobicContact CD1-CZ 3.74Å; Y23-F34 AromaticContact CE1-CZ 3.77Å; Y23-F34 HydrophobicContact CE1-CZ 3.77Å; P25-F34 HydrophobicContact CB-CE2 4.05Å; P25-F34 HydrophobicContact CB-CZ 4.48Å; P25-F34 HydrophobicContact CG-CE2 3.94Å; F34-T97 HydrophobicContact CB-CG2 4.38Å; F34-P127 HydrophobicContact CB-CG 3.83Å; F34-P127 HydrophobicContact CD1-CG 3.84Å; F34-P127 HydrophobicContact CD2-CB 4.23Å; F34-P127 HydrophobicContact CD2-CG 3.64Å; F34-P127 HydrophobicContact CE1-CG 4.28Å; F34-P127 HydrophobicContact CE2-CB 4.41Å; F34-P127 HydrophobicContact CE2-CG 4.09Å; F34-P127 HydrophobicContact CG-CG 3.51Å; F34-P127 HydrophobicContact CZ-CG 4.39Å; F34-K150 CarbonylContact O-C 3.58Å; F34-K150 VanDerWaalsContact O-CA 3.28Å; F34-K150 WeakPolarHBondContact O-CA 3.34Å; F34-I151 PolarHBondContact N-O 3.42Å; F34-I151 PolarHBondContact O-N 3.2Å; F34-Y153 HydrophobicContact CD2-CE2 4.46Å; F34-Y153 HydrophobicContact CE2-CE2 4.49Å |
| 35 | G | 91.2 | Very high | 83.7 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 37% | 0.371 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G149 | G35-G149 VanDerWaalsContact CA-O 3.26Å; G35-G149 WeakPolarHBondContact CA-O 3.3Å |
| 36 | G | 93.9 | Very high | 84.2 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | 179.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V38 G58 G149 | G36-V38 PolarHBondContact O-N 3.12Å; G36-G58 WeakPolarHBondContact CA-O 3.49Å; G36-G149 PolarHBondContact N-O 3.47Å; G36-G149 PolarHBondContact O-N 3.41Å |
| 37 | E | 95 | Very high | 84.9 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 119 | 171.9 | 178.7 | -176.4 | -159.3 | 0 | 0 | 109.1 | V39 G58 Q59 I60 S146 M147 L148 P169 N170 K285 | E37-V39 HydrophobicContact CG-CG1 3.96Å; E37-V39 PolarHBondContact O-N 3.22Å; E37-G58 PolarHBondContact N-O 3.21Å; E37-Q59 HydrophobicContact CB-CG 4.24Å; E37-Q59 CarbonylContact O-C 3.52Å; E37-Q59 WeakPolarHBondContact O-CA 3.29Å; E37-Q59 WeakPolarHBondContact O-CB 3.16Å; E37-Q59 PolarHBondContact OE2-NE2 3.08Å; E37-I60 PolarHBondContact O-N 2.89Å; E37-S146 PolarHBondContact OE1-OG 3.45Å; E37-S146 VanDerWaalsContact OE1-OG 3.09Å; E37-M147 CarbonylContact C-O 3.59Å; E37-L148 HydrophobicContact CB-CD2 4.37Å; E37-P169 HydrophobicContact CB-CG 3.87Å; E37-N170 PolarHBondContact OE2-ND2 3.35Å; E37-K285 WeakPolarHBondContact OE1-CE 3.33Å; E37-K285 IonicContact OE1-NZ 3.77Å; E37-K285 PolarHBondContact OE1-NZ 3.11Å; E37-K285 IonicContact OE2-NZ 2.72Å |
| 38 | V | 96.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 120.4 | 178.4 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | L10 G36 I60 V62 L141 M147 G149 | L10-V38 HydrophobicContact CD2-CG2 3.85Å; G36-V38 PolarHBondContact O-N 3.12Å; V38-I60 WeakPolarHBondContact CA-O 3.48Å; V38-I60 HydrophobicContact CG2-CB 4.19Å; V38-I60 HydrophobicContact CG2-CD1 4.28Å; V38-I60 HydrophobicContact CG2-CG2 4.49Å; V38-V62 HydrophobicContact CG1-CG2 3.62Å; V38-L141 HydrophobicContact CB-CD2 4.29Å; V38-L141 HydrophobicContact CG1-CD1 3.88Å; V38-L141 HydrophobicContact CG1-CD2 4.24Å; V38-M147 PolarHBondContact N-O 3.42Å; V38-G149 VanDerWaalsContact CG2-CA 3.47Å |
| 39 | V | 95.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.6 | -179.2 | -56.9 | 0 | 0 | 0 | 0 | 109 | E37 Y56 Q59 I60 L61 V62 | E37-V39 HydrophobicContact CG-CG1 3.96Å; E37-V39 PolarHBondContact O-N 3.22Å; V39-Y56 HydrophobicContact CG2-CD1 4.19Å; V39-Y56 HydrophobicContact CG2-CE1 4.23Å; V39-Q59 HydrophobicContact CG1-CG 4.35Å; V39-Q59 HydrophobicContact CG2-CB 4Å; V39-I60 PolarHBondContact N-O 2.88Å; V39-L61 HydrophobicContact CG2-CD1 4.14Å; V39-V62 WeakPolarHBondContact O-CB 3.34Å; V39-V62 PolarHBondContact O-N 2.87Å |
| 40 | F | 95 | Very high | 88.9 | Confident | 15 Ų | 15 | 21.2 Ų | 21.2 | 7% | 0.066 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 152.2 | 175.8 | 65.3 | -88.7 | 0 | 0 | 0 | 111.4 | T42 V62 T64 T138 L141 R142 Y288 R291 | F40-T42 HydrophobicContact CD2-CG2 4.22Å; F40-T42 HydrophobicContact CE2-CG2 4.26Å; F40-V62 CarbonylContact C-O 3.56Å; F40-V62 WeakPolarHBondContact CA-O 3.46Å; F40-V62 HydrophobicContact CB-CB 4.02Å; F40-V62 HydrophobicContact CB-CG1 4.48Å; F40-T64 HydrophobicContact CB-CG2 4.21Å; F40-T64 HydrophobicContact CD2-CG2 4.08Å; F40-T138 HydrophobicContact CD1-CG2 4.22Å; F40-T138 HydrophobicContact CD2-CG2 3.8Å; F40-T138 HydrophobicContact CE1-CG2 4.39Å; F40-T138 HydrophobicContact CE2-CG2 3.99Å; F40-T138 HydrophobicContact CG-CG2 3.93Å; F40-T138 HydrophobicContact CZ-CG2 4.3Å; F40-L141 HydrophobicContact CB-CD1 4.36Å; F40-L141 HydrophobicContact CD1-CB 3.75Å; F40-L141 HydrophobicContact CD1-CD1 3.85Å; F40-L141 HydrophobicContact CD1-CG 4.47Å; F40-L141 HydrophobicContact CE1-CB 3.92Å; F40-R142 HydrophobicContact CE1-CG 4.13Å; F40-R142 HydrophobicContact CZ-CG 3.85Å; F40-Y288 HydrophobicContact CE1-CG 4.48Å; F40-Y288 HydrophobicContact CZ-CD2 4.09Å; F40-Y288 HydrophobicContact CZ-CG 4.4Å; F40-R291 WeakPolarHBondContact O-CB 3.43Å; F40-R291 WeakPolarHBondContact O-CD 3.47Å |
| 41 | Q | 93.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.3 | 175.8 | -178.8 | -80.5 | -9.2 | 0 | 0 | 109.5 | G43 L61 V62 L63 T64 R291 H293 | Q41-G43 VanDerWaalsContact OE1-N 3.15Å; Q41-G43 PolarHBondContact OE1-O 3.37Å; Q41-L61 HydrophobicContact CB-CD1 3.83Å; Q41-V62 PolarHBondContact N-O 2.85Å; Q41-L63 HydrophobicContact CB-CD2 4.24Å; Q41-T64 WeakPolarHBondContact O-CG2 3.34Å; Q41-T64 PolarHBondContact O-N 3.2Å; Q41-T64 VanDerWaalsContact O-N 3.12Å; Q41-T64 PolarHBondContact O-OG1 3.42Å; Q41-R291 VanDerWaalsContact CA-O 3.27Å; Q41-R291 WeakPolarHBondContact CA-O 3.07Å; Q41-R291 HydrophobicContact CB-CB 4.32Å; Q41-H293 PolarHBondContact NE2-CD2 2.93Å; Q41-H293 PolarHBondContact NE2-CE1 3.31Å; Q41-H293 PolarHBondContact NE2-NE2 3.08Å |
| 42 | T | 93 | Very high | 92 | Very high | 12 Ų | 12 | 13.4 Ų | 13.4 | 7% | 0.074 | 9% | 0.085 | C | C | . | . | trans | -98.3 | -4.8 | -167.2 | 57.5 | 0 | 0 | 0 | 0 | 116 | F40 T64 R291 G292 S743 V920 | F40-T42 HydrophobicContact CD2-CG2 4.22Å; F40-T42 HydrophobicContact CE2-CG2 4.26Å; T42-T64 WeakPolarHBondContact CA-OG1 3.27Å; T42-T64 HydrophobicContact CG2-CG2 4.23Å; T42-R291 PolarHBondContact N-O 3.49Å; T42-R291 VanDerWaalsContact N-O 3.07Å; T42-R291 PolarHBondContact OG1-O 3.24Å; T42-G292 VanDerWaalsContact OG1-CA 3.3Å; T42-G292 WeakPolarHBondContact OG1-CA 3.44Å; T42-S743 VanDerWaalsContact O-CB 3.25Å; T42-S743 WeakPolarHBondContact O-CB 3.41Å; T42-S743 PolarHBondContact O-OG 3.29Å; T42-V920 WeakPolarHBondContact CB-O 3.42Å; T42-V920 WeakPolarHBondContact CG2-O 3.37Å | ||
| 43 | G | 91.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 8.8 Ų | 8.8 | 5% | 0.052 | 6% | 0.057 | C | C | . | . | trans | -69.6 | 137 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q41 V45 | Q41-G43 VanDerWaalsContact OE1-N 3.15Å; Q41-G43 PolarHBondContact OE1-O 3.37Å; G43-V45 VanDerWaalsContact C-N 3.3Å | ||
| 44 | M | 92.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 9.2 Ų | 9.2 | 8% | 0.084 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -79.3 | -15 | -179.6 | -58.8 | 178.1 | -67.6 | 0 | 0 | 113 | P646 L744 | M44-P646 HydrophobicContact CB-CG 4.36Å; M44-P646 HydrophobicContact CE-CB 4.19Å; M44-P646 HydrophobicContact CG-CG 4.4Å; M44-P646 HydrophobicContact SD-CB 3.56Å; M44-P646 VanDerWaalsContact SD-CB 3.56Å; M44-P646 HydrophobicContact SD-CG 3.73Å; M44-L744 HydrophobicContact SD-CB 3.96Å; M44-L744 HydrophobicContact SD-CG 4.07Å; M44-L744 PolarHBondContact SD-N 3.35Å |
| 45 | V | 93.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 7.2 Ų | 7.2 | 5% | 0.048 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -139 | 171.7 | 177.2 | -67 | 0 | 0 | 0 | 0 | 109.4 | G43 Y71 H293 D652 Y655 | G43-V45 VanDerWaalsContact C-N 3.3Å; V45-Y71 HydrophobicContact CB-CE1 4.37Å; V45-Y71 HydrophobicContact CG1-CE1 4.22Å; V45-H293 PolarHBondContact O-CE1 3.09Å; V45-H293 PolarHBondContact O-ND1 3.08Å; V45-D652 HydrophobicContact CB-CB 4.23Å; V45-D652 HydrophobicContact CG2-CB 4.17Å; V45-D652 WeakPolarHBondContact CG2-OD1 3.32Å; V45-Y655 HydrophobicContact CG1-CD2 4.33Å; V45-Y655 HydrophobicContact CG2-CD1 4.09Å; V45-Y655 HydrophobicContact CG2-CD2 4.08Å; V45-Y655 HydrophobicContact CG2-CG 3.81Å |
| 46 | G | 93.4 | Very high | 94 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.01 | 3% | 0.03 | C | C | . | . | trans | 93.2 | 20.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | T48 E49 A50 Y71 | G46-T48 VanDerWaalsContact C-N 3.28Å; G46-T48 PolarHBondContact O-N 3.29Å; G46-E49 VanDerWaalsContact C-OE2 3.3Å; G46-E49 WeakPolarHBondContact CA-OE2 3.35Å; G46-E49 PolarHBondContact O-N 3.14Å; G46-A50 WeakPolarHBondContact O-CB 3.46Å; G46-A50 PolarHBondContact O-N 2.92Å; G46-Y71 PolarHBondContact N-OH 3.15Å | ||
| 47 | Y | 94.6 | Very high | 94 | Very high | 5 Ų | 5 | 6 Ų | 6 | 2% | 0.02 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.8 | -28.6 | -177.1 | 58.5 | -108.8 | 0 | 0 | 0 | 113.2 | L51 I68 G69 Y71 G72 L117 | Y47-L51 WeakPolarHBondContact O-CB 3.28Å; Y47-L51 VanDerWaalsContact O-CD1 3.3Å; Y47-L51 WeakPolarHBondContact O-CD1 3.19Å; Y47-L51 WeakPolarHBondContact O-CG 3.46Å; Y47-L51 PolarHBondContact O-N 3.19Å; Y47-I68 HydrophobicContact CD1-CG2 3.83Å; Y47-I68 HydrophobicContact CE1-CG2 4.37Å; Y47-I68 HydrophobicContact CG-CG2 4Å; Y47-G69 WeakPolarHBondContact OH-CA 3.49Å; Y47-Y71 AromaticContact CD1-CE1 3.89Å; Y47-Y71 HydrophobicContact CD1-CE1 3.89Å; Y47-Y71 HydrophobicContact CD1-CE2 4.34Å; Y47-Y71 AromaticContact CD1-CZ 3.58Å; Y47-Y71 VanDerWaalsContact CD1-OH 3.24Å; Y47-Y71 WeakPolarHBondContact CD1-OH 3.2Å; Y47-Y71 AromaticContact CE1-CD1 3.86Å; Y47-Y71 HydrophobicContact CE1-CD1 3.86Å; Y47-Y71 HydrophobicContact CE1-CD2 4.2Å; Y47-Y71 AromaticContact CE1-CE1 3.24Å; Y47-Y71 HydrophobicContact CE1-CE1 3.24Å; Y47-Y71 AromaticContact CE1-CE2 3.63Å; Y47-Y71 HydrophobicContact CE1-CE2 3.63Å; Y47-Y71 HydrophobicContact CE1-CG 4.3Å; Y47-Y71 AromaticContact CE1-CZ 3.1Å; Y47-Y71 WeakPolarHBondContact CE1-OH 3.22Å; Y47-Y71 AromaticContact CE2-CE2 3.97Å; Y47-Y71 HydrophobicContact CE2-CE2 3.97Å; Y47-Y71 AromaticContact CZ-CD2 3.78Å; Y47-Y71 AromaticContact CZ-CE1 3.85Å; Y47-Y71 AromaticContact CZ-CE2 3.36Å; Y47-Y71 AromaticContact CZ-CZ 3.4Å; Y47-Y71 VanDerWaalsContact CZ-CZ 3.4Å; Y47-Y71 PolarHBondContact N-OH 2.92Å; Y47-Y71 WeakPolarHBondContact OH-CD2 3.44Å; Y47-Y71 VanDerWaalsContact OH-CE2 3.3Å; Y47-Y71 WeakPolarHBondContact OH-CE2 3.33Å; Y47-Y71 PolarHBondContact OH-N 2.57Å; Y47-G72 PolarHBondContact OH-N 3.09Å; Y47-G72 PolarHBondContact OH-O 3.41Å; Y47-L117 HydrophobicContact CD2-CD1 4.39Å; Y47-L117 HydrophobicContact CD2-CD2 4.37Å; Y47-L117 HydrophobicContact CE2-CD2 4.48Å |
| 48 | T | 94.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 6.1 Ų | 6.1 | 1% | 0.012 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -70.1 | -42.7 | 178.6 | 27.6 | 0 | 0 | 0 | 0 | 112.5 | G46 T52 V73 F87 W120 | G46-T48 VanDerWaalsContact C-N 3.28Å; G46-T48 PolarHBondContact O-N 3.29Å; T48-T52 PolarHBondContact O-N 3.03Å; T48-T52 PolarHBondContact O-OG1 3.19Å; T48-V73 HydrophobicContact CG2-CB 4.22Å; T48-V73 HydrophobicContact CG2-CG1 3.96Å; T48-V73 HydrophobicContact CG2-CG2 3.93Å; T48-F87 HydrophobicContact CG2-CE1 4.41Å; T48-W120 HydrophobicContact CG2-CH2 4.47Å; T48-W120 HydrophobicContact CG2-CZ3 4.36Å |
| 49 | E | 93.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 6.7 Ų | 6.7 | 4% | 0.037 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -70.2 | -48.4 | 178.5 | -63.6 | 80.5 | 176 | 0 | 0 | 109.6 | G46 L51 T52 D53 E88 H357 A358 | G46-E49 VanDerWaalsContact C-OE2 3.3Å; G46-E49 WeakPolarHBondContact CA-OE2 3.35Å; G46-E49 PolarHBondContact O-N 3.14Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 2.73Å; E49-T52 CarbonylContact O-C 3.54Å; E49-T52 PolarHBondContact O-N 3.44Å; E49-T52 VanDerWaalsContact O-N 3.11Å; E49-T52 PolarHBondContact O-OG1 3.31Å; E49-D53 PolarHBondContact O-N 3.46Å; E49-E88 HydrophobicContact CB-CG 4.38Å; E49-H357 HydrophobicContact CG-CB 4.19Å; E49-A358 HydrophobicContact CB-CB 3.42Å; E49-A358 VanDerWaalsContact CB-CB 3.42Å; E49-A358 HydrophobicContact CG-CB 3.82Å |
| 50 | A | 93.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.008 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G46 T52 D53 Y56 L61 | G46-A50 WeakPolarHBondContact O-CB 3.46Å; G46-A50 PolarHBondContact O-N 2.92Å; A50-T52 PolarHBondContact O-N 3Å; A50-D53 WeakPolarHBondContact O-CB 3.41Å; A50-D53 PolarHBondContact O-N 2.96Å; A50-Y56 HydrophobicContact CB-CE2 4Å; A50-Y56 WeakPolarHBondContact O-CD2 3.42Å; A50-L61 HydrophobicContact CB-CD2 4.22Å |
| 51 | L | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -67.3 | -23.8 | 178.5 | -77.3 | 169.3 | 0 | 0 | 0 | 113.5 | Y47 E49 L61 V94 Q95 A96 L99 L117 W120 L121 | Y47-L51 WeakPolarHBondContact O-CB 3.28Å; Y47-L51 VanDerWaalsContact O-CD1 3.3Å; Y47-L51 WeakPolarHBondContact O-CD1 3.19Å; Y47-L51 WeakPolarHBondContact O-CG 3.46Å; Y47-L51 PolarHBondContact O-N 3.19Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 2.73Å; L51-L61 HydrophobicContact CD2-CD2 4.32Å; L51-V94 HydrophobicContact CB-CG1 4.17Å; L51-V94 HydrophobicContact CD2-CG1 4.16Å; L51-V94 CarbonylContact O-C 3.52Å; L51-V94 WeakPolarHBondContact O-CA 2.88Å; L51-V94 WeakPolarHBondContact O-CG1 3.33Å; L51-Q95 PolarHBondContact O-N 3.02Å; L51-A96 HydrophobicContact CD2-CB 3.8Å; L51-L99 HydrophobicContact CD1-CD2 4.21Å; L51-L99 HydrophobicContact CD2-CB 4.48Å; L51-L99 HydrophobicContact CD2-CD1 4.31Å; L51-L117 HydrophobicContact CD1-CD1 3.95Å; L51-W120 HydrophobicContact CB-CH2 3.98Å; L51-W120 HydrophobicContact CB-CZ3 3.97Å; L51-W120 HydrophobicContact CD1-CZ3 3.72Å; L51-L121 HydrophobicContact CD1-CD2 4.21Å |
| 52 | T | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -97.8 | -3.3 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | T48 E49 A50 R54 F87 E88 W89 Q95 W120 | T48-T52 PolarHBondContact O-N 3.03Å; T48-T52 PolarHBondContact O-OG1 3.19Å; E49-T52 CarbonylContact O-C 3.54Å; E49-T52 PolarHBondContact O-N 3.44Å; E49-T52 VanDerWaalsContact O-N 3.11Å; E49-T52 PolarHBondContact O-OG1 3.31Å; A50-T52 PolarHBondContact O-N 3Å; T52-R54 PolarHBondContact O-N 3.35Å; T52-F87 HydrophobicContact CG2-CB 4.16Å; T52-F87 HydrophobicContact CG2-CD1 3.65Å; T52-F87 HydrophobicContact CG2-CE1 4.47Å; T52-F87 HydrophobicContact CG2-CG 4.25Å; T52-E88 PolarHBondContact OG1-N 3.08Å; T52-W89 WeakPolarHBondContact O-CB 3.37Å; T52-Q95 VanDerWaalsContact O-CG 3.3Å; T52-Q95 WeakPolarHBondContact O-CG 3.17Å; T52-W120 HydrophobicContact CG2-CH2 3.81Å; T52-W120 HydrophobicContact CG2-CZ2 3.75Å |
| 53 | D | 93.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | trans | -73.2 | 119.2 | 174.8 | 172.7 | 13.4 | 0 | 0 | 0 | 110.8 | E49 A50 S55 Y56 E88 Q95 K204 N311 | E49-D53 PolarHBondContact O-N 3.46Å; A50-D53 WeakPolarHBondContact O-CB 3.41Å; A50-D53 PolarHBondContact O-N 2.96Å; D53-S55 PolarHBondContact O-N 3.23Å; D53-S55 VanDerWaalsContact OD1-CB 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.27Å; D53-S55 PolarHBondContact OD1-N 2.71Å; D53-S55 PolarHBondContact OD1-OG 2.68Å; D53-Y56 HydrophobicContact CB-CD2 3.89Å; D53-Y56 HydrophobicContact CB-CE2 4.27Å; D53-Y56 PolarHBondContact O-N 3.13Å; D53-Y56 VanDerWaalsContact O-N 3.08Å; D53-E88 HydrophobicContact CB-CB 4.43Å; D53-Q95 WeakPolarHBondContact O-CB 3.41Å; D53-K204 WeakPolarHBondContact OD1-CE 3.32Å; D53-K204 IonicContact OD1-NZ 3.61Å; D53-K204 WeakPolarHBondContact OD2-CE 3.25Å; D53-K204 IonicContact OD2-NZ 2.91Å; D53-K204 PolarHBondContact OD2-NZ 2.89Å; D53-N311 PolarHBondContact OD2-ND2 2.86Å | ||
| 54 | R | 93.1 | Very high | 94.5 | Very high | 22 Ų | 22 | 5 Ų | 5 | 8% | 0.083 | 3% | 0.028 | C | C | . | . | G | 310 helix | trans | -64.1 | -20.7 | -180 | -75.6 | 176.9 | 149.9 | -156.4 | -14 | 114.1 | T52 Y56 S57 W89 Q95 C178 D200 G202 P241 | T52-R54 PolarHBondContact O-N 3.35Å; R54-Y56 PolarHBondContact O-N 3.22Å; R54-S57 VanDerWaalsContact O-CB 3.28Å; R54-S57 WeakPolarHBondContact O-CB 3.32Å; R54-S57 PolarHBondContact O-N 2.91Å; R54-S57 PolarHBondContact O-OG 3Å; R54-W89 HydrophobicContact CG-CD2 4.4Å; R54-W89 HydrophobicContact CG-CG 4.34Å; R54-W89 VanDerWaalsContact NH1-CZ3 3.26Å; R54-Q95 HydrophobicContact CB-CG 4.44Å; R54-Q95 HydrophobicContact CG-CG 3.68Å; R54-C178 PolarHBondContact NH1-O 3.25Å; R54-C178 PolarHBondContact NH2-O 2.94Å; R54-D200 IonicContact NH1-OD1 3.36Å; R54-D200 IonicContact NH1-OD2 2.57Å; R54-D200 PolarHBondContact NH1-OD2 2.8Å; R54-G202 WeakPolarHBondContact CB-O 3.37Å; R54-P241 WeakPolarHBondContact O-CB 3.3Å; R54-P241 VanDerWaalsContact O-CG 3.32Å; R54-P241 WeakPolarHBondContact O-CG 3.49Å |
| 55 | S | 93 | Very high | 94.6 | Very high | 5 Ų | 5 | 4.2 Ų | 4.2 | 4% | 0.035 | 2% | 0.024 | C | C | . | . | G | 310 helix | trans | -60.1 | -22.8 | 172 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | D53 S57 N239 N311 | D53-S55 PolarHBondContact O-N 3.23Å; D53-S55 VanDerWaalsContact OD1-CB 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.27Å; D53-S55 PolarHBondContact OD1-N 2.71Å; D53-S55 PolarHBondContact OD1-OG 2.68Å; S55-S57 VanDerWaalsContact C-N 3.35Å; S55-N239 PolarHBondContact OG-ND2 3.36Å; S55-N311 VanDerWaalsContact CB-ND2 3.33Å; S55-N311 WeakPolarHBondContact CB-ND2 3.34Å |
| 56 | Y | 94 | Very high | 94.3 | Very high | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.008 | 2% | 0.022 | C | C | . | . | G | 310 helix | trans | -87.6 | 4.9 | 174.6 | -67.6 | -70 | 0 | 0 | 0 | 114.4 | V39 A50 D53 R54 G58 Q59 L61 N311 | V39-Y56 HydrophobicContact CG2-CD1 4.19Å; V39-Y56 HydrophobicContact CG2-CE1 4.23Å; A50-Y56 HydrophobicContact CB-CE2 4Å; A50-Y56 WeakPolarHBondContact O-CD2 3.42Å; D53-Y56 HydrophobicContact CB-CD2 3.89Å; D53-Y56 HydrophobicContact CB-CE2 4.27Å; D53-Y56 PolarHBondContact O-N 3.13Å; D53-Y56 VanDerWaalsContact O-N 3.08Å; R54-Y56 PolarHBondContact O-N 3.22Å; Y56-G58 PolarHBondContact O-N 3.37Å; Y56-Q59 WeakPolarHBondContact O-CB 3.27Å; Y56-Q59 PolarHBondContact O-N 2.87Å; Y56-L61 HydrophobicContact CD1-CD1 3.91Å; Y56-L61 HydrophobicContact CE1-CD1 3.5Å; Y56-N311 WeakPolarHBondContact CD2-ND2 3.47Å; Y56-N311 WeakPolarHBondContact CE1-OD1 3.47Å; Y56-N311 WeakPolarHBondContact CE2-ND2 3.36Å; Y56-N311 VanDerWaalsContact CZ-OD1 3.29Å; Y56-N311 PolarHBondContact OH-OD1 3.1Å |
| 57 | S | 94.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 4.2 Ų | 4.2 | 8% | 0.077 | 2% | 0.023 | C | C | . | . | B | Isolated β-bridge | trans | -59.8 | 128.5 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | R54 S55 Q59 C178 | R54-S57 VanDerWaalsContact O-CB 3.28Å; R54-S57 WeakPolarHBondContact O-CB 3.32Å; R54-S57 PolarHBondContact O-N 2.91Å; R54-S57 PolarHBondContact O-OG 3Å; S55-S57 VanDerWaalsContact C-N 3.35Å; S57-Q59 VanDerWaalsContact C-N 3.27Å; S57-Q59 PolarHBondContact O-N 2.94Å; S57-C178 PolarHBondContact OG-SG 3.44Å |
| 58 | G | 93.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 4.1 Ų | 4.1 | 8% | 0.082 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 0.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G36 E37 Y56 T97 P169 | G36-G58 WeakPolarHBondContact CA-O 3.49Å; E37-G58 PolarHBondContact N-O 3.21Å; Y56-G58 PolarHBondContact O-N 3.37Å; G58-T97 VanDerWaalsContact C-OG1 3.3Å; G58-T97 VanDerWaalsContact CA-OG1 3.31Å; G58-T97 WeakPolarHBondContact CA-OG1 3.38Å; G58-P169 WeakPolarHBondContact O-CG 3.45Å |
| 59 | Q | 95.5 | Very high | 94.3 | Very high | 12 Ų | 12 | 4 Ų | 4 | 6% | 0.056 | 2% | 0.022 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 148.7 | 179.3 | -62.1 | 177 | -9.9 | 0 | 0 | 111.8 | E37 V39 Y56 S57 T97 | E37-Q59 HydrophobicContact CB-CG 4.24Å; E37-Q59 CarbonylContact O-C 3.52Å; E37-Q59 WeakPolarHBondContact O-CA 3.29Å; E37-Q59 WeakPolarHBondContact O-CB 3.16Å; E37-Q59 PolarHBondContact OE2-NE2 3.08Å; V39-Q59 HydrophobicContact CG1-CG 4.35Å; V39-Q59 HydrophobicContact CG2-CB 4Å; Y56-Q59 WeakPolarHBondContact O-CB 3.27Å; Y56-Q59 PolarHBondContact O-N 2.87Å; S57-Q59 VanDerWaalsContact C-N 3.27Å; S57-Q59 PolarHBondContact O-N 2.94Å; Q59-T97 WeakPolarHBondContact O-CB 3.38Å; Q59-T97 PolarHBondContact O-N 2.72Å |
| 60 | I | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.022 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 115.9 | 168 | -62.8 | 178.1 | 0 | 0 | 0 | 106.6 | E37 V38 V39 A98 V100 G149 | E37-I60 PolarHBondContact O-N 2.89Å; V38-I60 WeakPolarHBondContact CA-O 3.48Å; V38-I60 HydrophobicContact CG2-CB 4.19Å; V38-I60 HydrophobicContact CG2-CD1 4.28Å; V38-I60 HydrophobicContact CG2-CG2 4.49Å; V39-I60 PolarHBondContact N-O 2.88Å; I60-A98 HydrophobicContact CG1-CB 4.15Å; I60-A98 HydrophobicContact CG2-CB 4.14Å; I60-V100 HydrophobicContact CG2-CG2 3.64Å; I60-G149 VanDerWaalsContact CD1-O 3.3Å; I60-G149 WeakPolarHBondContact CD1-O 3.32Å |
| 61 | L | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 122.9 | -173.4 | -174.3 | 59 | 0 | 0 | 0 | 110.9 | V39 Q41 A50 L51 Y56 L63 A96 A98 L99 V100 | V39-L61 HydrophobicContact CG2-CD1 4.14Å; Q41-L61 HydrophobicContact CB-CD1 3.83Å; A50-L61 HydrophobicContact CB-CD2 4.22Å; L51-L61 HydrophobicContact CD2-CD2 4.32Å; Y56-L61 HydrophobicContact CD1-CD1 3.91Å; Y56-L61 HydrophobicContact CE1-CD1 3.5Å; L61-L63 HydrophobicContact CD1-CD2 4.48Å; L61-L63 HydrophobicContact CD2-CD2 3.96Å; L61-L63 HydrophobicContact CG-CD2 3.98Å; L61-A96 HydrophobicContact CB-CB 4.37Å; L61-A98 PolarHBondContact N-O 3.39Å; L61-L99 CarbonylContact O-C 3.43Å; L61-L99 WeakPolarHBondContact O-CA 3.35Å; L61-V100 PolarHBondContact O-N 3.11Å |
| 62 | V | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.1 | 171.3 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | V38 V39 F40 Q41 V100 T134 L137 L141 | V38-V62 HydrophobicContact CG1-CG2 3.62Å; V39-V62 WeakPolarHBondContact O-CB 3.34Å; V39-V62 PolarHBondContact O-N 2.87Å; F40-V62 CarbonylContact C-O 3.56Å; F40-V62 WeakPolarHBondContact CA-O 3.46Å; F40-V62 HydrophobicContact CB-CB 4.02Å; F40-V62 HydrophobicContact CB-CG1 4.48Å; Q41-V62 PolarHBondContact N-O 2.85Å; V62-V100 WeakPolarHBondContact CA-O 3.36Å; V62-V100 HydrophobicContact CB-CB 4.32Å; V62-V100 HydrophobicContact CG1-CB 4.35Å; V62-V100 HydrophobicContact CG1-CG1 4.24Å; V62-V100 HydrophobicContact CG2-CB 3.94Å; V62-V100 HydrophobicContact CG2-CG1 4.28Å; V62-V100 HydrophobicContact CG2-CG2 4.22Å; V62-T134 HydrophobicContact CG1-CG2 4.2Å; V62-L137 HydrophobicContact CB-CD2 4.44Å; V62-L137 HydrophobicContact CG1-CD2 3.93Å; V62-L137 HydrophobicContact CG1-CG 4.47Å; V62-L137 HydrophobicContact CG2-CD2 3.6Å; V62-L137 HydrophobicContact CG2-CG 4.31Å; V62-L141 HydrophobicContact CG2-CD1 4.42Å |
| 63 | L | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 4.1 Ų | 4.1 | 1% | 0.01 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 126 | 171.8 | -58.3 | 178.9 | 0 | 0 | 0 | 108.5 | Q41 L61 I68 L99 V100 V101 | Q41-L63 HydrophobicContact CB-CD2 4.24Å; L61-L63 HydrophobicContact CD1-CD2 4.48Å; L61-L63 HydrophobicContact CD2-CD2 3.96Å; L61-L63 HydrophobicContact CG-CD2 3.98Å; L63-I68 HydrophobicContact CB-CD1 3.99Å; L63-I68 HydrophobicContact CB-CG1 4.06Å; L63-I68 HydrophobicContact CD1-CB 4.46Å; L63-I68 HydrophobicContact CD1-CD1 3.75Å; L63-I68 HydrophobicContact CD1-CG1 3.87Å; L63-I68 HydrophobicContact CD1-CG2 3.75Å; L63-L99 HydrophobicContact CD1-CD1 3.81Å; L63-L99 HydrophobicContact CG-CD1 3.88Å; L63-V100 PolarHBondContact N-O 2.81Å; L63-V101 HydrophobicContact CB-CG1 4.39Å; L63-V101 HydrophobicContact CD1-CG1 4.37Å |
| 64 | T | 95 | Very high | 94.3 | Very high | 1 Ų | 1 | 4.9 Ų | 4.9 | 1% | 0.006 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -73.2 | -38.4 | -173.7 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | F40 Q41 T42 T134 T138 D745 A921 | F40-T64 HydrophobicContact CB-CG2 4.21Å; F40-T64 HydrophobicContact CD2-CG2 4.08Å; Q41-T64 WeakPolarHBondContact O-CG2 3.34Å; Q41-T64 PolarHBondContact O-N 3.2Å; Q41-T64 VanDerWaalsContact O-N 3.12Å; Q41-T64 PolarHBondContact O-OG1 3.42Å; T42-T64 WeakPolarHBondContact CA-OG1 3.27Å; T42-T64 HydrophobicContact CG2-CG2 4.23Å; T64-T134 PolarHBondContact O-OG1 3.18Å; T64-T134 VanDerWaalsContact O-OG1 3.08Å; T64-T138 HydrophobicContact CG2-CG2 4.22Å; T64-D745 WeakPolarHBondContact O-CB 3.23Å; T64-A921 WeakPolarHBondContact CB-O 3.18Å; T64-A921 VanDerWaalsContact CG2-O 3.29Å; T64-A921 WeakPolarHBondContact CG2-O 3.39Å; T64-A921 WeakPolarHBondContact OG1-CB 3.29Å |
| 65 | Y | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 4.8 Ų | 4.8 | 0% | 0.004 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -60.5 | 125.3 | 175 | -173 | -117.1 | 0 | 0 | 0 | 110.2 | L67 I68 P646 Q648 L744 | Y65-L67 VanDerWaalsContact C-N 3.33Å; Y65-L67 HydrophobicContact CD1-CB 4.37Å; Y65-L67 WeakPolarHBondContact CD1-O 3.48Å; Y65-L67 HydrophobicContact CE1-CB 3.68Å; Y65-L67 WeakPolarHBondContact CE1-O 3.23Å; Y65-L67 PolarHBondContact O-N 3.19Å; Y65-I68 HydrophobicContact CD1-CD1 4.23Å; Y65-I68 WeakPolarHBondContact O-CG1 3.29Å; Y65-P646 HydrophobicContact CD2-CG 4.22Å; Y65-P646 HydrophobicContact CE1-CG 4.45Å; Y65-P646 HydrophobicContact CE2-CG 3.56Å; Y65-Q648 PolarHBondContact OH-NE2 2.9Å; Y65-Q648 PolarHBondContact OH-OE1 3.38Å; Y65-L744 VanDerWaalsContact CD2-O 3.27Å; Y65-L744 WeakPolarHBondContact CD2-O 3.32Å |
| 66 | P | 88.1 | Confident | 94 | Very high | 3 Ų | 3 | 6.9 Ų | 6.9 | 2% | 0.019 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -72.5 | -22 | -167.7 | 25.1 | -35.8 | 0 | 0 | 0 | 114 | G102 E103 D745 R781 | P66-G102 CarbonylContact O-C 3.46Å; P66-E103 WeakPolarHBondContact O-CA 3.34Å; P66-E103 PolarHBondContact O-N 2.86Å; P66-E103 VanDerWaalsContact O-O 3.1Å; P66-D745 WeakPolarHBondContact CD-O 3.46Å; P66-D745 WeakPolarHBondContact CG-O 3.49Å; P66-R781 WeakPolarHBondContact CB-O 3.33Å; P66-R781 WeakPolarHBondContact CG-O 3.32Å |
| 67 | L | 91.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 11.2 Ų | 11.2 | 3% | 0.026 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 107.4 | -175.8 | -69.5 | 163.7 | 0 | 0 | 0 | 110.8 | Y65 E103 C747 N782 F783 W850 | Y65-L67 VanDerWaalsContact C-N 3.33Å; Y65-L67 HydrophobicContact CD1-CB 4.37Å; Y65-L67 WeakPolarHBondContact CD1-O 3.48Å; Y65-L67 HydrophobicContact CE1-CB 3.68Å; Y65-L67 WeakPolarHBondContact CE1-O 3.23Å; Y65-L67 PolarHBondContact O-N 3.19Å; L67-E103 HydrophobicContact CD2-CB 4.11Å; L67-E103 HydrophobicContact CD2-CG 4.19Å; L67-E103 WeakPolarHBondContact CD2-OE2 3.5Å; L67-C747 HydrophobicContact CD1-CB 4.43Å; L67-N782 HydrophobicContact CD2-CB 4.33Å; L67-F783 HydrophobicContact CD1-CB 4.42Å; L67-W850 HydrophobicContact CD1-CH2 4.43Å; L67-W850 HydrophobicContact CD1-CZ2 4.43Å |
| 68 | I | 95 | Very high | 93.5 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.015 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.3 | -174.4 | -60.6 | -62.1 | 0 | 0 | 0 | 111.7 | Y47 L63 Y65 V101 E103 V104 A105 L117 | Y47-I68 HydrophobicContact CD1-CG2 3.83Å; Y47-I68 HydrophobicContact CE1-CG2 4.37Å; Y47-I68 HydrophobicContact CG-CG2 4Å; L63-I68 HydrophobicContact CB-CD1 3.99Å; L63-I68 HydrophobicContact CB-CG1 4.06Å; L63-I68 HydrophobicContact CD1-CB 4.46Å; L63-I68 HydrophobicContact CD1-CD1 3.75Å; L63-I68 HydrophobicContact CD1-CG1 3.87Å; L63-I68 HydrophobicContact CD1-CG2 3.75Å; Y65-I68 HydrophobicContact CD1-CD1 4.23Å; Y65-I68 WeakPolarHBondContact O-CG1 3.29Å; I68-V101 HydrophobicContact CB-CB 4.36Å; I68-V101 HydrophobicContact CB-CG1 3.86Å; I68-V101 HydrophobicContact CG1-CB 4.2Å; I68-V101 HydrophobicContact CG1-CG1 3.74Å; I68-V101 HydrophobicContact CG2-CG1 4.1Å; I68-E103 PolarHBondContact N-O 2.9Å; I68-V104 CarbonylContact O-C 3.57Å; I68-V104 WeakPolarHBondContact O-CA 3.42Å; I68-A105 PolarHBondContact O-N 2.84Å; I68-L117 HydrophobicContact CG2-CD2 3.58Å |
| 69 | G | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | 98.8 | -0.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y47 Y71 G72 A108 | Y47-G69 WeakPolarHBondContact OH-CA 3.49Å; G69-Y71 VanDerWaalsContact C-N 3.34Å; G69-Y71 PolarHBondContact O-N 2.76Å; G69-G72 PolarHBondContact O-N 3.33Å; G69-A108 WeakPolarHBondContact O-CB 3.38Å | ||
| 70 | N | 93.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -34.6 | -177.6 | 48.3 | -32.1 | 0 | 0 | 0 | 115.6 | Q648 | N70-Q648 VanDerWaalsContact CB-O 3.3Å; N70-Q648 WeakPolarHBondContact CB-O 3.35Å; N70-Q648 PolarHBondContact ND2-O 2.98Å |
| 71 | Y | 94.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 3% | 0.027 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 7.2 | 176.3 | 57.2 | -100.3 | 0 | 0 | 0 | 113.9 | V45 G46 Y47 G69 H110 L650 | V45-Y71 HydrophobicContact CB-CE1 4.37Å; V45-Y71 HydrophobicContact CG1-CE1 4.22Å; G46-Y71 PolarHBondContact N-OH 3.15Å; Y47-Y71 AromaticContact CD1-CE1 3.89Å; Y47-Y71 HydrophobicContact CD1-CE1 3.89Å; Y47-Y71 HydrophobicContact CD1-CE2 4.34Å; Y47-Y71 AromaticContact CD1-CZ 3.58Å; Y47-Y71 VanDerWaalsContact CD1-OH 3.24Å; Y47-Y71 WeakPolarHBondContact CD1-OH 3.2Å; Y47-Y71 AromaticContact CE1-CD1 3.86Å; Y47-Y71 HydrophobicContact CE1-CD1 3.86Å; Y47-Y71 HydrophobicContact CE1-CD2 4.2Å; Y47-Y71 AromaticContact CE1-CE1 3.24Å; Y47-Y71 HydrophobicContact CE1-CE1 3.24Å; Y47-Y71 AromaticContact CE1-CE2 3.63Å; Y47-Y71 HydrophobicContact CE1-CE2 3.63Å; Y47-Y71 HydrophobicContact CE1-CG 4.3Å; Y47-Y71 AromaticContact CE1-CZ 3.1Å; Y47-Y71 WeakPolarHBondContact CE1-OH 3.22Å; Y47-Y71 AromaticContact CE2-CE2 3.97Å; Y47-Y71 HydrophobicContact CE2-CE2 3.97Å; Y47-Y71 AromaticContact CZ-CD2 3.78Å; Y47-Y71 AromaticContact CZ-CE1 3.85Å; Y47-Y71 AromaticContact CZ-CE2 3.36Å; Y47-Y71 AromaticContact CZ-CZ 3.4Å; Y47-Y71 VanDerWaalsContact CZ-CZ 3.4Å; Y47-Y71 PolarHBondContact N-OH 2.92Å; Y47-Y71 WeakPolarHBondContact OH-CD2 3.44Å; Y47-Y71 VanDerWaalsContact OH-CE2 3.3Å; Y47-Y71 WeakPolarHBondContact OH-CE2 3.33Å; Y47-Y71 PolarHBondContact OH-N 2.57Å; G69-Y71 VanDerWaalsContact C-N 3.34Å; G69-Y71 PolarHBondContact O-N 2.76Å; Y71-H110 VanDerWaalsContact O-CB 3.23Å; Y71-H110 WeakPolarHBondContact O-CB 3.4Å; Y71-L650 WeakPolarHBondContact CD1-O 3.46Å |
| 72 | G | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | 70 | -168.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y47 G69 A108 | Y47-G72 PolarHBondContact OH-N 3.09Å; Y47-G72 PolarHBondContact OH-O 3.41Å; G69-G72 PolarHBondContact O-N 3.33Å; G72-A108 VanDerWaalsContact CA-CB 3.48Å; G72-A108 VanDerWaalsContact N-CB 3.27Å | ||
| 73 | V | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.8 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | T48 F87 W114 K115 L117 W120 | T48-V73 HydrophobicContact CG2-CB 4.22Å; T48-V73 HydrophobicContact CG2-CG1 3.96Å; T48-V73 HydrophobicContact CG2-CG2 3.93Å; V73-F87 HydrophobicContact CG1-CE1 4.04Å; V73-F87 HydrophobicContact CG1-CZ 3.86Å; V73-W114 WeakPolarHBondContact O-CB 3.28Å; V73-W114 PolarHBondContact O-N 3.29Å; V73-K115 PolarHBondContact N-O 3.2Å; V73-K115 PolarHBondContact O-N 3.38Å; V73-K115 VanDerWaalsContact O-N 3.13Å; V73-L117 HydrophobicContact CG2-CB 4.44Å; V73-L117 HydrophobicContact CG2-CD1 4.42Å; V73-W120 HydrophobicContact CB-CB 4.32Å; V73-W120 HydrophobicContact CB-CD2 4.4Å; V73-W120 HydrophobicContact CB-CG 4.28Å; V73-W120 HydrophobicContact CG1-CB 4.34Å; V73-W120 HydrophobicContact CG1-CD2 3.72Å; V73-W120 HydrophobicContact CG1-CE3 4.2Å; V73-W120 HydrophobicContact CG1-CG 3.78Å; V73-W120 HydrophobicContact CG1-CZ2 4.4Å; V73-W120 HydrophobicContact CG2-CB 3.91Å; V73-W120 HydrophobicContact CG2-CD2 3.93Å; V73-W120 HydrophobicContact CG2-CE3 3.75Å; V73-W120 HydrophobicContact CG2-CG 4.04Å; V73-W120 HydrophobicContact CG2-CZ3 4.45Å |
| 74 | P | 94.1 | Very high | 91.3 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 10% | 0.104 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 165 | 178.9 | 31.4 | -34.5 | 0 | 0 | 0 | 112.5 | H86 F87 R112 | P74-H86 HydrophobicContact CB-CB 4.3Å; P74-H86 HydrophobicContact CG-CB 3.51Å; P74-F87 HydrophobicContact CG-CZ 4.25Å; P74-F87 WeakPolarHBondContact O-CZ 3.44Å; P74-R112 WeakPolarHBondContact CA-O 3.17Å; P74-R112 HydrophobicContact CB-CB 4.37Å |
| 75 | A | 91.2 | Very high | 90.9 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | trans | -67.4 | 149.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | D77 W114 | A75-D77 PolarHBondContact O-N 3.42Å; A75-W114 HydrophobicContact CB-CB 3.91Å; A75-W114 HydrophobicContact CB-CD2 4.41Å; A75-W114 HydrophobicContact CB-CG 3.96Å | ||
| 76 | P | 88.3 | Confident | 90.5 | Very high | 48 Ų | 48 | 33.8 Ų | 33.8 | 31% | 0.312 | 18% | 0.182 | S | C | . | . | trans | -77 | 52.3 | 173.8 | 35.2 | -36.7 | 0 | 0 | 0 | 111.2 | F87 | P76-F87 HydrophobicContact CB-CD2 4.13Å; P76-F87 HydrophobicContact CB-CE2 3.82Å | ||
| 77 | D | 88.3 | Confident | 90.7 | Very high | 94 Ų | 94 | 33.7 Ų | 33.7 | 50% | 0.503 | 18% | 0.182 | S | C | . | . | trans | -61.3 | 144.8 | 175.1 | -62.9 | -29.7 | 0 | 0 | 0 | 109.5 | A75 P84 L85 | A75-D77 PolarHBondContact O-N 3.42Å; D77-P84 CarbonylContact O-C 3.52Å; D77-P84 WeakPolarHBondContact O-CA 3.21Å; D77-L85 WeakPolarHBondContact O-CB 3.46Å; D77-L85 PolarHBondContact O-N 2.97Å | ||
| 78 | E | 89.1 | Confident | 90.8 | Very high | 140 Ų | 140 | 33.4 Ų | 33.4 | 65% | 0.654 | 18% | 0.18 | S | C | * | . | B | Isolated β-bridge | trans | -96.6 | 143.6 | -179.1 | -68 | 177.1 | 179.2 | 0 | 0 | 111.1 | L83 | E78-L83 CarbonylContact C-O 3.55Å; E78-L83 VanDerWaalsContact CA-O 3.3Å; E78-L83 WeakPolarHBondContact CA-O 3.45Å |
| 79 | D | 88.5 | Confident | 90.7 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 17% | 0.171 | 19% | 0.185 | C | C | . | . | trans | -78.7 | -178.1 | 170.4 | 68.2 | 19.9 | 0 | 0 | 0 | 112 | H81 G82 L83 L85 R209 | D79-H81 PolarHBondContact O-N 3.15Å; D79-H81 WeakPolarHBondContact OD1-CA 3.31Å; D79-H81 WeakPolarHBondContact OD1-CB 3.45Å; D79-H81 PolarHBondContact OD1-N 2.85Å; D79-G82 PolarHBondContact O-N 2.77Å; D79-G82 PolarHBondContact OD1-N 2.82Å; D79-L83 VanDerWaalsContact CG-O 3.31Å; D79-L83 PolarHBondContact N-O 3.39Å; D79-L83 PolarHBondContact OD1-N 2.82Å; D79-L85 HydrophobicContact CB-CD1 4.2Å; D79-R209 WeakPolarHBondContact OD2-CD 2.97Å; D79-R209 IonicContact OD2-NE 3.54Å; D79-R209 PolarHBondContact OD2-NE 2.98Å | ||
| 80 | E | 86.6 | Confident | 90.5 | Very high | 167 Ų | 167 | 37 Ų | 37 | 78% | 0.78 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -11.8 | 179.7 | 61.5 | 178.4 | -159.6 | 0 | 0 | 114.7 | ||
| 81 | H | 86.9 | Confident | 90 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 26% | 0.255 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 2.8 | 176.6 | -54.6 | -42.8 | 0 | 0 | 0 | 112.7 | D79 L83 L212 | D79-H81 PolarHBondContact O-N 3.15Å; D79-H81 WeakPolarHBondContact OD1-CA 3.31Å; D79-H81 WeakPolarHBondContact OD1-CB 3.45Å; D79-H81 PolarHBondContact OD1-N 2.85Å; H81-L83 VanDerWaalsContact C-N 3.32Å; H81-L83 HydrophobicContact CB-CD1 4.28Å; H81-L83 HydrophobicContact CB-CG 4.2Å; H81-L212 HydrophobicContact CB-CD1 3.86Å; H81-L212 WeakPolarHBondContact NE2-CB 3.26Å |
| 82 | G | 87.3 | Confident | 89.5 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 74.6 | 20.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D79 | D79-G82 PolarHBondContact O-N 2.77Å; D79-G82 PolarHBondContact OD1-N 2.82Å |
| 83 | L | 89.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -100 | 141.2 | 177.6 | -55.9 | 175.3 | 0 | 0 | 0 | 109.6 | E78 D79 H81 L85 M90 Y186 L205 L208 R209 L212 | E78-L83 CarbonylContact C-O 3.55Å; E78-L83 VanDerWaalsContact CA-O 3.3Å; E78-L83 WeakPolarHBondContact CA-O 3.45Å; D79-L83 VanDerWaalsContact CG-O 3.31Å; D79-L83 PolarHBondContact N-O 3.39Å; D79-L83 PolarHBondContact OD1-N 2.82Å; H81-L83 VanDerWaalsContact C-N 3.32Å; H81-L83 HydrophobicContact CB-CD1 4.28Å; H81-L83 HydrophobicContact CB-CG 4.2Å; L83-L85 PolarHBondContact O-N 2.84Å; L83-M90 HydrophobicContact CD2-CE 3.85Å; L83-Y186 HydrophobicContact CD2-CD1 4.28Å; L83-Y186 HydrophobicContact CD2-CE1 3.72Å; L83-L205 HydrophobicContact CD2-CD2 4.35Å; L83-L208 HydrophobicContact CD1-CB 4.4Å; L83-L208 HydrophobicContact CD1-CD2 3.66Å; L83-L208 HydrophobicContact CD1-CG 3.89Å; L83-L208 HydrophobicContact CD2-CD2 3.9Å; L83-L208 HydrophobicContact CG-CD2 4.42Å; L83-R209 HydrophobicContact CD1-CG 3.95Å; L83-L212 HydrophobicContact CD1-CD1 4.17Å |
| 84 | P | 89.8 | Confident | 89.3 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -55.6 | 130.5 | 175 | -23.6 | 31.7 | 0 | 0 | 0 | 111.3 | D77 F87 L205 R209 | D77-P84 CarbonylContact O-C 3.52Å; D77-P84 WeakPolarHBondContact O-CA 3.21Å; P84-F87 HydrophobicContact CB-CB 4.3Å; P84-F87 HydrophobicContact CB-CD2 4.21Å; P84-L205 HydrophobicContact CG-CD1 4.38Å; P84-R209 PolarHBondContact O-NH2 2.75Å |
| 85 | L | 86.3 | Confident | 89.3 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -37.8 | -169.4 | -178 | 61.4 | 0 | 0 | 0 | 113.5 | D77 D79 L83 H357 | D77-L85 WeakPolarHBondContact O-CB 3.46Å; D77-L85 PolarHBondContact O-N 2.97Å; D79-L85 HydrophobicContact CB-CD1 4.2Å; L83-L85 PolarHBondContact O-N 2.84Å; L85-H357 PolarHBondContact O-NE2 2.97Å |
| 86 | H | 87.7 | Confident | 89.5 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.06 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 7.1 | -167.8 | -59 | -55.1 | 0 | 0 | 0 | 114.7 | P74 R112 | P74-H86 HydrophobicContact CB-CB 4.3Å; P74-H86 HydrophobicContact CG-CB 3.51Å; H86-R112 PolarHBondContact CE1-NH1 2.7Å; H86-R112 VanDerWaalsContact CE1-NH1 3.34Å |
| 87 | F | 92.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | trans | -127.4 | 149.1 | -173.2 | -60.5 | -68.2 | 0 | 0 | 0 | 110.9 | T48 T52 V73 P74 P76 P84 W89 W120 R209 | T48-F87 HydrophobicContact CG2-CE1 4.41Å; T52-F87 HydrophobicContact CG2-CB 4.16Å; T52-F87 HydrophobicContact CG2-CD1 3.65Å; T52-F87 HydrophobicContact CG2-CE1 4.47Å; T52-F87 HydrophobicContact CG2-CG 4.25Å; V73-F87 HydrophobicContact CG1-CE1 4.04Å; V73-F87 HydrophobicContact CG1-CZ 3.86Å; P74-F87 HydrophobicContact CG-CZ 4.25Å; P74-F87 WeakPolarHBondContact O-CZ 3.44Å; P76-F87 HydrophobicContact CB-CD2 4.13Å; P76-F87 HydrophobicContact CB-CE2 3.82Å; P84-F87 HydrophobicContact CB-CB 4.3Å; P84-F87 HydrophobicContact CB-CD2 4.21Å; F87-W89 VanDerWaalsContact C-N 3.26Å; F87-W89 PolarHBondContact O-N 2.74Å; F87-W120 HydrophobicContact CD1-CZ2 4.09Å; F87-W120 HydrophobicContact CE1-CH2 4.17Å; F87-W120 AromaticContact CE1-CZ2 3.59Å; F87-W120 HydrophobicContact CE1-CZ2 3.59Å; F87-W120 HydrophobicContact CZ-CZ2 4.4Å; F87-R209 PolarHBondContact O-NH2 3.19Å | ||
| 88 | E | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -84.6 | -2.4 | 177.5 | -71.5 | -71.8 | -160.6 | 0 | 0 | 113.1 | E49 T52 D53 K204 L205 N206 H357 | E49-E88 HydrophobicContact CB-CG 4.38Å; T52-E88 PolarHBondContact OG1-N 3.08Å; D53-E88 HydrophobicContact CB-CB 4.43Å; E88-K204 HydrophobicContact CB-CG 4.34Å; E88-K204 HydrophobicContact CG-CG 4.35Å; E88-K204 WeakPolarHBondContact OE2-CB 3.32Å; E88-L205 WeakPolarHBondContact O-CG 3.37Å; E88-L205 PolarHBondContact O-N 2.85Å; E88-L205 PolarHBondContact OE2-N 3.4Å; E88-N206 PolarHBondContact OE2-N 2.78Å; E88-N206 VanDerWaalsContact OE2-N 3.08Å; E88-H357 HydrophobicContact CG-CB 4.33Å; E88-H357 WeakPolarHBondContact OE1-CB 3.35Å; E88-H357 PolarHBondContact OE1-N 3.28Å |
| 89 | W | 93.5 | Very high | 90.6 | Very high | 29 Ų | 29 | 36 Ų | 36 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -146.9 | 160.4 | 174.2 | -165.4 | -112.5 | 0 | 0 | 0 | 114.3 | T52 R54 F87 G92 V180 L205 | T52-W89 WeakPolarHBondContact O-CB 3.37Å; R54-W89 HydrophobicContact CG-CD2 4.4Å; R54-W89 HydrophobicContact CG-CG 4.34Å; R54-W89 VanDerWaalsContact NH1-CZ3 3.26Å; F87-W89 VanDerWaalsContact C-N 3.26Å; F87-W89 PolarHBondContact O-N 2.74Å; W89-G92 PolarHBondContact O-N 2.97Å; W89-V180 HydrophobicContact CH2-CG1 4.11Å; W89-L205 HydrophobicContact CE3-CD2 4.13Å; W89-L205 HydrophobicContact CE3-CG 4.1Å; W89-L205 HydrophobicContact CZ3-CD2 4.04Å |
| 90 | M | 89.9 | Confident | 91 | Very high | 49 Ų | 49 | 34.5 Ų | 34.5 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -51.2 | 136.9 | -175.6 | -64.5 | -63.4 | -173.6 | 0 | 0 | 112.6 | L83 G92 V93 Y186 L205 | L83-M90 HydrophobicContact CD2-CE 3.85Å; M90-G92 PolarHBondContact O-N 2.87Å; M90-G92 VanDerWaalsContact O-N 3.08Å; M90-V93 WeakPolarHBondContact O-CG2 3.37Å; M90-V93 PolarHBondContact O-N 3.02Å; M90-Y186 VanDerWaalsContact CE-OH 3.27Å; M90-Y186 WeakPolarHBondContact CE-OH 3.43Å; M90-L205 HydrophobicContact CE-CD2 3.99Å; M90-L205 HydrophobicContact CG-CD1 4.45Å; M90-L205 HydrophobicContact SD-CD1 4.08Å |
| 91 | K | 83 | Confident | 91.5 | Very high | 170 Ų | 170 | 26.6 Ų | 26.6 | 74% | 0.739 | 14% | 0.139 | S | C | * | . | G | 310 helix | trans | 57.4 | 14.4 | 179.3 | -55.1 | 179.6 | 179.2 | 179.7 | 0 | 115.2 | V93 | K91-V93 VanDerWaalsContact C-N 3.27Å; K91-V93 HydrophobicContact CB-CG2 4.23Å; K91-V93 PolarHBondContact O-N 3.42Å |
| 92 | G | 83.8 | Confident | 91.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | 64.7 | 30.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W89 M90 V94 W120 H124 | W89-G92 PolarHBondContact O-N 2.97Å; M90-G92 PolarHBondContact O-N 2.87Å; M90-G92 VanDerWaalsContact O-N 3.08Å; G92-V94 PolarHBondContact O-N 3.08Å; G92-W120 VanDerWaalsContact O-CZ2 3.22Å; G92-W120 WeakPolarHBondContact O-CZ2 3.25Å; G92-W120 PolarHBondContact O-NE1 2.97Å; G92-H124 PolarHBondContact O-CE1 2.7Å |
| 93 | V | 91.8 | Very high | 92.2 | Very high | 55 Ų | 55 | 24.1 Ų | 24.1 | 33% | 0.333 | 12% | 0.122 | S | C | . | . | trans | -69.8 | 119.4 | 179.4 | 176.6 | 0 | 0 | 0 | 0 | 110 | M90 K91 Q95 | M90-V93 WeakPolarHBondContact O-CG2 3.37Å; M90-V93 PolarHBondContact O-N 3.02Å; K91-V93 VanDerWaalsContact C-N 3.27Å; K91-V93 HydrophobicContact CB-CG2 4.23Å; K91-V93 PolarHBondContact O-N 3.42Å; V93-Q95 PolarHBondContact O-N 3.37Å; V93-Q95 PolarHBondContact O-NE2 3.13Å | ||
| 94 | V | 94.5 | Very high | 92.4 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 7% | 0.073 | 12% | 0.123 | C | C | . | . | trans | -61.3 | 130 | 174 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | L51 G92 W120 L121 H124 V126 | L51-V94 HydrophobicContact CB-CG1 4.17Å; L51-V94 HydrophobicContact CD2-CG1 4.16Å; L51-V94 CarbonylContact O-C 3.52Å; L51-V94 WeakPolarHBondContact O-CA 2.88Å; L51-V94 WeakPolarHBondContact O-CG1 3.33Å; G92-V94 PolarHBondContact O-N 3.08Å; V94-W120 HydrophobicContact CG2-CD2 4.17Å; V94-W120 HydrophobicContact CG2-CE3 4.06Å; V94-W120 HydrophobicContact CG2-CH2 3.61Å; V94-W120 HydrophobicContact CG2-CZ2 3.67Å; V94-W120 HydrophobicContact CG2-CZ3 3.8Å; V94-L121 HydrophobicContact CG1-CD2 4.3Å; V94-L121 HydrophobicContact CG2-CD2 4.12Å; V94-H124 HydrophobicContact CB-CB 4.16Å; V94-H124 HydrophobicContact CG2-CB 4.06Å; V94-V126 HydrophobicContact CB-CG2 3.9Å; V94-V126 HydrophobicContact CG1-CB 4.28Å; V94-V126 HydrophobicContact CG1-CG1 4.14Å; V94-V126 HydrophobicContact CG1-CG2 3.73Å | ||
| 95 | Q | 94.5 | Very high | 92.5 | Very high | 36 Ų | 36 | 24.4 Ų | 24.4 | 17% | 0.168 | 12% | 0.124 | C | C | . | . | trans | -102 | -31.1 | -178.2 | -59.2 | -58.3 | -54.5 | 0 | 0 | 112.8 | L51 T52 D53 R54 V93 | L51-Q95 PolarHBondContact O-N 3.02Å; T52-Q95 VanDerWaalsContact O-CG 3.3Å; T52-Q95 WeakPolarHBondContact O-CG 3.17Å; D53-Q95 WeakPolarHBondContact O-CB 3.41Å; R54-Q95 HydrophobicContact CB-CG 4.44Å; R54-Q95 HydrophobicContact CG-CG 3.68Å; V93-Q95 PolarHBondContact O-N 3.37Å; V93-Q95 PolarHBondContact O-NE2 3.13Å | ||
| 96 | A | 94.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -61.7 | 140.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | L51 L61 | L51-A96 HydrophobicContact CD2-CB 3.8Å; L61-A96 HydrophobicContact CB-CB 4.37Å |
| 97 | T | 95 | Very high | 92.5 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 22% | 0.215 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -68.1 | -37.2 | -178.9 | -60.1 | 0 | 0 | 0 | 0 | 112 | F34 G58 Q59 P127 | F34-T97 HydrophobicContact CB-CG2 4.38Å; G58-T97 VanDerWaalsContact C-OG1 3.3Å; G58-T97 VanDerWaalsContact CA-OG1 3.31Å; G58-T97 WeakPolarHBondContact CA-OG1 3.38Å; Q59-T97 WeakPolarHBondContact O-CB 3.38Å; Q59-T97 PolarHBondContact O-N 2.72Å; T97-P127 WeakPolarHBondContact O-CD 3.49Å |
| 98 | A | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 162.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I60 L61 P127 I151 | I60-A98 HydrophobicContact CG1-CB 4.15Å; I60-A98 HydrophobicContact CG2-CB 4.14Å; L61-A98 PolarHBondContact N-O 3.39Å; A98-P127 WeakPolarHBondContact CA-O 3.33Å; A98-P127 HydrophobicContact CB-CG 3.86Å; A98-I151 HydrophobicContact CB-CD1 3.62Å; A98-I151 HydrophobicContact CB-CG1 4.41Å |
| 99 | L | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.4 | 178.6 | 179.5 | 65 | 0 | 0 | 0 | 111.7 | F21 L51 L61 L63 V101 L117 L121 P127 G128 I129 | F21-L99 HydrophobicContact CE2-CD2 4.12Å; F21-L99 HydrophobicContact CZ-CD2 3.94Å; F21-L99 HydrophobicContact CZ-CG 4.27Å; L51-L99 HydrophobicContact CD1-CD2 4.21Å; L51-L99 HydrophobicContact CD2-CB 4.48Å; L51-L99 HydrophobicContact CD2-CD1 4.31Å; L61-L99 CarbonylContact O-C 3.43Å; L61-L99 WeakPolarHBondContact O-CA 3.35Å; L63-L99 HydrophobicContact CD1-CD1 3.81Å; L63-L99 HydrophobicContact CG-CD1 3.88Å; L99-V101 HydrophobicContact CD1-CG1 4.02Å; L99-V101 HydrophobicContact CD2-CG1 4.09Å; L99-V101 HydrophobicContact CG-CG1 3.89Å; L99-L117 HydrophobicContact CD2-CD2 4Å; L99-L121 HydrophobicContact CB-CD1 4.3Å; L99-L121 HydrophobicContact CD2-CD1 3.91Å; L99-P127 PolarHBondContact N-O 2.82Å; L99-P127 VanDerWaalsContact N-O 3.09Å; L99-G128 CarbonylContact O-C 3.47Å; L99-G128 VanDerWaalsContact O-CA 3.24Å; L99-G128 WeakPolarHBondContact O-CA 3.38Å; L99-I129 PolarHBondContact O-N 2.7Å |
| 100 | V | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.2 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | L8 I60 L61 V62 L63 I129 I132 L137 | L8-V100 HydrophobicContact CD2-CG1 4.38Å; L8-V100 HydrophobicContact CD2-CG2 4.08Å; I60-V100 HydrophobicContact CG2-CG2 3.64Å; L61-V100 PolarHBondContact O-N 3.11Å; V62-V100 WeakPolarHBondContact CA-O 3.36Å; V62-V100 HydrophobicContact CB-CB 4.32Å; V62-V100 HydrophobicContact CG1-CB 4.35Å; V62-V100 HydrophobicContact CG1-CG1 4.24Å; V62-V100 HydrophobicContact CG2-CB 3.94Å; V62-V100 HydrophobicContact CG2-CG1 4.28Å; V62-V100 HydrophobicContact CG2-CG2 4.22Å; L63-V100 PolarHBondContact N-O 2.81Å; V100-I129 HydrophobicContact CB-CG2 4.08Å; V100-I129 HydrophobicContact CG1-CG2 4.04Å; V100-I129 HydrophobicContact CG2-CG2 3.68Å; V100-I132 HydrophobicContact CG1-CB 4.09Å; V100-I132 HydrophobicContact CG1-CG1 4.04Å; V100-I132 HydrophobicContact CG1-CG2 3.95Å; V100-L137 HydrophobicContact CG1-CD2 3.96Å |
| 101 | V | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -139.1 | 164.5 | -179.1 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | F21 L63 I68 L99 V104 I129 Q130 | F21-V101 HydrophobicContact CE1-CG2 3.72Å; F21-V101 HydrophobicContact CZ-CG2 3.79Å; L63-V101 HydrophobicContact CB-CG1 4.39Å; L63-V101 HydrophobicContact CD1-CG1 4.37Å; I68-V101 HydrophobicContact CB-CB 4.36Å; I68-V101 HydrophobicContact CB-CG1 3.86Å; I68-V101 HydrophobicContact CG1-CB 4.2Å; I68-V101 HydrophobicContact CG1-CG1 3.74Å; I68-V101 HydrophobicContact CG2-CG1 4.1Å; L99-V101 HydrophobicContact CD1-CG1 4.02Å; L99-V101 HydrophobicContact CD2-CG1 4.09Å; L99-V101 HydrophobicContact CG-CG1 3.89Å; V101-V104 HydrophobicContact CG2-CB 4.25Å; V101-I129 PolarHBondContact N-O 2.64Å; V101-Q130 HydrophobicContact CG2-CB 3.97Å; V101-Q130 WeakPolarHBondContact O-CA 3.28Å | ||
| 102 | G | 94.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 13% | 0.134 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -70.9 | -55.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P66 D131 | P66-G102 CarbonylContact O-C 3.46Å; G102-D131 VanDerWaalsContact O-CA 3.29Å; G102-D131 WeakPolarHBondContact O-CA 3.04Å; G102-D131 PolarHBondContact O-N 3.21Å |
| 103 | E | 94.1 | Very high | 93.3 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 12% | 0.121 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 134 | 179.8 | -177.9 | -174.3 | 162.5 | 0 | 0 | 109.3 | P66 L67 I68 N782 K854 R857 | P66-E103 WeakPolarHBondContact O-CA 3.34Å; P66-E103 PolarHBondContact O-N 2.86Å; P66-E103 VanDerWaalsContact O-O 3.1Å; L67-E103 HydrophobicContact CD2-CB 4.11Å; L67-E103 HydrophobicContact CD2-CG 4.19Å; L67-E103 WeakPolarHBondContact CD2-OE2 3.5Å; I68-E103 PolarHBondContact N-O 2.9Å; E103-N782 WeakPolarHBondContact OE2-CB 3.21Å; E103-K854 IonicContact OE1-NZ 2.93Å; E103-K854 PolarHBondContact OE1-NZ 2.99Å; E103-K854 IonicContact OE2-NZ 3.93Å; E103-R857 IonicContact OE1-NH1 2.74Å; E103-R857 PolarHBondContact OE1-NH1 2.88Å |
| 104 | V | 94.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.3 | 170.7 | 77.6 | 0 | 0 | 0 | 0 | 110.6 | F21 I68 V101 E106 L117 P118 | F21-V104 HydrophobicContact CB-CG1 4.34Å; F21-V104 HydrophobicContact CD1-CB 4.49Å; F21-V104 HydrophobicContact CD1-CG1 4.22Å; F21-V104 HydrophobicContact CD2-CB 4.41Å; F21-V104 HydrophobicContact CD2-CG1 4.24Å; F21-V104 HydrophobicContact CD2-CG2 4.1Å; F21-V104 HydrophobicContact CE1-CB 4.37Å; F21-V104 HydrophobicContact CE2-CB 4.29Å; F21-V104 HydrophobicContact CE2-CG2 3.87Å; F21-V104 HydrophobicContact CG-CG1 4.03Å; F21-V104 HydrophobicContact CZ-CB 4.28Å; F21-V104 HydrophobicContact CZ-CG2 4.24Å; I68-V104 CarbonylContact O-C 3.57Å; I68-V104 WeakPolarHBondContact O-CA 3.42Å; V101-V104 HydrophobicContact CG2-CB 4.25Å; V104-E106 PolarHBondContact O-N 3.39Å; V104-L117 HydrophobicContact CG2-CD2 4.07Å; V104-P118 HydrophobicContact CG1-CG 4.32Å; V104-P118 HydrophobicContact CG2-CG 4.03Å |
| 105 | A | 91.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 5% | 0.05 | 17% | 0.169 | C | C | . | . | trans | -69.9 | 116.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I68 E107 | I68-A105 PolarHBondContact O-N 2.84Å; A105-E107 WeakPolarHBondContact CB-O 3.38Å | ||
| 106 | E | 85.6 | Confident | 93.5 | Very high | 113 Ų | 113 | 36.2 Ų | 36.2 | 53% | 0.528 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -68.2 | -39.2 | 178.5 | -64.2 | -165.7 | 166.2 | 0 | 0 | 111.2 | V104 T116 | V104-E106 PolarHBondContact O-N 3.39Å; E106-T116 WeakPolarHBondContact O-CG2 3.42Å |
| 107 | E | 88.8 | Confident | 93.5 | Very high | 84 Ų | 84 | 36.1 Ų | 36.1 | 39% | 0.393 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -117.3 | 158.8 | 171.2 | -74.3 | -62.5 | 161.7 | 0 | 0 | 110.9 | A105 F109 K113 | A105-E107 WeakPolarHBondContact CB-O 3.38Å; E107-F109 HydrophobicContact CB-CE2 3.97Å; E107-F109 HydrophobicContact CB-CZ 4.1Å; E107-K113 IonicContact OE2-NZ 3.11Å; E107-K113 PolarHBondContact OE2-NZ 3.36Å |
| 108 | A | 89.5 | Confident | 93.5 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | trans | -142 | 142.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G69 G72 K113 | G69-A108 WeakPolarHBondContact O-CB 3.38Å; G72-A108 VanDerWaalsContact CA-CB 3.48Å; G72-A108 VanDerWaalsContact N-CB 3.27Å; A108-K113 HydrophobicContact CB-CG 4.38Å; A108-K113 WeakPolarHBondContact O-CD 3.4Å; A108-K113 WeakPolarHBondContact O-CE 3.49Å; A108-K113 PolarHBondContact O-NZ 3.26Å | ||
| 109 | F | 89.4 | Confident | 93.5 | Very high | 60 Ų | 60 | 39.5 Ų | 39.5 | 26% | 0.263 | 18% | 0.181 | S | C | . | . | trans | -128 | 73.7 | -172.3 | -59.7 | -83.5 | 0 | 0 | 0 | 110.6 | E107 Y849 W850 E853 | E107-F109 HydrophobicContact CB-CE2 3.97Å; E107-F109 HydrophobicContact CB-CZ 4.1Å; F109-Y849 HydrophobicContact CB-CG 4.45Å; F109-Y849 HydrophobicContact CD1-CD1 4.35Å; F109-Y849 HydrophobicContact CD1-CD2 4.16Å; F109-Y849 AromaticContact CD1-CG 3.73Å; F109-Y849 HydrophobicContact CD1-CG 3.73Å; F109-Y849 HydrophobicContact CE1-CD1 4.26Å; F109-Y849 HydrophobicContact CE1-CG 4.09Å; F109-Y849 HydrophobicContact CG-CG 4.08Å; F109-W850 HydrophobicContact CD2-CB 4.39Å; F109-E853 HydrophobicContact CE2-CB 4.13Å; F109-E853 HydrophobicContact CE2-CG 4.44Å | ||
| 110 | H | 94.1 | Very high | 93.4 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | trans | -126.9 | 143 | 174.6 | -176.2 | -95 | 0 | 0 | 0 | 109 | Y71 R112 K113 E654 | Y71-H110 VanDerWaalsContact O-CB 3.23Å; Y71-H110 WeakPolarHBondContact O-CB 3.4Å; H110-R112 PolarHBondContact ND1-N 2.9Å; H110-R112 VanDerWaalsContact ND1-N 3.18Å; H110-R112 PolarHBondContact O-N 2.9Å; H110-K113 WeakPolarHBondContact O-CB 3.46Å; H110-K113 PolarHBondContact O-N 3.41Å; H110-E654 IonicContact CD2-OE2 2.71Å; H110-E654 IonicContact NE2-OE1 2.66Å; H110-E654 PolarHBondContact NE2-OE1 3.3Å; H110-E654 IonicContact NE2-OE2 2.85Å; H110-E654 PolarHBondContact NE2-OE2 2.91Å; H110-E654 VanDerWaalsContact NE2-OE2 3.09Å | ||
| 111 | W | 92.4 | Very high | 93.3 | Very high | 99 Ų | 99 | 39.6 Ų | 39.6 | 38% | 0.375 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.5 | -172.8 | 66.6 | -88.7 | 0 | 0 | 0 | 113.5 | E686 | W111-E686 HydrophobicContact CZ2-CG 4.27Š|
| 112 | R | 92.4 | Very high | 93.2 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -2.3 | 171.1 | -65.1 | -171.6 | 172.7 | 159.2 | 2.7 | 114.7 | P74 H86 H110 W114 E686 | P74-R112 WeakPolarHBondContact CA-O 3.17Å; P74-R112 HydrophobicContact CB-CB 4.37Å; H86-R112 PolarHBondContact CE1-NH1 2.7Å; H86-R112 VanDerWaalsContact CE1-NH1 3.34Å; H110-R112 PolarHBondContact ND1-N 2.9Å; H110-R112 VanDerWaalsContact ND1-N 3.18Å; H110-R112 PolarHBondContact O-N 2.9Å; R112-W114 PolarHBondContact O-N 3.14Å; R112-E686 IonicContact CZ-OE1 2.75Å; R112-E686 IonicContact CZ-OE2 2.76Å; R112-E686 IonicContact NH1-OE1 2.77Å; R112-E686 PolarHBondContact NH1-OE1 3.11Å; R112-E686 IonicContact NH2-OE1 3.78Å; R112-E686 PolarHBondContact NH2-OE1 3.42Å; R112-E686 IonicContact NH2-OE2 2.83Å; R112-E686 PolarHBondContact NH2-OE2 3.05Å |
| 113 | K | 92.8 | Very high | 93.2 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 113.8 | -176.5 | 179.3 | -126.3 | -169.3 | 158.1 | 0 | 110.2 | E107 A108 H110 | E107-K113 IonicContact OE2-NZ 3.11Å; E107-K113 PolarHBondContact OE2-NZ 3.36Å; A108-K113 HydrophobicContact CB-CG 4.38Å; A108-K113 WeakPolarHBondContact O-CD 3.4Å; A108-K113 WeakPolarHBondContact O-CE 3.49Å; A108-K113 PolarHBondContact O-NZ 3.26Å; H110-K113 WeakPolarHBondContact O-CB 3.46Å; H110-K113 PolarHBondContact O-N 3.41Å |
| 114 | W | 94.4 | Very high | 93.2 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 42% | 0.42 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -42.8 | 169.8 | 172.9 | 57.4 | 0 | 0 | 0 | 111.3 | V73 A75 R112 | V73-W114 WeakPolarHBondContact O-CB 3.28Å; V73-W114 PolarHBondContact O-N 3.29Å; A75-W114 HydrophobicContact CB-CB 3.91Å; A75-W114 HydrophobicContact CB-CD2 4.41Å; A75-W114 HydrophobicContact CB-CG 3.96Å; R112-W114 PolarHBondContact O-N 3.14Å |
| 115 | K | 94.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.6 | 178.1 | -71.9 | -170.1 | 174.2 | -155.7 | 0 | 112 | V73 W120 | V73-K115 PolarHBondContact N-O 3.2Å; V73-K115 PolarHBondContact O-N 3.38Å; V73-K115 VanDerWaalsContact O-N 3.13Å; K115-W120 HydrophobicContact CB-CB 4.37Å |
| 116 | T | 95.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | trans | -73.5 | 155.3 | 163.7 | 67.4 | 0 | 0 | 0 | 0 | 109.1 | E106 D119 W120 | E106-T116 WeakPolarHBondContact O-CG2 3.42Å; T116-D119 PolarHBondContact O-N 3.1Å; T116-D119 WeakPolarHBondContact OG1-CB 3.34Å; T116-D119 VanDerWaalsContact OG1-CG 3.24Å; T116-D119 PolarHBondContact OG1-N 3.23Å; T116-D119 PolarHBondContact OG1-OD2 2.92Å; T116-W120 PolarHBondContact O-N 3.41Å | ||
| 117 | L | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 176.9 | 173.9 | 61.9 | 0 | 0 | 0 | 112.2 | Y47 L51 I68 V73 L99 V104 D119 W120 L121 | Y47-L117 HydrophobicContact CD2-CD1 4.39Å; Y47-L117 HydrophobicContact CD2-CD2 4.37Å; Y47-L117 HydrophobicContact CE2-CD2 4.48Å; L51-L117 HydrophobicContact CD1-CD1 3.95Å; I68-L117 HydrophobicContact CG2-CD2 3.58Å; V73-L117 HydrophobicContact CG2-CB 4.44Å; V73-L117 HydrophobicContact CG2-CD1 4.42Å; L99-L117 HydrophobicContact CD2-CD2 4Å; V104-L117 HydrophobicContact CG2-CD2 4.07Å; L117-D119 PolarHBondContact O-N 3.48Å; L117-W120 HydrophobicContact CD1-CE3 3.87Å; L117-W120 HydrophobicContact CD1-CZ3 4.23Å; L117-W120 PolarHBondContact O-N 2.95Å; L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.97Å; L117-L121 HydrophobicContact CG-CD1 4.36Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.21Å |
| 118 | P | 95.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 47 Ų | 47 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.8 | -44.3 | 175 | -26.9 | 35.8 | 0 | 0 | 0 | 113.7 | F21 G22 V104 W120 L121 K122 | F21-P118 HydrophobicContact CD2-CB 4.34Å; F21-P118 HydrophobicContact CD2-CG 4.15Å; G22-P118 WeakPolarHBondContact CA-O 3.43Å; V104-P118 HydrophobicContact CG1-CG 4.32Å; V104-P118 HydrophobicContact CG2-CG 4.03Å; P118-W120 VanDerWaalsContact C-N 3.32Å; P118-W120 PolarHBondContact O-N 2.96Å; P118-L121 PolarHBondContact O-N 2.88Å; P118-K122 WeakPolarHBondContact O-CB 3.3Å; P118-K122 PolarHBondContact O-N 3.04Å |
| 119 | D | 95.2 | Very high | 94.4 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.4 | -33.8 | -179.4 | -72.3 | -33.4 | 0 | 0 | 0 | 112.6 | T116 L117 Q123 | T116-D119 PolarHBondContact O-N 3.1Å; T116-D119 WeakPolarHBondContact OG1-CB 3.34Å; T116-D119 VanDerWaalsContact OG1-CG 3.24Å; T116-D119 PolarHBondContact OG1-N 3.23Å; T116-D119 PolarHBondContact OG1-OD2 2.92Å; L117-D119 PolarHBondContact O-N 3.48Å; D119-Q123 PolarHBondContact O-N 3.22Å; D119-Q123 VanDerWaalsContact O-N 3.11Å |
| 120 | W | 95.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.8 | -40.2 | 177 | -179.1 | 64.8 | 0 | 0 | 0 | 112.8 | T48 L51 T52 V73 F87 G92 V94 K115 T116 L117 P118 Q123 H124 | T48-W120 HydrophobicContact CG2-CH2 4.47Å; T48-W120 HydrophobicContact CG2-CZ3 4.36Å; L51-W120 HydrophobicContact CB-CH2 3.98Å; L51-W120 HydrophobicContact CB-CZ3 3.97Å; L51-W120 HydrophobicContact CD1-CZ3 3.72Å; T52-W120 HydrophobicContact CG2-CH2 3.81Å; T52-W120 HydrophobicContact CG2-CZ2 3.75Å; V73-W120 HydrophobicContact CB-CB 4.32Å; V73-W120 HydrophobicContact CB-CD2 4.4Å; V73-W120 HydrophobicContact CB-CG 4.28Å; V73-W120 HydrophobicContact CG1-CB 4.34Å; V73-W120 HydrophobicContact CG1-CD2 3.72Å; V73-W120 HydrophobicContact CG1-CE3 4.2Å; V73-W120 HydrophobicContact CG1-CG 3.78Å; V73-W120 HydrophobicContact CG1-CZ2 4.4Å; V73-W120 HydrophobicContact CG2-CB 3.91Å; V73-W120 HydrophobicContact CG2-CD2 3.93Å; V73-W120 HydrophobicContact CG2-CE3 3.75Å; V73-W120 HydrophobicContact CG2-CG 4.04Å; V73-W120 HydrophobicContact CG2-CZ3 4.45Å; F87-W120 HydrophobicContact CD1-CZ2 4.09Å; F87-W120 HydrophobicContact CE1-CH2 4.17Å; F87-W120 AromaticContact CE1-CZ2 3.59Å; F87-W120 HydrophobicContact CE1-CZ2 3.59Å; F87-W120 HydrophobicContact CZ-CZ2 4.4Å; G92-W120 VanDerWaalsContact O-CZ2 3.22Å; G92-W120 WeakPolarHBondContact O-CZ2 3.25Å; G92-W120 PolarHBondContact O-NE1 2.97Å; V94-W120 HydrophobicContact CG2-CD2 4.17Å; V94-W120 HydrophobicContact CG2-CE3 4.06Å; V94-W120 HydrophobicContact CG2-CH2 3.61Å; V94-W120 HydrophobicContact CG2-CZ2 3.67Å; V94-W120 HydrophobicContact CG2-CZ3 3.8Å; K115-W120 HydrophobicContact CB-CB 4.37Å; T116-W120 PolarHBondContact O-N 3.41Å; L117-W120 HydrophobicContact CD1-CE3 3.87Å; L117-W120 HydrophobicContact CD1-CZ3 4.23Å; L117-W120 PolarHBondContact O-N 2.95Å; P118-W120 VanDerWaalsContact C-N 3.32Å; P118-W120 PolarHBondContact O-N 2.96Å; W120-Q123 WeakPolarHBondContact O-CB 3.37Å; W120-Q123 PolarHBondContact O-N 3.1Å; W120-H124 AromaticContact CD1-CE1 3.63Å; W120-H124 AromaticContact CD1-ND1 3.75Å; W120-H124 AromaticContact NE1-CE1 3.29Å; W120-H124 PolarHBondContact NE1-CE1 3.16Å; W120-H124 VanDerWaalsContact NE1-CE1 3.29Å; W120-H124 AromaticContact NE1-ND1 3.61Å; W120-H124 PolarHBondContact O-N 2.81Å; W120-H124 PolarHBondContact O-ND1 3.48Å |
| 121 | L | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 173.5 | -68.7 | -176 | 0 | 0 | 0 | 111.7 | F21 L51 V94 L99 L117 P118 Q123 H124 K125 V126 | F21-L121 HydrophobicContact CD2-CD1 4.16Å; F21-L121 HydrophobicContact CE2-CD1 3.59Å; F21-L121 HydrophobicContact CZ-CD1 4.48Å; L51-L121 HydrophobicContact CD1-CD2 4.21Å; V94-L121 HydrophobicContact CG1-CD2 4.3Å; V94-L121 HydrophobicContact CG2-CD2 4.12Å; L99-L121 HydrophobicContact CB-CD1 4.3Å; L99-L121 HydrophobicContact CD2-CD1 3.91Å; L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.97Å; L117-L121 HydrophobicContact CG-CD1 4.36Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.21Å; P118-L121 PolarHBondContact O-N 2.88Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 3.43Å; L121-H124 CarbonylContact O-C 3.6Å; L121-H124 PolarHBondContact O-N 3.3Å; L121-H124 VanDerWaalsContact O-N 3.14Å; L121-K125 PolarHBondContact O-N 2.97Å; L121-K125 VanDerWaalsContact O-N 3.13Å; L121-V126 WeakPolarHBondContact CB-O 3.47Å; L121-V126 HydrophobicContact CD2-CB 4.15Å; L121-V126 HydrophobicContact CD2-CG1 4.1Å; L121-V126 PolarHBondContact O-N 3.38Å |
| 122 | K | 94.5 | Very high | 94.7 | Very high | 125 Ų | 125 | 42.8 Ų | 42.8 | 54% | 0.543 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.5 | -40.5 | 175.3 | -172.9 | 176.4 | -178.6 | 177.3 | 0 | 112.1 | P118 H124 K125 | P118-K122 WeakPolarHBondContact O-CB 3.3Å; P118-K122 PolarHBondContact O-N 3.04Å; K122-H124 VanDerWaalsContact C-N 3.29Å; K122-H124 PolarHBondContact O-N 2.87Å; K122-K125 PolarHBondContact O-N 3.38Å |
| 123 | Q | 93.7 | Very high | 94.8 | Very high | 92 Ų | 92 | 41 Ų | 41 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 175.8 | 172.5 | -178.4 | -29.1 | 0 | 0 | 112.4 | D119 W120 L121 | D119-Q123 PolarHBondContact O-N 3.22Å; D119-Q123 VanDerWaalsContact O-N 3.11Å; W120-Q123 WeakPolarHBondContact O-CB 3.37Å; W120-Q123 PolarHBondContact O-N 3.1Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 3.43Å |
| 124 | H | 93.9 | Very high | 94.9 | Very high | 44 Ų | 44 | 37.9 Ų | 37.9 | 20% | 0.204 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 6.1 | -177.9 | -66.8 | 99.7 | 0 | 0 | 0 | 114.1 | G92 V94 W120 L121 K122 V126 | G92-H124 PolarHBondContact O-CE1 2.7Å; V94-H124 HydrophobicContact CB-CB 4.16Å; V94-H124 HydrophobicContact CG2-CB 4.06Å; W120-H124 AromaticContact CD1-CE1 3.63Å; W120-H124 AromaticContact CD1-ND1 3.75Å; W120-H124 AromaticContact NE1-CE1 3.29Å; W120-H124 PolarHBondContact NE1-CE1 3.16Å; W120-H124 VanDerWaalsContact NE1-CE1 3.29Å; W120-H124 AromaticContact NE1-ND1 3.61Å; W120-H124 PolarHBondContact O-N 2.81Å; W120-H124 PolarHBondContact O-ND1 3.48Å; L121-H124 CarbonylContact O-C 3.6Å; L121-H124 PolarHBondContact O-N 3.3Å; L121-H124 VanDerWaalsContact O-N 3.14Å; K122-H124 VanDerWaalsContact C-N 3.29Å; K122-H124 PolarHBondContact O-N 2.87Å; H124-V126 VanDerWaalsContact C-N 3.27Å; H124-V126 HydrophobicContact CB-CG2 4.2Å; H124-V126 PolarHBondContact O-N 3.35Å |
| 125 | K | 93.8 | Very high | 94.9 | Very high | 128 Ų | 128 | 32.8 Ų | 32.8 | 56% | 0.557 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 35 | -175.4 | -55.5 | -172.2 | 176.5 | -170.3 | 0 | 114.2 | Y23 L121 K122 | Y23-K125 VanDerWaalsContact CB-C 3.41Å; Y23-K125 HydrophobicContact CD1-CB 4.14Å; Y23-K125 HydrophobicContact CD2-CB 3.93Å; Y23-K125 HydrophobicContact CD2-CG 3.99Å; Y23-K125 HydrophobicContact CE1-CB 4.26Å; Y23-K125 HydrophobicContact CE2-CB 4.03Å; Y23-K125 HydrophobicContact CE2-CD 4.22Å; Y23-K125 HydrophobicContact CE2-CG 3.79Å; Y23-K125 VanDerWaalsContact CG-CA 3.44Å; Y23-K125 HydrophobicContact CG-CB 3.97Å; L121-K125 PolarHBondContact O-N 2.97Å; L121-K125 VanDerWaalsContact O-N 3.13Å; K122-K125 PolarHBondContact O-N 3.38Å |
| 126 | V | 95.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | trans | -102.5 | 122.8 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | Y23 V94 L121 H124 | Y23-V126 WeakPolarHBondContact CB-O 3.47Å; Y23-V126 PolarHBondContact N-O 2.8Å; V94-V126 HydrophobicContact CB-CG2 3.9Å; V94-V126 HydrophobicContact CG1-CB 4.28Å; V94-V126 HydrophobicContact CG1-CG1 4.14Å; V94-V126 HydrophobicContact CG1-CG2 3.73Å; L121-V126 WeakPolarHBondContact CB-O 3.47Å; L121-V126 HydrophobicContact CD2-CB 4.15Å; L121-V126 HydrophobicContact CD2-CG1 4.1Å; L121-V126 PolarHBondContact O-N 3.38Å; H124-V126 VanDerWaalsContact C-N 3.27Å; H124-V126 HydrophobicContact CB-CG2 4.2Å; H124-V126 PolarHBondContact O-N 3.35Å | ||
| 127 | P | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 148.3 | 177.1 | 34.4 | -39 | 0 | 0 | 0 | 111.9 | Y23 F34 T97 A98 L99 Y153 | Y23-P127 WeakPolarHBondContact O-CA 3.47Å; Y23-P127 WeakPolarHBondContact O-CB 3.35Å; F34-P127 HydrophobicContact CB-CG 3.83Å; F34-P127 HydrophobicContact CD1-CG 3.84Å; F34-P127 HydrophobicContact CD2-CB 4.23Å; F34-P127 HydrophobicContact CD2-CG 3.64Å; F34-P127 HydrophobicContact CE1-CG 4.28Å; F34-P127 HydrophobicContact CE2-CB 4.41Å; F34-P127 HydrophobicContact CE2-CG 4.09Å; F34-P127 HydrophobicContact CG-CG 3.51Å; F34-P127 HydrophobicContact CZ-CG 4.39Å; T97-P127 WeakPolarHBondContact O-CD 3.49Å; A98-P127 WeakPolarHBondContact CA-O 3.33Å; A98-P127 HydrophobicContact CB-CG 3.86Å; L99-P127 PolarHBondContact N-O 2.82Å; L99-P127 VanDerWaalsContact N-O 3.09Å; P127-Y153 VanDerWaalsContact CB-OH 3.27Å; P127-Y153 WeakPolarHBondContact CB-OH 3.47Å |
| 128 | G | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S20 F21 L99 | S20-G128 WeakPolarHBondContact CA-O 3.29Å; F21-G128 VanDerWaalsContact CD1-C 3.48Å; F21-G128 VanDerWaalsContact CE1-C 3.45Å; F21-G128 PolarHBondContact N-O 3.22Å; F21-G128 WeakPolarHBondContact O-CA 3.22Å; F21-G128 PolarHBondContact O-N 3.23Å; L99-G128 CarbonylContact O-C 3.47Å; L99-G128 VanDerWaalsContact O-CA 3.24Å; L99-G128 WeakPolarHBondContact O-CA 3.38Å |
| 129 | I | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.2 | 172.5 | -175.2 | 169.5 | 0 | 0 | 0 | 110.6 | C6 L8 Y19 F21 L99 V100 V101 I132 I151 | C6-I129 VanDerWaalsContact SG-CD1 3.51Å; C6-I129 WeakPolarHBondContact SG-CG1 3.18Å; L8-I129 HydrophobicContact CB-CD1 4.29Å; Y19-I129 WeakPolarHBondContact O-CA 3.09Å; F21-I129 VanDerWaalsContact CE1-C 3.42Å; F21-I129 VanDerWaalsContact CE1-N 3.3Å; L99-I129 PolarHBondContact O-N 2.7Å; V100-I129 HydrophobicContact CB-CG2 4.08Å; V100-I129 HydrophobicContact CG1-CG2 4.04Å; V100-I129 HydrophobicContact CG2-CG2 3.68Å; V101-I129 PolarHBondContact N-O 2.64Å; I129-I132 HydrophobicContact CD1-CD1 3.78Å; I129-I132 HydrophobicContact CD1-CG1 4.23Å; I129-I132 HydrophobicContact CG1-CD1 4.01Å; I129-I132 HydrophobicContact CG1-CG1 3.94Å; I129-I132 HydrophobicContact CG2-CG1 4.32Å; I129-I151 HydrophobicContact CB-CD1 4.17Å; I129-I151 HydrophobicContact CG2-CD1 3.7Å; I129-I151 HydrophobicContact CG2-CG1 4.4Å |
| 130 | Q | 95.3 | Very high | 94.6 | Very high | 30 Ų | 30 | 28.5 Ų | 28.5 | 14% | 0.14 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 177.6 | 177 | 67.8 | 171.2 | -29.9 | 0 | 0 | 111.6 | G18 Y19 F21 V101 | G18-Q130 CarbonylContact C-O 3.49Å; G18-Q130 VanDerWaalsContact CA-O 3.24Å; G18-Q130 WeakPolarHBondContact CA-O 3.26Å; Y19-Q130 PolarHBondContact N-O 3.14Å; Y19-Q130 WeakPolarHBondContact O-CG 3.24Å; Y19-Q130 PolarHBondContact O-N 2.8Å; F21-Q130 HydrophobicContact CD1-CB 3.97Å; F21-Q130 HydrophobicContact CD1-CG 4.13Å; F21-Q130 HydrophobicContact CE1-CB 3.95Å; V101-Q130 HydrophobicContact CG2-CB 3.97Å; V101-Q130 WeakPolarHBondContact O-CA 3.28Å |
| 131 | D | 93.3 | Very high | 94.5 | Very high | 54 Ų | 54 | 28.5 Ų | 28.5 | 29% | 0.289 | 13% | 0.134 | S | C | . | . | S | Bend | trans | 64.5 | 27.8 | -172.2 | -156.5 | 37.2 | 0 | 0 | 0 | 113.1 | Y19 G102 R882 | Y19-D131 HydrophobicContact CD2-CB 3.83Å; Y19-D131 HydrophobicContact CE2-CB 4.29Å; G102-D131 VanDerWaalsContact O-CA 3.29Å; G102-D131 WeakPolarHBondContact O-CA 3.04Å; G102-D131 PolarHBondContact O-N 3.21Å; D131-R882 IonicContact OD1-CZ 3.78Å; D131-R882 IonicContact OD1-NH1 2.93Å; D131-R882 PolarHBondContact OD1-NH1 3.45Å; D131-R882 IonicContact OD2-CZ 2.8Å; D131-R882 IonicContact OD2-NH1 3.62Å; D131-R882 PolarHBondContact OD2-NH1 2.77Å |
| 132 | I | 94.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | trans | -92.8 | 133.4 | 175.7 | -59.6 | -64.7 | 0 | 0 | 0 | 109.2 | L16 P17 V100 I129 T134 L137 | L16-I132 HydrophobicContact CB-CD1 3.94Å; L16-I132 HydrophobicContact CD1-CG2 4.24Å; P17-I132 WeakPolarHBondContact O-CD1 3.31Å; V100-I132 HydrophobicContact CG1-CB 4.09Å; V100-I132 HydrophobicContact CG1-CG1 4.04Å; V100-I132 HydrophobicContact CG1-CG2 3.95Å; I129-I132 HydrophobicContact CD1-CD1 3.78Å; I129-I132 HydrophobicContact CD1-CG1 4.23Å; I129-I132 HydrophobicContact CG1-CD1 4.01Å; I129-I132 HydrophobicContact CG1-CG1 3.94Å; I129-I132 HydrophobicContact CG2-CG1 4.32Å; I132-T134 PolarHBondContact O-N 3.21Å; I132-L137 HydrophobicContact CG2-CD2 4.21Å | ||
| 133 | D | 94.4 | Very high | 94 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | trans | -67.9 | 85.3 | 165.7 | -174 | -16.9 | 0 | 0 | 0 | 108.5 | R135 A136 L137 K915 G937 S938 | D133-R135 PolarHBondContact O-N 2.88Å; D133-R135 WeakPolarHBondContact OD1-CA 3.45Å; D133-R135 VanDerWaalsContact OD1-CB 3.31Å; D133-R135 WeakPolarHBondContact OD1-CB 3.47Å; D133-R135 PolarHBondContact OD1-N 3.36Å; D133-R135 VanDerWaalsContact OD1-N 3.1Å; D133-A136 HydrophobicContact CB-CB 3.98Å; D133-A136 PolarHBondContact O-N 3.44Å; D133-A136 PolarHBondContact OD1-N 3.37Å; D133-L137 PolarHBondContact O-N 3.01Å; D133-K915 IonicContact OD1-NZ 2.69Å; D133-K915 IonicContact OD2-NZ 3.52Å; D133-K915 PolarHBondContact OD2-NZ 3.25Å; D133-G937 WeakPolarHBondContact OD2-CA 3.23Å; D133-S938 PolarHBondContact OD2-N 3.24Å; D133-S938 PolarHBondContact OD2-OG 2.95Å | ||
| 134 | T | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -23.6 | 179.7 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | V62 T64 I132 T138 R781 | V62-T134 HydrophobicContact CG1-CG2 4.2Å; T64-T134 PolarHBondContact O-OG1 3.18Å; T64-T134 VanDerWaalsContact O-OG1 3.08Å; I132-T134 PolarHBondContact O-N 3.21Å; T134-T138 VanDerWaalsContact O-CB 3.24Å; T134-T138 WeakPolarHBondContact O-CB 3.3Å; T134-T138 PolarHBondContact O-N 2.88Å; T134-T138 PolarHBondContact O-OG1 2.83Å; T134-R781 PolarHBondContact OG1-NH2 2.81Å |
| 135 | R | 93.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.8 | -51 | 173.1 | 169.6 | 64.6 | 71.9 | 99.6 | -2.9 | 110.5 | D133 L137 T138 K139 D745 K915 Q916 D918 D941 | D133-R135 PolarHBondContact O-N 2.88Å; D133-R135 WeakPolarHBondContact OD1-CA 3.45Å; D133-R135 VanDerWaalsContact OD1-CB 3.31Å; D133-R135 WeakPolarHBondContact OD1-CB 3.47Å; D133-R135 PolarHBondContact OD1-N 3.36Å; D133-R135 VanDerWaalsContact OD1-N 3.1Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.16Å; R135-T138 PolarHBondContact O-N 3.02Å; R135-K139 HydrophobicContact CG-CD 4.04Å; R135-K139 VanDerWaalsContact O-CG 3.29Å; R135-K139 WeakPolarHBondContact O-CG 3.45Å; R135-K139 PolarHBondContact O-N 2.92Å; R135-D745 IonicContact CZ-OD1 3.85Å; R135-D745 IonicContact CZ-OD2 2.78Å; R135-D745 VanDerWaalsContact CZ-OD2 3.3Å; R135-D745 IonicContact NE-OD1 2.86Å; R135-D745 IonicContact NE-OD2 2.77Å; R135-D745 PolarHBondContact NE-OD2 3.23Å; R135-D745 VanDerWaalsContact NH2-CG 3.29Å; R135-D745 IonicContact NH2-OD1 3.93Å; R135-D745 PolarHBondContact NH2-OD1 3.38Å; R135-D745 IonicContact NH2-OD2 2.88Å; R135-D745 PolarHBondContact NH2-OD2 3Å; R135-D745 VanDerWaalsContact NH2-OD2 3.1Å; R135-K915 HydrophobicContact CG-CD 4.43Å; R135-Q916 PolarHBondContact NH1-O 3.26Å; R135-Q916 PolarHBondContact NH2-O 3.06Å; R135-Q916 VanDerWaalsContact NH2-O 3.09Å; R135-D918 VanDerWaalsContact NH2-CB 3.28Å; R135-D941 IonicContact CZ-OD2 3.92Å; R135-D941 IonicContact NH1-OD2 3.14Å; R135-D941 PolarHBondContact NH1-OD2 3.14Å |
| 136 | A | 94.5 | Very high | 93.7 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 12% | 0.116 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D133 K140 E939 | D133-A136 HydrophobicContact CB-CB 3.98Å; D133-A136 PolarHBondContact O-N 3.44Å; D133-A136 PolarHBondContact OD1-N 3.37Å; A136-K140 PolarHBondContact O-N 2.79Å; A136-E939 HydrophobicContact CB-CG 4.06Å |
| 137 | L | 95.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -45.8 | 176.4 | -179.4 | 54.7 | 0 | 0 | 0 | 112.1 | L8 L10 L16 V62 V100 I132 D133 R135 K140 L141 | L8-L137 HydrophobicContact CD2-CD2 3.72Å; L10-L137 HydrophobicContact CD1-CD1 3.98Å; L16-L137 HydrophobicContact CD1-CB 4.19Å; L16-L137 HydrophobicContact CD1-CD1 3.97Å; L16-L137 HydrophobicContact CD1-CD2 4.27Å; L16-L137 HydrophobicContact CD1-CG 4.37Å; V62-L137 HydrophobicContact CB-CD2 4.44Å; V62-L137 HydrophobicContact CG1-CD2 3.93Å; V62-L137 HydrophobicContact CG1-CG 4.47Å; V62-L137 HydrophobicContact CG2-CD2 3.6Å; V62-L137 HydrophobicContact CG2-CG 4.31Å; V100-L137 HydrophobicContact CG1-CD2 3.96Å; I132-L137 HydrophobicContact CG2-CD2 4.21Å; D133-L137 PolarHBondContact O-N 3.01Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.16Å; L137-K140 PolarHBondContact O-N 2.94Å; L137-L141 HydrophobicContact CD1-CD1 4.18Å; L137-L141 HydrophobicContact CD1-CG 4.25Å; L137-L141 HydrophobicContact CG-CD1 4.12Å; L137-L141 WeakPolarHBondContact O-CG 3.2Å; L137-L141 PolarHBondContact O-N 3.12Å |
| 138 | T | 94.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.8 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | F40 T64 T134 R135 K140 L141 R142 | F40-T138 HydrophobicContact CD1-CG2 4.22Å; F40-T138 HydrophobicContact CD2-CG2 3.8Å; F40-T138 HydrophobicContact CE1-CG2 4.39Å; F40-T138 HydrophobicContact CE2-CG2 3.99Å; F40-T138 HydrophobicContact CG-CG2 3.93Å; F40-T138 HydrophobicContact CZ-CG2 4.3Å; T64-T138 HydrophobicContact CG2-CG2 4.22Å; T134-T138 VanDerWaalsContact O-CB 3.24Å; T134-T138 WeakPolarHBondContact O-CB 3.3Å; T134-T138 PolarHBondContact O-N 2.88Å; T134-T138 PolarHBondContact O-OG1 2.83Å; R135-T138 PolarHBondContact O-N 3.02Å; T138-K140 VanDerWaalsContact C-N 3.35Å; T138-K140 PolarHBondContact O-N 3.03Å; T138-L141 PolarHBondContact O-N 3.43Å; T138-R142 HydrophobicContact CG2-CG 4.35Å; T138-R142 WeakPolarHBondContact O-CB 3.33Å; T138-R142 VanDerWaalsContact O-CG 3.29Å; T138-R142 WeakPolarHBondContact O-CG 3.33Å; T138-R142 PolarHBondContact O-N 2.97Å |
| 139 | K | 92.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 6% | 0.061 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.2 | -48.6 | 173.2 | -73.2 | 168.3 | 61.4 | -171.5 | 0 | 111.3 | R135 L141 R142 E143 W924 E939 D941 | R135-K139 HydrophobicContact CG-CD 4.04Å; R135-K139 VanDerWaalsContact O-CG 3.29Å; R135-K139 WeakPolarHBondContact O-CG 3.45Å; R135-K139 PolarHBondContact O-N 2.92Å; K139-L141 PolarHBondContact O-N 3.31Å; K139-R142 WeakPolarHBondContact O-CB 3.13Å; K139-R142 PolarHBondContact O-N 2.98Å; K139-E143 WeakPolarHBondContact O-CB 3.42Å; K139-E143 WeakPolarHBondContact O-CG 3.46Å; K139-E143 PolarHBondContact O-N 3.39Å; K139-W924 HydrophobicContact CB-CG 4.36Å; K139-W924 HydrophobicContact CD-CD2 4.07Å; K139-W924 HydrophobicContact CD-CE3 4.16Å; K139-W924 HydrophobicContact CD-CH2 4.3Å; K139-W924 HydrophobicContact CD-CZ2 4.2Å; K139-W924 HydrophobicContact CD-CZ3 4.27Å; K139-W924 VanDerWaalsContact CE-CE2 3.41Å; K139-W924 HydrophobicContact CG-CB 4.46Å; K139-W924 HydrophobicContact CG-CD2 3.67Å; K139-W924 HydrophobicContact CG-CE3 3.98Å; K139-W924 HydrophobicContact CG-CG 3.86Å; K139-E939 WeakPolarHBondContact CE-OE1 3.33Å; K139-E939 IonicContact NZ-OE1 3.16Å; K139-E939 PolarHBondContact NZ-OE1 3.44Å; K139-D941 WeakPolarHBondContact CD-OD1 3.35Å; K139-D941 IonicContact NZ-OD1 3.15Å; K139-D941 PolarHBondContact NZ-OD1 3.28Å |
| 140 | K | 93.2 | Very high | 93.5 | Very high | 46 Ų | 46 | 26.1 Ų | 26.1 | 20% | 0.2 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.5 | -46.4 | 177 | 176.7 | 174.5 | -84.4 | -76.4 | 0 | 111.8 | L10 D12 T14 A136 L137 T138 R142 E143 Q144 M147 | L10-K140 HydrophobicContact CD1-CD 3.7Å; D12-K140 IonicContact OD2-NZ 2.75Å; D12-K140 PolarHBondContact OD2-NZ 3.1Å; T14-K140 HydrophobicContact CG2-CD 4.42Å; T14-K140 VanDerWaalsContact OG1-CE 3.27Å; T14-K140 WeakPolarHBondContact OG1-CE 3.48Å; T14-K140 PolarHBondContact OG1-NZ 2.88Å; T14-K140 VanDerWaalsContact OG1-NZ 3.1Å; A136-K140 PolarHBondContact O-N 2.79Å; L137-K140 PolarHBondContact O-N 2.94Å; T138-K140 VanDerWaalsContact C-N 3.35Å; T138-K140 PolarHBondContact O-N 3.03Å; K140-R142 VanDerWaalsContact C-N 3.34Å; K140-R142 PolarHBondContact O-N 3.48Å; K140-E143 PolarHBondContact O-N 3.25Å; K140-Q144 WeakPolarHBondContact O-CB 3.45Å; K140-Q144 PolarHBondContact O-N 2.95Å; K140-M147 HydrophobicContact CG-SD 4.38Å |
| 141 | L | 94.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.3 | -33.1 | 178.1 | -65.8 | 170.5 | 0 | 0 | 0 | 112.5 | V38 F40 V62 L137 T138 K139 G145 M147 | V38-L141 HydrophobicContact CB-CD2 4.29Å; V38-L141 HydrophobicContact CG1-CD1 3.88Å; V38-L141 HydrophobicContact CG1-CD2 4.24Å; F40-L141 HydrophobicContact CB-CD1 4.36Å; F40-L141 HydrophobicContact CD1-CB 3.75Å; F40-L141 HydrophobicContact CD1-CD1 3.85Å; F40-L141 HydrophobicContact CD1-CG 4.47Å; F40-L141 HydrophobicContact CE1-CB 3.92Å; V62-L141 HydrophobicContact CG2-CD1 4.42Å; L137-L141 HydrophobicContact CD1-CD1 4.18Å; L137-L141 HydrophobicContact CD1-CG 4.25Å; L137-L141 HydrophobicContact CG-CD1 4.12Å; L137-L141 WeakPolarHBondContact O-CG 3.2Å; L137-L141 PolarHBondContact O-N 3.12Å; T138-L141 PolarHBondContact O-N 3.43Å; K139-L141 PolarHBondContact O-N 3.31Å; L141-G145 CarbonylContact O-C 3.57Å; L141-G145 WeakPolarHBondContact O-CA 3.41Å; L141-G145 PolarHBondContact O-N 3.43Å; L141-M147 HydrophobicContact CD2-CB 4.41Å; L141-M147 HydrophobicContact CD2-CG 4.18Å; L141-M147 HydrophobicContact CD2-SD 4.47Å |
| 142 | R | 90.3 | Very high | 93.3 | Very high | 52 Ų | 52 | 22.7 Ų | 22.7 | 20% | 0.196 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.2 | -41.5 | 172.7 | -76.3 | -74.9 | -61 | -159.9 | -4.5 | 112.2 | F40 T138 K139 K140 K287 Y288 G922 W924 | F40-R142 HydrophobicContact CE1-CG 4.13Å; F40-R142 HydrophobicContact CZ-CG 3.85Å; T138-R142 HydrophobicContact CG2-CG 4.35Å; T138-R142 WeakPolarHBondContact O-CB 3.33Å; T138-R142 VanDerWaalsContact O-CG 3.29Å; T138-R142 WeakPolarHBondContact O-CG 3.33Å; T138-R142 PolarHBondContact O-N 2.97Å; K139-R142 WeakPolarHBondContact O-CB 3.13Å; K139-R142 PolarHBondContact O-N 2.98Å; K140-R142 VanDerWaalsContact C-N 3.34Å; K140-R142 PolarHBondContact O-N 3.48Å; R142-K287 VanDerWaalsContact O-CE 3.26Å; R142-K287 WeakPolarHBondContact O-CE 3.41Å; R142-K287 PolarHBondContact O-NZ 3.27Å; R142-Y288 PolarHBondContact NH1-OH 2.84Å; R142-G922 WeakPolarHBondContact CD-O 3.43Å; R142-G922 WeakPolarHBondContact CG-O 3.23Å; R142-G922 VanDerWaalsContact CZ-O 3.23Å; R142-G922 PolarHBondContact NE-O 2.67Å; R142-W924 HydrophobicContact CB-CB 4.2Å; R142-W924 HydrophobicContact CG-CB 4.4Å; R142-W924 PolarHBondContact NH2-O 3.02Å |
| 143 | E | 90.7 | Very high | 93.1 | Very high | 108 Ų | 108 | 23.6 Ų | 23.6 | 51% | 0.505 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -77.7 | -42.4 | -177 | -73.3 | 177.4 | 175.8 | 0 | 0 | 113.2 | K139 K140 K287 W924 | K139-E143 WeakPolarHBondContact O-CB 3.42Å; K139-E143 WeakPolarHBondContact O-CG 3.46Å; K139-E143 PolarHBondContact O-N 3.39Å; K140-E143 PolarHBondContact O-N 3.25Å; E143-K287 VanDerWaalsContact C-NZ 3.35Å; E143-K287 WeakPolarHBondContact O-CE 3.5Å; E143-K287 PolarHBondContact O-NZ 3.46Å; E143-W924 PolarHBondContact OE1-NE1 2.73Å |
| 144 | Q | 91.2 | Very high | 92.8 | Very high | 100 Ų | 100 | 28.1 Ų | 28.1 | 47% | 0.467 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -97.6 | -17.4 | -176.3 | -58.1 | -166.7 | 1.7 | 0 | 0 | 113.4 | D12 K140 M147 | D12-Q144 PolarHBondContact OD2-OE1 3.13Å; K140-Q144 WeakPolarHBondContact O-CB 3.45Å; K140-Q144 PolarHBondContact O-N 2.95Å; Q144-M147 HydrophobicContact CB-SD 4.09Å; Q144-M147 PolarHBondContact OE1-SD 2.64Å |
| 145 | G | 91 | Very high | 92.4 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | 93.2 | 177.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L141 M147 K287 | L141-G145 CarbonylContact O-C 3.57Å; L141-G145 WeakPolarHBondContact O-CA 3.41Å; L141-G145 PolarHBondContact O-N 3.43Å; G145-M147 VanDerWaalsContact O-CG 3.3Å; G145-M147 WeakPolarHBondContact O-CG 3.37Å; G145-K287 CarbonylContact C-O 3.59Å; G145-K287 WeakPolarHBondContact CA-O 3.39Å | ||
| 146 | S | 90.9 | Very high | 92 | Very high | 26 Ų | 26 | 36.3 Ų | 36.3 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -63.2 | 137.7 | 172.3 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | E37 K287 | E37-S146 PolarHBondContact OE1-OG 3.45Å; E37-S146 VanDerWaalsContact OE1-OG 3.09Å; S146-K287 PolarHBondContact N-O 2.84Å |
| 147 | M | 93.7 | Very high | 91.5 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 158.9 | -170.7 | -55.4 | 177.3 | 75.6 | 0 | 0 | 111.2 | E11 D12 E37 V38 K140 L141 Q144 G145 | E11-M147 HydrophobicContact CG-CB 4.32Å; E11-M147 HydrophobicContact CG-CE 4.07Å; E11-M147 WeakPolarHBondContact OE1-CA 3.44Å; D12-M147 HydrophobicContact CB-CE 3.52Å; E37-M147 CarbonylContact C-O 3.59Å; V38-M147 PolarHBondContact N-O 3.42Å; K140-M147 HydrophobicContact CG-SD 4.38Å; L141-M147 HydrophobicContact CD2-CB 4.41Å; L141-M147 HydrophobicContact CD2-CG 4.18Å; L141-M147 HydrophobicContact CD2-SD 4.47Å; Q144-M147 HydrophobicContact CB-SD 4.09Å; Q144-M147 PolarHBondContact OE1-SD 2.64Å; G145-M147 VanDerWaalsContact O-CG 3.3Å; G145-M147 WeakPolarHBondContact O-CG 3.37Å |
| 148 | L | 95.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 135.7 | 167.5 | -55.4 | 179.7 | 0 | 0 | 0 | 110.6 | E11 E37 F166 D168 | E11-L148 HydrophobicContact CB-CB 4.18Å; E11-L148 HydrophobicContact CG-CB 4.36Å; E11-L148 PolarHBondContact N-O 3.17Å; E11-L148 PolarHBondContact OE1-N 2.98Å; E37-L148 HydrophobicContact CB-CD2 4.37Å; L148-F166 HydrophobicContact CB-CB 4Å; L148-F166 HydrophobicContact CB-CD1 3.98Å; L148-F166 HydrophobicContact CB-CG 4.29Å; L148-F166 HydrophobicContact CD1-CB 3.95Å; L148-D168 HydrophobicContact CD1-CB 3.94Å; L148-D168 HydrophobicContact CD2-CB 4.2Å |
| 149 | G | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 165.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | A9 G35 G36 V38 I60 | A9-G149 CarbonylContact O-C 3.59Å; A9-G149 VanDerWaalsContact O-CA 3.23Å; A9-G149 WeakPolarHBondContact O-CA 3.26Å; G35-G149 VanDerWaalsContact CA-O 3.26Å; G35-G149 WeakPolarHBondContact CA-O 3.3Å; G36-G149 PolarHBondContact N-O 3.47Å; G36-G149 PolarHBondContact O-N 3.41Å; V38-G149 VanDerWaalsContact CG2-CA 3.47Å; I60-G149 VanDerWaalsContact CD1-O 3.3Å; I60-G149 WeakPolarHBondContact CD1-O 3.32Å |
| 150 | K | 94.2 | Very high | 89.3 | Confident | 28 Ų | 28 | 55 Ų | 55 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 125.4 | -173.5 | -163.5 | 171.3 | -173.9 | 176.2 | 0 | 112.1 | A9 V32 F34 V152 L161 S165 F166 | A9-K150 PolarHBondContact N-O 3.4Å; A9-K150 PolarHBondContact O-N 3.18Å; V32-K150 WeakPolarHBondContact O-CE 3.48Å; V32-K150 PolarHBondContact O-NZ 2.87Å; F34-K150 CarbonylContact O-C 3.58Å; F34-K150 VanDerWaalsContact O-CA 3.28Å; F34-K150 WeakPolarHBondContact O-CA 3.34Å; K150-V152 HydrophobicContact CD-CG1 4.29Å; K150-V152 HydrophobicContact CG-CG1 4.05Å; K150-L161 HydrophobicContact CB-CD1 4.41Å; K150-L161 HydrophobicContact CD-CD1 4.08Å; K150-S165 PolarHBondContact NZ-O 3.33Å; K150-F166 HydrophobicContact CB-CD1 4.35Å; K150-F166 HydrophobicContact CB-CE1 3.98Å |
| 151 | I | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123.3 | 170.4 | -59.1 | -176.3 | 0 | 0 | 0 | 109 | C6 Y7 L8 G33 F34 A98 I129 Y153 | C6-I151 HydrophobicContact CB-CG2 4.38Å; Y7-I151 WeakPolarHBondContact O-CA 3.46Å; L8-I151 HydrophobicContact CD1-CG1 4.12Å; G33-I151 CarbonylContact C-O 3.6Å; G33-I151 WeakPolarHBondContact CA-O 3.32Å; F34-I151 PolarHBondContact N-O 3.42Å; F34-I151 PolarHBondContact O-N 3.2Å; A98-I151 HydrophobicContact CB-CD1 3.62Å; A98-I151 HydrophobicContact CB-CG1 4.41Å; I129-I151 HydrophobicContact CB-CD1 4.17Å; I129-I151 HydrophobicContact CG2-CD1 3.7Å; I129-I151 HydrophobicContact CG2-CG1 4.4Å; I151-Y153 HydrophobicContact CG2-CE2 4.26Å |
| 152 | V | 92.6 | Very high | 88.5 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153 | 178 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | C6 Y7 K150 E154 P156 L161 | C6-V152 CarbonylContact C-O 3.54Å; C6-V152 WeakPolarHBondContact CA-O 3.49Å; C6-V152 WeakPolarHBondContact CB-O 3.27Å; Y7-V152 PolarHBondContact N-O 2.66Å; Y7-V152 PolarHBondContact O-N 3.46Å; K150-V152 HydrophobicContact CD-CG1 4.29Å; K150-V152 HydrophobicContact CG-CG1 4.05Å; V152-E154 WeakPolarHBondContact CG2-O 3.26Å; V152-P156 HydrophobicContact CG2-CG 3.72Å; V152-L161 HydrophobicContact CG1-CD1 3.97Å |
| 153 | Y | 90.2 | Very high | 88.2 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 11% | 0.106 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -108.2 | -2 | -175.3 | -62.6 | -95.4 | 0 | 0 | 0 | 112.6 | C6 Y23 V24 P25 F34 P127 I151 | C6-Y153 HydrophobicContact CB-CD1 3.82Å; C6-Y153 HydrophobicContact CB-CE1 3.95Å; C6-Y153 HydrophobicContact CB-CG 4.41Å; Y23-Y153 PolarHBondContact O-OH 2.71Å; V24-Y153 HydrophobicContact CG1-CD1 4.32Å; V24-Y153 HydrophobicContact CG1-CE1 4.03Å; P25-Y153 WeakPolarHBondContact CD-OH 3.13Å; P25-Y153 HydrophobicContact CG-CD2 3.52Å; P25-Y153 HydrophobicContact CG-CE1 4.5Å; P25-Y153 HydrophobicContact CG-CE2 3.28Å; P25-Y153 HydrophobicContact CG-CG 4.27Å; F34-Y153 HydrophobicContact CD2-CE2 4.46Å; F34-Y153 HydrophobicContact CE2-CE2 4.49Å; P127-Y153 VanDerWaalsContact CB-OH 3.27Å; P127-Y153 WeakPolarHBondContact CB-OH 3.47Å; I151-Y153 HydrophobicContact CG2-CE2 4.26Å |
| 154 | E | 87.4 | Confident | 87.8 | Confident | 115 Ų | 115 | 63.9 Ų | 63.9 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -106.8 | 140.3 | 167.8 | -66.7 | -179 | -176.9 | 0 | 0 | 108.3 | V152 P156 | V152-E154 WeakPolarHBondContact CG2-O 3.26Å; E154-P156 VanDerWaalsContact O-CD 3.24Å; E154-P156 WeakPolarHBondContact O-CD 3.44Å |
| 155 | K | 85.7 | Confident | 87.5 | Confident | 164 Ų | 164 | 60.7 Ų | 60.7 | 71% | 0.713 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -60 | 118.8 | 179.9 | -173.8 | 171.8 | -178.5 | 173.7 | 0 | 109.9 | Y7 | Y7-K155 HydrophobicContact CE1-CB 4.36Å; Y7-K155 HydrophobicContact CE1-CG 3.99Å; Y7-K155 VanDerWaalsContact CE2-CA 3.5Å; Y7-K155 HydrophobicContact CE2-CB 3.89Å; Y7-K155 HydrophobicContact CE2-CG 4.42Å |
| 156 | P | 85.6 | Confident | 87.5 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 157.2 | 178.1 | -23.1 | 33.4 | 0 | 0 | 0 | 112.4 | Y7 A9 V15 V152 E154 L161 | Y7-P156 HydrophobicContact CG-CG 4.39Å; A9-P156 HydrophobicContact CB-CG 4.33Å; V15-P156 HydrophobicContact CG1-CB 4.25Å; V15-P156 HydrophobicContact CG1-CG 3.67Å; V15-P156 HydrophobicContact CG2-CB 3.83Å; V15-P156 HydrophobicContact CG2-CG 4.01Å; V152-P156 HydrophobicContact CG2-CG 3.72Å; E154-P156 VanDerWaalsContact O-CD 3.24Å; E154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-L161 HydrophobicContact CB-CD2 4.21Å; P156-L161 HydrophobicContact CB-CG 4.38Å |
| 157 | P | 83.4 | Confident | 87.3 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 49% | 0.494 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 154.9 | 168.4 | -3.7 | 14.8 | 0 | 0 | 0 | 110.9 | E159 G160 | P157-E159 PolarHBondContact O-N 3.47Å; P157-G160 WeakPolarHBondContact CG-O 3.43Å; P157-G160 WeakPolarHBondContact O-CA 3.34Å; P157-G160 PolarHBondContact O-N 3.01Å |
| 158 | V | 78.3 | Confident | 87.1 | Confident | 155 Ų | 155 | 67.7 Ų | 67.7 | 94% | 0.939 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.6 | 179.9 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | G160 | V158-G160 PolarHBondContact O-N 2.77Š|
| 159 | E | 78.5 | Confident | 86.9 | Confident | 189 Ų | 189 | 66.8 Ų | 66.8 | 88% | 0.883 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -1.1 | 175.6 | -62 | 178.5 | 180 | 0 | 0 | 113.4 | P157 | P157-E159 PolarHBondContact O-N 3.47Š|
| 160 | G | 81.3 | Confident | 86.6 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | trans | 85.8 | -177.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P157 V158 | P157-G160 WeakPolarHBondContact CG-O 3.43Å; P157-G160 WeakPolarHBondContact O-CA 3.34Å; P157-G160 PolarHBondContact O-N 3.01Å; V158-G160 PolarHBondContact O-N 2.77Å | ||
| 161 | L | 86.1 | Confident | 86.4 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 19% | 0.194 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -79.7 | 150.3 | 173.7 | -65.2 | 177.8 | 0 | 0 | 0 | 110.6 | A9 K150 V152 P156 K163 F166 | A9-L161 HydrophobicContact CB-CD1 3.59Å; A9-L161 HydrophobicContact CB-CG 3.92Å; K150-L161 HydrophobicContact CB-CD1 4.41Å; K150-L161 HydrophobicContact CD-CD1 4.08Å; V152-L161 HydrophobicContact CG1-CD1 3.97Å; P156-L161 HydrophobicContact CB-CD2 4.21Å; P156-L161 HydrophobicContact CB-CG 4.38Å; L161-K163 PolarHBondContact O-N 2.95Å; L161-F166 HydrophobicContact CB-CE2 3.9Å; L161-F166 HydrophobicContact CB-CZ 4.05Å; L161-F166 HydrophobicContact CD1-CZ 4.46Å |
| 162 | P | 84.6 | Confident | 86.2 | Confident | 78 Ų | 78 | 76.8 Ų | 76.8 | 51% | 0.506 | 41% | 0.41 | S | S | . | . | trans | -56.6 | 136.4 | 175.1 | -21.7 | 31.6 | 0 | 0 | 0 | 111.1 | S164 S165 | P162-S164 PolarHBondContact O-N 3.36Å; P162-S164 VanDerWaalsContact O-N 3.09Å; P162-S165 VanDerWaalsContact O-CB 3.25Å; P162-S165 WeakPolarHBondContact O-CB 3.29Å; P162-S165 PolarHBondContact O-N 3.27Å; P162-S165 PolarHBondContact O-OG 2.95Å | ||
| 163 | K | 82.3 | Confident | 86.2 | Confident | 167 Ų | 167 | 78 Ų | 78 | 73% | 0.726 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -53.2 | -33.8 | 176.8 | -73.3 | -168.1 | 174.5 | -169.8 | 0 | 113.2 | L161 S165 F166 | L161-K163 PolarHBondContact O-N 2.95Å; K163-S165 PolarHBondContact O-N 3.34Å; K163-F166 PolarHBondContact O-N 3.43Å |
| 164 | S | 83.3 | Confident | 86.3 | Confident | 112 Ų | 112 | 76.8 Ų | 76.8 | 78% | 0.783 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -64.8 | -14.9 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 114.8 | P162 | P162-S164 PolarHBondContact O-N 3.36Å; P162-S164 VanDerWaalsContact O-N 3.09Å |
| 165 | S | 85.5 | Confident | 86.4 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -83.9 | -11.9 | 178.1 | 76.4 | 0 | 0 | 0 | 0 | 113.7 | K150 P162 K163 | K150-S165 PolarHBondContact NZ-O 3.33Å; P162-S165 VanDerWaalsContact O-CB 3.25Å; P162-S165 WeakPolarHBondContact O-CB 3.29Å; P162-S165 PolarHBondContact O-N 3.27Å; P162-S165 PolarHBondContact O-OG 2.95Å; K163-S165 PolarHBondContact O-N 3.34Å |
| 166 | F | 90.1 | Very high | 86.7 | Confident | 20 Ų | 20 | 69.3 Ų | 69.3 | 9% | 0.088 | 38% | 0.378 | C | S | . | . | trans | -91.9 | 130.3 | 174.2 | -61.6 | -90.1 | 0 | 0 | 0 | 109.3 | A9 L10 E11 L148 K150 L161 K163 | A9-F166 WeakPolarHBondContact O-CE1 3.37Å; L10-F166 WeakPolarHBondContact O-CZ 3.47Å; E11-F166 HydrophobicContact CB-CD1 4.31Å; E11-F166 HydrophobicContact CB-CD2 4.19Å; E11-F166 HydrophobicContact CB-CE1 4.4Å; E11-F166 HydrophobicContact CB-CE2 4.28Å; E11-F166 HydrophobicContact CB-CG 4.2Å; E11-F166 HydrophobicContact CB-CZ 4.39Å; L148-F166 HydrophobicContact CB-CB 4Å; L148-F166 HydrophobicContact CB-CD1 3.98Å; L148-F166 HydrophobicContact CB-CG 4.29Å; L148-F166 HydrophobicContact CD1-CB 3.95Å; K150-F166 HydrophobicContact CB-CD1 4.35Å; K150-F166 HydrophobicContact CB-CE1 3.98Å; L161-F166 HydrophobicContact CB-CE2 3.9Å; L161-F166 HydrophobicContact CB-CZ 4.05Å; L161-F166 HydrophobicContact CD1-CZ 4.46Å; K163-F166 PolarHBondContact O-N 3.43Å | ||
| 167 | V | 86.7 | Confident | 87 | Confident | 104 Ų | 104 | 73.1 Ų | 73.1 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | trans | -112.8 | 116.1 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | P169 | V167-P169 VanDerWaalsContact O-CD 3.28Å; V167-P169 WeakPolarHBondContact O-CD 3.42Å | ||
| 168 | D | 90.5 | Very high | 87.5 | Confident | 61 Ų | 61 | 69.9 Ų | 69.9 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | trans | -69.4 | 115 | 177.8 | -175.4 | -2.3 | 0 | 0 | 0 | 110.5 | L148 N170 V171 | L148-D168 HydrophobicContact CD1-CB 3.94Å; L148-D168 HydrophobicContact CD2-CB 4.2Å; D168-N170 PolarHBondContact O-N 3.1Å; D168-N170 VanDerWaalsContact OD1-CB 3.32Å; D168-N170 WeakPolarHBondContact OD1-CB 3.17Å; D168-N170 PolarHBondContact OD1-N 3.22Å; D168-N170 PolarHBondContact OD1-ND2 3.1Å; D168-V171 HydrophobicContact CB-CG2 4.01Å; D168-V171 PolarHBondContact O-N 3.05Å | ||
| 169 | P | 90.7 | Very high | 88.2 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.019 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -64.6 | -25.4 | 176.9 | 30.6 | -38.1 | 0 | 0 | 0 | 112.7 | E37 G58 V167 V171 R172 L174 | E37-P169 HydrophobicContact CB-CG 3.87Å; G58-P169 WeakPolarHBondContact O-CG 3.45Å; V167-P169 VanDerWaalsContact O-CD 3.28Å; V167-P169 WeakPolarHBondContact O-CD 3.42Å; P169-V171 PolarHBondContact O-N 3.22Å; P169-R172 WeakPolarHBondContact O-CB 3.2Å; P169-R172 PolarHBondContact O-N 3.25Å; P169-R172 VanDerWaalsContact O-N 3.1Å; P169-L174 HydrophobicContact CB-CD1 4.28Å |
| 170 | N | 88.8 | Confident | 88.8 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -74.2 | -10.2 | -176.2 | -66.1 | -62.3 | 0 | 0 | 0 | 113.9 | E37 D168 R172 | E37-N170 PolarHBondContact OE2-ND2 3.35Å; D168-N170 PolarHBondContact O-N 3.1Å; D168-N170 VanDerWaalsContact OD1-CB 3.32Å; D168-N170 WeakPolarHBondContact OD1-CB 3.17Å; D168-N170 PolarHBondContact OD1-N 3.22Å; D168-N170 PolarHBondContact OD1-ND2 3.1Å; N170-R172 VanDerWaalsContact C-N 3.31Å |
| 171 | V | 89.2 | Confident | 89.3 | Confident | 123 Ų | 123 | 60.9 Ų | 60.9 | 75% | 0.745 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -77.6 | -21.1 | 170.4 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | D168 P169 | D168-V171 HydrophobicContact CB-CG2 4.01Å; D168-V171 PolarHBondContact O-N 3.05Å; P169-V171 PolarHBondContact O-N 3.22Å |
| 172 | R | 90.2 | Very high | 89.6 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -86.1 | 149.9 | 177 | -57.7 | -175.1 | -68.9 | 143 | -6.3 | 109.9 | P169 N170 L174 E177 | P169-R172 WeakPolarHBondContact O-CB 3.2Å; P169-R172 PolarHBondContact O-N 3.25Å; P169-R172 VanDerWaalsContact O-N 3.1Å; N170-R172 VanDerWaalsContact C-N 3.31Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 HydrophobicContact CB-CD2 4.06Å; R172-L174 PolarHBondContact O-N 3.38Å; R172-E177 IonicContact CZ-OE1 3.09Å; R172-E177 IonicContact CZ-OE2 3Å; R172-E177 IonicContact NE-OE1 2.62Å; R172-E177 IonicContact NH1-OE1 3.85Å; R172-E177 PolarHBondContact NH1-OE1 3.5Å; R172-E177 IonicContact NH1-OE2 4Å; R172-E177 PolarHBondContact NH1-OE2 3.36Å |
| 173 | N | 91 | Very high | 89.9 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 20% | 0.198 | 34% | 0.344 | C | S | . | . | trans | -80.2 | 84.5 | 170 | -174.8 | -34.6 | 0 | 0 | 0 | 108.9 | A175 K176 E177 W223 S246 | N173-A175 VanDerWaalsContact C-N 3.3Å; N173-A175 PolarHBondContact O-N 3.45Å; N173-A175 PolarHBondContact OD1-N 3.04Å; N173-K176 HydrophobicContact CB-CB 4.16Å; N173-K176 WeakPolarHBondContact O-CB 3.27Å; N173-K176 PolarHBondContact O-N 3.22Å; N173-K176 VanDerWaalsContact OD1-CB 3.23Å; N173-K176 WeakPolarHBondContact OD1-CB 3.37Å; N173-K176 PolarHBondContact OD1-N 3.36Å; N173-E177 PolarHBondContact O-N 3.4Å; N173-W223 WeakPolarHBondContact ND2-CH2 3.24Å; N173-W223 WeakPolarHBondContact ND2-CZ3 3.37Å; N173-S246 PolarHBondContact ND2-O 3.17Å | ||
| 174 | L | 92.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.9 | -29.7 | -176.8 | -60.1 | 176.8 | 0 | 0 | 0 | 112.5 | P169 R172 K176 E177 C178 P241 | P169-L174 HydrophobicContact CB-CD1 4.28Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 HydrophobicContact CB-CD2 4.06Å; R172-L174 PolarHBondContact O-N 3.38Å; L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 3.04Å; L174-E177 PolarHBondContact O-N 3.1Å; L174-E177 VanDerWaalsContact O-N 3.17Å; L174-C178 WeakPolarHBondContact O-CB 3.25Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 PolarHBondContact O-SG 3.49Å; L174-P241 HydrophobicContact CB-CB 4.01Å; L174-P241 HydrophobicContact CB-CG 3.66Å; L174-P241 HydrophobicContact CD1-CB 4.13Å |
| 175 | A | 90.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N173 C178 S179 C201 W223 L270 | N173-A175 VanDerWaalsContact C-N 3.3Å; N173-A175 PolarHBondContact O-N 3.45Å; N173-A175 PolarHBondContact OD1-N 3.04Å; A175-C178 PolarHBondContact O-N 2.79Å; A175-S179 VanDerWaalsContact O-CB 3.26Å; A175-S179 WeakPolarHBondContact O-CB 3.44Å; A175-S179 PolarHBondContact O-N 2.97Å; A175-C201 WeakPolarHBondContact CA-O 3.29Å; A175-C201 HydrophobicContact CB-CB 4.09Å; A175-W223 HydrophobicContact CB-CE3 4.23Å; A175-L270 HydrophobicContact CB-CD2 4.18Å |
| 176 | K | 91.8 | Very high | 90.8 | Very high | 122 Ų | 122 | 62.6 Ų | 62.6 | 53% | 0.53 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 173.6 | 177.9 | -179.2 | 177.5 | -176.7 | 0 | 112.8 | N173 L174 K181 W223 | N173-K176 HydrophobicContact CB-CB 4.16Å; N173-K176 WeakPolarHBondContact O-CB 3.27Å; N173-K176 PolarHBondContact O-N 3.22Å; N173-K176 VanDerWaalsContact OD1-CB 3.23Å; N173-K176 WeakPolarHBondContact OD1-CB 3.37Å; N173-K176 PolarHBondContact OD1-N 3.36Å; L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 3.04Å; K176-K181 PolarHBondContact O-NZ 3.43Å; K176-W223 HydrophobicContact CB-CD2 4.08Å; K176-W223 HydrophobicContact CB-CH2 4.49Å; K176-W223 HydrophobicContact CB-CZ2 3.77Å; K176-W223 HydrophobicContact CD-CZ2 4.06Å; K176-W223 HydrophobicContact CG-CZ2 4.03Å |
| 177 | E | 92.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 63.8 Ų | 63.8 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 178.2 | -69.1 | -176.7 | -163.1 | 0 | 0 | 110.2 | R172 N173 L174 K181 | R172-E177 IonicContact CZ-OE1 3.09Å; R172-E177 IonicContact CZ-OE2 3Å; R172-E177 IonicContact NE-OE1 2.62Å; R172-E177 IonicContact NH1-OE1 3.85Å; R172-E177 PolarHBondContact NH1-OE1 3.5Å; R172-E177 IonicContact NH1-OE2 4Å; R172-E177 PolarHBondContact NH1-OE2 3.36Å; N173-E177 PolarHBondContact O-N 3.4Å; L174-E177 PolarHBondContact O-N 3.1Å; L174-E177 VanDerWaalsContact O-N 3.17Å; E177-K181 PolarHBondContact O-NZ 2.83Å |
| 178 | C | 93 | Very high | 90.4 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 5% | 0.054 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.3 | -43.5 | -176.5 | -63 | 0 | 0 | 0 | 0 | 112.6 | R54 S57 L174 A175 | R54-C178 PolarHBondContact NH1-O 3.25Å; R54-C178 PolarHBondContact NH2-O 2.94Å; S57-C178 PolarHBondContact OG-SG 3.44Å; L174-C178 WeakPolarHBondContact O-CB 3.25Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 PolarHBondContact O-SG 3.49Å; A175-C178 PolarHBondContact O-N 2.79Å |
| 179 | S | 93.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.028 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -40.7 | 139.6 | -178.2 | 175.2 | 0 | 0 | 0 | 0 | 114.9 | A175 K181 D200 P222 W223 | A175-S179 VanDerWaalsContact O-CB 3.26Å; A175-S179 WeakPolarHBondContact O-CB 3.44Å; A175-S179 PolarHBondContact O-N 2.97Å; S179-K181 WeakPolarHBondContact O-CE 3.28Å; S179-K181 PolarHBondContact O-NZ 2.87Å; S179-D200 WeakPolarHBondContact CA-O 3.5Å; S179-D200 WeakPolarHBondContact CA-OD2 3.4Å; S179-D200 WeakPolarHBondContact CB-O 3.17Å; S179-D200 PolarHBondContact OG-O 2.74Å; S179-P222 VanDerWaalsContact OG-CA 3.3Å; S179-P222 WeakPolarHBondContact OG-CA 3.4Å; S179-W223 PolarHBondContact OG-N 2.79Å |
| 180 | V | 92.4 | Very high | 88.8 | Confident | 11 Ų | 11 | 71.4 Ų | 71.4 | 7% | 0.067 | 36% | 0.362 | C | S | . | . | trans | -51.3 | 146 | 163 | -68.8 | 0 | 0 | 0 | 0 | 110 | W89 D200 L220 P222 | W89-V180 HydrophobicContact CH2-CG1 4.11Å; V180-D200 WeakPolarHBondContact CG1-OD2 3.25Å; V180-D200 HydrophobicContact CG2-CB 4Å; V180-D200 PolarHBondContact N-OD2 2.96Å; V180-L220 HydrophobicContact CG1-CD2 3.74Å; V180-L220 HydrophobicContact CG1-CG 4.44Å; V180-L220 HydrophobicContact CG2-CD2 4.29Å; V180-L220 HydrophobicContact CG2-CG 4.08Å; V180-P222 HydrophobicContact CG2-CG 4.49Å; V180-P222 WeakPolarHBondContact O-CB 3.32Å | ||
| 181 | K | 91.9 | Very high | 88.1 | Confident | 146 Ų | 146 | 72 Ų | 72 | 64% | 0.635 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -91.6 | -22.2 | -176.6 | -53.6 | -50.9 | 178.2 | -142.6 | 0 | 112.7 | K176 E177 S179 | K176-K181 PolarHBondContact O-NZ 3.43Å; E177-K181 PolarHBondContact O-NZ 2.83Å; S179-K181 WeakPolarHBondContact O-CE 3.28Å; S179-K181 PolarHBondContact O-NZ 2.87Å |
| 182 | E | 91.3 | Very high | 87.6 | Confident | 152 Ų | 152 | 76.9 Ų | 76.9 | 71% | 0.71 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -132.3 | 156 | -178.6 | -64.1 | -178 | 178.7 | 0 | 0 | 109.9 | ||
| 183 | R | 90.1 | Very high | 87.3 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 53% | 0.525 | 38% | 0.38 | S | S | . | . | trans | -63.8 | 132.9 | 174.4 | 173.8 | -178.6 | 178.9 | -167.7 | 5 | 110.2 | T219 L220 L221 | R183-T219 HydrophobicContact CG-CG2 3.74Å; R183-L220 WeakPolarHBondContact CA-O 3.36Å; R183-L221 HydrophobicContact CB-CD2 4.34Å; R183-L221 HydrophobicContact CG-CD2 3.98Å | ||
| 184 | Q | 91 | Very high | 87.3 | Confident | 67 Ų | 67 | 72.5 Ų | 72.5 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 145.9 | 175.6 | -60.5 | 176.4 | 0.7 | 0 | 0 | 110 | Y186 T219 L220 | Q184-Y186 HydrophobicContact CB-CE2 3.74Å; Q184-Y186 PolarHBondContact OE1-OH 3.09Å; Q184-T219 CarbonylContact O-C 3.53Å; Q184-T219 WeakPolarHBondContact O-CA 3.45Å; Q184-L220 HydrophobicContact CB-CB 4.31Å; Q184-L220 PolarHBondContact N-O 3.43Å; Q184-L220 PolarHBondContact O-N 3.19Å |
| 185 | V | 90.4 | Very high | 87.3 | Confident | 68 Ų | 68 | 77.1 Ų | 77.1 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128 | -178.8 | -178.1 | 0 | 0 | 0 | 0 | 109 | P189 V218 T219 | V185-P189 HydrophobicContact CG1-CB 4.36Å; V185-P189 HydrophobicContact CG1-CG 4.44Å; V185-V218 CarbonylContact C-O 3.58Å; V185-V218 WeakPolarHBondContact CA-O 3.3Å; V185-T219 HydrophobicContact CG2-CG2 4.41Å |
| 186 | Y | 90.4 | Very high | 87.5 | Confident | 38 Ų | 38 | 77.2 Ų | 77.2 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153 | 178.9 | -61.6 | -91.8 | 0 | 0 | 0 | 110.2 | L83 M90 Q184 L208 V218 L220 | L83-Y186 HydrophobicContact CD2-CD1 4.28Å; L83-Y186 HydrophobicContact CD2-CE1 3.72Å; M90-Y186 VanDerWaalsContact CE-OH 3.27Å; M90-Y186 WeakPolarHBondContact CE-OH 3.43Å; Q184-Y186 HydrophobicContact CB-CE2 3.74Å; Q184-Y186 PolarHBondContact OE1-OH 3.09Å; Y186-L208 HydrophobicContact CD1-CD2 4.09Å; Y186-L208 HydrophobicContact CD2-CD1 4.14Å; Y186-L208 HydrophobicContact CD2-CD2 3.77Å; Y186-L208 HydrophobicContact CE1-CD2 4.17Å; Y186-L208 HydrophobicContact CE2-CD2 3.86Å; Y186-L208 HydrophobicContact CG-CD1 4.25Å; Y186-L208 HydrophobicContact CG-CD2 3.9Å; Y186-V218 PolarHBondContact N-O 3.22Å; Y186-V218 PolarHBondContact O-N 3.34Å; Y186-L220 HydrophobicContact CE2-CB 4.3Å; Y186-L220 HydrophobicContact CE2-CD2 4.31Å |
| 187 | G | 86 | Confident | 87.6 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 77.6 | -168.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P189 | G187-P189 WeakPolarHBondContact O-CD 3.41Š|
| 188 | N | 81.6 | Confident | 87.7 | Confident | 100 Ų | 100 | 67.1 Ų | 67.1 | 54% | 0.535 | 35% | 0.347 | S | S | . | . | trans | -95.1 | 104.2 | -179.8 | -176.2 | -1.5 | 0 | 0 | 0 | 110.8 | N190 G191 | N188-N190 PolarHBondContact O-N 3.49Å; N188-N190 VanDerWaalsContact O-N 3.16Å; N188-N190 WeakPolarHBondContact OD1-CA 3.41Å; N188-N190 PolarHBondContact OD1-N 3.23Å; N188-G191 VanDerWaalsContact CG-N 3.32Å; N188-G191 WeakPolarHBondContact O-CA 3.18Å; N188-G191 PolarHBondContact O-N 2.94Å; N188-G191 PolarHBondContact OD1-N 3.22Å | ||
| 189 | P | 71.6 | Confident | 87.8 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.4 | 178.5 | 24.6 | -33.4 | 0 | 0 | 0 | 113.9 | V185 G187 S217 | V185-P189 HydrophobicContact CG1-CB 4.36Å; V185-P189 HydrophobicContact CG1-CG 4.44Å; G187-P189 WeakPolarHBondContact O-CD 3.41Å; P189-S217 VanDerWaalsContact CA-OG 3.28Å; P189-S217 WeakPolarHBondContact CA-OG 3.13Å |
| 190 | N | 75.9 | Confident | 87.9 | Confident | 153 Ų | 153 | 66.5 Ų | 66.5 | 82% | 0.818 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 7.5 | 173.3 | -60.6 | -38.8 | 0 | 0 | 0 | 112.4 | N188 | N188-N190 PolarHBondContact O-N 3.49Å; N188-N190 VanDerWaalsContact O-N 3.16Å; N188-N190 WeakPolarHBondContact OD1-CA 3.41Å; N188-N190 PolarHBondContact OD1-N 3.23Å |
| 191 | G | 74.5 | Confident | 87.9 | Confident | 32 Ų | 32 | 66 Ų | 66 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -73 | 169.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N188 G193 | N188-G191 VanDerWaalsContact CG-N 3.32Å; N188-G191 WeakPolarHBondContact O-CA 3.18Å; N188-G191 PolarHBondContact O-N 2.94Å; N188-G191 PolarHBondContact OD1-N 3.22Å; G191-G193 PolarHBondContact O-N 3Å |
| 192 | K | 78.3 | Confident | 88 | Confident | 225 Ų | 225 | 59.1 Ų | 59.1 | 98% | 0.978 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -77.7 | -7.2 | 174.1 | -68.5 | -175 | 177.8 | -179.3 | 0 | 113.7 | ||
| 193 | G | 84 | Confident | 88.1 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -74.8 | 160.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | G191 G215 | G191-G193 PolarHBondContact O-N 3Å; G193-G215 WeakPolarHBondContact CA-O 3.34Å |
| 194 | P | 90.2 | Very high | 88.3 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | trans | -69.6 | 146.8 | -179.9 | 30.3 | -35.1 | 0 | 0 | 0 | 111.8 | S217 M371 I374 | P194-S217 PolarHBondContact O-N 2.95Å; P194-M371 HydrophobicContact CG-CE 3.42Å; P194-M371 VanDerWaalsContact CG-CE 3.42Å; P194-M371 HydrophobicContact CG-SD 4.18Å; P194-I374 HydrophobicContact CB-CD1 3.8Å; P194-I374 HydrophobicContact CB-CG2 3.87Å; P194-I374 HydrophobicContact CG-CD1 3.89Å | ||
| 195 | R | 92.6 | Very high | 88.4 | Confident | 100 Ų | 100 | 42 Ų | 42 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 115.5 | 174 | -59.2 | 170 | -65 | 159.9 | 5 | 109.3 | S217 E230 D233 A234 | R195-S217 CarbonylContact C-O 3.53Å; R195-S217 WeakPolarHBondContact CA-O 3.48Å; R195-E230 PolarHBondContact NH1-O 3.07Å; R195-D233 VanDerWaalsContact CB-OD2 3.28Å; R195-D233 WeakPolarHBondContact CB-OD2 3.46Å; R195-D233 IonicContact CZ-OD1 3.61Å; R195-D233 IonicContact CZ-OD2 3.77Å; R195-D233 PolarHBondContact N-OD2 3.21Å; R195-D233 IonicContact NE-OD1 3.01Å; R195-D233 IonicContact NE-OD2 3.02Å; R195-D233 PolarHBondContact NE-OD2 3.23Å; R195-D233 VanDerWaalsContact NE-OD2 3.15Å; R195-D233 IonicContact NH2-OD1 3.63Å; R195-D233 PolarHBondContact NH2-OD1 2.84Å; R195-D233 IonicContact NH2-OD2 3.48Å; R195-D233 PolarHBondContact O-N 3.49Å; R195-A234 PolarHBondContact O-N 3.36Å |
| 196 | I | 94.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.9 | -177.6 | -57 | -179.4 | 0 | 0 | 0 | 108.8 | I198 L211 A216 S217 V218 T219 A234 F236 F370 M371 I374 | I196-I198 HydrophobicContact CG2-CG1 4.43Å; I196-L211 HydrophobicContact CD1-CD2 3.83Å; I196-L211 HydrophobicContact CG2-CD1 4.36Å; I196-A216 HydrophobicContact CD1-CB 3.51Å; I196-A216 HydrophobicContact CG1-CB 4.12Å; I196-S217 PolarHBondContact N-O 3.12Å; I196-V218 CarbonylContact O-C 3.5Å; I196-V218 WeakPolarHBondContact O-CA 3.47Å; I196-T219 PolarHBondContact O-N 2.88Å; I196-A234 WeakPolarHBondContact CA-O 3.44Å; I196-F236 HydrophobicContact CG2-CB 3.97Å; I196-F370 HydrophobicContact CD1-CE1 3.98Å; I196-F370 HydrophobicContact CG2-CE1 4.07Å; I196-F370 HydrophobicContact CG2-CZ 4.41Å; I196-M371 HydrophobicContact CD1-SD 3.59Å; I196-M371 VanDerWaalsContact CD1-SD 3.59Å; I196-I374 HydrophobicContact CD1-CD1 4.26Å; I196-I374 HydrophobicContact CG1-CD1 4.39Å |
| 197 | A | 94.5 | Very high | 88.7 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T219 L221 F232 A234 L235 F236 | A197-T219 WeakPolarHBondContact CA-O 3.15Å; A197-L221 HydrophobicContact CB-CD1 4.01Å; A197-F232 HydrophobicContact CB-CB 3.62Å; A197-F232 HydrophobicContact CB-CD1 3.74Å; A197-F232 HydrophobicContact CB-CD2 4.26Å; A197-F232 HydrophobicContact CB-CE1 4.49Å; A197-F232 HydrophobicContact CB-CG 3.6Å; A197-A234 PolarHBondContact N-O 3.45Å; A197-L235 HydrophobicContact CB-CD1 4.33Å; A197-F236 PolarHBondContact O-N 3.46Å |
| 198 | I | 95.3 | Very high | 89 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.7 | 171.5 | -57.2 | 176.9 | 0 | 0 | 0 | 109.3 | I196 L203 L208 L211 V218 T219 L220 L221 F236 | I196-I198 HydrophobicContact CG2-CG1 4.43Å; I198-L203 HydrophobicContact CD1-CD1 4Å; I198-L203 HydrophobicContact CG2-CD1 3.55Å; I198-L208 HydrophobicContact CD1-CD1 4.38Å; I198-L211 HydrophobicContact CD1-CD1 3.74Å; I198-L211 HydrophobicContact CG1-CD1 4.3Å; I198-V218 HydrophobicContact CD1-CG1 3.33Å; I198-V218 HydrophobicContact CG1-CG1 3.68Å; I198-T219 PolarHBondContact N-O 2.82Å; I198-L220 HydrophobicContact CB-CD1 3.85Å; I198-L220 HydrophobicContact CG2-CD1 3.82Å; I198-L221 WeakPolarHBondContact O-CB 3.23Å; I198-L221 PolarHBondContact O-N 3.29Å; I198-F236 WeakPolarHBondContact CA-O 3.35Å; I198-F236 HydrophobicContact CD1-CD1 4.36Å; I198-F236 HydrophobicContact CG1-CB 4Å; I198-F236 HydrophobicContact CG1-CD1 4.05Å; I198-F236 HydrophobicContact CG1-CG 4.31Å; I198-F236 HydrophobicContact CG2-CD1 3.97Å |
| 199 | L | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 110.7 | 165.4 | -70.9 | -178.6 | 0 | 0 | 0 | 109.6 | C201 L221 A225 L227 L235 F236 L237 S238 I250 V254 | L199-C201 PolarHBondContact O-N 2.87Å; L199-L221 HydrophobicContact CD2-CB 4.16Å; L199-L221 HydrophobicContact CD2-CD1 4.39Å; L199-A225 HydrophobicContact CD2-CB 4.17Å; L199-L227 HydrophobicContact CD1-CD1 4.09Å; L199-L227 HydrophobicContact CD1-CD2 4.48Å; L199-L227 HydrophobicContact CD2-CD2 3.87Å; L199-L227 HydrophobicContact CD2-CG 4.49Å; L199-L227 HydrophobicContact CG-CD2 4.23Å; L199-L235 HydrophobicContact CG-CD1 4.32Å; L199-F236 PolarHBondContact N-O 3.26Å; L199-F236 VanDerWaalsContact N-O 3.07Å; L199-L237 HydrophobicContact CB-CD2 4.43Å; L199-L237 HydrophobicContact CD1-CD2 3.89Å; L199-L237 HydrophobicContact CG-CD2 4.44Å; L199-S238 WeakPolarHBondContact O-CB 3.35Å; L199-S238 PolarHBondContact O-N 3.15Å; L199-S238 PolarHBondContact O-OG 2.48Å; L199-S238 VanDerWaalsContact O-OG 3.05Å; L199-I250 HydrophobicContact CD1-CG2 3.81Å; L199-V254 HydrophobicContact CD1-CG2 4.44Å |
| 200 | D | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 98.8 | -179.4 | 179.2 | 16 | 0 | 0 | 0 | 111.8 | R54 S179 V180 G202 L203 L220 L221 W223 | R54-D200 IonicContact NH1-OD1 3.36Å; R54-D200 IonicContact NH1-OD2 2.57Å; R54-D200 PolarHBondContact NH1-OD2 2.8Å; S179-D200 WeakPolarHBondContact CA-O 3.5Å; S179-D200 WeakPolarHBondContact CA-OD2 3.4Å; S179-D200 WeakPolarHBondContact CB-O 3.17Å; S179-D200 PolarHBondContact OG-O 2.74Å; V180-D200 WeakPolarHBondContact CG1-OD2 3.25Å; V180-D200 HydrophobicContact CG2-CB 4Å; V180-D200 PolarHBondContact N-OD2 2.96Å; D200-G202 WeakPolarHBondContact OD1-CA 3.47Å; D200-G202 PolarHBondContact OD1-N 2.6Å; D200-L203 VanDerWaalsContact OD1-CB 3.3Å; D200-L203 WeakPolarHBondContact OD1-CB 3.24Å; D200-L203 PolarHBondContact OD1-N 3.24Å; D200-L220 HydrophobicContact CB-CD1 3.81Å; D200-L220 HydrophobicContact CB-CG 4.25Å; D200-L221 WeakPolarHBondContact CB-O 3.47Å; D200-L221 PolarHBondContact N-O 2.89Å; D200-W223 WeakPolarHBondContact O-CB 3.35Å; D200-W223 PolarHBondContact O-N 3.22Å |
| 201 | C | 93.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -95.2 | 12 | 172.2 | -57.1 | 0 | 0 | 0 | 0 | 113.1 | A175 L199 S238 N239 G240 P241 I250 L270 | A175-C201 WeakPolarHBondContact CA-O 3.29Å; A175-C201 HydrophobicContact CB-CB 4.09Å; L199-C201 PolarHBondContact O-N 2.87Å; C201-S238 PolarHBondContact N-OG 2.8Å; C201-N239 CarbonylContact C-O 3.54Å; C201-G240 WeakPolarHBondContact O-CA 3.3Å; C201-P241 WeakPolarHBondContact O-CD 3.3Å; C201-I250 VanDerWaalsContact SG-CD1 3.56Å; C201-L270 HydrophobicContact CB-CD2 3.76Å |
| 202 | G | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 118.1 | 42.6 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R54 D200 N239 | R54-G202 WeakPolarHBondContact CB-O 3.37Å; D200-G202 WeakPolarHBondContact OD1-CA 3.47Å; D200-G202 PolarHBondContact OD1-N 2.6Å; G202-N239 CarbonylContact C-O 3.28Å; G202-N239 VanDerWaalsContact C-O 3.28Å; G202-N239 PolarHBondContact O-ND2 2.95Å |
| 203 | L | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -58.6 | 135.8 | -175.7 | 173.9 | 131.2 | 0 | 0 | 0 | 112.9 | I198 D200 L205 Q207 L208 L220 N239 | I198-L203 HydrophobicContact CD1-CD1 4Å; I198-L203 HydrophobicContact CG2-CD1 3.55Å; D200-L203 VanDerWaalsContact OD1-CB 3.3Å; D200-L203 WeakPolarHBondContact OD1-CB 3.24Å; D200-L203 PolarHBondContact OD1-N 3.24Å; L203-L205 HydrophobicContact CD2-CD2 4.17Å; L203-Q207 HydrophobicContact CD1-CB 4.08Å; L203-Q207 HydrophobicContact CG-CB 4.42Å; L203-L208 HydrophobicContact CD2-CB 4.46Å; L203-L220 HydrophobicContact CD1-CD1 4.09Å; L203-N239 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 204 | K | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -73.1 | 125.6 | 158.9 | -79.2 | 174.1 | -176.6 | -175.9 | 0 | 110.7 | D53 E88 N206 Q207 N239 H353 E355 H356 | D53-K204 WeakPolarHBondContact OD1-CE 3.32Å; D53-K204 IonicContact OD1-NZ 3.61Å; D53-K204 WeakPolarHBondContact OD2-CE 3.25Å; D53-K204 IonicContact OD2-NZ 2.91Å; D53-K204 PolarHBondContact OD2-NZ 2.89Å; E88-K204 HydrophobicContact CB-CG 4.34Å; E88-K204 HydrophobicContact CG-CG 4.35Å; E88-K204 WeakPolarHBondContact OE2-CB 3.32Å; K204-N206 PolarHBondContact O-N 2.99Å; K204-N206 VanDerWaalsContact O-N 3.08Å; K204-Q207 HydrophobicContact CB-CG 4.19Å; K204-Q207 WeakPolarHBondContact O-CB 3.28Å; K204-Q207 PolarHBondContact O-N 3.43Å; K204-N239 PolarHBondContact N-OD1 3.13Å; K204-H353 PolarHBondContact NZ-CE1 3.18Å; K204-H353 VanDerWaalsContact NZ-CE1 3.34Å; K204-H353 PolarHBondContact NZ-ND1 3.09Å; K204-H353 PolarHBondContact NZ-NE2 3.07Å; K204-E355 HydrophobicContact CB-CG 4.44Å; K204-E355 HydrophobicContact CD-CG 4.34Å; K204-H356 PolarHBondContact NZ-CD2 3.41Å; K204-H356 PolarHBondContact NZ-NE2 3.35Å | ||
| 205 | L | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.9 | -25.4 | 179 | -70.6 | -179 | 0 | 0 | 0 | 113 | L83 P84 E88 W89 M90 L203 Q207 L208 R209 | L83-L205 HydrophobicContact CD2-CD2 4.35Å; P84-L205 HydrophobicContact CG-CD1 4.38Å; E88-L205 WeakPolarHBondContact O-CG 3.37Å; E88-L205 PolarHBondContact O-N 2.85Å; E88-L205 PolarHBondContact OE2-N 3.4Å; W89-L205 HydrophobicContact CE3-CD2 4.13Å; W89-L205 HydrophobicContact CE3-CG 4.1Å; W89-L205 HydrophobicContact CZ3-CD2 4.04Å; M90-L205 HydrophobicContact CE-CD2 3.99Å; M90-L205 HydrophobicContact CG-CD1 4.45Å; M90-L205 HydrophobicContact SD-CD1 4.08Å; L203-L205 HydrophobicContact CD2-CD2 4.17Å; L205-Q207 PolarHBondContact O-N 2.94Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 PolarHBondContact O-N 2.87Å; L205-L208 VanDerWaalsContact O-N 3.07Å; L205-R209 PolarHBondContact O-N 3.4Å |
| 206 | N | 92.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 12.8 Ų | 12.8 | 7% | 0.07 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.7 | -25.7 | 176.3 | -146.1 | 45.9 | 0 | 0 | 0 | 113.5 | E88 K204 L208 R209 C210 E355 H357 | E88-N206 PolarHBondContact OE2-N 2.78Å; E88-N206 VanDerWaalsContact OE2-N 3.08Å; K204-N206 PolarHBondContact O-N 2.99Å; K204-N206 VanDerWaalsContact O-N 3.08Å; N206-L208 VanDerWaalsContact C-N 3.27Å; N206-L208 PolarHBondContact O-N 3.36Å; N206-R209 PolarHBondContact O-N 3.3Å; N206-R209 WeakPolarHBondContact OD1-CD 3.4Å; N206-R209 PolarHBondContact OD1-NH1 2.99Å; N206-C210 PolarHBondContact O-N 3.05Å; N206-C210 PolarHBondContact O-SG 2.93Å; N206-E355 HydrophobicContact CB-CB 4.49Å; N206-E355 WeakPolarHBondContact CB-O 3.42Å; N206-E355 PolarHBondContact ND2-O 3.43Å; N206-H357 HydrophobicContact CB-CB 4.28Å |
| 207 | Q | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 170.8 | -60.5 | -176.7 | -16.3 | 0 | 0 | 111 | L203 K204 L205 L211 F236 S238 N239 E355 | L203-Q207 HydrophobicContact CD1-CB 4.08Å; L203-Q207 HydrophobicContact CG-CB 4.42Å; K204-Q207 HydrophobicContact CB-CG 4.19Å; K204-Q207 WeakPolarHBondContact O-CB 3.28Å; K204-Q207 PolarHBondContact O-N 3.43Å; L205-Q207 PolarHBondContact O-N 2.94Å; Q207-L211 WeakPolarHBondContact O-CG 3.05Å; Q207-L211 PolarHBondContact O-N 3.33Å; Q207-F236 HydrophobicContact CB-CE1 4.07Å; Q207-F236 HydrophobicContact CB-CZ 4.13Å; Q207-F236 HydrophobicContact CG-CE1 4.34Å; Q207-F236 HydrophobicContact CG-CZ 4.34Å; Q207-S238 VanDerWaalsContact OE1-CB 3.26Å; Q207-N239 PolarHBondContact NE2-OD1 3.11Å; Q207-N239 PolarHBondContact OE1-OD1 3.42Å; Q207-E355 HydrophobicContact CB-CG 4.46Å; Q207-E355 HydrophobicContact CG-CB 3.94Å; Q207-E355 HydrophobicContact CG-CG 3.39Å; Q207-E355 PolarHBondContact NE2-OE1 3.47Å |
| 208 | L | 93.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.8 | -44.2 | 176.5 | 179.9 | 62.2 | 0 | 0 | 0 | 110.6 | L83 Y186 I198 L203 L205 N206 L211 L212 V218 | L83-L208 HydrophobicContact CD1-CB 4.4Å; L83-L208 HydrophobicContact CD1-CD2 3.66Å; L83-L208 HydrophobicContact CD1-CG 3.89Å; L83-L208 HydrophobicContact CD2-CD2 3.9Å; L83-L208 HydrophobicContact CG-CD2 4.42Å; Y186-L208 HydrophobicContact CD1-CD2 4.09Å; Y186-L208 HydrophobicContact CD2-CD1 4.14Å; Y186-L208 HydrophobicContact CD2-CD2 3.77Å; Y186-L208 HydrophobicContact CE1-CD2 4.17Å; Y186-L208 HydrophobicContact CE2-CD2 3.86Å; Y186-L208 HydrophobicContact CG-CD1 4.25Å; Y186-L208 HydrophobicContact CG-CD2 3.9Å; I198-L208 HydrophobicContact CD1-CD1 4.38Å; L203-L208 HydrophobicContact CD2-CB 4.46Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 PolarHBondContact O-N 2.87Å; L205-L208 VanDerWaalsContact O-N 3.07Å; N206-L208 VanDerWaalsContact C-N 3.27Å; N206-L208 PolarHBondContact O-N 3.36Å; L208-L211 PolarHBondContact O-N 2.89Å; L208-L212 HydrophobicContact CD1-CD1 3.94Å; L208-L212 HydrophobicContact CD1-CG 4.05Å; L208-L212 HydrophobicContact CD2-CD1 4.48Å; L208-L212 HydrophobicContact CG-CD1 3.76Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 VanDerWaalsContact O-CG 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.2Å; L208-L212 PolarHBondContact O-N 2.56Å; L208-V218 HydrophobicContact CD1-CB 3.66Å; L208-V218 HydrophobicContact CD1-CG1 3.49Å; L208-V218 VanDerWaalsContact CD1-CG1 3.49Å; L208-V218 HydrophobicContact CD1-CG2 3.96Å |
| 209 | R | 92.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 2% | 0.019 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 175.8 | -63.7 | -171 | -153.2 | 99.6 | 7.9 | 112.1 | D79 L83 P84 F87 L205 N206 L211 L212 Q213 | D79-R209 WeakPolarHBondContact OD2-CD 2.97Å; D79-R209 IonicContact OD2-NE 3.54Å; D79-R209 PolarHBondContact OD2-NE 2.98Å; L83-R209 HydrophobicContact CD1-CG 3.95Å; P84-R209 PolarHBondContact O-NH2 2.75Å; F87-R209 PolarHBondContact O-NH2 3.19Å; L205-R209 PolarHBondContact O-N 3.4Å; N206-R209 PolarHBondContact O-N 3.3Å; N206-R209 WeakPolarHBondContact OD1-CD 3.4Å; N206-R209 PolarHBondContact OD1-NH1 2.99Å; R209-L211 PolarHBondContact O-N 2.86Å; R209-L212 PolarHBondContact O-N 3.12Å; R209-Q213 WeakPolarHBondContact O-CB 3.4Å; R209-Q213 VanDerWaalsContact O-CG 3.3Å; R209-Q213 WeakPolarHBondContact O-CG 3.32Å; R209-Q213 PolarHBondContact O-N 3.27Å |
| 210 | C | 93.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.014 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.7 | -37.6 | -179.6 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | N206 R214 F367 | N206-C210 PolarHBondContact O-N 3.05Å; N206-C210 PolarHBondContact O-SG 2.93Å; C210-R214 VanDerWaalsContact O-CD 3.27Å; C210-R214 WeakPolarHBondContact O-CD 3.21Å; C210-R214 WeakPolarHBondContact O-CG 3.33Å; C210-R214 PolarHBondContact O-NH1 3.03Å; C210-F367 HydrophobicContact CB-CB 4.45Å; C210-F367 HydrophobicContact CB-CD1 3.66Å; C210-F367 HydrophobicContact CB-CD2 3.89Å; C210-F367 HydrophobicContact CB-CE1 3.77Å; C210-F367 HydrophobicContact CB-CE2 4Å; C210-F367 HydrophobicContact CB-CG 3.74Å; C210-F367 HydrophobicContact CB-CZ 3.96Å |
| 211 | L | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -75.6 | -42.9 | 177.3 | -67 | 169.4 | 0 | 0 | 0 | 112.4 | I196 I198 Q207 L208 R209 R214 A216 V218 F236 F367 F370 M371 | I196-L211 HydrophobicContact CD1-CD2 3.83Å; I196-L211 HydrophobicContact CG2-CD1 4.36Å; I198-L211 HydrophobicContact CD1-CD1 3.74Å; I198-L211 HydrophobicContact CG1-CD1 4.3Å; Q207-L211 WeakPolarHBondContact O-CG 3.05Å; Q207-L211 PolarHBondContact O-N 3.33Å; L208-L211 PolarHBondContact O-N 2.89Å; R209-L211 PolarHBondContact O-N 2.86Å; L211-R214 PolarHBondContact O-N 2.79Å; L211-A216 HydrophobicContact CB-CB 4.23Å; L211-A216 VanDerWaalsContact O-CB 3.26Å; L211-A216 WeakPolarHBondContact O-CB 3.24Å; L211-A216 PolarHBondContact O-N 2.94Å; L211-V218 HydrophobicContact CB-CG2 4Å; L211-V218 HydrophobicContact CD1-CG2 4.46Å; L211-F236 HydrophobicContact CD1-CD2 4.14Å; L211-F236 HydrophobicContact CD1-CE2 4.31Å; L211-F236 HydrophobicContact CD1-CG 4.29Å; L211-F367 HydrophobicContact CD2-CD1 3.76Å; L211-F367 HydrophobicContact CD2-CE1 4.23Å; L211-F367 HydrophobicContact CG-CD1 3.97Å; L211-F367 HydrophobicContact CG-CE1 4.06Å; L211-F370 HydrophobicContact CD2-CD1 3.89Å; L211-F370 HydrophobicContact CD2-CE1 4.11Å; L211-M371 HydrophobicContact CD2-SD 4.24Å |
| 212 | L | 93.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 15.4 Ų | 15.4 | 5% | 0.052 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | -179.9 | -69 | 174.2 | 0 | 0 | 0 | 112.1 | H81 L83 L208 R209 R214 G215 A216 V218 | H81-L212 HydrophobicContact CB-CD1 3.86Å; H81-L212 WeakPolarHBondContact NE2-CB 3.26Å; L83-L212 HydrophobicContact CD1-CD1 4.17Å; L208-L212 HydrophobicContact CD1-CD1 3.94Å; L208-L212 HydrophobicContact CD1-CG 4.05Å; L208-L212 HydrophobicContact CD2-CD1 4.48Å; L208-L212 HydrophobicContact CG-CD1 3.76Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 VanDerWaalsContact O-CG 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.2Å; L208-L212 PolarHBondContact O-N 2.56Å; R209-L212 PolarHBondContact O-N 3.12Å; L212-R214 PolarHBondContact O-N 2.74Å; L212-G215 WeakPolarHBondContact O-CA 3.41Å; L212-G215 PolarHBondContact O-N 3.01Å; L212-A216 WeakPolarHBondContact CD2-O 3.46Å; L212-V218 HydrophobicContact CD2-CB 4.4Å; L212-V218 HydrophobicContact CD2-CG2 4Å; L212-V218 HydrophobicContact CG-CG2 4.43Å |
| 213 | Q | 90.6 | Very high | 93 | Very high | 123 Ų | 123 | 16.3 Ų | 16.3 | 58% | 0.575 | 9% | 0.09 | S | C | * | . | H | α-helix | trans | -60 | -26.1 | 175.4 | -74.3 | 175 | -4.7 | 0 | 0 | 112.8 | R209 G215 | R209-Q213 WeakPolarHBondContact O-CB 3.4Å; R209-Q213 VanDerWaalsContact O-CG 3.3Å; R209-Q213 WeakPolarHBondContact O-CG 3.32Å; R209-Q213 PolarHBondContact O-N 3.27Å; Q213-G215 VanDerWaalsContact C-N 3.29Å |
| 214 | R | 91.9 | Very high | 92.5 | Very high | 61 Ų | 61 | 19.5 Ų | 19.5 | 23% | 0.23 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 9.5 | 175.5 | -66.6 | 166.9 | 173.7 | 78.1 | 2.7 | 113 | C210 L211 L212 E364 D368 M371 | C210-R214 VanDerWaalsContact O-CD 3.27Å; C210-R214 WeakPolarHBondContact O-CD 3.21Å; C210-R214 WeakPolarHBondContact O-CG 3.33Å; C210-R214 PolarHBondContact O-NH1 3.03Å; L211-R214 PolarHBondContact O-N 2.79Å; L212-R214 PolarHBondContact O-N 2.74Å; R214-E364 IonicContact CZ-OE1 3.6Å; R214-E364 IonicContact NH1-OE1 3.58Å; R214-E364 PolarHBondContact NH1-OE1 2.78Å; R214-E364 IonicContact NH2-OE1 3.67Å; R214-E364 PolarHBondContact NH2-OE1 3.15Å; R214-D368 IonicContact CZ-OD1 2.93Å; R214-D368 IonicContact NE-OD1 3.16Å; R214-D368 PolarHBondContact NE-OD1 3.2Å; R214-D368 IonicContact NH2-OD1 2.84Å; R214-D368 PolarHBondContact NH2-OD1 3.05Å; R214-D368 IonicContact NH2-OD2 2.83Å; R214-M371 HydrophobicContact CB-CE 4.1Å; R214-M371 HydrophobicContact CB-CG 3.98Å; R214-M371 WeakPolarHBondContact O-CE 3.12Å |
| 215 | G | 90.5 | Very high | 92.2 | Very high | 45 Ų | 45 | 20.4 Ų | 20.4 | 46% | 0.464 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 13.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G193 L212 Q213 | G193-G215 WeakPolarHBondContact CA-O 3.34Å; L212-G215 WeakPolarHBondContact O-CA 3.41Å; L212-G215 PolarHBondContact O-N 3.01Å; Q213-G215 VanDerWaalsContact C-N 3.29Å |
| 216 | A | 92.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | trans | -68.8 | 147.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I196 L211 L212 V218 M371 | I196-A216 HydrophobicContact CD1-CB 3.51Å; I196-A216 HydrophobicContact CG1-CB 4.12Å; L211-A216 HydrophobicContact CB-CB 4.23Å; L211-A216 VanDerWaalsContact O-CB 3.26Å; L211-A216 WeakPolarHBondContact O-CB 3.24Å; L211-A216 PolarHBondContact O-N 2.94Å; L212-A216 WeakPolarHBondContact CD2-O 3.46Å; A216-V218 HydrophobicContact CB-CG2 4Å; A216-M371 HydrophobicContact CB-CE 3.96Å; A216-M371 HydrophobicContact CB-SD 4.24Å | ||
| 217 | S | 93.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 118.1 | 160.1 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | P189 P194 R195 I196 | P189-S217 VanDerWaalsContact CA-OG 3.28Å; P189-S217 WeakPolarHBondContact CA-OG 3.13Å; P194-S217 PolarHBondContact O-N 2.95Å; R195-S217 CarbonylContact C-O 3.53Å; R195-S217 WeakPolarHBondContact CA-O 3.48Å; I196-S217 PolarHBondContact N-O 3.12Å |
| 218 | V | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.9 | -170.5 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | V185 Y186 I196 I198 L208 L211 L212 A216 | V185-V218 CarbonylContact C-O 3.58Å; V185-V218 WeakPolarHBondContact CA-O 3.3Å; Y186-V218 PolarHBondContact N-O 3.22Å; Y186-V218 PolarHBondContact O-N 3.34Å; I196-V218 CarbonylContact O-C 3.5Å; I196-V218 WeakPolarHBondContact O-CA 3.47Å; I198-V218 HydrophobicContact CD1-CG1 3.33Å; I198-V218 HydrophobicContact CG1-CG1 3.68Å; L208-V218 HydrophobicContact CD1-CB 3.66Å; L208-V218 HydrophobicContact CD1-CG1 3.49Å; L208-V218 VanDerWaalsContact CD1-CG1 3.49Å; L208-V218 HydrophobicContact CD1-CG2 3.96Å; L211-V218 HydrophobicContact CB-CG2 4Å; L211-V218 HydrophobicContact CD1-CG2 4.46Å; L212-V218 HydrophobicContact CD2-CB 4.4Å; L212-V218 HydrophobicContact CD2-CG2 4Å; L212-V218 HydrophobicContact CG-CG2 4.43Å; A216-V218 HydrophobicContact CB-CG2 4Å |
| 219 | T | 94 | Very high | 89.6 | Confident | 13 Ų | 13 | 36 Ų | 36 | 8% | 0.08 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 108.2 | 166.9 | -62.7 | 0 | 0 | 0 | 0 | 108.9 | R183 Q184 V185 I196 A197 I198 L221 | R183-T219 HydrophobicContact CG-CG2 3.74Å; Q184-T219 CarbonylContact O-C 3.53Å; Q184-T219 WeakPolarHBondContact O-CA 3.45Å; V185-T219 HydrophobicContact CG2-CG2 4.41Å; I196-T219 PolarHBondContact O-N 2.88Å; A197-T219 WeakPolarHBondContact CA-O 3.15Å; I198-T219 PolarHBondContact N-O 2.82Å; T219-L221 HydrophobicContact CG2-CD2 3.72Å; T219-L221 HydrophobicContact CG2-CG 4.06Å |
| 220 | L | 93.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.7 | 172.8 | -171.1 | 65.8 | 0 | 0 | 0 | 109.3 | V180 R183 Q184 Y186 I198 D200 L203 | V180-L220 HydrophobicContact CG1-CD2 3.74Å; V180-L220 HydrophobicContact CG1-CG 4.44Å; V180-L220 HydrophobicContact CG2-CD2 4.29Å; V180-L220 HydrophobicContact CG2-CG 4.08Å; R183-L220 WeakPolarHBondContact CA-O 3.36Å; Q184-L220 HydrophobicContact CB-CB 4.31Å; Q184-L220 PolarHBondContact N-O 3.43Å; Q184-L220 PolarHBondContact O-N 3.19Å; Y186-L220 HydrophobicContact CE2-CB 4.3Å; Y186-L220 HydrophobicContact CE2-CD2 4.31Å; I198-L220 HydrophobicContact CB-CD1 3.85Å; I198-L220 HydrophobicContact CG2-CD1 3.82Å; D200-L220 HydrophobicContact CB-CD1 3.81Å; D200-L220 HydrophobicContact CB-CG 4.25Å; L203-L220 HydrophobicContact CD1-CD1 4.09Å |
| 221 | L | 94.5 | Very high | 87.8 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.5 | -176.1 | -64.3 | 173.6 | 0 | 0 | 0 | 110.5 | R183 A197 I198 L199 D200 T219 A225 L227 | R183-L221 HydrophobicContact CB-CD2 4.34Å; R183-L221 HydrophobicContact CG-CD2 3.98Å; A197-L221 HydrophobicContact CB-CD1 4.01Å; I198-L221 WeakPolarHBondContact O-CB 3.23Å; I198-L221 PolarHBondContact O-N 3.29Å; L199-L221 HydrophobicContact CD2-CB 4.16Å; L199-L221 HydrophobicContact CD2-CD1 4.39Å; D200-L221 WeakPolarHBondContact CB-O 3.47Å; D200-L221 PolarHBondContact N-O 2.89Å; T219-L221 HydrophobicContact CG2-CD2 3.72Å; T219-L221 HydrophobicContact CG2-CG 4.06Å; L221-A225 HydrophobicContact CB-CB 3.73Å; L221-A225 HydrophobicContact CD1-CB 4.25Å; L221-A225 HydrophobicContact CD2-CB 4.45Å; L221-A225 HydrophobicContact CG-CB 4.38Å; L221-L227 HydrophobicContact CD1-CD2 3.94Å |
| 222 | P | 93.2 | Very high | 87.5 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 17% | 0.169 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 146.8 | 167 | -24.9 | 34 | 0 | 0 | 0 | 111.7 | S179 V180 S224 A225 | S179-P222 VanDerWaalsContact OG-CA 3.3Å; S179-P222 WeakPolarHBondContact OG-CA 3.4Å; V180-P222 HydrophobicContact CG2-CG 4.49Å; V180-P222 WeakPolarHBondContact O-CB 3.32Å; P222-S224 PolarHBondContact O-N 2.87Å; P222-A225 WeakPolarHBondContact O-CB 3.47Å; P222-A225 PolarHBondContact O-N 3.4Å |
| 223 | W | 88.5 | Confident | 87.4 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -41.9 | 179.6 | 81.7 | -62.6 | 0 | 0 | 0 | 112.5 | N173 A175 K176 S179 D200 A225 C247 I250 | N173-W223 WeakPolarHBondContact ND2-CH2 3.24Å; N173-W223 WeakPolarHBondContact ND2-CZ3 3.37Å; A175-W223 HydrophobicContact CB-CE3 4.23Å; K176-W223 HydrophobicContact CB-CD2 4.08Å; K176-W223 HydrophobicContact CB-CH2 4.49Å; K176-W223 HydrophobicContact CB-CZ2 3.77Å; K176-W223 HydrophobicContact CD-CZ2 4.06Å; K176-W223 HydrophobicContact CG-CZ2 4.03Å; S179-W223 PolarHBondContact OG-N 2.79Å; D200-W223 WeakPolarHBondContact O-CB 3.35Å; D200-W223 PolarHBondContact O-N 3.22Å; W223-A225 VanDerWaalsContact C-N 3.34Å; W223-A225 PolarHBondContact O-N 2.86Å; W223-C247 HydrophobicContact CZ3-CB 4.45Å; W223-I250 HydrophobicContact CB-CD1 3.7Å; W223-I250 HydrophobicContact CD2-CD1 3.93Å; W223-I250 HydrophobicContact CE3-CD1 3.27Å; W223-I250 HydrophobicContact CE3-CG1 3.81Å; W223-I250 HydrophobicContact CG-CD1 4.18Å; W223-I250 HydrophobicContact CZ3-CD1 4.02Å; W223-I250 HydrophobicContact CZ3-CG1 4.1Å; W223-I250 WeakPolarHBondContact O-CD1 3.49Å; W223-I250 WeakPolarHBondContact O-CG1 3.45Å |
| 224 | S | 83.8 | Confident | 87.6 | Confident | 67 Ų | 67 | 43.7 Ų | 43.7 | 47% | 0.469 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 15.4 | -178.8 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | P222 | P222-S224 PolarHBondContact O-N 2.87Š|
| 225 | A | 87.1 | Confident | 87.7 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 139.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L199 L221 P222 W223 L227 | L199-A225 HydrophobicContact CD2-CB 4.17Å; L221-A225 HydrophobicContact CB-CB 3.73Å; L221-A225 HydrophobicContact CD1-CB 4.25Å; L221-A225 HydrophobicContact CD2-CB 4.45Å; L221-A225 HydrophobicContact CG-CB 4.38Å; P222-A225 WeakPolarHBondContact O-CB 3.47Å; P222-A225 PolarHBondContact O-N 3.4Å; W223-A225 VanDerWaalsContact C-N 3.34Å; W223-A225 PolarHBondContact O-N 2.86Å; A225-L227 PolarHBondContact O-N 2.8Å |
| 226 | R | 86.9 | Confident | 88 | Confident | 180 Ų | 180 | 38.7 Ų | 38.7 | 68% | 0.679 | 19% | 0.192 | S | C | * | . | P | Polyproline II helix | trans | -74.4 | 124.7 | 171.2 | -175.6 | 178.3 | -180 | 167.2 | -1.3 | 108.7 | ||
| 227 | L | 85.3 | Confident | 88.2 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -83.4 | 120.1 | 178.1 | -64 | 178.3 | 0 | 0 | 0 | 109.8 | L199 L221 A225 F232 L235 Q253 V257 | L199-L227 HydrophobicContact CD1-CD1 4.09Å; L199-L227 HydrophobicContact CD1-CD2 4.48Å; L199-L227 HydrophobicContact CD2-CD2 3.87Å; L199-L227 HydrophobicContact CD2-CG 4.49Å; L199-L227 HydrophobicContact CG-CD2 4.23Å; L221-L227 HydrophobicContact CD1-CD2 3.94Å; A225-L227 PolarHBondContact O-N 2.8Å; L227-F232 HydrophobicContact CB-CE1 4.29Å; L227-F232 HydrophobicContact CD2-CE1 4.3Å; L227-L235 HydrophobicContact CD1-CD1 3.75Å; L227-L235 HydrophobicContact CD1-CD2 3.63Å; L227-L235 HydrophobicContact CD1-CG 4.36Å; L227-L235 HydrophobicContact CD2-CD1 3.88Å; L227-Q253 HydrophobicContact CD1-CB 4.15Å; L227-Q253 HydrophobicContact CG-CB 4.32Å; L227-Q253 VanDerWaalsContact N-OE1 3.14Å; L227-V257 HydrophobicContact CB-CG2 4.14Å; L227-V257 HydrophobicContact CD1-CG2 3.71Å |
| 228 | E | 79.2 | Confident | 88.4 | Confident | 90 Ų | 90 | 38.2 Ų | 38.2 | 42% | 0.421 | 19% | 0.188 | S | C | . | . | trans | -111.2 | 126.5 | 175.7 | -68.5 | 179.7 | -175.4 | 0 | 0 | 109.7 | E230 Q231 F232 | E228-E230 PolarHBondContact O-N 2.55Å; E228-Q231 HydrophobicContact CB-CG 4.03Å; E228-Q231 PolarHBondContact O-N 3.2Å; E228-Q231 PolarHBondContact OE2-NE2 3.26Å; E228-F232 WeakPolarHBondContact O-CE1 3.48Å | ||
| 229 | D | 69.1 | Low | 88.4 | Confident | 66 Ų | 66 | 38.2 Ų | 38.2 | 35% | 0.353 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -62.1 | -27.2 | -170.2 | -164.4 | 46.1 | 0 | 0 | 0 | 112.9 | Q231 K263 | D229-Q231 PolarHBondContact O-N 3.12Å; D229-Q231 VanDerWaalsContact O-N 3.16Å; D229-K263 PolarHBondContact O-NZ 3.35Å; D229-K263 WeakPolarHBondContact OD1-CE 3.22Å; D229-K263 IonicContact OD1-NZ 3.31Å; D229-K263 PolarHBondContact OD1-NZ 3.04Å |
| 230 | E | 68.2 | Low | 88.4 | Confident | 173 Ų | 173 | 37.9 Ų | 37.9 | 81% | 0.808 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -75.3 | -10 | -177.4 | -66.6 | 160.1 | -172.1 | 0 | 0 | 113.7 | R195 E228 | R195-E230 PolarHBondContact NH1-O 3.07Å; E228-E230 PolarHBondContact O-N 2.55Å |
| 231 | Q | 78.4 | Confident | 88.4 | Confident | 71 Ų | 71 | 38 Ų | 38 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -95.3 | -15.6 | -166.1 | -59.2 | -167.7 | 9.1 | 0 | 0 | 115.6 | E228 D229 | E228-Q231 HydrophobicContact CB-CG 4.03Å; E228-Q231 PolarHBondContact O-N 3.2Å; E228-Q231 PolarHBondContact OE2-NE2 3.26Å; D229-Q231 PolarHBondContact O-N 3.12Å; D229-Q231 VanDerWaalsContact O-N 3.16Å |
| 232 | F | 89.7 | Confident | 88.1 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | trans | -149.7 | 153.8 | -175.1 | 61.8 | -90.2 | 0 | 0 | 0 | 112.2 | A197 L227 E228 A234 L235 V257 K263 | A197-F232 HydrophobicContact CB-CB 3.62Å; A197-F232 HydrophobicContact CB-CD1 3.74Å; A197-F232 HydrophobicContact CB-CD2 4.26Å; A197-F232 HydrophobicContact CB-CE1 4.49Å; A197-F232 HydrophobicContact CB-CG 3.6Å; L227-F232 HydrophobicContact CB-CE1 4.29Å; L227-F232 HydrophobicContact CD2-CE1 4.3Å; E228-F232 WeakPolarHBondContact O-CE1 3.48Å; F232-A234 VanDerWaalsContact CD2-C 3.49Å; F232-A234 VanDerWaalsContact CD2-O 3.29Å; F232-A234 WeakPolarHBondContact CD2-O 3.3Å; F232-L235 HydrophobicContact CD2-CB 4.41Å; F232-L235 HydrophobicContact CE2-CB 3.88Å; F232-V257 HydrophobicContact CZ-CG2 4.3Å; F232-K263 HydrophobicContact CD2-CD 4Å; F232-K263 HydrophobicContact CE2-CD 3.68Å; F232-K263 HydrophobicContact CZ-CD 4.48Å; F232-K263 WeakPolarHBondContact O-CE 3.45Å; F232-K263 PolarHBondContact O-NZ 2.93Å | ||
| 233 | D | 91.5 | Very high | 88.1 | Confident | 54 Ų | 54 | 38.6 Ų | 38.6 | 29% | 0.289 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -93.8 | -26.7 | 177.5 | -53.5 | -49.2 | 0 | 0 | 0 | 111.7 | R195 I374 | R195-D233 VanDerWaalsContact CB-OD2 3.28Å; R195-D233 WeakPolarHBondContact CB-OD2 3.46Å; R195-D233 IonicContact CZ-OD1 3.61Å; R195-D233 IonicContact CZ-OD2 3.77Å; R195-D233 PolarHBondContact N-OD2 3.21Å; R195-D233 IonicContact NE-OD1 3.01Å; R195-D233 IonicContact NE-OD2 3.02Å; R195-D233 PolarHBondContact NE-OD2 3.23Å; R195-D233 VanDerWaalsContact NE-OD2 3.15Å; R195-D233 IonicContact NH2-OD1 3.63Å; R195-D233 PolarHBondContact NH2-OD1 2.84Å; R195-D233 IonicContact NH2-OD2 3.48Å; R195-D233 PolarHBondContact O-N 3.49Å; D233-I374 HydrophobicContact CB-CG2 4.32Å |
| 234 | A | 93.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 152.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R195 I196 A197 F232 P264 F370 I374 | R195-A234 PolarHBondContact O-N 3.36Å; I196-A234 WeakPolarHBondContact CA-O 3.44Å; A197-A234 PolarHBondContact N-O 3.45Å; F232-A234 VanDerWaalsContact CD2-C 3.49Å; F232-A234 VanDerWaalsContact CD2-O 3.29Å; F232-A234 WeakPolarHBondContact CD2-O 3.3Å; A234-P264 HydrophobicContact CB-CB 4.12Å; A234-P264 HydrophobicContact CB-CG 4.49Å; A234-F370 HydrophobicContact CB-CE1 4.4Å; A234-F370 HydrophobicContact CB-CE2 4.01Å; A234-F370 HydrophobicContact CB-CZ 3.61Å; A234-I374 HydrophobicContact CB-CD1 3.62Å; A234-I374 HydrophobicContact CB-CG1 3.87Å |
| 235 | L | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.5 | 178.6 | 179.2 | 66.7 | 0 | 0 | 0 | 110.1 | A197 L199 L227 F232 L237 V257 P264 V265 F266 F370 | A197-L235 HydrophobicContact CB-CD1 4.33Å; L199-L235 HydrophobicContact CG-CD1 4.32Å; L227-L235 HydrophobicContact CD1-CD1 3.75Å; L227-L235 HydrophobicContact CD1-CD2 3.63Å; L227-L235 HydrophobicContact CD1-CG 4.36Å; L227-L235 HydrophobicContact CD2-CD1 3.88Å; F232-L235 HydrophobicContact CD2-CB 4.41Å; F232-L235 HydrophobicContact CE2-CB 3.88Å; L235-L237 HydrophobicContact CD1-CD2 4.37Å; L235-L237 HydrophobicContact CD2-CD2 3.98Å; L235-L237 HydrophobicContact CG-CD2 4Å; L235-V257 HydrophobicContact CD2-CB 4.21Å; L235-V257 HydrophobicContact CD2-CG1 4.04Å; L235-V257 HydrophobicContact CD2-CG2 4.2Å; L235-P264 PolarHBondContact N-O 3.28Å; L235-V265 HydrophobicContact CB-CG2 4.31Å; L235-V265 HydrophobicContact CD2-CG1 4.41Å; L235-V265 HydrophobicContact CD2-CG2 4.46Å; L235-V265 VanDerWaalsContact O-CA 3.3Å; L235-V265 WeakPolarHBondContact O-CA 3.4Å; L235-F266 PolarHBondContact O-N 2.99Å; L235-F266 VanDerWaalsContact O-N 3.12Å; L235-F370 WeakPolarHBondContact O-CZ 3.42Å |
| 236 | F | 96.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.6 | 176.5 | -173.7 | -79.7 | 0 | 0 | 0 | 109.6 | I196 A197 I198 L199 Q207 L211 F266 I268 F367 F370 | I196-F236 HydrophobicContact CG2-CB 3.97Å; A197-F236 PolarHBondContact O-N 3.46Å; I198-F236 WeakPolarHBondContact CA-O 3.35Å; I198-F236 HydrophobicContact CD1-CD1 4.36Å; I198-F236 HydrophobicContact CG1-CB 4Å; I198-F236 HydrophobicContact CG1-CD1 4.05Å; I198-F236 HydrophobicContact CG1-CG 4.31Å; I198-F236 HydrophobicContact CG2-CD1 3.97Å; L199-F236 PolarHBondContact N-O 3.26Å; L199-F236 VanDerWaalsContact N-O 3.07Å; Q207-F236 HydrophobicContact CB-CE1 4.07Å; Q207-F236 HydrophobicContact CB-CZ 4.13Å; Q207-F236 HydrophobicContact CG-CE1 4.34Å; Q207-F236 HydrophobicContact CG-CZ 4.34Å; L211-F236 HydrophobicContact CD1-CD2 4.14Å; L211-F236 HydrophobicContact CD1-CE2 4.31Å; L211-F236 HydrophobicContact CD1-CG 4.29Å; F236-F266 CarbonylContact C-O 3.54Å; F236-F266 WeakPolarHBondContact CA-O 3.29Å; F236-F266 HydrophobicContact CD2-CB 4.1Å; F236-F266 AromaticContact CD2-CD1 3.8Å; F236-F266 HydrophobicContact CD2-CD1 3.8Å; F236-F266 HydrophobicContact CD2-CG 4.27Å; F236-F266 HydrophobicContact CE2-CB 4.48Å; F236-F266 AromaticContact CE2-CD1 3.38Å; F236-F266 HydrophobicContact CE2-CD1 3.38Å; F236-F266 AromaticContact CE2-CE1 3.84Å; F236-F266 HydrophobicContact CE2-CE1 3.84Å; F236-F266 HydrophobicContact CE2-CG 4.15Å; F236-F266 HydrophobicContact CZ-CD1 4.41Å; F236-I268 HydrophobicContact CE1-CD1 4.35Å; F236-I268 HydrophobicContact CE2-CD1 4.11Å; F236-I268 HydrophobicContact CZ-CD1 3.47Å; F236-I268 VanDerWaalsContact CZ-CD1 3.47Å; F236-I268 HydrophobicContact CZ-CG1 4.09Å; F236-F367 HydrophobicContact CE2-CD1 4.29Å; F236-F367 AromaticContact CE2-CE1 3.58Å; F236-F367 HydrophobicContact CE2-CE1 3.58Å; F236-F367 HydrophobicContact CE2-CZ 4.21Å; F236-F367 AromaticContact CZ-CE1 3.7Å; F236-F367 HydrophobicContact CZ-CE1 3.7Å; F236-F367 HydrophobicContact CZ-CZ 4.01Å; F236-F370 HydrophobicContact CB-CE1 4.26Å; F236-F370 HydrophobicContact CB-CZ 4.25Å; F236-F370 HydrophobicContact CD2-CD1 4.18Å; F236-F370 AromaticContact CD2-CE1 3.79Å; F236-F370 HydrophobicContact CD2-CE1 3.79Å; F236-F370 HydrophobicContact CD2-CZ 4.3Å |
| 237 | L | 96.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 110.9 | -178.3 | -49.9 | 176.3 | 0 | 0 | 0 | 108.1 | L199 L235 V254 V265 F266 G267 I268 L275 | L199-L237 HydrophobicContact CB-CD2 4.43Å; L199-L237 HydrophobicContact CD1-CD2 3.89Å; L199-L237 HydrophobicContact CG-CD2 4.44Å; L235-L237 HydrophobicContact CD1-CD2 4.37Å; L235-L237 HydrophobicContact CD2-CD2 3.98Å; L235-L237 HydrophobicContact CG-CD2 4Å; L237-V254 HydrophobicContact CD1-CG1 3.94Å; L237-V254 HydrophobicContact CD1-CG2 3.93Å; L237-V254 HydrophobicContact CD2-CG2 3.66Å; L237-V254 HydrophobicContact CG-CG2 4.47Å; L237-V265 HydrophobicContact CD1-CG1 4.16Å; L237-V265 HydrophobicContact CG-CG1 4.36Å; L237-F266 PolarHBondContact N-O 2.95Å; L237-G267 WeakPolarHBondContact O-CA 3.22Å; L237-I268 PolarHBondContact O-N 3.27Å; L237-L275 HydrophobicContact CD1-CB 4.14Å |
| 238 | S | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -68.8 | 170.1 | -175.1 | 78.6 | 0 | 0 | 0 | 0 | 112.6 | L199 C201 Q207 I268 G271 | L199-S238 WeakPolarHBondContact O-CB 3.35Å; L199-S238 PolarHBondContact O-N 3.15Å; L199-S238 PolarHBondContact O-OG 2.48Å; L199-S238 VanDerWaalsContact O-OG 3.05Å; C201-S238 PolarHBondContact N-OG 2.8Å; Q207-S238 VanDerWaalsContact OE1-CB 3.26Å; S238-I268 CarbonylContact C-O 3.4Å; S238-G271 WeakPolarHBondContact O-CA 3.26Å; S238-G271 PolarHBondContact O-N 3.48Å | ||
| 239 | N | 94.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -67.7 | 173.6 | 162.4 | 69.3 | -63.8 | 0 | 0 | 0 | 111.3 | S55 C201 G202 L203 K204 Q207 I268 C269 | S55-N239 PolarHBondContact OG-ND2 3.36Å; C201-N239 CarbonylContact C-O 3.54Å; G202-N239 CarbonylContact C-O 3.28Å; G202-N239 VanDerWaalsContact C-O 3.28Å; G202-N239 PolarHBondContact O-ND2 2.95Å; L203-N239 WeakPolarHBondContact CA-OD1 3.31Å; K204-N239 PolarHBondContact N-OD1 3.13Å; Q207-N239 PolarHBondContact NE2-OD1 3.11Å; Q207-N239 PolarHBondContact OE1-OD1 3.42Å; N239-I268 VanDerWaalsContact CA-O 3.3Å; N239-I268 WeakPolarHBondContact CA-O 3.49Å; N239-I268 PolarHBondContact N-O 3.33Å; N239-C269 HydrophobicContact CB-CB 3.78Å | ||
| 240 | G | 93.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 6% | 0.062 | 17% | 0.17 | C | C | . | . | trans | 178.8 | 162.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C201 | C201-G240 WeakPolarHBondContact O-CA 3.3Š| ||
| 241 | P | 93.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | trans | -83.3 | 164.5 | 176.6 | 33.7 | -36.2 | 0 | 0 | 0 | 113 | R54 L174 C201 | R54-P241 WeakPolarHBondContact O-CB 3.3Å; R54-P241 VanDerWaalsContact O-CG 3.32Å; R54-P241 WeakPolarHBondContact O-CG 3.49Å; L174-P241 HydrophobicContact CB-CB 4.01Å; L174-P241 HydrophobicContact CB-CG 3.66Å; L174-P241 HydrophobicContact CD1-CB 4.13Å; C201-P241 WeakPolarHBondContact O-CD 3.3Å | ||
| 242 | G | 89.7 | Confident | 91.9 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 90.7 | -174.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y314 | G242-Y314 WeakPolarHBondContact O-CE2 3.35Š|
| 243 | N | 91.6 | Very high | 91.9 | Very high | 42 Ų | 42 | 29.5 Ų | 29.5 | 23% | 0.225 | 15% | 0.152 | C | C | . | . | trans | -78.7 | 124.3 | -176.1 | -173.8 | -12.4 | 0 | 0 | 0 | 111.4 | E245 S246 Y314 | N243-E245 PolarHBondContact O-N 3.21Å; N243-E245 VanDerWaalsContact O-N 3.12Å; N243-E245 WeakPolarHBondContact OD1-CB 3.43Å; N243-E245 WeakPolarHBondContact OD1-CG 3.47Å; N243-E245 PolarHBondContact OD1-N 2.96Å; N243-S246 WeakPolarHBondContact O-CB 3.45Å; N243-S246 PolarHBondContact O-N 2.98Å; N243-S246 PolarHBondContact O-OG 2.72Å; N243-Y314 HydrophobicContact CB-CE1 4.44Å; N243-Y314 HydrophobicContact CB-CE2 4.47Å; N243-Y314 WeakPolarHBondContact CB-OH 3.29Å | ||
| 244 | P | 91.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -54.6 | -29.3 | 175.5 | -28.5 | 38.1 | 0 | 0 | 0 | 114.5 | S246 C247 L270 Q273 K277 T283 Y314 | P244-S246 PolarHBondContact O-N 3.01Å; P244-C247 WeakPolarHBondContact O-CB 3.42Å; P244-C247 PolarHBondContact O-N 2.95Å; P244-C247 VanDerWaalsContact O-N 3.07Å; P244-L270 HydrophobicContact CB-CD1 4.08Å; P244-L270 HydrophobicContact CG-CD1 3.85Å; P244-Q273 HydrophobicContact CB-CB 4.24Å; P244-Q273 HydrophobicContact CG-CB 3.97Å; P244-Q273 HydrophobicContact CG-CG 4.31Å; P244-K277 HydrophobicContact CB-CD 3.98Å; P244-T283 HydrophobicContact CB-CG2 4.41Å; P244-T283 HydrophobicContact CG-CG2 4.46Å; P244-Y314 HydrophobicContact CG-CG 4.28Å |
| 245 | E | 88.4 | Confident | 91.9 | Very high | 86 Ų | 86 | 31 Ų | 31 | 40% | 0.402 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -61.6 | -25.1 | 175.7 | -63.4 | -56.1 | 143.9 | 0 | 0 | 113.1 | N243 C247 K277 | N243-E245 PolarHBondContact O-N 3.21Å; N243-E245 VanDerWaalsContact O-N 3.12Å; N243-E245 WeakPolarHBondContact OD1-CB 3.43Å; N243-E245 WeakPolarHBondContact OD1-CG 3.47Å; N243-E245 PolarHBondContact OD1-N 2.96Å; E245-C247 PolarHBondContact O-N 3.19Å; E245-K277 IonicContact OE1-NZ 3.21Å; E245-K277 PolarHBondContact OE1-NZ 3.3Å; E245-K277 IonicContact OE2-NZ 3.63Å; E245-K277 PolarHBondContact OE2-NZ 2.89Å |
| 246 | S | 87.5 | Confident | 91.6 | Very high | 38 Ų | 38 | 34.8 Ų | 34.8 | 27% | 0.266 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -74.2 | -4.7 | 177.2 | 70.7 | 0 | 0 | 0 | 0 | 113.5 | N173 N243 P244 | N173-S246 PolarHBondContact ND2-O 3.17Å; N243-S246 WeakPolarHBondContact O-CB 3.45Å; N243-S246 PolarHBondContact O-N 2.98Å; N243-S246 PolarHBondContact O-OG 2.72Å; P244-S246 PolarHBondContact O-N 3.01Å |
| 247 | C | 90.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -112.4 | 20.8 | -169.7 | -64.8 | 0 | 0 | 0 | 0 | 115.3 | W223 P244 E245 Q249 I250 V251 L274 | W223-C247 HydrophobicContact CZ3-CB 4.45Å; P244-C247 WeakPolarHBondContact O-CB 3.42Å; P244-C247 PolarHBondContact O-N 2.95Å; P244-C247 VanDerWaalsContact O-N 3.07Å; E245-C247 PolarHBondContact O-N 3.19Å; C247-Q249 PolarHBondContact O-N 3.35Å; C247-I250 WeakPolarHBondContact O-CB 3.28Å; C247-I250 PolarHBondContact O-N 3.37Å; C247-V251 PolarHBondContact O-N 3.13Å; C247-L274 HydrophobicContact CB-CD2 3.53Å |
| 248 | D | 87.7 | Confident | 91 | Very high | 83 Ų | 83 | 36.1 Ų | 36.1 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -52.1 | -33.5 | -177.9 | -90.9 | -5.5 | 0 | 0 | 0 | 115.1 | I250 V251 Q252 | D248-I250 PolarHBondContact O-N 3.29Å; D248-V251 PolarHBondContact O-N 3.45Å; D248-Q252 WeakPolarHBondContact O-CG 3.37Å; D248-Q252 PolarHBondContact O-N 3.28Å; D248-Q252 VanDerWaalsContact O-N 3.1Å |
| 249 | Q | 88.9 | Confident | 90.6 | Very high | 124 Ų | 124 | 43.1 Ų | 43.1 | 58% | 0.579 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -59.8 | -36.7 | 176.9 | -67.7 | -175.9 | -4.2 | 0 | 0 | 112.2 | C247 | C247-Q249 PolarHBondContact O-N 3.35Å |
| 250 | I | 90.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.9 | -44.4 | 177.8 | -59.7 | -171.5 | 0 | 0 | 0 | 110.3 | L199 C201 W223 C247 D248 Q252 Q253 V254 L274 | L199-I250 HydrophobicContact CD1-CG2 3.81Å; C201-I250 VanDerWaalsContact SG-CD1 3.56Å; W223-I250 HydrophobicContact CB-CD1 3.7Å; W223-I250 HydrophobicContact CD2-CD1 3.93Å; W223-I250 HydrophobicContact CE3-CD1 3.27Å; W223-I250 HydrophobicContact CE3-CG1 3.81Å; W223-I250 HydrophobicContact CG-CD1 4.18Å; W223-I250 HydrophobicContact CZ3-CD1 4.02Å; W223-I250 HydrophobicContact CZ3-CG1 4.1Å; W223-I250 WeakPolarHBondContact O-CD1 3.49Å; W223-I250 WeakPolarHBondContact O-CG1 3.45Å; C247-I250 WeakPolarHBondContact O-CB 3.28Å; C247-I250 PolarHBondContact O-N 3.37Å; D248-I250 PolarHBondContact O-N 3.29Å; I250-Q252 PolarHBondContact O-N 3.48Å; I250-Q252 VanDerWaalsContact O-N 3.16Å; I250-Q253 WeakPolarHBondContact O-CA 3.4Å; I250-Q253 WeakPolarHBondContact O-CB 3.31Å; I250-Q253 PolarHBondContact O-N 3.24Å; I250-V254 HydrophobicContact CG2-CG2 3.97Å; I250-V254 WeakPolarHBondContact O-CG2 3.39Å; I250-V254 PolarHBondContact O-N 3.5Å; I250-L274 HydrophobicContact CG2-CD1 3.98Å |
| 251 | V | 91.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -52.9 | -39.3 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | C247 D248 R255 L274 K277 A278 | C247-V251 PolarHBondContact O-N 3.13Å; D248-V251 PolarHBondContact O-N 3.45Å; V251-R255 VanDerWaalsContact O-CB 3.26Å; V251-R255 WeakPolarHBondContact O-CB 3.23Å; V251-R255 PolarHBondContact O-N 2.89Å; V251-L274 HydrophobicContact CG2-CD2 3.7Å; V251-K277 HydrophobicContact CG1-CB 3.95Å; V251-K277 HydrophobicContact CG2-CB 3.97Å; V251-K277 HydrophobicContact CG2-CD 4.49Å; V251-A278 HydrophobicContact CG1-CB 4.17Å |
| 252 | Q | 91.3 | Very high | 88.7 | Confident | 120 Ų | 120 | 53.6 Ų | 53.6 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.2 | -38.8 | 175 | -68.6 | 176.4 | 8.2 | 0 | 0 | 113.7 | D248 I250 K256 | D248-Q252 WeakPolarHBondContact O-CG 3.37Å; D248-Q252 PolarHBondContact O-N 3.28Å; D248-Q252 VanDerWaalsContact O-N 3.1Å; I250-Q252 PolarHBondContact O-N 3.48Å; I250-Q252 VanDerWaalsContact O-N 3.16Å; Q252-K256 PolarHBondContact O-N 3.06Å; Q252-K256 VanDerWaalsContact O-N 3.16Å |
| 253 | Q | 90.3 | Very high | 88.7 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 175.8 | -66 | -59.5 | -56 | 0 | 0 | 111.5 | L227 I250 R255 K256 V257 | L227-Q253 HydrophobicContact CD1-CB 4.15Å; L227-Q253 HydrophobicContact CG-CB 4.32Å; L227-Q253 VanDerWaalsContact N-OE1 3.14Å; I250-Q253 WeakPolarHBondContact O-CA 3.4Å; I250-Q253 WeakPolarHBondContact O-CB 3.31Å; I250-Q253 PolarHBondContact O-N 3.24Å; Q253-R255 VanDerWaalsContact C-N 3.35Å; Q253-K256 WeakPolarHBondContact O-CB 3.11Å; Q253-K256 PolarHBondContact O-N 3.08Å; Q253-V257 PolarHBondContact O-N 2.93Å |
| 254 | V | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.2 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | L199 L237 I250 K256 V257 I258 L275 A278 | L199-V254 HydrophobicContact CD1-CG2 4.44Å; L237-V254 HydrophobicContact CD1-CG1 3.94Å; L237-V254 HydrophobicContact CD1-CG2 3.93Å; L237-V254 HydrophobicContact CD2-CG2 3.66Å; L237-V254 HydrophobicContact CG-CG2 4.47Å; I250-V254 HydrophobicContact CG2-CG2 3.97Å; I250-V254 WeakPolarHBondContact O-CG2 3.39Å; I250-V254 PolarHBondContact O-N 3.5Å; V254-K256 VanDerWaalsContact C-N 3.28Å; V254-K256 PolarHBondContact O-N 3.18Å; V254-V257 PolarHBondContact O-N 3.02Å; V254-V257 VanDerWaalsContact O-N 3.08Å; V254-I258 HydrophobicContact CG1-CG2 4.41Å; V254-I258 WeakPolarHBondContact O-CG1 2.99Å; V254-I258 PolarHBondContact O-N 3.28Å; V254-L275 HydrophobicContact CG1-CD1 4.04Å; V254-A278 HydrophobicContact CB-CB 4.07Å; V254-A278 HydrophobicContact CG1-CB 3.75Å |
| 255 | R | 92.5 | Very high | 89 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 33% | 0.328 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.4 | -44.2 | 175.8 | -172.8 | 173.4 | -62.4 | 122.5 | 1.2 | 112 | V251 Q253 V257 I258 E259 K277 A278 | V251-R255 VanDerWaalsContact O-CB 3.26Å; V251-R255 WeakPolarHBondContact O-CB 3.23Å; V251-R255 PolarHBondContact O-N 2.89Å; Q253-R255 VanDerWaalsContact C-N 3.35Å; R255-V257 PolarHBondContact O-N 3.37Å; R255-I258 WeakPolarHBondContact O-CG1 3.31Å; R255-I258 PolarHBondContact O-N 2.91Å; R255-E259 HydrophobicContact CG-CG 4.39Å; R255-E259 WeakPolarHBondContact CG-OE1 3.34Å; R255-E259 WeakPolarHBondContact O-CB 3.41Å; R255-E259 VanDerWaalsContact O-CG 3.28Å; R255-E259 WeakPolarHBondContact O-CG 3.26Å; R255-E259 PolarHBondContact O-N 2.94Å; R255-K277 PolarHBondContact NH2-O 3.17Å; R255-K277 VanDerWaalsContact NH2-O 3.13Å; R255-A278 HydrophobicContact CB-CB 4.32Å; R255-A278 PolarHBondContact NE-O 2.76Å |
| 256 | K | 90 | Very high | 89.5 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.8 | -171.9 | -170.1 | 169.2 | -149.5 | 0 | 112.3 | Q252 Q253 V254 E259 E260 | Q252-K256 PolarHBondContact O-N 3.06Å; Q252-K256 VanDerWaalsContact O-N 3.16Å; Q253-K256 WeakPolarHBondContact O-CB 3.11Å; Q253-K256 PolarHBondContact O-N 3.08Å; V254-K256 VanDerWaalsContact C-N 3.28Å; V254-K256 PolarHBondContact O-N 3.18Å; K256-E259 PolarHBondContact O-N 3.2Å; K256-E260 WeakPolarHBondContact CE-OE1 3.28Å; K256-E260 IonicContact NZ-OE1 3.9Å; K256-E260 WeakPolarHBondContact O-CG 3.37Å; K256-E260 PolarHBondContact O-N 3.42Å |
| 257 | V | 89.7 | Confident | 89.9 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 179.5 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | L227 F232 L235 Q253 V254 R255 E260 G261 V265 | L227-V257 HydrophobicContact CB-CG2 4.14Å; L227-V257 HydrophobicContact CD1-CG2 3.71Å; F232-V257 HydrophobicContact CZ-CG2 4.3Å; L235-V257 HydrophobicContact CD2-CB 4.21Å; L235-V257 HydrophobicContact CD2-CG1 4.04Å; L235-V257 HydrophobicContact CD2-CG2 4.2Å; Q253-V257 PolarHBondContact O-N 2.93Å; V254-V257 PolarHBondContact O-N 3.02Å; V254-V257 VanDerWaalsContact O-N 3.08Å; R255-V257 PolarHBondContact O-N 3.37Å; V257-E260 PolarHBondContact O-N 3.43Å; V257-G261 PolarHBondContact O-N 3.08Å; V257-V265 HydrophobicContact CG1-CG2 4.2Å |
| 258 | I | 90.8 | Very high | 90.3 | Very high | 23 Ų | 23 | 46.8 Ų | 46.8 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.6 | -33.5 | 178.9 | 62.2 | 174.5 | 0 | 0 | 0 | 112.4 | V254 R255 E260 G261 V265 L275 A278 I279 Y347 | V254-I258 HydrophobicContact CG1-CG2 4.41Å; V254-I258 WeakPolarHBondContact O-CG1 2.99Å; V254-I258 PolarHBondContact O-N 3.28Å; R255-I258 WeakPolarHBondContact O-CG1 3.31Å; R255-I258 PolarHBondContact O-N 2.91Å; I258-E260 VanDerWaalsContact C-N 3.34Å; I258-G261 PolarHBondContact O-N 3.37Å; I258-V265 HydrophobicContact CG2-CG2 4.3Å; I258-L275 HydrophobicContact CG2-CD1 3.96Å; I258-A278 HydrophobicContact CD1-CB 3.94Å; I258-I279 HydrophobicContact CD1-CG2 3.6Å; I258-Y347 HydrophobicContact CB-CE2 4.05Å; I258-Y347 HydrophobicContact CG2-CD2 4.45Å; I258-Y347 HydrophobicContact CG2-CE1 4.49Å; I258-Y347 HydrophobicContact CG2-CE2 4.29Å; I258-Y347 PolarHBondContact O-OH 3.03Å |
| 259 | E | 87.8 | Confident | 90.6 | Very high | 147 Ų | 147 | 43 Ų | 43 | 69% | 0.687 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.8 | -35.8 | 173.3 | -78.4 | 172.9 | -179.2 | 0 | 0 | 112.1 | R255 K256 G261 | R255-E259 HydrophobicContact CG-CG 4.39Å; R255-E259 WeakPolarHBondContact CG-OE1 3.34Å; R255-E259 WeakPolarHBondContact O-CB 3.41Å; R255-E259 VanDerWaalsContact O-CG 3.28Å; R255-E259 WeakPolarHBondContact O-CG 3.26Å; R255-E259 PolarHBondContact O-N 2.94Å; K256-E259 PolarHBondContact O-N 3.2Å; E259-G261 VanDerWaalsContact C-N 3.28Å; E259-G261 PolarHBondContact O-N 3.49Å |
| 260 | E | 83.7 | Confident | 91 | Very high | 76 Ų | 76 | 37.1 Ų | 37.1 | 36% | 0.355 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66 | -28.8 | 175.6 | -73.6 | 168.3 | -175.2 | 0 | 0 | 112.3 | K256 V257 I258 Q262 | K256-E260 WeakPolarHBondContact CE-OE1 3.28Å; K256-E260 IonicContact NZ-OE1 3.9Å; K256-E260 WeakPolarHBondContact O-CG 3.37Å; K256-E260 PolarHBondContact O-N 3.42Å; V257-E260 PolarHBondContact O-N 3.43Å; I258-E260 VanDerWaalsContact C-N 3.34Å; E260-Q262 PolarHBondContact O-N 2.82Å |
| 261 | G | 77.2 | Confident | 91.2 | Very high | 13 Ų | 13 | 37 Ų | 37 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | trans | 84.8 | 2.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | V257 I258 E259 K345 Y347 | V257-G261 PolarHBondContact O-N 3.08Å; I258-G261 PolarHBondContact O-N 3.37Å; E259-G261 VanDerWaalsContact C-N 3.28Å; E259-G261 PolarHBondContact O-N 3.49Å; G261-K345 PolarHBondContact O-NZ 3.38Å; G261-Y347 WeakPolarHBondContact CA-OH 3.34Å; G261-Y347 PolarHBondContact N-OH 3.21Å | ||
| 262 | Q | 80.6 | Confident | 91.5 | Very high | 142 Ų | 142 | 36.9 Ų | 36.9 | 66% | 0.664 | 17% | 0.172 | S | C | * | . | trans | -112.2 | -27.1 | -163.1 | -66.4 | -173.1 | 18.9 | 0 | 0 | 116.6 | E260 | E260-Q262 PolarHBondContact O-N 2.82Š| ||
| 263 | K | 89.8 | Confident | 91.7 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 11% | 0.113 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -114.5 | 142.3 | -167.4 | -70.3 | -178.7 | 177.9 | 173.1 | 0 | 113 | D229 F232 Y347 | D229-K263 PolarHBondContact O-NZ 3.35Å; D229-K263 WeakPolarHBondContact OD1-CE 3.22Å; D229-K263 IonicContact OD1-NZ 3.31Å; D229-K263 PolarHBondContact OD1-NZ 3.04Å; F232-K263 HydrophobicContact CD2-CD 4Å; F232-K263 HydrophobicContact CE2-CD 3.68Å; F232-K263 HydrophobicContact CZ-CD 4.48Å; F232-K263 WeakPolarHBondContact O-CE 3.45Å; F232-K263 PolarHBondContact O-NZ 2.93Å; K263-Y347 VanDerWaalsContact O-CE1 3.23Å; K263-Y347 WeakPolarHBondContact O-CE1 3.3Å |
| 264 | P | 94.1 | Very high | 92 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.039 | 14% | 0.136 | C | C | . | . | trans | -58.7 | 139.5 | 175.9 | -26.2 | 36.7 | 0 | 0 | 0 | 113.5 | A234 L235 P346 F370 S373 I374 | A234-P264 HydrophobicContact CB-CB 4.12Å; A234-P264 HydrophobicContact CB-CG 4.49Å; L235-P264 PolarHBondContact N-O 3.28Å; P264-P346 CarbonylContact C-O 3.38Å; P264-P346 VanDerWaalsContact CA-O 3.23Å; P264-P346 WeakPolarHBondContact CA-O 3.09Å; P264-P346 HydrophobicContact CB-CB 4.04Å; P264-P346 HydrophobicContact CB-CG 4.42Å; P264-P346 HydrophobicContact CG-CB 3.94Å; P264-P346 HydrophobicContact CG-CG 4.15Å; P264-F370 HydrophobicContact CB-CD2 4.2Å; P264-F370 HydrophobicContact CB-CE2 3.83Å; P264-S373 VanDerWaalsContact CB-OG 3.3Å; P264-S373 WeakPolarHBondContact CB-OG 3.32Å; P264-S373 WeakPolarHBondContact CG-OG 3.43Å; P264-I374 HydrophobicContact CB-CG1 4.4Å; P264-I374 HydrophobicContact CG-CG1 3.95Å | ||
| 265 | V | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 123.9 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | L235 L237 V257 I258 L275 P346 Y347 F348 | L235-V265 HydrophobicContact CB-CG2 4.31Å; L235-V265 HydrophobicContact CD2-CG1 4.41Å; L235-V265 HydrophobicContact CD2-CG2 4.46Å; L235-V265 VanDerWaalsContact O-CA 3.3Å; L235-V265 WeakPolarHBondContact O-CA 3.4Å; L237-V265 HydrophobicContact CD1-CG1 4.16Å; L237-V265 HydrophobicContact CG-CG1 4.36Å; V257-V265 HydrophobicContact CG1-CG2 4.2Å; I258-V265 HydrophobicContact CG2-CG2 4.3Å; V265-L275 HydrophobicContact CG1-CD1 4.27Å; V265-P346 PolarHBondContact N-O 3.19Å; V265-Y347 HydrophobicContact CB-CD1 3.87Å; V265-Y347 HydrophobicContact CG2-CD1 3.73Å; V265-Y347 HydrophobicContact CG2-CE1 3.9Å; V265-F348 PolarHBondContact O-N 2.79Å; V265-F348 VanDerWaalsContact O-N 3.07Å |
| 266 | F | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.8 | 173.3 | -178 | -153.5 | 0 | 0 | 0 | 111 | L235 F236 L237 I268 F348 V350 P354 L366 F367 F370 | L235-F266 PolarHBondContact O-N 2.99Å; L235-F266 VanDerWaalsContact O-N 3.12Å; F236-F266 CarbonylContact C-O 3.54Å; F236-F266 WeakPolarHBondContact CA-O 3.29Å; F236-F266 HydrophobicContact CD2-CB 4.1Å; F236-F266 AromaticContact CD2-CD1 3.8Å; F236-F266 HydrophobicContact CD2-CD1 3.8Å; F236-F266 HydrophobicContact CD2-CG 4.27Å; F236-F266 HydrophobicContact CE2-CB 4.48Å; F236-F266 AromaticContact CE2-CD1 3.38Å; F236-F266 HydrophobicContact CE2-CD1 3.38Å; F236-F266 AromaticContact CE2-CE1 3.84Å; F236-F266 HydrophobicContact CE2-CE1 3.84Å; F236-F266 HydrophobicContact CE2-CG 4.15Å; F236-F266 HydrophobicContact CZ-CD1 4.41Å; L237-F266 PolarHBondContact N-O 2.95Å; F266-I268 HydrophobicContact CE1-CD1 3.95Å; F266-I268 HydrophobicContact CE1-CG1 4.22Å; F266-I268 HydrophobicContact CE2-CG1 4.06Å; F266-I268 HydrophobicContact CZ-CD1 3.89Å; F266-I268 HydrophobicContact CZ-CG1 3.83Å; F266-F348 VanDerWaalsContact CA-O 3.32Å; F266-F348 WeakPolarHBondContact CA-O 3.43Å; F266-F348 HydrophobicContact CB-CD1 4.41Å; F266-F348 HydrophobicContact CB-CE1 3.84Å; F266-F348 HydrophobicContact CB-CZ 4.07Å; F266-F348 HydrophobicContact CD1-CE1 4.47Å; F266-F348 HydrophobicContact CD1-CE2 4.41Å; F266-F348 AromaticContact CD1-CZ 3.87Å; F266-F348 HydrophobicContact CD1-CZ 3.87Å; F266-F348 HydrophobicContact CD2-CD1 4.21Å; F266-F348 AromaticContact CD2-CD2 3.74Å; F266-F348 HydrophobicContact CD2-CD2 3.74Å; F266-F348 AromaticContact CD2-CE1 3.85Å; F266-F348 HydrophobicContact CD2-CE1 3.85Å; F266-F348 AromaticContact CD2-CE2 3.34Å; F266-F348 HydrophobicContact CD2-CE2 3.34Å; F266-F348 HydrophobicContact CD2-CG 4.16Å; F266-F348 AromaticContact CD2-CZ 3.4Å; F266-F348 HydrophobicContact CD2-CZ 3.4Å; F266-F348 HydrophobicContact CE1-CE2 4.35Å; F266-F348 HydrophobicContact CE1-CZ 4.15Å; F266-F348 AromaticContact CE2-CD2 3.8Å; F266-F348 HydrophobicContact CE2-CD2 3.8Å; F266-F348 AromaticContact CE2-CE2 3.25Å; F266-F348 HydrophobicContact CE2-CE2 3.25Å; F266-F348 AromaticContact CE2-CZ 3.7Å; F266-F348 HydrophobicContact CE2-CZ 3.7Å; F266-F348 AromaticContact CG-CE1 3.82Å; F266-F348 HydrophobicContact CG-CE1 3.82Å; F266-F348 AromaticContact CG-CE2 3.98Å; F266-F348 HydrophobicContact CG-CE2 3.98Å; F266-F348 AromaticContact CG-CZ 3.52Å; F266-F348 HydrophobicContact CG-CZ 3.52Å; F266-F348 AromaticContact CZ-CE2 3.81Å; F266-F348 HydrophobicContact CZ-CE2 3.81Å; F266-F348 HydrophobicContact CZ-CZ 4.07Å; F266-V350 HydrophobicContact CE2-CG2 3.88Å; F266-V350 HydrophobicContact CZ-CG2 4.12Å; F266-P354 HydrophobicContact CZ-CG 4.24Å; F266-L366 HydrophobicContact CE1-CB 4.49Å; F266-L366 HydrophobicContact CZ-CB 4.08Å; F266-F367 HydrophobicContact CE1-CE1 4.47Å; F266-F367 HydrophobicContact CE1-CZ 4.5Å; F266-F370 HydrophobicContact CB-CB 4.4Å; F266-F370 HydrophobicContact CB-CD1 4.35Å; F266-F370 HydrophobicContact CB-CD2 3.42Å; F266-F370 VanDerWaalsContact CB-CD2 3.42Å; F266-F370 HydrophobicContact CB-CE1 4.48Å; F266-F370 HydrophobicContact CB-CE2 3.58Å; F266-F370 HydrophobicContact CB-CG 3.82Å; F266-F370 HydrophobicContact CB-CZ 4.12Å; F266-F370 HydrophobicContact CD1-CB 3.94Å; F266-F370 HydrophobicContact CD1-CD1 4.3Å; F266-F370 HydrophobicContact CD1-CD2 4.46Å; F266-F370 HydrophobicContact CD1-CG 4Å; F266-F370 HydrophobicContact CG-CB 4.47Å; F266-F370 HydrophobicContact CG-CD2 4.34Å; F266-F370 HydrophobicContact CG-CG 4.33Å |
| 267 | G | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L237 F348 S349 V350 | L237-G267 WeakPolarHBondContact O-CA 3.22Å; G267-F348 PolarHBondContact N-O 2.94Å; G267-S349 CarbonylContact O-C 3.48Å; G267-S349 WeakPolarHBondContact O-CA 3.09Å; G267-S349 WeakPolarHBondContact O-CB 3.41Å; G267-V350 PolarHBondContact O-N 3.14Å |
| 268 | I | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.2 | -179.2 | -60.4 | -176.7 | 0 | 0 | 0 | 110.9 | F236 L237 S238 N239 F266 L270 G271 V350 F352 P354 E355 F367 | F236-I268 HydrophobicContact CE1-CD1 4.35Å; F236-I268 HydrophobicContact CE2-CD1 4.11Å; F236-I268 HydrophobicContact CZ-CD1 3.47Å; F236-I268 VanDerWaalsContact CZ-CD1 3.47Å; F236-I268 HydrophobicContact CZ-CG1 4.09Å; L237-I268 PolarHBondContact O-N 3.27Å; S238-I268 CarbonylContact C-O 3.4Å; N239-I268 VanDerWaalsContact CA-O 3.3Å; N239-I268 WeakPolarHBondContact CA-O 3.49Å; N239-I268 PolarHBondContact N-O 3.33Å; F266-I268 HydrophobicContact CE1-CD1 3.95Å; F266-I268 HydrophobicContact CE1-CG1 4.22Å; F266-I268 HydrophobicContact CE2-CG1 4.06Å; F266-I268 HydrophobicContact CZ-CD1 3.89Å; F266-I268 HydrophobicContact CZ-CG1 3.83Å; I268-L270 PolarHBondContact O-N 3.32Å; I268-G271 WeakPolarHBondContact O-CA 3.48Å; I268-G271 PolarHBondContact O-N 3.23Å; I268-V350 CarbonylContact C-O 3.58Å; I268-V350 VanDerWaalsContact CA-O 3.31Å; I268-V350 WeakPolarHBondContact CA-O 3.18Å; I268-V350 HydrophobicContact CG1-CG2 4.29Å; I268-F352 WeakPolarHBondContact CG2-O 3.37Å; I268-P354 HydrophobicContact CD1-CG 4.36Å; I268-E355 WeakPolarHBondContact CD1-OE2 2.92Å; I268-E355 WeakPolarHBondContact CG2-OE2 3.45Å; I268-F367 HydrophobicContact CD1-CE2 4.34Å; I268-F367 HydrophobicContact CD1-CZ 3.79Å |
| 269 | C | 95.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -106.3 | 179.2 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | N239 G271 H272 Q273 V350 Q351 | N239-C269 HydrophobicContact CB-CB 3.78Å; C269-G271 PolarHBondContact O-N 2.86Å; C269-H272 WeakPolarHBondContact O-CB 3.39Å; C269-H272 PolarHBondContact O-N 2.92Å; C269-Q273 WeakPolarHBondContact O-CG 3.19Å; C269-Q273 PolarHBondContact O-N 2.97Å; C269-Q273 VanDerWaalsContact O-N 3.1Å; C269-V350 PolarHBondContact N-O 3.44Å; C269-Q351 WeakPolarHBondContact CA-O 3.46Å |
| 270 | L | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60 | -36.9 | 173.4 | -178.6 | 59.1 | 0 | 0 | 0 | 111 | A175 C201 P244 I268 H272 Q273 L274 | A175-L270 HydrophobicContact CB-CD2 4.18Å; C201-L270 HydrophobicContact CB-CD2 3.76Å; P244-L270 HydrophobicContact CB-CD1 4.08Å; P244-L270 HydrophobicContact CG-CD1 3.85Å; I268-L270 PolarHBondContact O-N 3.32Å; L270-H272 VanDerWaalsContact C-N 3.27Å; L270-H272 PolarHBondContact O-N 2.8Å; L270-Q273 HydrophobicContact CD1-CB 4.48Å; L270-Q273 WeakPolarHBondContact O-CB 3.35Å; L270-Q273 PolarHBondContact O-N 3.49Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; L270-L274 HydrophobicContact CD1-CG 4.22Å; L270-L274 HydrophobicContact CG-CD1 4.03Å; L270-L274 HydrophobicContact CG-CG 4.18Å; L270-L274 WeakPolarHBondContact O-CB 3.37Å; L270-L274 WeakPolarHBondContact O-CG 3.24Å; L270-L274 PolarHBondContact O-N 3.34Å |
| 271 | G | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.5 | -34 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | S238 I268 C269 L275 | S238-G271 WeakPolarHBondContact O-CA 3.26Å; S238-G271 PolarHBondContact O-N 3.48Å; I268-G271 WeakPolarHBondContact O-CA 3.48Å; I268-G271 PolarHBondContact O-N 3.23Å; C269-G271 PolarHBondContact O-N 2.86Å; G271-L275 WeakPolarHBondContact O-CB 3.28Å; G271-L275 PolarHBondContact O-N 2.85Å |
| 272 | H | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.6 | -46 | 172.2 | 161.5 | 81.9 | 0 | 0 | 0 | 111.7 | C269 L270 L274 L275 A276 V316 N337 S349 V350 Q351 | C269-H272 WeakPolarHBondContact O-CB 3.39Å; C269-H272 PolarHBondContact O-N 2.92Å; L270-H272 VanDerWaalsContact C-N 3.27Å; L270-H272 PolarHBondContact O-N 2.8Å; H272-L274 VanDerWaalsContact C-N 3.33Å; H272-L274 PolarHBondContact O-N 3.39Å; H272-L275 PolarHBondContact O-N 2.79Å; H272-A276 WeakPolarHBondContact O-CB 3.44Å; H272-A276 PolarHBondContact O-N 3.21Å; H272-V316 WeakPolarHBondContact NE2-CG2 3.38Å; H272-N337 PolarHBondContact CE1-OD1 2.96Å; H272-N337 PolarHBondContact NE2-OD1 3.26Å; H272-S349 PolarHBondContact ND1-OG 3.24Å; H272-V350 WeakPolarHBondContact CB-O 3.29Å; H272-Q351 PolarHBondContact CD2-OE1 3.04Å; H272-Q351 VanDerWaalsContact CD2-OE1 3.26Å |
| 273 | Q | 96 | Very high | 95 | Very high | 5 Ų | 5 | 9.2 Ų | 9.2 | 2% | 0.023 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 176.7 | -64.8 | 160 | 3.4 | 0 | 0 | 111.8 | P244 C269 L270 A276 K277 T283 Y314 V316 Q351 | P244-Q273 HydrophobicContact CB-CB 4.24Å; P244-Q273 HydrophobicContact CG-CB 3.97Å; P244-Q273 HydrophobicContact CG-CG 4.31Å; C269-Q273 WeakPolarHBondContact O-CG 3.19Å; C269-Q273 PolarHBondContact O-N 2.97Å; C269-Q273 VanDerWaalsContact O-N 3.1Å; L270-Q273 HydrophobicContact CD1-CB 4.48Å; L270-Q273 WeakPolarHBondContact O-CB 3.35Å; L270-Q273 PolarHBondContact O-N 3.49Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; Q273-A276 PolarHBondContact O-N 3.49Å; Q273-K277 WeakPolarHBondContact O-CB 3.43Å; Q273-K277 WeakPolarHBondContact O-CG 3.5Å; Q273-K277 PolarHBondContact O-N 2.94Å; Q273-T283 HydrophobicContact CB-CG2 3.99Å; Q273-T283 HydrophobicContact CG-CG2 4.2Å; Q273-Y314 PolarHBondContact NE2-O 2.87Å; Q273-V316 HydrophobicContact CG-CG2 4.28Å; Q273-Q351 VanDerWaalsContact CG-OE1 3.29Å |
| 274 | L | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | 176.9 | -68 | 172.1 | 0 | 0 | 0 | 112.1 | C247 I250 V251 L270 H272 K277 A278 | C247-L274 HydrophobicContact CB-CD2 3.53Å; I250-L274 HydrophobicContact CG2-CD1 3.98Å; V251-L274 HydrophobicContact CG2-CD2 3.7Å; L270-L274 HydrophobicContact CD1-CG 4.22Å; L270-L274 HydrophobicContact CG-CD1 4.03Å; L270-L274 HydrophobicContact CG-CG 4.18Å; L270-L274 WeakPolarHBondContact O-CB 3.37Å; L270-L274 WeakPolarHBondContact O-CG 3.24Å; L270-L274 PolarHBondContact O-N 3.34Å; H272-L274 VanDerWaalsContact C-N 3.33Å; H272-L274 PolarHBondContact O-N 3.39Å; L274-K277 PolarHBondContact O-N 3.01Å; L274-A278 WeakPolarHBondContact O-CB 3.31Å; L274-A278 PolarHBondContact O-N 2.85Å |
| 275 | L | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | 174.1 | -177.4 | 60 | 0 | 0 | 0 | 111.1 | L237 V254 I258 V265 G271 H272 K277 A278 I279 W325 | L237-L275 HydrophobicContact CD1-CB 4.14Å; V254-L275 HydrophobicContact CG1-CD1 4.04Å; I258-L275 HydrophobicContact CG2-CD1 3.96Å; V265-L275 HydrophobicContact CG1-CD1 4.27Å; G271-L275 WeakPolarHBondContact O-CB 3.28Å; G271-L275 PolarHBondContact O-N 2.85Å; H272-L275 PolarHBondContact O-N 2.79Å; L275-K277 PolarHBondContact O-N 3.43Å; L275-A278 WeakPolarHBondContact O-CB 3.43Å; L275-A278 PolarHBondContact O-N 3.32Å; L275-A278 VanDerWaalsContact O-N 3.1Å; L275-I279 PolarHBondContact O-N 2.89Å; L275-I279 VanDerWaalsContact O-N 3.12Å; L275-W325 HydrophobicContact CD1-CH2 4.26Å; L275-W325 HydrophobicContact CD2-CH2 4.08Å; L275-W325 HydrophobicContact CD2-CZ3 4.22Å; L275-W325 HydrophobicContact CG-CH2 4.22Å |
| 276 | A | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H272 Q273 A278 I279 G280 C281 V316 I340 | H272-A276 WeakPolarHBondContact O-CB 3.44Å; H272-A276 PolarHBondContact O-N 3.21Å; Q273-A276 PolarHBondContact O-N 3.49Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.8Å; A276-I279 WeakPolarHBondContact O-CG1 3.49Å; A276-I279 PolarHBondContact O-N 2.81Å; A276-G280 PolarHBondContact O-N 3Å; A276-G280 VanDerWaalsContact O-N 3.15Å; A276-C281 HydrophobicContact CB-CB 4.08Å; A276-C281 WeakPolarHBondContact O-CB 3.14Å; A276-C281 PolarHBondContact O-N 3.21Å; A276-V316 HydrophobicContact CB-CB 4.24Å; A276-V316 HydrophobicContact CB-CG1 3.63Å; A276-V316 HydrophobicContact CB-CG2 3.49Å; A276-V316 VanDerWaalsContact CB-CG2 3.49Å; A276-I340 HydrophobicContact CB-CD1 3.99Å |
| 277 | K | 94.7 | Very high | 94.8 | Very high | 24 Ų | 24 | 22.3 Ų | 22.3 | 10% | 0.104 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.9 | -33.7 | 173.4 | -75 | -179.8 | 68.4 | 75.3 | 0 | 113 | P244 E245 V251 R255 Q273 L274 L275 I279 G280 C281 T283 | P244-K277 HydrophobicContact CB-CD 3.98Å; E245-K277 IonicContact OE1-NZ 3.21Å; E245-K277 PolarHBondContact OE1-NZ 3.3Å; E245-K277 IonicContact OE2-NZ 3.63Å; E245-K277 PolarHBondContact OE2-NZ 2.89Å; V251-K277 HydrophobicContact CG1-CB 3.95Å; V251-K277 HydrophobicContact CG2-CB 3.97Å; V251-K277 HydrophobicContact CG2-CD 4.49Å; R255-K277 PolarHBondContact NH2-O 3.17Å; R255-K277 VanDerWaalsContact NH2-O 3.13Å; Q273-K277 WeakPolarHBondContact O-CB 3.43Å; Q273-K277 WeakPolarHBondContact O-CG 3.5Å; Q273-K277 PolarHBondContact O-N 2.94Å; L274-K277 PolarHBondContact O-N 3.01Å; L275-K277 PolarHBondContact O-N 3.43Å; K277-I279 VanDerWaalsContact C-N 3.28Å; K277-I279 PolarHBondContact O-N 3.37Å; K277-G280 PolarHBondContact O-N 3.47Å; K277-C281 WeakPolarHBondContact CA-O 3.44Å; K277-T283 HydrophobicContact CD-CG2 4.4Å; K277-T283 HydrophobicContact CG-CG2 4.27Å |
| 278 | A | 93.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65 | -35.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V251 V254 R255 I258 L274 L275 A276 | V251-A278 HydrophobicContact CG1-CB 4.17Å; V254-A278 HydrophobicContact CB-CB 4.07Å; V254-A278 HydrophobicContact CG1-CB 3.75Å; R255-A278 HydrophobicContact CB-CB 4.32Å; R255-A278 PolarHBondContact NE-O 2.76Å; I258-A278 HydrophobicContact CD1-CB 3.94Å; L274-A278 WeakPolarHBondContact O-CB 3.31Å; L274-A278 PolarHBondContact O-N 2.85Å; L275-A278 WeakPolarHBondContact O-CB 3.43Å; L275-A278 PolarHBondContact O-N 3.32Å; L275-A278 VanDerWaalsContact O-N 3.1Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.8Å |
| 279 | I | 94.3 | Very high | 94 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -86.1 | -9.3 | 178.2 | 67.6 | 169.6 | 0 | 0 | 0 | 113.8 | I258 L275 A276 K277 L321 P322 W325 I340 | I258-I279 HydrophobicContact CD1-CG2 3.6Å; L275-I279 PolarHBondContact O-N 2.89Å; L275-I279 VanDerWaalsContact O-N 3.12Å; A276-I279 WeakPolarHBondContact O-CG1 3.49Å; A276-I279 PolarHBondContact O-N 2.81Å; K277-I279 VanDerWaalsContact C-N 3.28Å; K277-I279 PolarHBondContact O-N 3.37Å; I279-L321 HydrophobicContact CD1-CD1 4.17Å; I279-P322 HydrophobicContact CB-CG 4.24Å; I279-P322 HydrophobicContact CD1-CG 4.44Å; I279-P322 HydrophobicContact CG1-CG 4.4Å; I279-P322 WeakPolarHBondContact O-CG 3.49Å; I279-W325 HydrophobicContact CB-CZ2 4.49Å; I279-W325 HydrophobicContact CD1-CD2 3.64Å; I279-W325 HydrophobicContact CD1-CE3 3.96Å; I279-W325 HydrophobicContact CD1-CG 3.93Å; I279-W325 HydrophobicContact CD1-CZ2 4.31Å; I279-W325 HydrophobicContact CD1-CZ3 4.38Å; I279-W325 HydrophobicContact CG2-CH2 4.02Å; I279-W325 HydrophobicContact CG2-CZ2 3.41Å; I279-W325 VanDerWaalsContact CG2-CZ2 3.41Å; I279-I340 HydrophobicContact CD1-CD1 3.83Å |
| 280 | G | 92.1 | Very high | 93.8 | Very high | 38 Ų | 38 | 25.3 Ų | 25.3 | 39% | 0.392 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 111.3 | 5.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | A276 K277 Q320 | A276-G280 PolarHBondContact O-N 3Å; A276-G280 VanDerWaalsContact O-N 3.15Å; K277-G280 PolarHBondContact O-N 3.47Å; G280-Q320 PolarHBondContact O-OE1 2.75Å |
| 281 | C | 93.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | trans | -76.8 | 155.3 | 171.9 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | A276 K277 V316 | A276-C281 HydrophobicContact CB-CB 4.08Å; A276-C281 WeakPolarHBondContact O-CB 3.14Å; A276-C281 PolarHBondContact O-N 3.21Å; K277-C281 WeakPolarHBondContact CA-O 3.44Å; C281-V316 HydrophobicContact CB-CG1 3.94Å | ||
| 282 | S | 93.6 | Very high | 93.4 | Very high | 37 Ų | 37 | 25.8 Ų | 25.8 | 26% | 0.259 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 164.8 | 170.2 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | D317 | S282-D317 PolarHBondContact O-N 3.01Å; S282-D317 WeakPolarHBondContact OG-CB 3.48Å |
| 283 | T | 93.7 | Very high | 93 | Very high | 19 Ų | 19 | 26.4 Ų | 26.4 | 12% | 0.117 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 147.1 | 172.1 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | P244 Q273 K277 A315 V316 | P244-T283 HydrophobicContact CB-CG2 4.41Å; P244-T283 HydrophobicContact CG-CG2 4.46Å; Q273-T283 HydrophobicContact CB-CG2 3.99Å; Q273-T283 HydrophobicContact CG-CG2 4.2Å; K277-T283 HydrophobicContact CD-CG2 4.4Å; K277-T283 HydrophobicContact CG-CG2 4.27Å; T283-A315 CarbonylContact C-O 3.55Å; T283-A315 VanDerWaalsContact CA-O 3.27Å; T283-A315 WeakPolarHBondContact CA-O 3.36Å; T283-V316 HydrophobicContact CG2-CG2 4.1Å |
| 284 | Y | 94.2 | Very high | 92.7 | Very high | 104 Ų | 104 | 26.5 Ų | 26.5 | 41% | 0.408 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.3 | 175.7 | 65 | -85.4 | 0 | 0 | 0 | 111.1 | M286 Y314 A315 D317 | Y284-M286 HydrophobicContact CE2-CG 4.32Å; Y284-Y314 VanDerWaalsContact O-CA 3.23Å; Y284-Y314 WeakPolarHBondContact O-CA 3.26Å; Y284-A315 WeakPolarHBondContact CD1-O 3.26Å; Y284-A315 HydrophobicContact CE1-CB 3.82Å; Y284-A315 HydrophobicContact CE2-CB 4.14Å; Y284-A315 PolarHBondContact N-O 2.72Å; Y284-A315 PolarHBondContact O-N 3.37Å; Y284-D317 HydrophobicContact CD1-CB 4.23Å; Y284-D317 HydrophobicContact CE1-CB 4.49Å |
| 285 | K | 93.5 | Very high | 92.5 | Very high | 71 Ų | 71 | 28 Ų | 28 | 31% | 0.309 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.6 | 173.8 | -177.4 | 78.3 | -170.4 | -166.5 | 0 | 108.7 | E37 G313 Y314 | E37-K285 WeakPolarHBondContact OE1-CE 3.33Å; E37-K285 IonicContact OE1-NZ 3.77Å; E37-K285 PolarHBondContact OE1-NZ 3.11Å; E37-K285 IonicContact OE2-NZ 2.72Å; K285-G313 VanDerWaalsContact CD-O 3.31Å; K285-G313 WeakPolarHBondContact CD-O 3.44Å; K285-Y314 HydrophobicContact CB-CD1 3.99Å; K285-Y314 HydrophobicContact CB-CE1 3.69Å; K285-Y314 HydrophobicContact CD-CD1 4.1Å; K285-Y314 HydrophobicContact CD-CD2 4.17Å; K285-Y314 HydrophobicContact CD-CE1 3.61Å; K285-Y314 HydrophobicContact CD-CE2 3.68Å; K285-Y314 HydrophobicContact CD-CG 4.35Å; K285-Y314 HydrophobicContact CG-CE1 4.23Å |
| 286 | M | 93.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 28 Ų | 28 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 151.1 | 172.3 | -61.3 | 176.3 | 68.7 | 0 | 0 | 110.1 | Y284 Y288 G313 A315 T336 | Y284-M286 HydrophobicContact CE2-CG 4.32Å; M286-Y288 PolarHBondContact O-N 3.29Å; M286-G313 PolarHBondContact N-O 2.72Å; M286-A315 HydrophobicContact CG-CB 3.98Å; M286-A315 HydrophobicContact SD-CB 3.99Å; M286-T336 HydrophobicContact CE-CG2 3.86Å |
| 287 | K | 90.5 | Very high | 92.3 | Very high | 116 Ų | 116 | 28 Ų | 28 | 50% | 0.504 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53 | -52.5 | -177.8 | -173.7 | -177.3 | -178.3 | -165.5 | 0 | 112.8 | R142 E143 G145 S146 | R142-K287 VanDerWaalsContact O-CE 3.26Å; R142-K287 WeakPolarHBondContact O-CE 3.41Å; R142-K287 PolarHBondContact O-NZ 3.27Å; E143-K287 VanDerWaalsContact C-NZ 3.35Å; E143-K287 WeakPolarHBondContact O-CE 3.5Å; E143-K287 PolarHBondContact O-NZ 3.46Å; G145-K287 CarbonylContact C-O 3.59Å; G145-K287 WeakPolarHBondContact CA-O 3.39Å; S146-K287 PolarHBondContact N-O 2.84Å |
| 288 | Y | 88.5 | Confident | 92.3 | Very high | 52 Ų | 52 | 28.8 Ų | 28.8 | 20% | 0.204 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | -19.7 | 176.7 | 46 | -94.6 | 0 | 0 | 0 | 112.4 | F40 R142 M286 R291 | F40-Y288 HydrophobicContact CE1-CG 4.48Å; F40-Y288 HydrophobicContact CZ-CD2 4.09Å; F40-Y288 HydrophobicContact CZ-CG 4.4Å; R142-Y288 PolarHBondContact NH1-OH 2.84Å; M286-Y288 PolarHBondContact O-N 3.29Å; Y288-R291 PolarHBondContact O-NH1 2.92Å |
| 289 | G | 90.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.5 | 159.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H312 | G289-H312 CarbonylContact C-O 3.56Å; G289-H312 WeakPolarHBondContact CA-O 3.39Å |
| 290 | N | 91.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.064 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119 | -178.1 | -71.9 | -19.9 | 0 | 0 | 0 | 110.6 | L295 Q310 N311 H312 N331 D334 | N290-L295 HydrophobicContact CB-CD1 3.89Å; N290-Q310 HydrophobicContact CB-CB 3.9Å; N290-Q310 PolarHBondContact ND2-OE1 3.34Å; N290-Q310 CarbonylContact O-C 3.45Å; N290-Q310 VanDerWaalsContact O-C 3.24Å; N290-N311 CarbonylContact O-C 3.28Å; N290-N311 VanDerWaalsContact O-CA 3.26Å; N290-N311 WeakPolarHBondContact O-CA 2.92Å; N290-N311 PolarHBondContact O-N 2.89Å; N290-H312 PolarHBondContact N-O 3.16Å; N290-H312 PolarHBondContact O-N 3.35Å; N290-N331 PolarHBondContact ND2-ND2 2.98Å; N290-D334 PolarHBondContact ND2-OD2 3Å; N290-D334 PolarHBondContact OD1-OD2 2.89Å |
| 291 | R | 91.7 | Very high | 92.1 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.038 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 76.9 | -173.8 | -73.9 | -179.5 | -176.2 | 82.1 | -8.6 | 111.2 | F40 Q41 T42 Y288 Q310 N311 | F40-R291 WeakPolarHBondContact O-CB 3.43Å; F40-R291 WeakPolarHBondContact O-CD 3.47Å; Q41-R291 VanDerWaalsContact CA-O 3.27Å; Q41-R291 WeakPolarHBondContact CA-O 3.07Å; Q41-R291 HydrophobicContact CB-CB 4.32Å; T42-R291 PolarHBondContact N-O 3.49Å; T42-R291 VanDerWaalsContact N-O 3.07Å; T42-R291 PolarHBondContact OG1-O 3.24Å; Y288-R291 PolarHBondContact O-NH1 2.92Å; R291-Q310 CarbonylContact C-O 3.57Å; R291-Q310 WeakPolarHBondContact CA-O 3.42Å; R291-N311 WeakPolarHBondContact CG-OD1 3.25Å; R291-N311 PolarHBondContact NE-OD1 3.46Å |
| 292 | G | 90.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 156.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T42 S309 Q310 | T42-G292 VanDerWaalsContact OG1-CA 3.3Å; T42-G292 WeakPolarHBondContact OG1-CA 3.44Å; G292-S309 WeakPolarHBondContact O-CA 3.16Å; G292-Q310 PolarHBondContact N-O 3.34Å; G292-Q310 PolarHBondContact O-N 3.45Å |
| 293 | H | 90.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 15.1 | -175.7 | -58.1 | 171.2 | 0 | 0 | 0 | 112.8 | Q41 V45 S309 H356 A358 P360 | Q41-H293 PolarHBondContact NE2-CD2 2.93Å; Q41-H293 PolarHBondContact NE2-CE1 3.31Å; Q41-H293 PolarHBondContact NE2-NE2 3.08Å; V45-H293 PolarHBondContact O-CE1 3.09Å; V45-H293 PolarHBondContact O-ND1 3.08Å; H293-S309 PolarHBondContact CD2-OG 2.97Å; H293-H356 AromaticContact NE2-CE1 3.99Å; H293-A358 PolarHBondContact CD2-O 2.85Å; H293-A358 PolarHBondContact CE1-O 3.05Å; H293-A358 PolarHBondContact ND1-O 3.38Å; H293-A358 PolarHBondContact NE2-O 3.43Å; H293-P360 WeakPolarHBondContact O-CD 3.43Å; H293-P360 WeakPolarHBondContact O-CG 3.49Å |
| 294 | N | 89.2 | Confident | 91.4 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 22.7 | -163.6 | 56.8 | -20.8 | 0 | 0 | 0 | 112.9 | T308 E741 S743 | N294-T308 PolarHBondContact N-O 3.4Å; N294-E741 HydrophobicContact CB-CB 3.92Å; N294-E741 VanDerWaalsContact CB-O 3.32Å; N294-E741 WeakPolarHBondContact CB-O 3.31Å; N294-E741 PolarHBondContact ND2-O 2.87Å; N294-S743 PolarHBondContact ND2-OG 3.25Å |
| 295 | L | 90.7 | Very high | 91.4 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 16% | 0.157 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 128.4 | -169.3 | -67.8 | 169 | 0 | 0 | 0 | 111.3 | N290 T308 Q310 | N290-L295 HydrophobicContact CB-CD1 3.89Å; L295-T308 PolarHBondContact N-O 3.37Å; L295-T308 PolarHBondContact O-N 2.74Å; L295-T308 PolarHBondContact O-OG1 3.33Å; L295-Q310 HydrophobicContact CB-CG 4.05Å; L295-Q310 HydrophobicContact CD1-CB 3.64Å; L295-Q310 HydrophobicContact CD1-CG 3.7Å |
| 296 | P | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 125.4 | -173.1 | 31.5 | -35.9 | 0 | 0 | 0 | 113.3 | C305 M307 A332 N333 T737 C739 F740 | P296-C305 VanDerWaalsContact CB-SG 3.57Å; P296-M307 HydrophobicContact CB-CE 3.67Å; P296-M307 HydrophobicContact CB-SD 4.4Å; P296-A332 HydrophobicContact CB-CB 4.04Å; P296-A332 HydrophobicContact CG-CB 4Å; P296-A332 PolarHBondContact O-N 2.98Å; P296-N333 WeakPolarHBondContact CD-ND2 3.25Å; P296-N333 VanDerWaalsContact CG-ND2 3.35Å; P296-N333 WeakPolarHBondContact CG-ND2 3.33Å; P296-T737 HydrophobicContact CB-CG2 4.35Å; P296-T737 HydrophobicContact CG-CG2 3.98Å; P296-C739 WeakPolarHBondContact CB-O 3.3Å; P296-F740 HydrophobicContact CG-CB 4.17Å |
| 297 | C | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.1 | 175.2 | -71.6 | 0 | 0 | 0 | 0 | 111 | C305 L306 T308 Q310 F329 V330 F352 | C297-C305 WeakPolarHBondContact O-CA 3.24Å; C297-L306 PolarHBondContact N-O 3.27Å; C297-L306 PolarHBondContact O-N 2.94Å; C297-T308 HydrophobicContact CB-CG2 3.82Å; C297-T308 PolarHBondContact SG-OG1 3.02Å; C297-Q310 PolarHBondContact SG-NE2 3.19Å; C297-F329 HydrophobicContact CB-CD1 4.43Å; C297-V330 CarbonylContact C-O 3.46Å; C297-V330 WeakPolarHBondContact CA-O 3.43Å; C297-F352 HydrophobicContact CB-CE1 4.46Å |
| 298 | L | 94.7 | Very high | 91.6 | Very high | 42 Ų | 42 | 23.8 Ų | 23.8 | 22% | 0.22 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.5 | 174.5 | -73.2 | 166.9 | 0 | 0 | 0 | 110.3 | R300 C305 F329 V330 A332 P726 | L298-R300 PolarHBondContact O-N 2.77Å; L298-C305 HydrophobicContact CD2-CB 3.7Å; L298-F329 WeakPolarHBondContact O-CA 3.39Å; L298-V330 HydrophobicContact CB-CG1 3.84Å; L298-V330 PolarHBondContact N-O 3.27Å; L298-V330 PolarHBondContact O-N 3.45Å; L298-A332 HydrophobicContact CD1-CB 3.84Å; L298-A332 HydrophobicContact CG-CB 3.93Å; L298-P726 HydrophobicContact CD2-CB 3.89Å; L298-P726 HydrophobicContact CD2-CG 4.06Å |
| 299 | H | 95.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 114.5 | 166.4 | -177.8 | -118.4 | 0 | 0 | 0 | 109.7 | A301 T302 G303 R304 L328 F329 L389 | H299-A301 VanDerWaalsContact C-N 3.32Å; H299-A301 PolarHBondContact O-N 3.32Å; H299-T302 WeakPolarHBondContact ND1-CG2 3.46Å; H299-T302 PolarHBondContact ND1-N 2.81Å; H299-T302 PolarHBondContact ND1-OG1 3.18Å; H299-T302 PolarHBondContact O-N 3.26Å; H299-G303 WeakPolarHBondContact O-CA 3.4Å; H299-G303 PolarHBondContact O-N 3.04Å; H299-R304 PolarHBondContact N-O 3.25Å; H299-L328 PolarHBondContact CD2-O 3.38Å; H299-F329 HydrophobicContact CB-CD1 3.96Å; H299-F329 HydrophobicContact CB-CE1 3.62Å; H299-F329 HydrophobicContact CB-CZ 4.46Å; H299-F329 AromaticContact CD2-CE1 3.84Å; H299-F329 AromaticContact CD2-CZ 3.9Å; H299-L389 HydrophobicContact CB-CD1 3.75Å |
| 300 | R | 90.5 | Very high | 92 | Very high | 141 Ų | 141 | 21.2 Ų | 21.2 | 53% | 0.532 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.7 | -170.7 | -74.9 | -64 | -163 | -175.7 | 0.2 | 113.7 | L298 E327 L328 | L298-R300 PolarHBondContact O-N 2.77Å; R300-E327 HydrophobicContact CG-CG 4.01Å; R300-E327 IonicContact CZ-OE2 2.85Å; R300-E327 IonicContact NE-OE2 3.8Å; R300-E327 PolarHBondContact NE-OE2 3.46Å; R300-E327 IonicContact NH2-OE2 3.6Å; R300-E327 PolarHBondContact NH2-OE2 2.88Å; R300-L328 PolarHBondContact N-O 3.13Å; R300-L328 VanDerWaalsContact N-O 3.11Å |
| 301 | A | 89.1 | Confident | 92 | Very high | 66 Ų | 66 | 20.9 Ų | 20.9 | 55% | 0.545 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -29.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H299 E386 | H299-A301 VanDerWaalsContact C-N 3.32Å; H299-A301 PolarHBondContact O-N 3.32Å; A301-E386 HydrophobicContact CB-CG 4.35Å |
| 302 | T | 88.9 | Confident | 92 | Very high | 38 Ų | 38 | 20.7 Ų | 20.7 | 23% | 0.233 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -14.2 | -177.2 | 62.7 | 0 | 0 | 0 | 0 | 114 | H299 R304 E386 L389 R390 | H299-T302 WeakPolarHBondContact ND1-CG2 3.46Å; H299-T302 PolarHBondContact ND1-N 2.81Å; H299-T302 PolarHBondContact ND1-OG1 3.18Å; H299-T302 PolarHBondContact O-N 3.26Å; T302-R304 PolarHBondContact O-N 2.73Å; T302-R304 PolarHBondContact OG1-N 2.85Å; T302-E386 HydrophobicContact CG2-CB 4.48Å; T302-E386 HydrophobicContact CG2-CG 4.04Å; T302-L389 HydrophobicContact CG2-CB 4.1Å; T302-R390 HydrophobicContact CG2-CG 3.99Å |
| 303 | G | 87.4 | Confident | 92.1 | Very high | 45 Ų | 45 | 21 Ų | 21 | 46% | 0.464 | 12% | 0.122 | S | C | . | . | trans | 69.8 | 4.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H299 | H299-G303 WeakPolarHBondContact O-CA 3.4Å; H299-G303 PolarHBondContact O-N 3.04Å | ||
| 304 | R | 90.8 | Very high | 92.3 | Very high | 19 Ų | 19 | 21.5 Ų | 21.5 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | trans | -70.2 | 134.2 | 176.5 | -72.6 | -65.9 | -63 | -85.2 | 0.3 | 110.3 | H299 T302 L389 Y619 N620 | H299-R304 PolarHBondContact N-O 3.25Å; T302-R304 PolarHBondContact O-N 2.73Å; T302-R304 PolarHBondContact OG1-N 2.85Å; R304-L389 HydrophobicContact CG-CB 4.35Å; R304-L389 WeakPolarHBondContact CG-O 3.34Å; R304-L389 PolarHBondContact NH1-O 2.69Å; R304-Y619 WeakPolarHBondContact CD-O 3.36Å; R304-N620 PolarHBondContact NH2-ND2 3.07Å; R304-N620 PolarHBondContact NH2-O 2.79Å | ||
| 305 | C | 93.2 | Very high | 92.6 | Very high | 6 Ų | 6 | 21.1 Ų | 21.1 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.9 | 172.7 | -165.7 | 0 | 0 | 0 | 0 | 110 | P296 C297 L298 N621 P726 C739 | P296-C305 VanDerWaalsContact CB-SG 3.57Å; C297-C305 WeakPolarHBondContact O-CA 3.24Å; L298-C305 HydrophobicContact CD2-CB 3.7Å; C305-N621 PolarHBondContact N-OD1 3.35Å; C305-P726 HydrophobicContact CB-CB 4.48Å; C305-P726 HydrophobicContact CB-CG 3.61Å; C305-C739 VanDerWaalsContact CB-SG 3.59Å; C305-C739 VanDerWaalsContact SG-SG 3.63Å |
| 306 | L | 93.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 5% | 0.047 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.5 | -178.8 | -60.2 | 167.5 | 0 | 0 | 0 | 108.9 | C297 F329 T363 F365 L389 | C297-L306 PolarHBondContact N-O 3.27Å; C297-L306 PolarHBondContact O-N 2.94Å; L306-F329 HydrophobicContact CD1-CE1 3.95Å; L306-F329 HydrophobicContact CD1-CZ 4.46Å; L306-T363 HydrophobicContact CB-CG2 3.98Å; L306-T363 HydrophobicContact CD1-CG2 3.74Å; L306-T363 HydrophobicContact CG-CG2 4.46Å; L306-F365 HydrophobicContact CD1-CE1 4.13Å; L306-F365 HydrophobicContact CD1-CZ 4.4Å; L306-L389 HydrophobicContact CD1-CD1 4.26Å; L306-L389 HydrophobicContact CD1-CD2 3.88Å; L306-L389 HydrophobicContact CD2-CD2 4.18Å |
| 307 | M | 94.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.3 | 173.8 | -60.9 | -56.6 | 99 | 0 | 0 | 109.2 | P296 P360 I623 C739 E741 | P296-M307 HydrophobicContact CB-CE 3.67Å; P296-M307 HydrophobicContact CB-SD 4.4Å; M307-P360 HydrophobicContact CB-CB 4.33Å; M307-P360 HydrophobicContact CB-CG 4.14Å; M307-P360 WeakPolarHBondContact O-CG 3.45Å; M307-I623 HydrophobicContact CE-CG2 3.84Å; M307-I623 HydrophobicContact CG-CG2 4.07Å; M307-I623 HydrophobicContact SD-CG2 3.94Å; M307-C739 WeakPolarHBondContact CE-O 3.42Å; M307-E741 HydrophobicContact CG-CG 3.95Å; M307-E741 HydrophobicContact SD-CG 4.09Å |
| 308 | T | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 150.6 | -175.2 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | N294 L295 C297 Q310 F352 T363 | N294-T308 PolarHBondContact N-O 3.4Å; L295-T308 PolarHBondContact N-O 3.37Å; L295-T308 PolarHBondContact O-N 2.74Å; L295-T308 PolarHBondContact O-OG1 3.33Å; C297-T308 HydrophobicContact CB-CG2 3.82Å; C297-T308 PolarHBondContact SG-OG1 3.02Å; T308-Q310 PolarHBondContact OG1-NE2 3.39Å; T308-Q310 VanDerWaalsContact OG1-NE2 3.15Å; T308-F352 HydrophobicContact CG2-CB 4.28Å; T308-F352 HydrophobicContact CG2-CD1 4.09Å; T308-F352 HydrophobicContact CG2-CD2 3.66Å; T308-F352 HydrophobicContact CG2-CE1 4.32Å; T308-F352 HydrophobicContact CG2-CE2 3.92Å; T308-F352 HydrophobicContact CG2-CG 3.76Å; T308-F352 HydrophobicContact CG2-CZ 4.24Å; T308-T363 HydrophobicContact CG2-CG2 3.99Å |
| 309 | S | 93.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 126.8 | 164.9 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | G292 H293 H353 H356 | G292-S309 WeakPolarHBondContact O-CA 3.16Å; H293-S309 PolarHBondContact CD2-OG 2.97Å; S309-H353 PolarHBondContact O-N 2.93Å; S309-H356 VanDerWaalsContact CB-CG 3.46Å; S309-H356 PolarHBondContact OG-CD2 2.93Å; S309-H356 VanDerWaalsContact OG-CG 3.24Å; S309-H356 PolarHBondContact OG-NE2 3.22Å |
| 310 | Q | 93.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.2 | 178.1 | -49.9 | -176.1 | 4.3 | 0 | 0 | 108.8 | N290 R291 G292 L295 C297 T308 H312 N331 E338 F352 | N290-Q310 HydrophobicContact CB-CB 3.9Å; N290-Q310 PolarHBondContact ND2-OE1 3.34Å; N290-Q310 CarbonylContact O-C 3.45Å; N290-Q310 VanDerWaalsContact O-C 3.24Å; R291-Q310 CarbonylContact C-O 3.57Å; R291-Q310 WeakPolarHBondContact CA-O 3.42Å; G292-Q310 PolarHBondContact N-O 3.34Å; G292-Q310 PolarHBondContact O-N 3.45Å; L295-Q310 HydrophobicContact CB-CG 4.05Å; L295-Q310 HydrophobicContact CD1-CB 3.64Å; L295-Q310 HydrophobicContact CD1-CG 3.7Å; C297-Q310 PolarHBondContact SG-NE2 3.19Å; T308-Q310 PolarHBondContact OG1-NE2 3.39Å; T308-Q310 VanDerWaalsContact OG1-NE2 3.15Å; Q310-H312 PolarHBondContact OE1-NE2 2.94Å; Q310-N331 PolarHBondContact OE1-ND2 2.88Å; Q310-E338 PolarHBondContact OE1-OE1 2.86Å; Q310-E338 VanDerWaalsContact OE1-OE1 3.08Å; Q310-F352 HydrophobicContact CG-CB 3.8Å |
| 311 | N | 91 | Very high | 91.9 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 69.6 | 173.2 | 179 | 20.9 | 0 | 0 | 0 | 109.3 | D53 S55 Y56 N290 R291 | D53-N311 PolarHBondContact OD2-ND2 2.86Å; S55-N311 VanDerWaalsContact CB-ND2 3.33Å; S55-N311 WeakPolarHBondContact CB-ND2 3.34Å; Y56-N311 WeakPolarHBondContact CD2-ND2 3.47Å; Y56-N311 WeakPolarHBondContact CE1-OD1 3.47Å; Y56-N311 WeakPolarHBondContact CE2-ND2 3.36Å; Y56-N311 VanDerWaalsContact CZ-OD1 3.29Å; Y56-N311 PolarHBondContact OH-OD1 3.1Å; N290-N311 CarbonylContact O-C 3.28Å; N290-N311 VanDerWaalsContact O-CA 3.26Å; N290-N311 WeakPolarHBondContact O-CA 2.92Å; N290-N311 PolarHBondContact O-N 2.89Å; R291-N311 WeakPolarHBondContact CG-OD1 3.25Å; R291-N311 PolarHBondContact NE-OD1 3.46Å |
| 312 | H | 92.8 | Very high | 92 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 147.3 | -176 | 65.8 | 80.9 | 0 | 0 | 0 | 111.9 | G289 N290 Q310 Y314 E338 Q351 | G289-H312 CarbonylContact C-O 3.56Å; G289-H312 WeakPolarHBondContact CA-O 3.39Å; N290-H312 PolarHBondContact N-O 3.16Å; N290-H312 PolarHBondContact O-N 3.35Å; Q310-H312 PolarHBondContact OE1-NE2 2.94Å; H312-Y314 PolarHBondContact ND1-O 3.43Å; H312-E338 IonicContact CE1-OE1 3.83Å; H312-E338 PolarHBondContact CE1-OE1 3.26Å; H312-E338 IonicContact NE2-OE1 2.89Å; H312-E338 PolarHBondContact NE2-OE1 3.02Å; H312-E338 IonicContact NE2-OE2 2.96Å; H312-Q351 VanDerWaalsContact CG-NE2 3.28Å; H312-Q351 WeakPolarHBondContact NE2-CG 3.45Å |
| 313 | G | 92.7 | Very high | 92.1 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 2.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K285 M286 | K285-G313 VanDerWaalsContact CD-O 3.31Å; K285-G313 WeakPolarHBondContact CD-O 3.44Å; M286-G313 PolarHBondContact N-O 2.72Å |
| 314 | Y | 94.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 143.3 | -176.7 | -68.3 | -92.9 | 0 | 0 | 0 | 108.5 | G242 N243 P244 Q273 Y284 K285 H312 Q351 | G242-Y314 WeakPolarHBondContact O-CE2 3.35Å; N243-Y314 HydrophobicContact CB-CE1 4.44Å; N243-Y314 HydrophobicContact CB-CE2 4.47Å; N243-Y314 WeakPolarHBondContact CB-OH 3.29Å; P244-Y314 HydrophobicContact CG-CG 4.28Å; Q273-Y314 PolarHBondContact NE2-O 2.87Å; Y284-Y314 VanDerWaalsContact O-CA 3.23Å; Y284-Y314 WeakPolarHBondContact O-CA 3.26Å; K285-Y314 HydrophobicContact CB-CD1 3.99Å; K285-Y314 HydrophobicContact CB-CE1 3.69Å; K285-Y314 HydrophobicContact CD-CD1 4.1Å; K285-Y314 HydrophobicContact CD-CD2 4.17Å; K285-Y314 HydrophobicContact CD-CE1 3.61Å; K285-Y314 HydrophobicContact CD-CE2 3.68Å; K285-Y314 HydrophobicContact CD-CG 4.35Å; K285-Y314 HydrophobicContact CG-CE1 4.23Å; H312-Y314 PolarHBondContact ND1-O 3.43Å; Y314-Q351 PolarHBondContact O-OE1 3.22Å |
| 315 | A | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 156.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T283 Y284 M286 T336 | T283-A315 CarbonylContact C-O 3.55Å; T283-A315 VanDerWaalsContact CA-O 3.27Å; T283-A315 WeakPolarHBondContact CA-O 3.36Å; Y284-A315 WeakPolarHBondContact CD1-O 3.26Å; Y284-A315 HydrophobicContact CE1-CB 3.82Å; Y284-A315 HydrophobicContact CE2-CB 4.14Å; Y284-A315 PolarHBondContact N-O 2.72Å; Y284-A315 PolarHBondContact O-N 3.37Å; M286-A315 HydrophobicContact CG-CB 3.98Å; M286-A315 HydrophobicContact SD-CB 3.99Å; A315-T336 HydrophobicContact CB-CG2 4.41Å |
| 316 | V | 95.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.9 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 109.8 | H272 Q273 A276 C281 T283 L318 | H272-V316 WeakPolarHBondContact NE2-CG2 3.38Å; Q273-V316 HydrophobicContact CG-CG2 4.28Å; A276-V316 HydrophobicContact CB-CB 4.24Å; A276-V316 HydrophobicContact CB-CG1 3.63Å; A276-V316 HydrophobicContact CB-CG2 3.49Å; A276-V316 VanDerWaalsContact CB-CG2 3.49Å; C281-V316 HydrophobicContact CB-CG1 3.94Å; T283-V316 HydrophobicContact CG2-CG2 4.1Å; V316-L318 HydrophobicContact CG1-CD2 4.16Å |
| 317 | D | 93.7 | Very high | 92.6 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.4 | 170.4 | -174.8 | -6.5 | 0 | 0 | 0 | 109.8 | S282 Y284 E319 | S282-D317 PolarHBondContact O-N 3.01Å; S282-D317 WeakPolarHBondContact OG-CB 3.48Å; Y284-D317 HydrophobicContact CD1-CB 4.23Å; Y284-D317 HydrophobicContact CE1-CB 4.49Å; D317-E319 WeakPolarHBondContact OD1-CB 3.47Å; D317-E319 WeakPolarHBondContact OD1-CG 3.34Å; D317-E319 PolarHBondContact OD1-N 3.14Å |
| 318 | L | 90.2 | Very high | 92.7 | Very high | 47 Ų | 47 | 40.2 Ų | 40.2 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -85.9 | -2.9 | -178 | -63.4 | -178.6 | 0 | 0 | 0 | 113.9 | V316 Q320 L321 E327 N337 I340 | V316-L318 HydrophobicContact CG1-CD2 4.16Å; L318-Q320 PolarHBondContact O-N 2.79Å; L318-L321 HydrophobicContact CD2-CD1 4.09Å; L318-L321 HydrophobicContact CD2-CD2 4.39Å; L318-L321 VanDerWaalsContact O-CB 3.32Å; L318-L321 WeakPolarHBondContact O-CB 3.47Å; L318-L321 PolarHBondContact O-N 2.87Å; L318-E327 HydrophobicContact CD1-CB 3.89Å; L318-E327 HydrophobicContact CD1-CG 4.12Å; L318-E327 VanDerWaalsContact CD1-OE1 3.32Å; L318-E327 WeakPolarHBondContact CD1-OE1 3.35Å; L318-N337 HydrophobicContact CD1-CB 3.92Å; L318-N337 HydrophobicContact CD2-CB 4.2Å; L318-N337 HydrophobicContact CG-CB 3.9Å; L318-I340 HydrophobicContact CD2-CG2 3.81Å |
| 319 | E | 89.1 | Confident | 92.8 | Very high | 174 Ų | 174 | 40.2 Ų | 40.2 | 81% | 0.813 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -56.1 | -26.6 | 176.9 | -75 | -170.9 | 175.7 | 0 | 0 | 112.4 | D317 | D317-E319 WeakPolarHBondContact OD1-CB 3.47Å; D317-E319 WeakPolarHBondContact OD1-CG 3.34Å; D317-E319 PolarHBondContact OD1-N 3.14Å |
| 320 | Q | 85.2 | Confident | 92.9 | Very high | 109 Ų | 109 | 40.4 Ų | 40.4 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -107.2 | 23.4 | -178.6 | -59.4 | 178.7 | 9.9 | 0 | 0 | 112.8 | G280 L318 P322 | G280-Q320 PolarHBondContact O-OE1 2.75Å; L318-Q320 PolarHBondContact O-N 2.79Å; Q320-P322 VanDerWaalsContact O-CD 3.26Å; Q320-P322 WeakPolarHBondContact O-CD 3.16Å |
| 321 | L | 91.1 | Very high | 93 | Very high | 46 Ų | 46 | 40.5 Ų | 40.5 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 118.3 | 179.4 | -167.5 | 67.5 | 0 | 0 | 0 | 110.7 | I279 L318 W325 I340 | I279-L321 HydrophobicContact CD1-CD1 4.17Å; L318-L321 HydrophobicContact CD2-CD1 4.09Å; L318-L321 HydrophobicContact CD2-CD2 4.39Å; L318-L321 VanDerWaalsContact O-CB 3.32Å; L318-L321 WeakPolarHBondContact O-CB 3.47Å; L318-L321 PolarHBondContact O-N 2.87Å; L321-W325 HydrophobicContact CD1-CB 3.7Å; L321-W325 HydrophobicContact CD2-CB 4.27Å; L321-W325 HydrophobicContact CG-CB 3.82Å; L321-I340 HydrophobicContact CD1-CG2 4.12Å |
| 322 | P | 92.3 | Very high | 93 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -69.3 | 156.7 | -177.5 | -17.7 | 30.7 | 0 | 0 | 0 | 113.6 | I279 Q320 G324 W325 | I279-P322 HydrophobicContact CB-CG 4.24Å; I279-P322 HydrophobicContact CD1-CG 4.44Å; I279-P322 HydrophobicContact CG1-CG 4.4Å; I279-P322 WeakPolarHBondContact O-CG 3.49Å; Q320-P322 VanDerWaalsContact O-CD 3.26Å; Q320-P322 WeakPolarHBondContact O-CD 3.16Å; P322-G324 PolarHBondContact O-N 3.41Å; P322-W325 WeakPolarHBondContact O-CB 3.11Å; P322-W325 PolarHBondContact O-N 2.92Å; P322-W325 VanDerWaalsContact O-N 3.14Å |
| 323 | D | 89.8 | Confident | 92.8 | Very high | 168 Ų | 168 | 43.7 Ų | 43.7 | 90% | 0.898 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 134.6 | 174.1 | -72.4 | -27.9 | 0 | 0 | 0 | 111.9 | ||
| 324 | G | 91 | Very high | 92.7 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -9.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P322 A343 | P322-G324 PolarHBondContact O-N 3.41Å; G324-A343 WeakPolarHBondContact O-CB 3.27Å; G324-A343 PolarHBondContact O-N 3.27Å |
| 325 | W | 95.1 | Very high | 92.5 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 154.1 | 168.4 | -67.5 | 83 | 0 | 0 | 0 | 111.5 | L275 I279 L321 P322 I340 V341 H342 Y347 | L275-W325 HydrophobicContact CD1-CH2 4.26Å; L275-W325 HydrophobicContact CD2-CH2 4.08Å; L275-W325 HydrophobicContact CD2-CZ3 4.22Å; L275-W325 HydrophobicContact CG-CH2 4.22Å; I279-W325 HydrophobicContact CB-CZ2 4.49Å; I279-W325 HydrophobicContact CD1-CD2 3.64Å; I279-W325 HydrophobicContact CD1-CE3 3.96Å; I279-W325 HydrophobicContact CD1-CG 3.93Å; I279-W325 HydrophobicContact CD1-CZ2 4.31Å; I279-W325 HydrophobicContact CD1-CZ3 4.38Å; I279-W325 HydrophobicContact CG2-CH2 4.02Å; I279-W325 HydrophobicContact CG2-CZ2 3.41Å; I279-W325 VanDerWaalsContact CG2-CZ2 3.41Å; L321-W325 HydrophobicContact CD1-CB 3.7Å; L321-W325 HydrophobicContact CD2-CB 4.27Å; L321-W325 HydrophobicContact CG-CB 3.82Å; P322-W325 WeakPolarHBondContact O-CB 3.11Å; P322-W325 PolarHBondContact O-N 2.92Å; P322-W325 VanDerWaalsContact O-N 3.14Å; W325-I340 HydrophobicContact CE3-CB 4.26Å; W325-I340 HydrophobicContact CE3-CD1 4.15Å; W325-I340 HydrophobicContact CE3-CG1 4.33Å; W325-I340 HydrophobicContact CZ3-CD1 4.05Å; W325-I340 HydrophobicContact CZ3-CG1 4.22Å; W325-V341 CarbonylContact C-O 3.4Å; W325-V341 WeakPolarHBondContact CA-O 3.36Å; W325-H342 HydrophobicContact CD2-CB 4.09Å; W325-H342 AromaticContact CE2-CD2 3.64Å; W325-H342 HydrophobicContact CE3-CB 4.11Å; W325-H342 HydrophobicContact CH2-CB 4.18Å; W325-H342 HydrophobicContact CZ2-CB 4.1Å; W325-H342 AromaticContact CZ2-CD2 3.94Å; W325-H342 HydrophobicContact CZ3-CB 4.17Å; W325-H342 AromaticContact NE1-CD2 3.55Å; W325-Y347 VanDerWaalsContact CH2-CB 3.45Å; W325-Y347 HydrophobicContact CH2-CD2 4.11Å; W325-Y347 HydrophobicContact CH2-CG 4.24Å; W325-Y347 AromaticContact CZ2-CD2 3.91Å; W325-Y347 HydrophobicContact CZ2-CD2 3.91Å; W325-Y347 HydrophobicContact CZ2-CG 4.5Å |
| 326 | S | 94.9 | Very high | 92.5 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.1 | 176.7 | 54 | 0 | 0 | 0 | 0 | 110.8 | L328 I340 V341 | S326-L328 PolarHBondContact O-N 3.35Å; S326-I340 WeakPolarHBondContact O-CA 3.49Å; S326-V341 PolarHBondContact N-O 3.2Å; S326-V341 PolarHBondContact O-N 2.82Å; S326-V341 VanDerWaalsContact OG-CG1 3.31Å; S326-V341 WeakPolarHBondContact OG-CG1 3.42Å; S326-V341 PolarHBondContact OG-O 3.45Å |
| 327 | E | 95.3 | Very high | 92.5 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 124.2 | 168.3 | 175 | 166.2 | -115.8 | 0 | 0 | 109.9 | R300 L318 N337 | R300-E327 HydrophobicContact CG-CG 4.01Å; R300-E327 IonicContact CZ-OE2 2.85Å; R300-E327 IonicContact NE-OE2 3.8Å; R300-E327 PolarHBondContact NE-OE2 3.46Å; R300-E327 IonicContact NH2-OE2 3.6Å; R300-E327 PolarHBondContact NH2-OE2 2.88Å; L318-E327 HydrophobicContact CD1-CB 3.89Å; L318-E327 HydrophobicContact CD1-CG 4.12Å; L318-E327 VanDerWaalsContact CD1-OE1 3.32Å; L318-E327 WeakPolarHBondContact CD1-OE1 3.35Å; E327-N337 WeakPolarHBondContact CG-ND2 3.48Å; E327-N337 PolarHBondContact OE1-ND2 3.28Å |
| 328 | L | 96.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -53.3 | -178.5 | -178.9 | 65.1 | 0 | 0 | 0 | 111.3 | H299 R300 S326 G339 V341 F348 V350 I385 | H299-L328 PolarHBondContact CD2-O 3.38Å; R300-L328 PolarHBondContact N-O 3.13Å; R300-L328 VanDerWaalsContact N-O 3.11Å; S326-L328 PolarHBondContact O-N 3.35Å; L328-G339 PolarHBondContact N-O 3.32Å; L328-V341 HydrophobicContact CB-CB 4.16Å; L328-V341 HydrophobicContact CB-CG1 3.97Å; L328-V341 HydrophobicContact CD1-CB 4.16Å; L328-V341 HydrophobicContact CD1-CG1 3.84Å; L328-V341 HydrophobicContact CD2-CB 4.32Å; L328-V341 HydrophobicContact CG-CB 4.43Å; L328-V341 HydrophobicContact CG-CG1 4.38Å; L328-F348 HydrophobicContact CD2-CD2 4.26Å; L328-V350 HydrophobicContact CD2-CG1 4.33Å; L328-I385 HydrophobicContact CD1-CD1 3.78Å; L328-I385 HydrophobicContact CD2-CD1 3.88Å; L328-I385 HydrophobicContact CG-CD1 4.42Å |
| 329 | F | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 147.1 | 178.7 | -67.4 | -81.5 | 0 | 0 | 0 | 110.3 | C297 L298 H299 L306 E338 G339 V350 F352 L366 | C297-F329 HydrophobicContact CB-CD1 4.43Å; L298-F329 WeakPolarHBondContact O-CA 3.39Å; H299-F329 HydrophobicContact CB-CD1 3.96Å; H299-F329 HydrophobicContact CB-CE1 3.62Å; H299-F329 HydrophobicContact CB-CZ 4.46Å; H299-F329 AromaticContact CD2-CE1 3.84Å; H299-F329 AromaticContact CD2-CZ 3.9Å; L306-F329 HydrophobicContact CD1-CE1 3.95Å; L306-F329 HydrophobicContact CD1-CZ 4.46Å; F329-E338 HydrophobicContact CB-CB 3.9Å; F329-E338 CarbonylContact O-C 3.59Å; F329-E338 WeakPolarHBondContact O-CA 3.43Å; F329-E338 PolarHBondContact O-N 3.38Å; F329-G339 PolarHBondContact O-N 3.1Å; F329-V350 HydrophobicContact CD2-CG1 3.87Å; F329-V350 HydrophobicContact CE2-CG1 4.09Å; F329-F352 HydrophobicContact CB-CE1 3.92Å; F329-F352 HydrophobicContact CD1-CE1 4.38Å; F329-F352 AromaticContact CD2-CE1 3.77Å; F329-F352 HydrophobicContact CD2-CE1 3.77Å; F329-F352 AromaticContact CD2-CZ 3.86Å; F329-F352 HydrophobicContact CD2-CZ 3.86Å; F329-F352 HydrophobicContact CE2-CE1 4.4Å; F329-F352 HydrophobicContact CE2-CZ 4.02Å; F329-F352 AromaticContact CG-CE1 3.78Å; F329-F352 HydrophobicContact CG-CE1 3.78Å; F329-F352 HydrophobicContact CG-CZ 4.16Å; F329-F352 HydrophobicContact CZ-CZ 4.43Å; F329-L366 HydrophobicContact CE2-CD1 4.23Å; F329-L366 HydrophobicContact CE2-CD2 4.38Å |
| 330 | V | 96 | Very high | 93.4 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.2 | 172.5 | 66 | 0 | 0 | 0 | 0 | 109.1 | C297 L298 A332 T336 | C297-V330 CarbonylContact C-O 3.46Å; C297-V330 WeakPolarHBondContact CA-O 3.43Å; L298-V330 HydrophobicContact CB-CG1 3.84Å; L298-V330 PolarHBondContact N-O 3.27Å; L298-V330 PolarHBondContact O-N 3.45Å; V330-A332 PolarHBondContact O-N 2.72Å; V330-T336 WeakPolarHBondContact CG2-O 3.42Å |
| 331 | N | 94.3 | Very high | 94 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 125.4 | 170.5 | -174.5 | -44.2 | 0 | 0 | 0 | 109.6 | N290 Q310 N333 D334 G335 T336 E338 | N290-N331 PolarHBondContact ND2-ND2 2.98Å; Q310-N331 PolarHBondContact OE1-ND2 2.88Å; N331-N333 PolarHBondContact O-N 3.26Å; N331-N333 WeakPolarHBondContact OD1-CB 3.25Å; N331-N333 PolarHBondContact OD1-N 3.01Å; N331-D334 WeakPolarHBondContact CB-OD1 3.23Å; N331-D334 PolarHBondContact OD1-N 3.04Å; N331-G335 WeakPolarHBondContact O-CA 3.39Å; N331-G335 PolarHBondContact O-N 2.9Å; N331-T336 WeakPolarHBondContact CB-OG1 3.33Å; N331-T336 PolarHBondContact N-O 2.93Å; N331-E338 HydrophobicContact CB-CG 3.74Å |
| 332 | A | 91.7 | Very high | 94.2 | Very high | 29 Ų | 29 | 29.6 Ų | 29.6 | 24% | 0.24 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P296 L298 V330 T737 | P296-A332 HydrophobicContact CB-CB 4.04Å; P296-A332 HydrophobicContact CG-CB 4Å; P296-A332 PolarHBondContact O-N 2.98Å; L298-A332 HydrophobicContact CD1-CB 3.84Å; L298-A332 HydrophobicContact CG-CB 3.93Å; V330-A332 PolarHBondContact O-N 2.72Å; A332-T737 HydrophobicContact CB-CG2 3.86Å |
| 333 | N | 88.6 | Confident | 94.2 | Very high | 49 Ų | 49 | 30.2 Ų | 30.2 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -41.8 | -175 | -72.4 | -28.6 | 0 | 0 | 0 | 113.4 | P296 N331 T736 T737 | P296-N333 WeakPolarHBondContact CD-ND2 3.25Å; P296-N333 VanDerWaalsContact CG-ND2 3.35Å; P296-N333 WeakPolarHBondContact CG-ND2 3.33Å; N331-N333 PolarHBondContact O-N 3.26Å; N331-N333 WeakPolarHBondContact OD1-CB 3.25Å; N331-N333 PolarHBondContact OD1-N 3.01Å; N333-T736 HydrophobicContact CB-CG2 4.2Å; N333-T736 WeakPolarHBondContact OD1-CB 3.41Å; N333-T737 WeakPolarHBondContact OD1-CG2 3.39Å; N333-T737 PolarHBondContact OD1-N 2.9Å |
| 334 | D | 89.5 | Confident | 94.1 | Very high | 62 Ų | 62 | 26.3 Ų | 26.3 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -6.3 | -174.9 | 67.6 | 16 | 0 | 0 | 0 | 114.2 | N290 N331 T336 | N290-D334 PolarHBondContact ND2-OD2 3Å; N290-D334 PolarHBondContact OD1-OD2 2.89Å; N331-D334 WeakPolarHBondContact CB-OD1 3.23Å; N331-D334 PolarHBondContact OD1-N 3.04Å; D334-T336 PolarHBondContact O-N 3.46Å; D334-T336 VanDerWaalsContact OD1-CB 3.32Å; D334-T336 WeakPolarHBondContact OD1-CB 3.34Å; D334-T336 WeakPolarHBondContact OD1-CG2 3.36Å; D334-T336 PolarHBondContact OD1-N 2.97Å; D334-T336 PolarHBondContact OD1-OG1 2.84Å; D334-T336 PolarHBondContact OD2-OG1 2.85Å |
| 335 | G | 91.3 | Very high | 94.2 | Very high | 49 Ų | 49 | 28.4 Ų | 28.4 | 51% | 0.505 | 18% | 0.178 | S | C | . | . | trans | 72 | 8.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N331 | N331-G335 WeakPolarHBondContact O-CA 3.39Å; N331-G335 PolarHBondContact O-N 2.9Å | ||
| 336 | T | 94.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | trans | -64.7 | 146.3 | 177.2 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | M286 A315 V330 N331 D334 E338 | M286-T336 HydrophobicContact CE-CG2 3.86Å; A315-T336 HydrophobicContact CB-CG2 4.41Å; V330-T336 WeakPolarHBondContact CG2-O 3.42Å; N331-T336 WeakPolarHBondContact CB-OG1 3.33Å; N331-T336 PolarHBondContact N-O 2.93Å; D334-T336 PolarHBondContact O-N 3.46Å; D334-T336 VanDerWaalsContact OD1-CB 3.32Å; D334-T336 WeakPolarHBondContact OD1-CB 3.34Å; D334-T336 WeakPolarHBondContact OD1-CG2 3.36Å; D334-T336 PolarHBondContact OD1-N 2.97Å; D334-T336 PolarHBondContact OD1-OG1 2.84Å; D334-T336 PolarHBondContact OD2-OG1 2.85Å; T336-E338 PolarHBondContact O-N 2.9Å | ||
| 337 | N | 96.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 122.7 | 176.6 | 179.5 | -115.4 | 0 | 0 | 0 | 110 | H272 L318 E327 G339 | H272-N337 PolarHBondContact CE1-OD1 2.96Å; H272-N337 PolarHBondContact NE2-OD1 3.26Å; L318-N337 HydrophobicContact CD1-CB 3.92Å; L318-N337 HydrophobicContact CD2-CB 4.2Å; L318-N337 HydrophobicContact CG-CB 3.9Å; E327-N337 WeakPolarHBondContact CG-ND2 3.48Å; E327-N337 PolarHBondContact OE1-ND2 3.28Å; N337-G339 PolarHBondContact ND2-O 3.18Å |
| 338 | E | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 2 | -177.5 | -74.3 | -65.7 | 156.5 | 0 | 0 | 112.6 | Q310 H312 F329 N331 T336 V350 Q351 F352 | Q310-E338 PolarHBondContact OE1-OE1 2.86Å; Q310-E338 VanDerWaalsContact OE1-OE1 3.08Å; H312-E338 IonicContact CE1-OE1 3.83Å; H312-E338 PolarHBondContact CE1-OE1 3.26Å; H312-E338 IonicContact NE2-OE1 2.89Å; H312-E338 PolarHBondContact NE2-OE1 3.02Å; H312-E338 IonicContact NE2-OE2 2.96Å; F329-E338 HydrophobicContact CB-CB 3.9Å; F329-E338 CarbonylContact O-C 3.59Å; F329-E338 WeakPolarHBondContact O-CA 3.43Å; F329-E338 PolarHBondContact O-N 3.38Å; N331-E338 HydrophobicContact CB-CG 3.74Å; T336-E338 PolarHBondContact O-N 2.9Å; E338-V350 CarbonylContact O-C 3.56Å; E338-V350 VanDerWaalsContact O-CA 3.28Å; E338-V350 WeakPolarHBondContact O-CA 3.48Å; E338-Q351 PolarHBondContact O-N 3.1Å; E338-Q351 WeakPolarHBondContact OE2-CB 3.4Å; E338-F352 HydrophobicContact CB-CD1 4.04Å; E338-F352 HydrophobicContact CB-CE1 4.39Å; E338-F352 WeakPolarHBondContact O-CE1 3.3Å; E338-F352 PolarHBondContact OE2-N 2.98Å; E338-F352 VanDerWaalsContact OE2-N 3.08Å |
| 339 | G | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.5 | 157.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L328 F329 N337 S349 | L328-G339 PolarHBondContact N-O 3.32Å; F329-G339 PolarHBondContact O-N 3.1Å; N337-G339 PolarHBondContact ND2-O 3.18Å; G339-S349 CarbonylContact C-O 3.52Å; G339-S349 WeakPolarHBondContact CA-O 3.37Å |
| 340 | I | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 148.8 | 176 | 54.9 | 172.1 | 0 | 0 | 0 | 110.2 | A276 I279 L318 L321 W325 S326 F348 S349 | A276-I340 HydrophobicContact CB-CD1 3.99Å; I279-I340 HydrophobicContact CD1-CD1 3.83Å; L318-I340 HydrophobicContact CD2-CG2 3.81Å; L321-I340 HydrophobicContact CD1-CG2 4.12Å; W325-I340 HydrophobicContact CE3-CB 4.26Å; W325-I340 HydrophobicContact CE3-CD1 4.15Å; W325-I340 HydrophobicContact CE3-CG1 4.33Å; W325-I340 HydrophobicContact CZ3-CD1 4.05Å; W325-I340 HydrophobicContact CZ3-CG1 4.22Å; S326-I340 WeakPolarHBondContact O-CA 3.49Å; I340-F348 CarbonylContact O-C 3.49Å; I340-F348 VanDerWaalsContact O-CA 3.23Å; I340-F348 WeakPolarHBondContact O-CA 3.46Å; I340-S349 WeakPolarHBondContact CG1-OG 3.24Å; I340-S349 PolarHBondContact N-O 3.24Å; I340-S349 PolarHBondContact O-N 3.4Å |
| 341 | V | 96.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.3 | 178.4 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | W325 S326 L328 F348 I381 P382 | W325-V341 CarbonylContact C-O 3.4Å; W325-V341 WeakPolarHBondContact CA-O 3.36Å; S326-V341 PolarHBondContact N-O 3.2Å; S326-V341 PolarHBondContact O-N 2.82Å; S326-V341 VanDerWaalsContact OG-CG1 3.31Å; S326-V341 WeakPolarHBondContact OG-CG1 3.42Å; S326-V341 PolarHBondContact OG-O 3.45Å; L328-V341 HydrophobicContact CB-CB 4.16Å; L328-V341 HydrophobicContact CB-CG1 3.97Å; L328-V341 HydrophobicContact CD1-CB 4.16Å; L328-V341 HydrophobicContact CD1-CG1 3.84Å; L328-V341 HydrophobicContact CD2-CB 4.32Å; L328-V341 HydrophobicContact CG-CB 4.43Å; L328-V341 HydrophobicContact CG-CG1 4.38Å; V341-F348 HydrophobicContact CB-CB 4.09Å; V341-F348 HydrophobicContact CG2-CB 3.91Å; V341-I381 HydrophobicContact CG2-CB 4.02Å; V341-I381 HydrophobicContact CG2-CG2 3.85Å; V341-P382 HydrophobicContact CG1-CG 4.29Å; V341-P382 HydrophobicContact CG2-CG 3.79Å |
| 342 | H | 95.6 | Very high | 94.4 | Very high | 30 Ų | 30 | 23.7 Ų | 23.7 | 14% | 0.139 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 138.5 | 171.8 | -170 | -57.9 | 0 | 0 | 0 | 110.6 | W325 S344 K345 Y347 | W325-H342 HydrophobicContact CD2-CB 4.09Å; W325-H342 AromaticContact CE2-CD2 3.64Å; W325-H342 HydrophobicContact CE3-CB 4.11Å; W325-H342 HydrophobicContact CH2-CB 4.18Å; W325-H342 HydrophobicContact CZ2-CB 4.1Å; W325-H342 AromaticContact CZ2-CD2 3.94Å; W325-H342 HydrophobicContact CZ3-CB 4.17Å; W325-H342 AromaticContact NE1-CD2 3.55Å; H342-S344 PolarHBondContact CE1-OG 2.95Å; H342-S344 PolarHBondContact ND1-N 2.82Å; H342-S344 VanDerWaalsContact ND1-N 3.15Å; H342-S344 PolarHBondContact O-N 3.27Å; H342-K345 HydrophobicContact CB-CB 4.23Å; H342-K345 PolarHBondContact ND1-N 2.84Å; H342-Y347 HydrophobicContact CB-CD2 4.32Å; H342-Y347 PolarHBondContact N-O 2.79Å |
| 343 | A | 91.5 | Very high | 94.6 | Very high | 55 Ų | 55 | 22.3 Ų | 22.3 | 46% | 0.455 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -61.5 | -43 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G324 | G324-A343 WeakPolarHBondContact O-CB 3.27Å; G324-A343 PolarHBondContact O-N 3.27Å |
| 344 | S | 89.3 | Confident | 94.8 | Very high | 85 Ų | 85 | 20 Ų | 20 | 59% | 0.594 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -120.9 | -20.7 | -176.6 | 58.6 | 0 | 0 | 0 | 0 | 116.4 | H342 | H342-S344 PolarHBondContact CE1-OG 2.95Å; H342-S344 PolarHBondContact ND1-N 2.82Å; H342-S344 VanDerWaalsContact ND1-N 3.15Å; H342-S344 PolarHBondContact O-N 3.27Å |
| 345 | K | 92.2 | Very high | 94.9 | Very high | 84 Ų | 84 | 17.1 Ų | 17.1 | 37% | 0.365 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -91.2 | 151.2 | 177.8 | -62.9 | -63.2 | -169.4 | 171 | 0 | 110.2 | G261 H342 Y347 | G261-K345 PolarHBondContact O-NZ 3.38Å; H342-K345 HydrophobicContact CB-CB 4.23Å; H342-K345 PolarHBondContact ND1-N 2.84Å; K345-Y347 HydrophobicContact CB-CD2 3.55Å; K345-Y347 HydrophobicContact CB-CE2 3.54Å; K345-Y347 HydrophobicContact CB-CG 4.12Å; K345-Y347 HydrophobicContact CG-CD2 4.41Å; K345-Y347 HydrophobicContact CG-CE2 4.01Å; K345-Y347 PolarHBondContact O-N 2.71Å |
| 346 | P | 92.5 | Very high | 94.2 | Very high | 29 Ų | 29 | 15 Ų | 15 | 19% | 0.188 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -79 | 50 | -175.2 | 34.8 | -37.8 | 0 | 0 | 0 | 112.3 | P264 V265 | P264-P346 CarbonylContact C-O 3.38Å; P264-P346 VanDerWaalsContact CA-O 3.23Å; P264-P346 WeakPolarHBondContact CA-O 3.09Å; P264-P346 HydrophobicContact CB-CB 4.04Å; P264-P346 HydrophobicContact CB-CG 4.42Å; P264-P346 HydrophobicContact CG-CB 3.94Å; P264-P346 HydrophobicContact CG-CG 4.15Å; V265-P346 PolarHBondContact N-O 3.19Å |
| 347 | Y | 95.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 2% | 0.024 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.4 | -176.7 | -46.7 | -37.2 | 0 | 0 | 0 | 110.2 | I258 G261 K263 V265 W325 H342 K345 | I258-Y347 HydrophobicContact CB-CE2 4.05Å; I258-Y347 HydrophobicContact CG2-CD2 4.45Å; I258-Y347 HydrophobicContact CG2-CE1 4.49Å; I258-Y347 HydrophobicContact CG2-CE2 4.29Å; I258-Y347 PolarHBondContact O-OH 3.03Å; G261-Y347 WeakPolarHBondContact CA-OH 3.34Å; G261-Y347 PolarHBondContact N-OH 3.21Å; K263-Y347 VanDerWaalsContact O-CE1 3.23Å; K263-Y347 WeakPolarHBondContact O-CE1 3.3Å; V265-Y347 HydrophobicContact CB-CD1 3.87Å; V265-Y347 HydrophobicContact CG2-CD1 3.73Å; V265-Y347 HydrophobicContact CG2-CE1 3.9Å; W325-Y347 VanDerWaalsContact CH2-CB 3.45Å; W325-Y347 HydrophobicContact CH2-CD2 4.11Å; W325-Y347 HydrophobicContact CH2-CG 4.24Å; W325-Y347 AromaticContact CZ2-CD2 3.91Å; W325-Y347 HydrophobicContact CZ2-CD2 3.91Å; W325-Y347 HydrophobicContact CZ2-CG 4.5Å; H342-Y347 HydrophobicContact CB-CD2 4.32Å; H342-Y347 PolarHBondContact N-O 2.79Å; K345-Y347 HydrophobicContact CB-CD2 3.55Å; K345-Y347 HydrophobicContact CB-CE2 3.54Å; K345-Y347 HydrophobicContact CB-CG 4.12Å; K345-Y347 HydrophobicContact CG-CD2 4.41Å; K345-Y347 HydrophobicContact CG-CE2 4.01Å; K345-Y347 PolarHBondContact O-N 2.71Å |
| 348 | F | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 162.2 | 171.7 | 74.7 | -68.9 | 0 | 0 | 0 | 110.9 | V265 F266 G267 L328 I340 V341 L366 V369 F370 I381 | V265-F348 PolarHBondContact O-N 2.79Å; V265-F348 VanDerWaalsContact O-N 3.07Å; F266-F348 VanDerWaalsContact CA-O 3.32Å; F266-F348 WeakPolarHBondContact CA-O 3.43Å; F266-F348 HydrophobicContact CB-CD1 4.41Å; F266-F348 HydrophobicContact CB-CE1 3.84Å; F266-F348 HydrophobicContact CB-CZ 4.07Å; F266-F348 HydrophobicContact CD1-CE1 4.47Å; F266-F348 HydrophobicContact CD1-CE2 4.41Å; F266-F348 AromaticContact CD1-CZ 3.87Å; F266-F348 HydrophobicContact CD1-CZ 3.87Å; F266-F348 HydrophobicContact CD2-CD1 4.21Å; F266-F348 AromaticContact CD2-CD2 3.74Å; F266-F348 HydrophobicContact CD2-CD2 3.74Å; F266-F348 AromaticContact CD2-CE1 3.85Å; F266-F348 HydrophobicContact CD2-CE1 3.85Å; F266-F348 AromaticContact CD2-CE2 3.34Å; F266-F348 HydrophobicContact CD2-CE2 3.34Å; F266-F348 HydrophobicContact CD2-CG 4.16Å; F266-F348 AromaticContact CD2-CZ 3.4Å; F266-F348 HydrophobicContact CD2-CZ 3.4Å; F266-F348 HydrophobicContact CE1-CE2 4.35Å; F266-F348 HydrophobicContact CE1-CZ 4.15Å; F266-F348 AromaticContact CE2-CD2 3.8Å; F266-F348 HydrophobicContact CE2-CD2 3.8Å; F266-F348 AromaticContact CE2-CE2 3.25Å; F266-F348 HydrophobicContact CE2-CE2 3.25Å; F266-F348 AromaticContact CE2-CZ 3.7Å; F266-F348 HydrophobicContact CE2-CZ 3.7Å; F266-F348 AromaticContact CG-CE1 3.82Å; F266-F348 HydrophobicContact CG-CE1 3.82Å; F266-F348 AromaticContact CG-CE2 3.98Å; F266-F348 HydrophobicContact CG-CE2 3.98Å; F266-F348 AromaticContact CG-CZ 3.52Å; F266-F348 HydrophobicContact CG-CZ 3.52Å; F266-F348 AromaticContact CZ-CE2 3.81Å; F266-F348 HydrophobicContact CZ-CE2 3.81Å; F266-F348 HydrophobicContact CZ-CZ 4.07Å; G267-F348 PolarHBondContact N-O 2.94Å; L328-F348 HydrophobicContact CD2-CD2 4.26Å; I340-F348 CarbonylContact O-C 3.49Å; I340-F348 VanDerWaalsContact O-CA 3.23Å; I340-F348 WeakPolarHBondContact O-CA 3.46Å; V341-F348 HydrophobicContact CB-CB 4.09Å; V341-F348 HydrophobicContact CG2-CB 3.91Å; F348-L366 HydrophobicContact CE2-CB 4.34Å; F348-L366 HydrophobicContact CE2-CD2 4.24Å; F348-V369 HydrophobicContact CZ-CG1 4.31Å; F348-F370 HydrophobicContact CE1-CB 4.16Å; F348-F370 HydrophobicContact CE1-CD2 4.17Å; F348-F370 HydrophobicContact CZ-CB 4.07Å; F348-I381 HydrophobicContact CB-CG2 3.94Å; F348-I381 HydrophobicContact CD1-CD1 3.95Å; F348-I381 HydrophobicContact CD1-CG1 4.11Å; F348-I381 HydrophobicContact CD1-CG2 3.8Å; F348-I381 HydrophobicContact CD2-CG2 4.27Å; F348-I381 HydrophobicContact CE1-CD1 3.99Å; F348-I381 HydrophobicContact CE1-CG2 4.34Å; F348-I381 HydrophobicContact CG-CG2 3.76Å |
| 349 | S | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 158.6 | 174.1 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | G267 H272 G339 I340 | G267-S349 CarbonylContact O-C 3.48Å; G267-S349 WeakPolarHBondContact O-CA 3.09Å; G267-S349 WeakPolarHBondContact O-CB 3.41Å; H272-S349 PolarHBondContact ND1-OG 3.24Å; G339-S349 CarbonylContact C-O 3.52Å; G339-S349 WeakPolarHBondContact CA-O 3.37Å; I340-S349 WeakPolarHBondContact CG1-OG 3.24Å; I340-S349 PolarHBondContact N-O 3.24Å; I340-S349 PolarHBondContact O-N 3.4Å |
| 350 | V | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.7 | 179.6 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | F266 G267 I268 C269 H272 L328 F329 E338 F352 P354 L366 | F266-V350 HydrophobicContact CE2-CG2 3.88Å; F266-V350 HydrophobicContact CZ-CG2 4.12Å; G267-V350 PolarHBondContact O-N 3.14Å; I268-V350 CarbonylContact C-O 3.58Å; I268-V350 VanDerWaalsContact CA-O 3.31Å; I268-V350 WeakPolarHBondContact CA-O 3.18Å; I268-V350 HydrophobicContact CG1-CG2 4.29Å; C269-V350 PolarHBondContact N-O 3.44Å; H272-V350 WeakPolarHBondContact CB-O 3.29Å; L328-V350 HydrophobicContact CD2-CG1 4.33Å; F329-V350 HydrophobicContact CD2-CG1 3.87Å; F329-V350 HydrophobicContact CE2-CG1 4.09Å; E338-V350 CarbonylContact O-C 3.56Å; E338-V350 VanDerWaalsContact O-CA 3.28Å; E338-V350 WeakPolarHBondContact O-CA 3.48Å; V350-F352 HydrophobicContact CB-CD1 4.14Å; V350-F352 HydrophobicContact CB-CE1 3.8Å; V350-F352 HydrophobicContact CB-CE2 4.18Å; V350-F352 HydrophobicContact CB-CG 4.49Å; V350-F352 HydrophobicContact CB-CZ 3.82Å; V350-F352 HydrophobicContact CG1-CE1 3.93Å; V350-F352 HydrophobicContact CG1-CE2 4.41Å; V350-F352 HydrophobicContact CG1-CZ 3.74Å; V350-F352 HydrophobicContact CG2-CD2 4.44Å; V350-F352 HydrophobicContact CG2-CE2 4.19Å; V350-F352 HydrophobicContact CG2-CZ 4.31Å; V350-P354 HydrophobicContact CG2-CG 3.5Å; V350-P354 VanDerWaalsContact CG2-CG 3.5Å; V350-L366 HydrophobicContact CG1-CD1 3.94Å; V350-L366 HydrophobicContact CG2-CD1 4.45Å |
| 351 | Q | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -84.2 | -35.5 | -176.6 | 179.3 | 60 | 77.5 | 0 | 0 | 111.8 | C269 H272 Q273 H312 Y314 E338 | C269-Q351 WeakPolarHBondContact CA-O 3.46Å; H272-Q351 PolarHBondContact CD2-OE1 3.04Å; H272-Q351 VanDerWaalsContact CD2-OE1 3.26Å; Q273-Q351 VanDerWaalsContact CG-OE1 3.29Å; H312-Q351 VanDerWaalsContact CG-NE2 3.28Å; H312-Q351 WeakPolarHBondContact NE2-CG 3.45Å; Y314-Q351 PolarHBondContact O-OE1 3.22Å; E338-Q351 PolarHBondContact O-N 3.1Å; E338-Q351 WeakPolarHBondContact OE2-CB 3.4Å |
| 352 | F | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -68.1 | 175.6 | 167.9 | 62.9 | -94.8 | 0 | 0 | 0 | 112.5 | I268 C297 T308 Q310 F329 E338 V350 P354 T363 L366 | I268-F352 WeakPolarHBondContact CG2-O 3.37Å; C297-F352 HydrophobicContact CB-CE1 4.46Å; T308-F352 HydrophobicContact CG2-CB 4.28Å; T308-F352 HydrophobicContact CG2-CD1 4.09Å; T308-F352 HydrophobicContact CG2-CD2 3.66Å; T308-F352 HydrophobicContact CG2-CE1 4.32Å; T308-F352 HydrophobicContact CG2-CE2 3.92Å; T308-F352 HydrophobicContact CG2-CG 3.76Å; T308-F352 HydrophobicContact CG2-CZ 4.24Å; Q310-F352 HydrophobicContact CG-CB 3.8Å; F329-F352 HydrophobicContact CB-CE1 3.92Å; F329-F352 HydrophobicContact CD1-CE1 4.38Å; F329-F352 AromaticContact CD2-CE1 3.77Å; F329-F352 HydrophobicContact CD2-CE1 3.77Å; F329-F352 AromaticContact CD2-CZ 3.86Å; F329-F352 HydrophobicContact CD2-CZ 3.86Å; F329-F352 HydrophobicContact CE2-CE1 4.4Å; F329-F352 HydrophobicContact CE2-CZ 4.02Å; F329-F352 AromaticContact CG-CE1 3.78Å; F329-F352 HydrophobicContact CG-CE1 3.78Å; F329-F352 HydrophobicContact CG-CZ 4.16Å; F329-F352 HydrophobicContact CZ-CZ 4.43Å; E338-F352 HydrophobicContact CB-CD1 4.04Å; E338-F352 HydrophobicContact CB-CE1 4.39Å; E338-F352 WeakPolarHBondContact O-CE1 3.3Å; E338-F352 PolarHBondContact OE2-N 2.98Å; E338-F352 VanDerWaalsContact OE2-N 3.08Å; V350-F352 HydrophobicContact CB-CD1 4.14Å; V350-F352 HydrophobicContact CB-CE1 3.8Å; V350-F352 HydrophobicContact CB-CE2 4.18Å; V350-F352 HydrophobicContact CB-CG 4.49Å; V350-F352 HydrophobicContact CB-CZ 3.82Å; V350-F352 HydrophobicContact CG1-CE1 3.93Å; V350-F352 HydrophobicContact CG1-CE2 4.41Å; V350-F352 HydrophobicContact CG1-CZ 3.74Å; V350-F352 HydrophobicContact CG2-CD2 4.44Å; V350-F352 HydrophobicContact CG2-CE2 4.19Å; V350-F352 HydrophobicContact CG2-CZ 4.31Å; F352-P354 HydrophobicContact CD2-CG 4.06Å; F352-P354 HydrophobicContact CE2-CB 4.44Å; F352-P354 HydrophobicContact CE2-CG 3.77Å; F352-P354 VanDerWaalsContact O-CD 3.23Å; F352-P354 WeakPolarHBondContact O-CD 3.47Å; F352-T363 HydrophobicContact CE2-CG2 3.68Å; F352-T363 WeakPolarHBondContact CE2-OG1 3.44Å; F352-T363 HydrophobicContact CZ-CG2 4.04Å; F352-L366 HydrophobicContact CE2-CD1 4.06Å; F352-L366 HydrophobicContact CZ-CD1 4.02Å |
| 353 | H | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -109.7 | 94.6 | -178.1 | -68.3 | -86.3 | 0 | 0 | 0 | 111.9 | K204 S309 E355 H356 | K204-H353 PolarHBondContact NZ-CE1 3.18Å; K204-H353 VanDerWaalsContact NZ-CE1 3.34Å; K204-H353 PolarHBondContact NZ-ND1 3.09Å; K204-H353 PolarHBondContact NZ-NE2 3.07Å; S309-H353 PolarHBondContact O-N 2.93Å; H353-E355 WeakPolarHBondContact CA-OE2 3.31Å; H353-E355 IonicContact CE1-OE1 3.52Å; H353-E355 IonicContact CG-OE1 3.3Å; H353-E355 IonicContact ND1-OE1 2.7Å; H353-E355 PolarHBondContact ND1-OE1 2.89Å; H353-E355 PolarHBondContact O-N 3.47Å; H353-H356 HydrophobicContact CB-CB 3.89Å; H353-H356 AromaticContact CG-CD2 3.91Å; H353-H356 WeakPolarHBondContact O-CB 3.46Å; H353-H356 PolarHBondContact O-N 3.34Å |
| 354 | P | 93.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.7 | 173.6 | -15.8 | 22.7 | 0 | 0 | 0 | 114.5 | F266 I268 V350 F352 H356 T363 L366 F367 | F266-P354 HydrophobicContact CZ-CG 4.24Å; I268-P354 HydrophobicContact CD1-CG 4.36Å; V350-P354 HydrophobicContact CG2-CG 3.5Å; V350-P354 VanDerWaalsContact CG2-CG 3.5Å; F352-P354 HydrophobicContact CD2-CG 4.06Å; F352-P354 HydrophobicContact CE2-CB 4.44Å; F352-P354 HydrophobicContact CE2-CG 3.77Å; F352-P354 VanDerWaalsContact O-CD 3.23Å; F352-P354 WeakPolarHBondContact O-CD 3.47Å; P354-H356 VanDerWaalsContact C-N 3.32Å; P354-T363 WeakPolarHBondContact CA-OG1 3.21Å; P354-T363 WeakPolarHBondContact CB-O 3.35Å; P354-L366 HydrophobicContact CB-CD1 4.27Å; P354-L366 HydrophobicContact CG-CD1 3.85Å; P354-F367 HydrophobicContact CB-CD2 4.5Å; P354-F367 HydrophobicContact CB-CE2 4.07Å |
| 355 | E | 91.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.009 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.6 | -179.6 | 75.3 | -83.6 | -164.8 | 0 | 0 | 113.8 | K204 N206 Q207 I268 H353 H357 F367 | K204-E355 HydrophobicContact CB-CG 4.44Å; K204-E355 HydrophobicContact CD-CG 4.34Å; N206-E355 HydrophobicContact CB-CB 4.49Å; N206-E355 WeakPolarHBondContact CB-O 3.42Å; N206-E355 PolarHBondContact ND2-O 3.43Å; Q207-E355 HydrophobicContact CB-CG 4.46Å; Q207-E355 HydrophobicContact CG-CB 3.94Å; Q207-E355 HydrophobicContact CG-CG 3.39Å; Q207-E355 PolarHBondContact NE2-OE1 3.47Å; I268-E355 WeakPolarHBondContact CD1-OE2 2.92Å; I268-E355 WeakPolarHBondContact CG2-OE2 3.45Å; H353-E355 WeakPolarHBondContact CA-OE2 3.31Å; H353-E355 IonicContact CE1-OE1 3.52Å; H353-E355 IonicContact CG-OE1 3.3Å; H353-E355 IonicContact ND1-OE1 2.7Å; H353-E355 PolarHBondContact ND1-OE1 2.89Å; H353-E355 PolarHBondContact O-N 3.47Å; E355-H357 PolarHBondContact O-N 2.97Å; E355-H357 VanDerWaalsContact O-N 3.16Å; E355-F367 HydrophobicContact CB-CE2 3.74Å; E355-F367 HydrophobicContact CB-CZ 3.75Å |
| 356 | H | 77 | Confident | 92 | Very high | 3 Ų | 3 | 11.1 Ų | 11.1 | 1% | 0.014 | 6% | 0.055 | C | C | . | . | trans | -58.7 | 127.1 | -156 | -153.5 | -76.4 | 0 | 0 | 0 | 112.1 | K204 H293 S309 H353 P354 A358 | K204-H356 PolarHBondContact NZ-CD2 3.41Å; K204-H356 PolarHBondContact NZ-NE2 3.35Å; H293-H356 AromaticContact NE2-CE1 3.99Å; S309-H356 VanDerWaalsContact CB-CG 3.46Å; S309-H356 PolarHBondContact OG-CD2 2.93Å; S309-H356 VanDerWaalsContact OG-CG 3.24Å; S309-H356 PolarHBondContact OG-NE2 3.22Å; H353-H356 HydrophobicContact CB-CB 3.89Å; H353-H356 AromaticContact CG-CD2 3.91Å; H353-H356 WeakPolarHBondContact O-CB 3.46Å; H353-H356 PolarHBondContact O-N 3.34Å; P354-H356 VanDerWaalsContact C-N 3.32Å; H356-A358 PolarHBondContact CE1-O 2.96Å; H356-A358 WeakPolarHBondContact ND1-CA 3.42Å; H356-A358 PolarHBondContact ND1-N 3.34Å; H356-A358 PolarHBondContact ND1-O 3.43Å | ||
| 357 | H | 78.6 | Confident | 92.2 | Very high | 16 Ų | 16 | 9.7 Ų | 9.7 | 7% | 0.074 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -72.9 | -34.7 | 179.2 | -159.4 | 60.5 | 0 | 0 | 0 | 112.1 | E49 L85 E88 N206 E355 | E49-H357 HydrophobicContact CG-CB 4.19Å; L85-H357 PolarHBondContact O-NE2 2.97Å; E88-H357 HydrophobicContact CG-CB 4.33Å; E88-H357 WeakPolarHBondContact OE1-CB 3.35Å; E88-H357 PolarHBondContact OE1-N 3.28Å; N206-H357 HydrophobicContact CB-CB 4.28Å; E355-H357 PolarHBondContact O-N 2.97Å; E355-H357 VanDerWaalsContact O-N 3.16Å |
| 358 | A | 83.2 | Confident | 92.2 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -98.7 | 91.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E49 H293 H356 D652 | E49-A358 HydrophobicContact CB-CB 3.42Å; E49-A358 VanDerWaalsContact CB-CB 3.42Å; E49-A358 HydrophobicContact CG-CB 3.82Å; H293-A358 PolarHBondContact CD2-O 2.85Å; H293-A358 PolarHBondContact CE1-O 3.05Å; H293-A358 PolarHBondContact ND1-O 3.38Å; H293-A358 PolarHBondContact NE2-O 3.43Å; H356-A358 PolarHBondContact CE1-O 2.96Å; H356-A358 WeakPolarHBondContact ND1-CA 3.42Å; H356-A358 PolarHBondContact ND1-N 3.34Å; H356-A358 PolarHBondContact ND1-O 3.43Å; A358-D652 VanDerWaalsContact CA-OD2 3.31Å; A358-D652 WeakPolarHBondContact CA-OD2 3.38Å |
| 359 | G | 87.4 | Confident | 92.1 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | S | Bend | trans | 139.6 | -172.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D652 Q656 | G359-D652 PolarHBondContact N-OD2 3.45Å; G359-Q656 VanDerWaalsContact O-CD 3.22Å; G359-Q656 VanDerWaalsContact O-CG 3.31Å; G359-Q656 WeakPolarHBondContact O-CG 3.41Å; G359-Q656 PolarHBondContact O-OE1 3.08Å |
| 360 | P | 91 | Very high | 92 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -72.1 | 140 | -171.4 | 28.5 | -36.9 | 0 | 0 | 0 | 111.9 | H293 M307 D362 R659 | H293-P360 WeakPolarHBondContact O-CD 3.43Å; H293-P360 WeakPolarHBondContact O-CG 3.49Å; M307-P360 HydrophobicContact CB-CB 4.33Å; M307-P360 HydrophobicContact CB-CG 4.14Å; M307-P360 WeakPolarHBondContact O-CG 3.45Å; P360-D362 VanDerWaalsContact C-N 3.28Å; P360-R659 VanDerWaalsContact CB-NH1 3.33Å | ||
| 361 | Q | 89.7 | Confident | 91.8 | Very high | 81 Ų | 81 | 12.4 Ų | 12.4 | 38% | 0.379 | 6% | 0.061 | S | C | . | . | trans | -89.1 | 9.5 | 174.3 | -65.2 | 174.5 | -10.8 | 0 | 0 | 112.7 | T363 E364 | Q361-T363 PolarHBondContact O-N 2.89Å; Q361-E364 WeakPolarHBondContact O-CB 3.27Å; Q361-E364 PolarHBondContact O-N 3.2Å | ||
| 362 | D | 91.8 | Very high | 91.5 | Very high | 29 Ų | 29 | 14.7 Ų | 14.7 | 16% | 0.155 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.5 | -169.2 | -63.4 | 12.7 | 0 | 0 | 0 | 114 | P360 R659 | P360-D362 VanDerWaalsContact C-N 3.28Å; D362-R659 IonicContact OD1-CZ 3.59Å; D362-R659 IonicContact OD1-NH1 3.15Å; D362-R659 PolarHBondContact OD1-NH1 3.34Å; D362-R659 IonicContact OD1-NH2 3.19Å; D362-R659 IonicContact OD2-CZ 3.86Å; D362-R659 IonicContact OD2-NH1 3.96Å; D362-R659 IonicContact OD2-NH2 3.58Å; D362-R659 PolarHBondContact OD2-NH2 3.07Å |
| 363 | T | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 5.2 | -179.6 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | L306 T308 F352 P354 Q361 F365 L366 | L306-T363 HydrophobicContact CB-CG2 3.98Å; L306-T363 HydrophobicContact CD1-CG2 3.74Å; L306-T363 HydrophobicContact CG-CG2 4.46Å; T308-T363 HydrophobicContact CG2-CG2 3.99Å; F352-T363 HydrophobicContact CE2-CG2 3.68Å; F352-T363 WeakPolarHBondContact CE2-OG1 3.44Å; F352-T363 HydrophobicContact CZ-CG2 4.04Å; P354-T363 WeakPolarHBondContact CA-OG1 3.21Å; P354-T363 WeakPolarHBondContact CB-O 3.35Å; Q361-T363 PolarHBondContact O-N 2.89Å; T363-F365 PolarHBondContact O-N 3.48Å; T363-L366 WeakPolarHBondContact O-CB 3.3Å; T363-L366 VanDerWaalsContact O-CG 3.3Å; T363-L366 WeakPolarHBondContact O-CG 3.26Å; T363-L366 PolarHBondContact O-N 3.36Å |
| 364 | E | 94.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 16.4 Ų | 16.4 | 15% | 0.154 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.4 | -179.2 | -158.1 | -162.5 | 126.4 | 0 | 0 | 112.4 | R214 Q361 L366 F367 | R214-E364 IonicContact CZ-OE1 3.6Å; R214-E364 IonicContact NH1-OE1 3.58Å; R214-E364 PolarHBondContact NH1-OE1 2.78Å; R214-E364 IonicContact NH2-OE1 3.67Å; R214-E364 PolarHBondContact NH2-OE1 3.15Å; Q361-E364 WeakPolarHBondContact O-CB 3.27Å; Q361-E364 PolarHBondContact O-N 3.2Å; E364-L366 PolarHBondContact O-N 3.2Å; E364-F367 HydrophobicContact CG-CD2 4.16Å; E364-F367 WeakPolarHBondContact O-CB 3.49Å; E364-F367 WeakPolarHBondContact O-CD2 3.34Å; E364-F367 PolarHBondContact O-N 3.49Å |
| 365 | F | 94.4 | Very high | 90.7 | Very high | 32 Ų | 32 | 23 Ų | 23 | 14% | 0.14 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.7 | -17.8 | 174.5 | 77.3 | -94.1 | 0 | 0 | 0 | 113.8 | L306 T363 F367 D368 V369 I385 R388 L389 | L306-F365 HydrophobicContact CD1-CE1 4.13Å; L306-F365 HydrophobicContact CD1-CZ 4.4Å; T363-F365 PolarHBondContact O-N 3.48Å; F365-F367 PolarHBondContact O-N 3.45Å; F365-D368 WeakPolarHBondContact CA-OD2 3.34Å; F365-D368 WeakPolarHBondContact O-CA 3.47Å; F365-D368 VanDerWaalsContact O-CB 3.28Å; F365-D368 WeakPolarHBondContact O-CB 3.39Å; F365-D368 PolarHBondContact O-N 3.34Å; F365-V369 HydrophobicContact CD2-CG2 4.13Å; F365-V369 HydrophobicContact CE2-CG2 4.45Å; F365-V369 PolarHBondContact O-N 2.81Å; F365-I385 HydrophobicContact CE2-CG2 4.29Å; F365-R388 HydrophobicContact CD2-CB 4.28Å; F365-R388 VanDerWaalsContact CD2-CD 3.41Å; F365-R388 HydrophobicContact CD2-CG 4.5Å; F365-R388 HydrophobicContact CE2-CB 4.42Å; F365-L389 HydrophobicContact CE1-CD2 3.99Å; F365-L389 HydrophobicContact CZ-CD1 4.18Å; F365-L389 HydrophobicContact CZ-CD2 3.75Å; F365-L389 HydrophobicContact CZ-CG 4Å |
| 366 | L | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -26.4 | 173.2 | -67 | 175.6 | 0 | 0 | 0 | 112.2 | F266 F329 F348 V350 F352 P354 T363 E364 V369 F370 I385 | F266-L366 HydrophobicContact CE1-CB 4.49Å; F266-L366 HydrophobicContact CZ-CB 4.08Å; F329-L366 HydrophobicContact CE2-CD1 4.23Å; F329-L366 HydrophobicContact CE2-CD2 4.38Å; F348-L366 HydrophobicContact CE2-CB 4.34Å; F348-L366 HydrophobicContact CE2-CD2 4.24Å; V350-L366 HydrophobicContact CG1-CD1 3.94Å; V350-L366 HydrophobicContact CG2-CD1 4.45Å; F352-L366 HydrophobicContact CE2-CD1 4.06Å; F352-L366 HydrophobicContact CZ-CD1 4.02Å; P354-L366 HydrophobicContact CB-CD1 4.27Å; P354-L366 HydrophobicContact CG-CD1 3.85Å; T363-L366 WeakPolarHBondContact O-CB 3.3Å; T363-L366 VanDerWaalsContact O-CG 3.3Å; T363-L366 WeakPolarHBondContact O-CG 3.26Å; T363-L366 PolarHBondContact O-N 3.36Å; E364-L366 PolarHBondContact O-N 3.2Å; L366-V369 PolarHBondContact O-N 3.13Å; L366-F370 PolarHBondContact O-N 2.95Å; L366-I385 HydrophobicContact CD2-CD1 3.93Å; L366-I385 HydrophobicContact CD2-CG1 4.07Å |
| 367 | F | 96.4 | Very high | 90 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -36.6 | 168.9 | -73.7 | -89.1 | 0 | 0 | 0 | 111.7 | C210 L211 F236 F266 I268 P354 E355 E364 F365 F370 M371 | C210-F367 HydrophobicContact CB-CB 4.45Å; C210-F367 HydrophobicContact CB-CD1 3.66Å; C210-F367 HydrophobicContact CB-CD2 3.89Å; C210-F367 HydrophobicContact CB-CE1 3.77Å; C210-F367 HydrophobicContact CB-CE2 4Å; C210-F367 HydrophobicContact CB-CG 3.74Å; C210-F367 HydrophobicContact CB-CZ 3.96Å; L211-F367 HydrophobicContact CD2-CD1 3.76Å; L211-F367 HydrophobicContact CD2-CE1 4.23Å; L211-F367 HydrophobicContact CG-CD1 3.97Å; L211-F367 HydrophobicContact CG-CE1 4.06Å; F236-F367 HydrophobicContact CE2-CD1 4.29Å; F236-F367 AromaticContact CE2-CE1 3.58Å; F236-F367 HydrophobicContact CE2-CE1 3.58Å; F236-F367 HydrophobicContact CE2-CZ 4.21Å; F236-F367 AromaticContact CZ-CE1 3.7Å; F236-F367 HydrophobicContact CZ-CE1 3.7Å; F236-F367 HydrophobicContact CZ-CZ 4.01Å; F266-F367 HydrophobicContact CE1-CE1 4.47Å; F266-F367 HydrophobicContact CE1-CZ 4.5Å; I268-F367 HydrophobicContact CD1-CE2 4.34Å; I268-F367 HydrophobicContact CD1-CZ 3.79Å; P354-F367 HydrophobicContact CB-CD2 4.5Å; P354-F367 HydrophobicContact CB-CE2 4.07Å; E355-F367 HydrophobicContact CB-CE2 3.74Å; E355-F367 HydrophobicContact CB-CZ 3.75Å; E364-F367 HydrophobicContact CG-CD2 4.16Å; E364-F367 WeakPolarHBondContact O-CB 3.49Å; E364-F367 WeakPolarHBondContact O-CD2 3.34Å; E364-F367 PolarHBondContact O-N 3.49Å; F365-F367 PolarHBondContact O-N 3.45Å; F367-F370 PolarHBondContact O-N 2.85Å; F367-M371 WeakPolarHBondContact O-CG 3.46Å; F367-M371 PolarHBondContact O-N 3.37Å |
| 368 | D | 94.9 | Very high | 90.1 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 173.2 | -56.6 | -46.4 | 0 | 0 | 0 | 110.8 | R214 F365 F370 M371 E372 | R214-D368 IonicContact CZ-OD1 2.93Å; R214-D368 IonicContact NE-OD1 3.16Å; R214-D368 PolarHBondContact NE-OD1 3.2Å; R214-D368 IonicContact NH2-OD1 2.84Å; R214-D368 PolarHBondContact NH2-OD1 3.05Å; R214-D368 IonicContact NH2-OD2 2.83Å; F365-D368 WeakPolarHBondContact CA-OD2 3.34Å; F365-D368 WeakPolarHBondContact O-CA 3.47Å; F365-D368 VanDerWaalsContact O-CB 3.28Å; F365-D368 WeakPolarHBondContact O-CB 3.39Å; F365-D368 PolarHBondContact O-N 3.34Å; D368-F370 VanDerWaalsContact C-N 3.32Å; D368-F370 PolarHBondContact O-N 3.45Å; D368-M371 PolarHBondContact O-N 3.4Å; D368-E372 WeakPolarHBondContact O-CB 3.15Å; D368-E372 WeakPolarHBondContact O-CG 3.47Å; D368-E372 PolarHBondContact O-N 2.85Å |
| 369 | V | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 176 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | F348 F365 L366 E372 S373 I381 L384 I385 | F348-V369 HydrophobicContact CZ-CG1 4.31Å; F365-V369 HydrophobicContact CD2-CG2 4.13Å; F365-V369 HydrophobicContact CE2-CG2 4.45Å; F365-V369 PolarHBondContact O-N 2.81Å; L366-V369 PolarHBondContact O-N 3.13Å; V369-E372 PolarHBondContact O-N 3.33Å; V369-S373 WeakPolarHBondContact O-CB 3.17Å; V369-S373 PolarHBondContact O-N 2.99Å; V369-I381 HydrophobicContact CG1-CD1 3.97Å; V369-I381 HydrophobicContact CG1-CG2 3.95Å; V369-L384 HydrophobicContact CG1-CB 3.93Å; V369-L384 HydrophobicContact CG1-CD1 4.3Å; V369-L384 HydrophobicContact CG2-CB 4.2Å; V369-I385 HydrophobicContact CB-CG1 4.49Å; V369-I385 HydrophobicContact CG1-CD1 4.49Å; V369-I385 HydrophobicContact CG1-CG1 3.92Å; V369-I385 HydrophobicContact CG2-CG1 3.97Å |
| 370 | F | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 176.2 | -178.9 | -125.4 | 0 | 0 | 0 | 111.6 | I196 L211 A234 L235 F236 P264 F266 F348 L366 F367 D368 S373 | I196-F370 HydrophobicContact CD1-CE1 3.98Å; I196-F370 HydrophobicContact CG2-CE1 4.07Å; I196-F370 HydrophobicContact CG2-CZ 4.41Å; L211-F370 HydrophobicContact CD2-CD1 3.89Å; L211-F370 HydrophobicContact CD2-CE1 4.11Å; A234-F370 HydrophobicContact CB-CE1 4.4Å; A234-F370 HydrophobicContact CB-CE2 4.01Å; A234-F370 HydrophobicContact CB-CZ 3.61Å; L235-F370 WeakPolarHBondContact O-CZ 3.42Å; F236-F370 HydrophobicContact CB-CE1 4.26Å; F236-F370 HydrophobicContact CB-CZ 4.25Å; F236-F370 HydrophobicContact CD2-CD1 4.18Å; F236-F370 AromaticContact CD2-CE1 3.79Å; F236-F370 HydrophobicContact CD2-CE1 3.79Å; F236-F370 HydrophobicContact CD2-CZ 4.3Å; P264-F370 HydrophobicContact CB-CD2 4.2Å; P264-F370 HydrophobicContact CB-CE2 3.83Å; F266-F370 HydrophobicContact CB-CB 4.4Å; F266-F370 HydrophobicContact CB-CD1 4.35Å; F266-F370 HydrophobicContact CB-CD2 3.42Å; F266-F370 VanDerWaalsContact CB-CD2 3.42Å; F266-F370 HydrophobicContact CB-CE1 4.48Å; F266-F370 HydrophobicContact CB-CE2 3.58Å; F266-F370 HydrophobicContact CB-CG 3.82Å; F266-F370 HydrophobicContact CB-CZ 4.12Å; F266-F370 HydrophobicContact CD1-CB 3.94Å; F266-F370 HydrophobicContact CD1-CD1 4.3Å; F266-F370 HydrophobicContact CD1-CD2 4.46Å; F266-F370 HydrophobicContact CD1-CG 4Å; F266-F370 HydrophobicContact CG-CB 4.47Å; F266-F370 HydrophobicContact CG-CD2 4.34Å; F266-F370 HydrophobicContact CG-CG 4.33Å; F348-F370 HydrophobicContact CE1-CB 4.16Å; F348-F370 HydrophobicContact CE1-CD2 4.17Å; F348-F370 HydrophobicContact CZ-CB 4.07Å; L366-F370 PolarHBondContact O-N 2.95Å; F367-F370 PolarHBondContact O-N 2.85Å; D368-F370 VanDerWaalsContact C-N 3.32Å; D368-F370 PolarHBondContact O-N 3.45Å; F370-S373 PolarHBondContact O-N 3.1Å; F370-S373 PolarHBondContact O-OG 3.02Å |
| 371 | M | 93.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.059 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 178.9 | -67.8 | -62.8 | -70.3 | 0 | 0 | 112.5 | P194 I196 L211 R214 A216 F367 D368 S373 I374 | P194-M371 HydrophobicContact CG-CE 3.42Å; P194-M371 VanDerWaalsContact CG-CE 3.42Å; P194-M371 HydrophobicContact CG-SD 4.18Å; I196-M371 HydrophobicContact CD1-SD 3.59Å; I196-M371 VanDerWaalsContact CD1-SD 3.59Å; L211-M371 HydrophobicContact CD2-SD 4.24Å; R214-M371 HydrophobicContact CB-CE 4.1Å; R214-M371 HydrophobicContact CB-CG 3.98Å; R214-M371 WeakPolarHBondContact O-CE 3.12Å; A216-M371 HydrophobicContact CB-CE 3.96Å; A216-M371 HydrophobicContact CB-SD 4.24Å; F367-M371 WeakPolarHBondContact O-CG 3.46Å; F367-M371 PolarHBondContact O-N 3.37Å; D368-M371 PolarHBondContact O-N 3.4Å; M371-S373 VanDerWaalsContact C-N 3.34Å; M371-S373 PolarHBondContact O-N 3.27Å; M371-I374 WeakPolarHBondContact O-CB 3.33Å; M371-I374 PolarHBondContact O-N 2.93Å; M371-I374 HydrophobicContact SD-CD1 4.36Å |
| 372 | E | 92.4 | Very high | 90.7 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -36.7 | 177.3 | -77.5 | 173.9 | -176.3 | 0 | 0 | 111.9 | D368 V369 I374 Q375 Q376 L384 R388 | D368-E372 WeakPolarHBondContact O-CB 3.15Å; D368-E372 WeakPolarHBondContact O-CG 3.47Å; D368-E372 PolarHBondContact O-N 2.85Å; V369-E372 PolarHBondContact O-N 3.33Å; E372-I374 PolarHBondContact O-N 3.08Å; E372-I374 VanDerWaalsContact O-N 3.11Å; E372-Q375 PolarHBondContact O-N 3.37Å; E372-Q376 PolarHBondContact O-N 2.84Å; E372-L384 HydrophobicContact CB-CD1 4.17Å; E372-L384 HydrophobicContact CB-CD2 4.4Å; E372-R388 IonicContact OE1-CZ 3.18Å; E372-R388 IonicContact OE1-NH1 2.75Å; E372-R388 IonicContact OE1-NH2 3.75Å; E372-R388 PolarHBondContact OE1-NH2 3.27Å; E372-R388 IonicContact OE2-CZ 2.98Å; E372-R388 IonicContact OE2-NH1 2.72Å; E372-R388 PolarHBondContact OE2-NH1 3.05Å; E372-R388 IonicContact OE2-NH2 2.8Å; E372-R388 PolarHBondContact OE2-NH2 3.01Å |
| 373 | S | 92.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -20.5 | 177.7 | 78.4 | 0 | 0 | 0 | 0 | 114.1 | P264 V369 F370 M371 | P264-S373 VanDerWaalsContact CB-OG 3.3Å; P264-S373 WeakPolarHBondContact CB-OG 3.32Å; P264-S373 WeakPolarHBondContact CG-OG 3.43Å; V369-S373 WeakPolarHBondContact O-CB 3.17Å; V369-S373 PolarHBondContact O-N 2.99Å; F370-S373 PolarHBondContact O-N 3.1Å; F370-S373 PolarHBondContact O-OG 3.02Å; M371-S373 VanDerWaalsContact C-N 3.34Å; M371-S373 PolarHBondContact O-N 3.27Å |
| 374 | I | 91 | Very high | 90.6 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 14% | 0.138 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -77.1 | -38.1 | 174.7 | -53.2 | 170.9 | 0 | 0 | 0 | 110.4 | P194 I196 D233 A234 P264 M371 E372 | P194-I374 HydrophobicContact CB-CD1 3.8Å; P194-I374 HydrophobicContact CB-CG2 3.87Å; P194-I374 HydrophobicContact CG-CD1 3.89Å; I196-I374 HydrophobicContact CD1-CD1 4.26Å; I196-I374 HydrophobicContact CG1-CD1 4.39Å; D233-I374 HydrophobicContact CB-CG2 4.32Å; A234-I374 HydrophobicContact CB-CD1 3.62Å; A234-I374 HydrophobicContact CB-CG1 3.87Å; P264-I374 HydrophobicContact CB-CG1 4.4Å; P264-I374 HydrophobicContact CG-CG1 3.95Å; M371-I374 WeakPolarHBondContact O-CB 3.33Å; M371-I374 PolarHBondContact O-N 2.93Å; M371-I374 HydrophobicContact SD-CD1 4.36Å; E372-I374 PolarHBondContact O-N 3.08Å; E372-I374 VanDerWaalsContact O-N 3.11Å |
| 375 | Q | 83.7 | Confident | 90.6 | Very high | 140 Ų | 140 | 44.6 Ų | 44.6 | 65% | 0.654 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -91.1 | -42.1 | -173.4 | -61.3 | -179.5 | 2.1 | 0 | 0 | 112.7 | E372 | E372-Q375 PolarHBondContact O-N 3.37Å |
| 376 | Q | 79.7 | Confident | 90.5 | Very high | 84 Ų | 84 | 45 Ų | 45 | 39% | 0.393 | 22% | 0.222 | S | C | . | . | trans | -106.2 | 78.3 | -172.6 | -62.3 | -173.7 | 5.4 | 0 | 0 | 110.8 | E372 D378 L379 | E372-Q376 PolarHBondContact O-N 2.84Å; Q376-D378 PolarHBondContact O-N 3.5Å; Q376-D378 VanDerWaalsContact O-N 3.13Å; Q376-L379 PolarHBondContact O-N 3.28Å | ||
| 377 | K | 73.9 | Confident | 90.1 | Very high | 170 Ų | 170 | 50.7 Ų | 50.7 | 74% | 0.739 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -7.9 | -179.9 | -63.3 | -172.4 | 178.7 | -173.4 | 0 | 114.4 | ||
| 378 | D | 81.6 | Confident | 89.8 | Confident | 158 Ų | 158 | 54.7 Ų | 54.7 | 85% | 0.845 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -20 | -178.3 | -60.3 | -32.3 | 0 | 0 | 0 | 113.4 | Q376 | Q376-D378 PolarHBondContact O-N 3.5Å; Q376-D378 VanDerWaalsContact O-N 3.13Å |
| 379 | L | 86.6 | Confident | 89.5 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -107 | 139.4 | 178.4 | -67.8 | 177.5 | 0 | 0 | 0 | 110.8 | Q376 Q383 L384 | Q376-L379 PolarHBondContact O-N 3.28Å; L379-Q383 HydrophobicContact CD2-CB 4.47Å; L379-L384 HydrophobicContact CB-CD2 3.97Å; L379-L384 HydrophobicContact CB-CG 4.11Å; L379-L384 HydrophobicContact CD1-CD2 3.72Å |
| 380 | T | 91.1 | Very high | 88.8 | Confident | 40 Ų | 40 | 60 Ų | 60 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | trans | -81.7 | 156 | 174.4 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | Q383 L384 | T380-Q383 WeakPolarHBondContact O-CB 3.48Å; T380-Q383 PolarHBondContact O-N 2.95Å; T380-Q383 WeakPolarHBondContact OG1-CG 3.27Å; T380-Q383 PolarHBondContact OG1-OE1 2.88Å; T380-L384 PolarHBondContact O-N 3.4Å; T380-L384 VanDerWaalsContact O-N 3.08Å | ||
| 381 | I | 93 | Very high | 87.2 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.6 | -46 | 176.9 | -61.4 | -68.9 | 0 | 0 | 0 | 112.2 | V341 F348 V369 Q383 L384 I385 | V341-I381 HydrophobicContact CG2-CB 4.02Å; V341-I381 HydrophobicContact CG2-CG2 3.85Å; F348-I381 HydrophobicContact CB-CG2 3.94Å; F348-I381 HydrophobicContact CD1-CD1 3.95Å; F348-I381 HydrophobicContact CD1-CG1 4.11Å; F348-I381 HydrophobicContact CD1-CG2 3.8Å; F348-I381 HydrophobicContact CD2-CG2 4.27Å; F348-I381 HydrophobicContact CE1-CD1 3.99Å; F348-I381 HydrophobicContact CE1-CG2 4.34Å; F348-I381 HydrophobicContact CG-CG2 3.76Å; V369-I381 HydrophobicContact CG1-CD1 3.97Å; V369-I381 HydrophobicContact CG1-CG2 3.95Å; I381-Q383 VanDerWaalsContact C-N 3.28Å; I381-Q383 PolarHBondContact O-N 2.78Å; I381-L384 HydrophobicContact CD1-CD1 4.48Å; I381-L384 PolarHBondContact O-N 3.11Å; I381-L384 VanDerWaalsContact O-N 3.17Å; I381-I385 HydrophobicContact CG2-CD1 3.77Å; I381-I385 HydrophobicContact CG2-CG1 4.33Å; I381-I385 WeakPolarHBondContact O-CG1 3.48Å; I381-I385 PolarHBondContact O-N 3.34Å |
| 382 | P | 92.9 | Very high | 85.5 | Confident | 23 Ų | 23 | 69.8 Ų | 69.8 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.2 | -42.5 | 174.3 | -28 | 35.7 | 0 | 0 | 0 | 113.3 | V341 L384 I385 E386 | V341-P382 HydrophobicContact CG1-CG 4.29Å; V341-P382 HydrophobicContact CG2-CG 3.79Å; P382-L384 PolarHBondContact O-N 3.44Å; P382-I385 PolarHBondContact O-N 3.13Å; P382-E386 WeakPolarHBondContact O-CB 3.21Å; P382-E386 VanDerWaalsContact O-CG 3.27Å; P382-E386 WeakPolarHBondContact O-CG 3.32Å; P382-E386 PolarHBondContact O-N 3.38Å |
| 383 | Q | 91.8 | Very high | 83.6 | Confident | 87 Ų | 87 | 72.2 Ų | 72.2 | 41% | 0.407 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 178.6 | -68.8 | 170.4 | -26.9 | 0 | 0 | 112 | L379 T380 I381 I385 E386 Q387 | L379-Q383 HydrophobicContact CD2-CB 4.47Å; T380-Q383 WeakPolarHBondContact O-CB 3.48Å; T380-Q383 PolarHBondContact O-N 2.95Å; T380-Q383 WeakPolarHBondContact OG1-CG 3.27Å; T380-Q383 PolarHBondContact OG1-OE1 2.88Å; I381-Q383 VanDerWaalsContact C-N 3.28Å; I381-Q383 PolarHBondContact O-N 2.78Å; Q383-I385 PolarHBondContact O-N 3.31Å; Q383-E386 PolarHBondContact O-N 3.46Å; Q383-Q387 WeakPolarHBondContact O-CB 3.35Å; Q383-Q387 VanDerWaalsContact O-CG 3.25Å; Q383-Q387 WeakPolarHBondContact O-CG 2.99Å; Q383-Q387 PolarHBondContact O-N 2.75Å |
| 384 | L | 92.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 178.7 | -68 | 173.3 | 0 | 0 | 0 | 112.8 | V369 E372 L379 T380 I381 P382 R388 | V369-L384 HydrophobicContact CG1-CB 3.93Å; V369-L384 HydrophobicContact CG1-CD1 4.3Å; V369-L384 HydrophobicContact CG2-CB 4.2Å; E372-L384 HydrophobicContact CB-CD1 4.17Å; E372-L384 HydrophobicContact CB-CD2 4.4Å; L379-L384 HydrophobicContact CB-CD2 3.97Å; L379-L384 HydrophobicContact CB-CG 4.11Å; L379-L384 HydrophobicContact CD1-CD2 3.72Å; T380-L384 PolarHBondContact O-N 3.4Å; T380-L384 VanDerWaalsContact O-N 3.08Å; I381-L384 HydrophobicContact CD1-CD1 4.48Å; I381-L384 PolarHBondContact O-N 3.11Å; I381-L384 VanDerWaalsContact O-N 3.17Å; P382-L384 PolarHBondContact O-N 3.44Å; L384-R388 PolarHBondContact O-NH1 2.86Å |
| 385 | I | 93.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -72.4 | -47.9 | 176 | -65.5 | 173.2 | 0 | 0 | 0 | 110.4 | L328 F365 L366 V369 I381 P382 Q383 Q387 R388 L389 | L328-I385 HydrophobicContact CD1-CD1 3.78Å; L328-I385 HydrophobicContact CD2-CD1 3.88Å; L328-I385 HydrophobicContact CG-CD1 4.42Å; F365-I385 HydrophobicContact CE2-CG2 4.29Å; L366-I385 HydrophobicContact CD2-CD1 3.93Å; L366-I385 HydrophobicContact CD2-CG1 4.07Å; V369-I385 HydrophobicContact CB-CG1 4.49Å; V369-I385 HydrophobicContact CG1-CD1 4.49Å; V369-I385 HydrophobicContact CG1-CG1 3.92Å; V369-I385 HydrophobicContact CG2-CG1 3.97Å; I381-I385 HydrophobicContact CG2-CD1 3.77Å; I381-I385 HydrophobicContact CG2-CG1 4.33Å; I381-I385 WeakPolarHBondContact O-CG1 3.48Å; I381-I385 PolarHBondContact O-N 3.34Å; P382-I385 PolarHBondContact O-N 3.13Å; Q383-I385 PolarHBondContact O-N 3.31Å; I385-Q387 VanDerWaalsContact C-N 3.3Å; I385-Q387 PolarHBondContact O-N 3.26Å; I385-R388 PolarHBondContact O-N 3.2Å; I385-L389 HydrophobicContact CG2-CD1 3.72Å; I385-L389 HydrophobicContact CG2-CG 4.27Å; I385-L389 PolarHBondContact O-N 3.34Å; I385-L389 VanDerWaalsContact O-N 3.09Å |
| 386 | E | 91.3 | Very high | 77.6 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 19% | 0.187 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.4 | -36.7 | -178.9 | -76.4 | -178.2 | -145.4 | 0 | 0 | 112.7 | A301 T302 P382 Q383 R388 L389 R390 | A301-E386 HydrophobicContact CB-CG 4.35Å; T302-E386 HydrophobicContact CG2-CB 4.48Å; T302-E386 HydrophobicContact CG2-CG 4.04Å; P382-E386 WeakPolarHBondContact O-CB 3.21Å; P382-E386 VanDerWaalsContact O-CG 3.27Å; P382-E386 WeakPolarHBondContact O-CG 3.32Å; P382-E386 PolarHBondContact O-N 3.38Å; Q383-E386 PolarHBondContact O-N 3.46Å; E386-R388 PolarHBondContact O-N 2.98Å; E386-L389 PolarHBondContact O-N 3.37Å; E386-R390 VanDerWaalsContact O-CB 3.29Å; E386-R390 WeakPolarHBondContact O-CB 3.44Å; E386-R390 VanDerWaalsContact O-CG 3.26Å; E386-R390 WeakPolarHBondContact O-CG 3.44Å; E386-R390 PolarHBondContact O-N 2.73Å; E386-R390 IonicContact OE2-CZ 2.56Å; E386-R390 IonicContact OE2-NE 2.89Å; E386-R390 PolarHBondContact OE2-NE 2.81Å; E386-R390 IonicContact OE2-NH2 3.75Å; E386-R390 PolarHBondContact OE2-NH2 3.33Å |
| 387 | Q | 89 | Confident | 76 | Confident | 121 Ų | 121 | 81.4 Ų | 81.4 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -58.3 | -29.5 | 175.3 | -79.3 | 175.4 | 8.5 | 0 | 0 | 113.2 | Q383 I385 | Q383-Q387 WeakPolarHBondContact O-CB 3.35Å; Q383-Q387 VanDerWaalsContact O-CG 3.25Å; Q383-Q387 WeakPolarHBondContact O-CG 2.99Å; Q383-Q387 PolarHBondContact O-N 2.75Å; I385-Q387 VanDerWaalsContact C-N 3.3Å; I385-Q387 PolarHBondContact O-N 3.26Å |
| 388 | R | 89.3 | Confident | 74.8 | Confident | 83 Ų | 83 | 76.5 Ų | 76.5 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -90.5 | -32.3 | 179.9 | -69.3 | 172.9 | 165.8 | 76.6 | 2.2 | 113.2 | F365 E372 L384 I385 E386 | F365-R388 HydrophobicContact CD2-CB 4.28Å; F365-R388 VanDerWaalsContact CD2-CD 3.41Å; F365-R388 HydrophobicContact CD2-CG 4.5Å; F365-R388 HydrophobicContact CE2-CB 4.42Å; E372-R388 IonicContact OE1-CZ 3.18Å; E372-R388 IonicContact OE1-NH1 2.75Å; E372-R388 IonicContact OE1-NH2 3.75Å; E372-R388 PolarHBondContact OE1-NH2 3.27Å; E372-R388 IonicContact OE2-CZ 2.98Å; E372-R388 IonicContact OE2-NH1 2.72Å; E372-R388 PolarHBondContact OE2-NH1 3.05Å; E372-R388 IonicContact OE2-NH2 2.8Å; E372-R388 PolarHBondContact OE2-NH2 3.01Å; L384-R388 PolarHBondContact O-NH1 2.86Å; I385-R388 PolarHBondContact O-N 3.2Å; E386-R388 PolarHBondContact O-N 2.98Å |
| 389 | L | 88.4 | Confident | 73.5 | Confident | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -90.8 | -26.7 | -176.4 | -65.5 | -175.9 | 0 | 0 | 0 | 113.8 | H299 T302 R304 L306 F365 I385 E386 | H299-L389 HydrophobicContact CB-CD1 3.75Å; T302-L389 HydrophobicContact CG2-CB 4.1Å; R304-L389 HydrophobicContact CG-CB 4.35Å; R304-L389 WeakPolarHBondContact CG-O 3.34Å; R304-L389 PolarHBondContact NH1-O 2.69Å; L306-L389 HydrophobicContact CD1-CD1 4.26Å; L306-L389 HydrophobicContact CD1-CD2 3.88Å; L306-L389 HydrophobicContact CD2-CD2 4.18Å; F365-L389 HydrophobicContact CE1-CD2 3.99Å; F365-L389 HydrophobicContact CZ-CD1 4.18Å; F365-L389 HydrophobicContact CZ-CD2 3.75Å; F365-L389 HydrophobicContact CZ-CG 4Å; I385-L389 HydrophobicContact CG2-CD1 3.72Å; I385-L389 HydrophobicContact CG2-CG 4.27Å; I385-L389 PolarHBondContact O-N 3.34Å; I385-L389 VanDerWaalsContact O-N 3.09Å; E386-L389 PolarHBondContact O-N 3.37Å |
| 390 | R | 80.4 | Confident | 72.2 | Confident | 156 Ų | 156 | 72.3 Ų | 72.3 | 59% | 0.589 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -65.3 | 128.5 | 173.4 | -74.2 | -178.5 | -174.4 | -151.3 | 3.9 | 109.2 | T302 E386 T392 | T302-R390 HydrophobicContact CG2-CG 3.99Å; E386-R390 VanDerWaalsContact O-CB 3.29Å; E386-R390 WeakPolarHBondContact O-CB 3.44Å; E386-R390 VanDerWaalsContact O-CG 3.26Å; E386-R390 WeakPolarHBondContact O-CG 3.44Å; E386-R390 PolarHBondContact O-N 2.73Å; E386-R390 IonicContact OE2-CZ 2.56Å; E386-R390 IonicContact OE2-NE 2.89Å; E386-R390 PolarHBondContact OE2-NE 2.81Å; E386-R390 IonicContact OE2-NH2 3.75Å; E386-R390 PolarHBondContact OE2-NH2 3.33Å; R390-T392 PolarHBondContact O-N 2.65Å |
| 391 | P | 63.1 | Low | 71 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | trans | -60.8 | 137.4 | 178.3 | 23 | -30.2 | 0 | 0 | 0 | 110.6 | T393 | P391-T393 PolarHBondContact O-N 3.47Š| ||
| 392 | T | 57.1 | Low | 70.4 | Confident | 152 Ų | 152 | 80.4 Ų | 80.4 | 93% | 0.933 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -66.7 | -22.4 | 174.7 | 4.5 | 0 | 0 | 0 | 0 | 112.4 | R390 | R390-T392 PolarHBondContact O-N 2.65Š|
| 393 | T | 53.7 | Low | 70.2 | Confident | 100 Ų | 100 | 79.9 Ų | 79.9 | 61% | 0.613 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -73.6 | 133.4 | 175.4 | -26.7 | 0 | 0 | 0 | 0 | 109.6 | P391 A395 | P391-T393 PolarHBondContact O-N 3.47Å; T393-A395 PolarHBondContact O-N 2.79Å |
| 394 | P | 44.6 | Very low | 69.8 | Low | 107 Ų | 107 | 84.3 Ų | 84.3 | 70% | 0.695 | 47% | 0.466 | S | S | * | . | trans | -53.1 | 137.3 | 174.9 | -19.7 | 29.2 | 0 | 0 | 0 | 109.2 | I396 | P394-I396 PolarHBondContact O-N 3.33Š| ||
| 395 | A | 44.5 | Very low | 69.8 | Low | 82 Ų | 82 | 84.6 Ų | 84.6 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | trans | -42.9 | 130.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | T393 D397 | T393-A395 PolarHBondContact O-N 2.79Å; A395-D397 VanDerWaalsContact C-N 3.29Å; A395-D397 PolarHBondContact O-N 3.35Å | ||
| 396 | I | 51.7 | Low | 69.9 | Low | 94 Ų | 94 | 84.6 Ų | 84.6 | 48% | 0.482 | 47% | 0.467 | S | S | . | . | trans | -55.4 | 103.3 | 171.4 | -56.3 | 172.1 | 0 | 0 | 0 | 104.6 | P394 S398 | P394-I396 PolarHBondContact O-N 3.33Å; I396-S398 VanDerWaalsContact CG2-O 3.32Å; I396-S398 WeakPolarHBondContact CG2-O 3.44Å; I396-S398 CarbonylContact O-C 3.54Å; I396-S398 PolarHBondContact O-N 3.39Å | ||
| 397 | D | 45.3 | Very low | 70.2 | Confident | 168 Ų | 168 | 82.7 Ų | 82.7 | 90% | 0.898 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -58.4 | -12.5 | -164.2 | -96.9 | -28.1 | 0 | 0 | 0 | 113.6 | A395 | A395-D397 VanDerWaalsContact C-N 3.29Å; A395-D397 PolarHBondContact O-N 3.35Å |
| 398 | S | 49.5 | Very low | 70.5 | Confident | 68 Ų | 68 | 76.9 Ų | 76.9 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -123.7 | 130.3 | 169.4 | 60.5 | 0 | 0 | 0 | 0 | 109 | I396 | I396-S398 VanDerWaalsContact CG2-O 3.32Å; I396-S398 WeakPolarHBondContact CG2-O 3.44Å; I396-S398 CarbonylContact O-C 3.54Å; I396-S398 PolarHBondContact O-N 3.39Å |
| 399 | A | 53.2 | Low | 70.8 | Confident | 84 Ų | 84 | 73 Ų | 73 | 69% | 0.694 | 42% | 0.416 | S | S | * | . | trans | -42 | 131.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109 | V401 | A399-V401 PolarHBondContact O-N 3.38Š| ||
| 400 | P | 59.3 | Low | 71 | Confident | 40 Ų | 40 | 72.6 Ų | 72.6 | 26% | 0.26 | 41% | 0.414 | S | S | . | . | trans | -54.1 | 115.4 | -177 | 18.5 | -28.7 | 0 | 0 | 0 | 108.8 | M402 | P400-M402 PolarHBondContact O-N 3.32Š| ||
| 401 | V | 67.5 | Low | 71.3 | Confident | 119 Ų | 119 | 65.3 Ų | 65.3 | 72% | 0.721 | 39% | 0.387 | S | S | * | . | trans | -61.7 | 111.9 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 106.8 | A399 | A399-V401 PolarHBondContact O-N 3.38Š| ||
| 402 | M | 80.7 | Confident | 72.6 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | trans | -56.7 | 125.2 | 179.3 | -78.7 | -73.4 | -80.3 | 0 | 0 | 109.5 | P400 R404 I438 L721 | P400-M402 PolarHBondContact O-N 3.32Å; M402-R404 PolarHBondContact O-N 3.22Å; M402-I438 HydrophobicContact CE-CD1 3.92Å; M402-I438 HydrophobicContact CE-CG1 4.44Å; M402-L721 HydrophobicContact CE-CD1 4.35Å; M402-L721 HydrophobicContact SD-CB 4.21Å | ||
| 403 | P | 87.7 | Confident | 74.2 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | trans | -68.7 | 136.2 | -180 | 29.6 | -34.2 | 0 | 0 | 0 | 109.1 | V406 I438 N480 L512 L721 | P403-V406 HydrophobicContact CB-CG2 3.74Å; P403-V406 HydrophobicContact CG-CG2 3.54Å; P403-I438 HydrophobicContact CG-CD1 4.13Å; P403-I438 HydrophobicContact CG-CG2 4.49Å; P403-I438 WeakPolarHBondContact O-CG1 3.22Å; P403-N480 HydrophobicContact CB-CB 4.4Å; P403-L512 HydrophobicContact CG-CD1 3.93Å; P403-L721 HydrophobicContact CG-CD2 3.94Å | ||
| 404 | R | 84.3 | Confident | 75.9 | Confident | 179 Ų | 179 | 51.1 Ų | 51.1 | 68% | 0.675 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -75.1 | -35.7 | 174.3 | -63.4 | 179.7 | -179.4 | -161.8 | -5.2 | 111.4 | M402 Q439 E1779 | M402-R404 PolarHBondContact O-N 3.22Å; R404-Q439 PolarHBondContact O-N 3.1Å; R404-E1779 IonicContact NH1-OE1 3.55Å; R404-E1779 IonicContact NH2-OE1 2.77Å |
| 405 | K | 91 | Very high | 78.1 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 132.1 | -178.5 | -175.1 | -173.8 | -68.3 | -174.7 | 0 | 111 | Q439 V441 E477 P479 N480 G481 D1811 | K405-Q439 CarbonylContact C-O 3.5Å; K405-Q439 VanDerWaalsContact CA-O 3.25Å; K405-Q439 WeakPolarHBondContact CA-O 3.5Å; K405-Q439 HydrophobicContact CB-CB 4.26Å; K405-Q439 HydrophobicContact CG-CB 4.22Å; K405-Q439 HydrophobicContact CG-CG 4.41Å; K405-V441 HydrophobicContact CD-CG2 3.79Å; K405-V441 HydrophobicContact CG-CG2 4Å; K405-E477 HydrophobicContact CD-CB 4.45Å; K405-E477 VanDerWaalsContact CD-O 3.29Å; K405-E477 WeakPolarHBondContact CD-O 3.21Å; K405-E477 PolarHBondContact NZ-O 2.83Å; K405-E477 IonicContact NZ-OE2 2.74Å; K405-E477 PolarHBondContact NZ-OE2 3.48Å; K405-P479 HydrophobicContact CD-CB 4.44Å; K405-P479 HydrophobicContact CG-CB 4.36Å; K405-N480 PolarHBondContact O-N 3.35Å; K405-G481 PolarHBondContact O-N 3.23Å; K405-D1811 IonicContact NZ-OD2 2.62Å; K405-D1811 PolarHBondContact NZ-OD2 3.15Å |
| 406 | V | 96 | Very high | 80 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.1 | -179.2 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | P403 I408 M433 I438 Q439 V441 G481 L483 L512 | P403-V406 HydrophobicContact CB-CG2 3.74Å; P403-V406 HydrophobicContact CG-CG2 3.54Å; V406-I408 HydrophobicContact CG1-CG1 4.25Å; V406-M433 HydrophobicContact CB-SD 4.42Å; V406-M433 HydrophobicContact CG1-SD 4.43Å; V406-M433 HydrophobicContact CG2-SD 4.17Å; V406-I438 HydrophobicContact CB-CG2 4.11Å; V406-I438 HydrophobicContact CG2-CG2 3.6Å; V406-Q439 PolarHBondContact N-O 3.38Å; V406-V441 PolarHBondContact O-N 2.9Å; V406-G481 CarbonylContact C-O 3.57Å; V406-G481 WeakPolarHBondContact CA-O 3.49Å; V406-L483 HydrophobicContact CG1-CD1 3.8Å; V406-L483 HydrophobicContact CG1-CG 3.81Å; V406-L512 HydrophobicContact CG1-CD1 4.11Å; V406-L512 HydrophobicContact CG2-CD1 3.63Å |
| 407 | L | 97.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.2 | 169.7 | 175.9 | 64.3 | 0 | 0 | 0 | 110.1 | L409 V441 I443 V470 V473 I474 P479 G481 V482 L483 | L407-L409 HydrophobicContact CD1-CD2 4.28Å; L407-L409 HydrophobicContact CD2-CD2 4.14Å; L407-L409 HydrophobicContact CG-CD2 4.11Å; L407-V441 CarbonylContact C-O 3.55Å; L407-V441 WeakPolarHBondContact CA-O 3.31Å; L407-V441 HydrophobicContact CD1-CB 4.31Å; L407-V441 HydrophobicContact CD1-CG1 4.04Å; L407-I443 HydrophobicContact CD1-CD1 3.79Å; L407-I443 HydrophobicContact CD1-CG1 3.88Å; L407-V470 HydrophobicContact CD2-CG1 4.05Å; L407-V473 HydrophobicContact CD1-CG1 4.34Å; L407-I474 HydrophobicContact CD2-CD1 4.02Å; L407-I474 HydrophobicContact CD2-CG1 3.67Å; L407-P479 HydrophobicContact CB-CB 3.93Å; L407-P479 HydrophobicContact CB-CG 3.9Å; L407-P479 HydrophobicContact CD2-CG 4.45Å; L407-G481 PolarHBondContact N-O 3.42Å; L407-V482 HydrophobicContact CB-CB 4.32Å; L407-V482 HydrophobicContact CB-CG2 4.14Å; L407-V482 HydrophobicContact CD2-CG2 4.1Å; L407-V482 HydrophobicContact CG-CG2 4.12Å; L407-V482 CarbonylContact O-C 3.48Å; L407-V482 VanDerWaalsContact O-CA 3.26Å; L407-V482 WeakPolarHBondContact O-CA 3.46Å; L407-L483 PolarHBondContact O-N 3.48Å |
| 408 | I | 96.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.5 | 174.1 | -57.9 | 175.9 | 0 | 0 | 0 | 107.2 | V406 A429 I430 V441 L442 I443 L483 | V406-I408 HydrophobicContact CG1-CG1 4.25Å; I408-A429 HydrophobicContact CD1-CB 4.35Å; I408-I430 HydrophobicContact CD1-CG1 3.6Å; I408-V441 PolarHBondContact N-O 3.39Å; I408-L442 HydrophobicContact CB-CD1 4.21Å; I408-L442 HydrophobicContact CG2-CD1 4.04Å; I408-L442 WeakPolarHBondContact O-CA 3.16Å; I408-I443 PolarHBondContact O-N 3.06Å; I408-L483 HydrophobicContact CD1-CD1 4.27Å; I408-L483 HydrophobicContact CG1-CB 4.4Å; I408-L483 HydrophobicContact CG1-CD1 4.1Å |
| 409 | L | 95 | Very high | 83.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.1 | 172.1 | -57.9 | -173.4 | 0 | 0 | 0 | 108.3 | L407 I443 L465 V470 L484 G487 A491 C494 | L407-L409 HydrophobicContact CD1-CD2 4.28Å; L407-L409 HydrophobicContact CD2-CD2 4.14Å; L407-L409 HydrophobicContact CG-CD2 4.11Å; L409-I443 HydrophobicContact CD2-CB 4.34Å; L409-I443 HydrophobicContact CD2-CD1 3.94Å; L409-I443 HydrophobicContact CD2-CG1 4.46Å; L409-L465 HydrophobicContact CB-CD2 4.16Å; L409-L465 HydrophobicContact CD2-CD2 4.19Å; L409-V470 HydrophobicContact CD2-CG1 3.9Å; L409-V470 HydrophobicContact CD2-CG2 3.96Å; L409-L484 HydrophobicContact CD1-CD2 3.73Å; L409-L484 HydrophobicContact CG-CD2 4.37Å; L409-G487 VanDerWaalsContact O-CA 3.31Å; L409-G487 WeakPolarHBondContact O-CA 3.47Å; L409-A491 HydrophobicContact CB-CB 3.66Å; L409-C494 HydrophobicContact CD1-CB 4.38Å |
| 410 | G | 92.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -76.8 | -170.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | I443 L465 | G410-I443 PolarHBondContact N-O 3.08Å; G410-L465 WeakPolarHBondContact O-CD1 3.19Å | ||
| 411 | S | 87.9 | Confident | 86.7 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | trans | -84.9 | -28.3 | -179.9 | 44.9 | 0 | 0 | 0 | 0 | 114.3 | Q418 D423 G487 T490 | S411-Q418 VanDerWaalsContact CA-NE2 3.31Å; S411-Q418 PolarHBondContact O-NE2 3.46Å; S411-D423 PolarHBondContact OG-OD1 3.12Å; S411-G487 WeakPolarHBondContact CA-O 3.27Å; S411-T490 WeakPolarHBondContact O-CB 3.35Å | ||
| 412 | G | 90.5 | Very high | 87.8 | Confident | 5 Ų | 5 | 17.6 Ų | 17.6 | 5% | 0.052 | 9% | 0.086 | C | C | . | . | trans | 79.5 | -166.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N444 N446 | G412-N444 WeakPolarHBondContact CA-OD1 3.22Å; G412-N444 PolarHBondContact N-OD1 3.13Å; G412-N446 WeakPolarHBondContact O-CB 3.35Å | ||
| 413 | G | 89.7 | Confident | 88.1 | Confident | 6 Ų | 6 | 13.3 Ų | 13.3 | 6% | 0.062 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -63.5 | 142.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S415 V1302 | G413-S415 PolarHBondContact O-N 3.24Å; G413-V1302 VanDerWaalsContact CA-CG1 3.45Å |
| 414 | L | 89.9 | Confident | 88.2 | Confident | 7 Ų | 7 | 12.9 Ų | 12.9 | 4% | 0.037 | 6% | 0.062 | C | C | . | . | trans | -64.8 | 127.8 | -179.7 | -79.9 | 72 | 0 | 0 | 0 | 111.6 | N446 S962 V963 Q1279 T1299 G1300 | L414-N446 WeakPolarHBondContact CD1-ND2 3.44Å; L414-S962 VanDerWaalsContact CD2-OG 3.26Å; L414-S962 WeakPolarHBondContact CD2-OG 3.39Å; L414-V963 HydrophobicContact CD1-CG1 4.23Å; L414-V963 HydrophobicContact CD1-CG2 3.88Å; L414-V963 HydrophobicContact CD2-CB 4.5Å; L414-V963 HydrophobicContact CD2-CG1 3.65Å; L414-V963 HydrophobicContact CD2-CG2 4.08Å; L414-Q1279 WeakPolarHBondContact O-CG 3.48Å; L414-T1299 CarbonylContact O-C 3.45Å; L414-T1299 PolarHBondContact O-OG1 2.96Å; L414-G1300 PolarHBondContact O-N 3.14Å | ||
| 415 | S | 89.3 | Confident | 88.6 | Confident | 24 Ų | 24 | 4.4 Ų | 4.4 | 17% | 0.168 | 3% | 0.03 | C | C | . | . | B | Isolated β-bridge | trans | -138.5 | 160.8 | 177 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | G413 G417 Q418 S1281 | G413-S415 PolarHBondContact O-N 3.24Å; S415-G417 PolarHBondContact O-N 3.09Å; S415-Q418 PolarHBondContact N-O 3.06Å; S415-Q418 CarbonylContact O-C 3.57Å; S415-Q418 WeakPolarHBondContact O-CA 3.26Å; S415-Q418 PolarHBondContact O-N 3.16Å; S415-S1281 WeakPolarHBondContact CA-OG 3.49Å |
| 416 | I | 85.7 | Confident | 88.7 | Confident | 4 Ų | 4 | 4.1 Ų | 4.1 | 2% | 0.021 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 123.1 | 176.1 | -67.9 | 169.6 | 0 | 0 | 0 | 109.2 | M770 V773 S1281 R1284 L1285 T1299 | I416-M770 HydrophobicContact CG2-CB 4.29Å; I416-M770 VanDerWaalsContact CG2-O 3.3Å; I416-M770 WeakPolarHBondContact CG2-O 3.36Å; I416-V773 HydrophobicContact CD1-CG1 4.08Å; I416-V773 HydrophobicContact CG1-CG1 4Å; I416-S1281 PolarHBondContact N-OG 2.86Å; I416-R1284 HydrophobicContact CB-CB 4.17Å; I416-R1284 HydrophobicContact CB-CG 3.95Å; I416-R1284 HydrophobicContact CD1-CB 4.23Å; I416-R1284 HydrophobicContact CG2-CB 4.09Å; I416-R1284 HydrophobicContact CG2-CG 3.99Å; I416-R1284 PolarHBondContact O-NE 3.29Å; I416-L1285 HydrophobicContact CD1-CD1 4.29Å; I416-L1285 HydrophobicContact CD1-CD2 3.96Å; I416-L1285 HydrophobicContact CD1-CG 4.06Å; I416-T1299 HydrophobicContact CG1-CG2 4.31Å |
| 417 | G | 77.9 | Confident | 88.5 | Confident | 9 Ų | 9 | 4.2 Ų | 4.2 | 9% | 0.093 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -8.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S415 L570 | S415-G417 PolarHBondContact O-N 3.09Å; G417-L570 WeakPolarHBondContact O-CD1 3.26Å |
| 418 | Q | 78.3 | Confident | 88.3 | Confident | 9 Ų | 9 | 4.4 Ų | 4.4 | 4% | 0.042 | 3% | 0.03 | C | C | . | . | B | Isolated β-bridge | trans | -142.6 | 86 | 175.4 | -172.2 | 175.5 | 9.8 | 0 | 0 | 109.4 | S411 S415 F422 G487 T490 L570 | S411-Q418 VanDerWaalsContact CA-NE2 3.31Å; S411-Q418 PolarHBondContact O-NE2 3.46Å; S415-Q418 PolarHBondContact N-O 3.06Å; S415-Q418 CarbonylContact O-C 3.57Å; S415-Q418 WeakPolarHBondContact O-CA 3.26Å; S415-Q418 PolarHBondContact O-N 3.16Å; Q418-F422 HydrophobicContact CG-CD2 3.77Å; Q418-F422 HydrophobicContact CG-CE2 3.97Å; Q418-G487 PolarHBondContact NE2-O 3.17Å; Q418-T490 PolarHBondContact NE2-OG1 2.94Å; Q418-T490 PolarHBondContact OE1-OG1 2.91Å; Q418-L570 HydrophobicContact CB-CD1 4.46Å; Q418-L570 HydrophobicContact CB-CD2 3.85Å |
| 419 | A | 72.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 4.4 Ų | 4.4 | 3% | 0.033 | 3% | 0.03 | C | C | . | . | trans | -102.7 | -155.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E421 E991 | A419-E421 VanDerWaalsContact C-N 3.28Å; A419-E421 WeakPolarHBondContact CA-OE2 3.29Å; A419-E421 WeakPolarHBondContact CB-OE2 3.25Å; A419-E421 PolarHBondContact N-OE2 3.37Å; A419-E421 VanDerWaalsContact N-OE2 3.15Å; A419-E421 PolarHBondContact O-N 2.68Å; A419-E991 WeakPolarHBondContact CB-OE1 3.48Å | ||
| 420 | G | 83.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -6.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F422 D423 Y424 E991 | G420-F422 PolarHBondContact O-N 3.49Å; G420-D423 WeakPolarHBondContact O-CB 3.39Å; G420-D423 PolarHBondContact O-N 3.38Å; G420-Y424 PolarHBondContact O-N 3.38Å; G420-E991 CarbonylContact C-O 3.16Å |
| 421 | E | 87 | Confident | 88.1 | Confident | 7 Ų | 7 | 6.4 Ų | 6.4 | 3% | 0.033 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -58 | -31.8 | 177.6 | 70.8 | -82.8 | -159.7 | 0 | 0 | 112.7 | A419 S425 R699 A702 | A419-E421 VanDerWaalsContact C-N 3.28Å; A419-E421 WeakPolarHBondContact CA-OE2 3.29Å; A419-E421 WeakPolarHBondContact CB-OE2 3.25Å; A419-E421 PolarHBondContact N-OE2 3.37Å; A419-E421 VanDerWaalsContact N-OE2 3.15Å; A419-E421 PolarHBondContact O-N 2.68Å; E421-S425 WeakPolarHBondContact O-CB 3.39Å; E421-S425 PolarHBondContact O-N 3.34Å; E421-S425 PolarHBondContact O-OG 3.1Å; E421-R699 HydrophobicContact CG-CB 4.39Å; E421-A702 HydrophobicContact CB-CB 3.87Å |
| 422 | F | 90.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 6.3 Ų | 6.3 | 0% | 0.004 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -78.6 | -29.7 | 177.8 | -61.3 | -58.6 | 0 | 0 | 0 | 113.1 | Q418 G420 S425 G426 G488 L697 | Q418-F422 HydrophobicContact CG-CD2 3.77Å; Q418-F422 HydrophobicContact CG-CE2 3.97Å; G420-F422 PolarHBondContact O-N 3.49Å; F422-S425 WeakPolarHBondContact CA-OG 3.28Å; F422-S425 PolarHBondContact O-OG 3.18Å; F422-G426 PolarHBondContact O-N 3.16Å; F422-G488 VanDerWaalsContact CD1-CA 3.44Å; F422-G488 VanDerWaalsContact CZ-CA 3.48Å; F422-L697 VanDerWaalsContact CE1-O 3.25Å; F422-L697 WeakPolarHBondContact CE1-O 3.47Å |
| 423 | D | 88.2 | Confident | 88.5 | Confident | 3 Ų | 3 | 6 Ų | 6 | 2% | 0.016 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -70.1 | -41.2 | 173 | -74.8 | -29.2 | 0 | 0 | 0 | 110.8 | S411 G420 S427 N444 N446 T449 | S411-D423 PolarHBondContact OG-OD1 3.12Å; G420-D423 WeakPolarHBondContact O-CB 3.39Å; G420-D423 PolarHBondContact O-N 3.38Å; D423-S427 WeakPolarHBondContact O-CB 3.37Å; D423-S427 PolarHBondContact O-N 2.97Å; D423-S427 VanDerWaalsContact O-N 3.11Å; D423-S427 PolarHBondContact O-OG 3.37Å; D423-N444 PolarHBondContact OD1-ND2 3.25Å; D423-N446 PolarHBondContact OD1-ND2 3.31Å; D423-N446 PolarHBondContact OD2-ND2 2.88Å; D423-T449 VanDerWaalsContact CB-OG1 3.23Å; D423-T449 WeakPolarHBondContact CB-OG1 3.4Å; D423-T449 VanDerWaalsContact CG-CB 3.46Å; D423-T449 VanDerWaalsContact CG-OG1 3.29Å; D423-T449 WeakPolarHBondContact OD2-CB 3.37Å |
| 424 | Y | 89.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 11.4 Ų | 11.4 | 1% | 0.012 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.9 | -57.7 | 171.1 | 157.5 | -106.3 | 0 | 0 | 0 | 111.7 | G420 G426 S427 Q428 A702 S705 A713 D996 | G420-Y424 PolarHBondContact O-N 3.38Å; Y424-G426 VanDerWaalsContact C-N 3.32Å; Y424-G426 PolarHBondContact O-N 2.83Å; Y424-S427 WeakPolarHBondContact O-CA 3.4Å; Y424-S427 WeakPolarHBondContact O-CB 3.39Å; Y424-S427 PolarHBondContact O-N 3.17Å; Y424-Q428 HydrophobicContact CD2-CG 4.18Å; Y424-Q428 HydrophobicContact CE2-CG 3.56Å; Y424-Q428 PolarHBondContact O-N 3.39Å; Y424-A702 HydrophobicContact CD1-CB 4.3Å; Y424-S705 PolarHBondContact OH-OG 3.36Å; Y424-A713 HydrophobicContact CE1-CB 4.3Å; Y424-D996 HydrophobicContact CE2-CB 4.42Å |
| 425 | S | 92.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | -175.2 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | E421 F422 S427 Q428 A429 F486 | E421-S425 WeakPolarHBondContact O-CB 3.39Å; E421-S425 PolarHBondContact O-N 3.34Å; E421-S425 PolarHBondContact O-OG 3.1Å; F422-S425 WeakPolarHBondContact CA-OG 3.28Å; F422-S425 PolarHBondContact O-OG 3.18Å; S425-S427 VanDerWaalsContact C-N 3.31Å; S425-S427 PolarHBondContact O-N 3.41Å; S425-Q428 PolarHBondContact O-N 2.84Å; S425-A429 PolarHBondContact O-N 2.84Å; S425-F486 PolarHBondContact OG-O 2.97Å |
| 426 | G | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.8 | -33.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F422 Y424 I430 Q451 | F422-G426 PolarHBondContact O-N 3.16Å; Y424-G426 VanDerWaalsContact C-N 3.32Å; Y424-G426 PolarHBondContact O-N 2.83Å; G426-I430 WeakPolarHBondContact O-CD1 3.39Å; G426-I430 VanDerWaalsContact O-CG1 3.28Å; G426-I430 WeakPolarHBondContact O-CG1 3.45Å; G426-I430 PolarHBondContact O-N 3.47Å; G426-Q451 VanDerWaalsContact CA-NE2 3.32Å |
| 427 | S | 93 | Very high | 88.3 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.4 | -41.2 | 173.6 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | D423 Y424 S425 I430 K431 Q451 | D423-S427 WeakPolarHBondContact O-CB 3.37Å; D423-S427 PolarHBondContact O-N 2.97Å; D423-S427 VanDerWaalsContact O-N 3.11Å; D423-S427 PolarHBondContact O-OG 3.37Å; Y424-S427 WeakPolarHBondContact O-CA 3.4Å; Y424-S427 WeakPolarHBondContact O-CB 3.39Å; Y424-S427 PolarHBondContact O-N 3.17Å; S425-S427 VanDerWaalsContact C-N 3.31Å; S425-S427 PolarHBondContact O-N 3.41Å; S427-I430 PolarHBondContact O-N 2.97Å; S427-K431 PolarHBondContact O-N 2.87Å; S427-K431 VanDerWaalsContact O-N 3.09Å; S427-Q451 WeakPolarHBondContact OG-CA 3.34Å |
| 428 | Q | 92.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.023 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.6 | -69.2 | -52.8 | -59.8 | 0 | 0 | 112.5 | Y424 S425 I430 K431 A432 A713 D996 | Y424-Q428 HydrophobicContact CD2-CG 4.18Å; Y424-Q428 HydrophobicContact CE2-CG 3.56Å; Y424-Q428 PolarHBondContact O-N 3.39Å; S425-Q428 PolarHBondContact O-N 2.84Å; Q428-I430 VanDerWaalsContact C-N 3.35Å; Q428-I430 PolarHBondContact O-N 2.89Å; Q428-K431 PolarHBondContact O-N 2.81Å; Q428-A432 PolarHBondContact O-N 3.14Å; Q428-A713 HydrophobicContact CB-CB 3.69Å; Q428-A713 HydrophobicContact CG-CB 4.04Å; Q428-D996 VanDerWaalsContact CD-OD2 3.26Å; Q428-D996 PolarHBondContact NE2-OD2 2.9Å |
| 429 | A | 93.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I408 S425 K431 A432 M433 L483 F486 A717 | I408-A429 HydrophobicContact CD1-CB 4.35Å; S425-A429 PolarHBondContact O-N 2.84Å; A429-K431 VanDerWaalsContact C-N 3.33Å; A429-K431 PolarHBondContact O-N 2.91Å; A429-A432 PolarHBondContact O-N 3.49Å; A429-M433 WeakPolarHBondContact O-CG 3.46Å; A429-M433 PolarHBondContact O-N 3.42Å; A429-L483 HydrophobicContact CB-CD1 4.5Å; A429-F486 HydrophobicContact CB-CD1 3.72Å; A429-F486 HydrophobicContact CB-CD2 4.17Å; A429-F486 HydrophobicContact CB-CE1 3.89Å; A429-F486 HydrophobicContact CB-CE2 4.33Å; A429-F486 HydrophobicContact CB-CG 3.86Å; A429-F486 HydrophobicContact CB-CZ 4.19Å; A429-A717 HydrophobicContact CB-CB 4.08Å |
| 430 | I | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 177 | -68 | 160.3 | 0 | 0 | 0 | 111.2 | I408 G426 S427 Q428 M433 R434 T440 L442 Q451 M456 A457 | I408-I430 HydrophobicContact CD1-CG1 3.6Å; G426-I430 WeakPolarHBondContact O-CD1 3.39Å; G426-I430 VanDerWaalsContact O-CG1 3.28Å; G426-I430 WeakPolarHBondContact O-CG1 3.45Å; G426-I430 PolarHBondContact O-N 3.47Å; S427-I430 PolarHBondContact O-N 2.97Å; Q428-I430 VanDerWaalsContact C-N 3.35Å; Q428-I430 PolarHBondContact O-N 2.89Å; I430-M433 PolarHBondContact O-N 2.77Å; I430-R434 HydrophobicContact CG2-CG 4.47Å; I430-R434 WeakPolarHBondContact O-CG 3.44Å; I430-R434 PolarHBondContact O-N 3.18Å; I430-T440 HydrophobicContact CG2-CG2 4.36Å; I430-L442 HydrophobicContact CD1-CD2 4.19Å; I430-Q451 HydrophobicContact CD1-CG 3.78Å; I430-M456 HydrophobicContact CB-CG 4.41Å; I430-M456 HydrophobicContact CD1-CG 3.96Å; I430-M456 VanDerWaalsContact CG2-C 3.5Å; I430-M456 HydrophobicContact CG2-CG 4.02Å; I430-M456 WeakPolarHBondContact CG2-O 3.38Å; I430-M456 HydrophobicContact CG2-SD 4.42Å; I430-A457 HydrophobicContact CD1-CB 4.08Å; I430-A457 HydrophobicContact CG1-CB 4.47Å; I430-A457 HydrophobicContact CG2-CB 4.34Å |
| 431 | K | 91.8 | Very high | 91 | Very high | 42 Ų | 42 | 23.7 Ų | 23.7 | 18% | 0.183 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.7 | -49.2 | 177.3 | -176.7 | -175.2 | 170.3 | -168.4 | 0 | 111.6 | S427 Q428 A429 M433 R434 E435 Y997 D998 | S427-K431 PolarHBondContact O-N 2.87Å; S427-K431 VanDerWaalsContact O-N 3.09Å; Q428-K431 PolarHBondContact O-N 2.81Å; A429-K431 VanDerWaalsContact C-N 3.33Å; A429-K431 PolarHBondContact O-N 2.91Å; K431-M433 VanDerWaalsContact C-N 3.32Å; K431-M433 PolarHBondContact O-N 3.41Å; K431-R434 PolarHBondContact O-N 3.37Å; K431-E435 VanDerWaalsContact CE-OE1 3.25Å; K431-E435 WeakPolarHBondContact CE-OE1 3.16Å; K431-E435 PolarHBondContact O-N 3.48Å; K431-Y997 PolarHBondContact NZ-OH 2.68Å; K431-D998 WeakPolarHBondContact CE-OD2 3.46Å; K431-D998 IonicContact NZ-OD1 3.76Å; K431-D998 IonicContact NZ-OD2 2.77Å; K431-D998 PolarHBondContact NZ-OD2 3.3Å |
| 432 | A | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q428 A429 S436 Y714 A717 K718 | Q428-A432 PolarHBondContact O-N 3.14Å; A429-A432 PolarHBondContact O-N 3.49Å; A432-S436 PolarHBondContact O-N 3.05Å; A432-S436 PolarHBondContact O-OG 3.12Å; A432-Y714 HydrophobicContact CB-CD2 3.75Å; A432-Y714 HydrophobicContact CB-CE2 3.95Å; A432-A717 HydrophobicContact CB-CB 3.61Å; A432-K718 HydrophobicContact CB-CD 4.13Å; A432-K718 HydrophobicContact CB-CG 4.25Å; A432-K718 PolarHBondContact O-NZ 3.09Å |
| 433 | M | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 176.5 | -65.5 | -64.1 | 126.7 | 0 | 0 | 111.9 | V406 A429 I430 K431 S436 N437 I438 T440 L483 A717 L721 | V406-M433 HydrophobicContact CB-SD 4.42Å; V406-M433 HydrophobicContact CG1-SD 4.43Å; V406-M433 HydrophobicContact CG2-SD 4.17Å; A429-M433 WeakPolarHBondContact O-CG 3.46Å; A429-M433 PolarHBondContact O-N 3.42Å; I430-M433 PolarHBondContact O-N 2.77Å; K431-M433 VanDerWaalsContact C-N 3.32Å; K431-M433 PolarHBondContact O-N 3.41Å; M433-S436 CarbonylContact O-C 3.54Å; M433-S436 WeakPolarHBondContact O-CA 3.28Å; M433-S436 WeakPolarHBondContact O-CB 3.45Å; M433-S436 PolarHBondContact O-N 2.99Å; M433-S436 VanDerWaalsContact O-N 3.09Å; M433-N437 PolarHBondContact O-N 2.75Å; M433-I438 HydrophobicContact CB-CB 4.21Å; M433-I438 HydrophobicContact CB-CG2 4.49Å; M433-I438 WeakPolarHBondContact O-CB 3.23Å; M433-I438 PolarHBondContact O-N 3.27Å; M433-I438 HydrophobicContact SD-CD1 3.97Å; M433-I438 HydrophobicContact SD-CG2 4.38Å; M433-T440 HydrophobicContact CB-CG2 3.49Å; M433-T440 VanDerWaalsContact CB-CG2 3.49Å; M433-T440 HydrophobicContact CG-CG2 4.13Å; M433-L483 HydrophobicContact CE-CD1 3.77Å; M433-L483 HydrophobicContact CG-CD1 4.36Å; M433-L483 HydrophobicContact SD-CD1 4.19Å; M433-A717 HydrophobicContact CE-CB 4.08Å; M433-A717 WeakPolarHBondContact CE-O 3.28Å; M433-L721 HydrophobicContact CE-CD1 3.93Å; M433-L721 HydrophobicContact CE-CD2 3.83Å; M433-L721 HydrophobicContact CE-CG 3.77Å; M433-L721 HydrophobicContact SD-CD1 4.24Å; M433-L721 HydrophobicContact SD-CD2 3.79Å; M433-L721 HydrophobicContact SD-CG 4.28Å |
| 434 | R | 89.4 | Confident | 92.2 | Very high | 118 Ų | 118 | 23.2 Ų | 23.2 | 45% | 0.445 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -66.9 | -41.1 | -178 | -77.7 | -175.9 | 63.5 | -170.2 | 0.5 | 113.5 | I430 K431 S436 N437 T440 G455 M456 | I430-R434 HydrophobicContact CG2-CG 4.47Å; I430-R434 WeakPolarHBondContact O-CG 3.44Å; I430-R434 PolarHBondContact O-N 3.18Å; K431-R434 PolarHBondContact O-N 3.37Å; R434-S436 PolarHBondContact O-N 2.67Å; R434-N437 WeakPolarHBondContact O-CA 3.48Å; R434-N437 PolarHBondContact O-N 3.44Å; R434-T440 HydrophobicContact CG-CG2 4.48Å; R434-G455 PolarHBondContact NH1-O 3.49Å; R434-M456 WeakPolarHBondContact CD-O 3.36Å; R434-M456 PolarHBondContact NH1-O 3.31Å |
| 435 | E | 88.9 | Confident | 92.5 | Very high | 93 Ų | 93 | 23.1 Ų | 23.1 | 44% | 0.435 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -61.2 | -26.3 | 172.7 | -72.6 | 173.4 | -174.4 | 0 | 0 | 112.6 | K431 N437 Y714 K718 | K431-E435 VanDerWaalsContact CE-OE1 3.25Å; K431-E435 WeakPolarHBondContact CE-OE1 3.16Å; K431-E435 PolarHBondContact O-N 3.48Å; E435-N437 VanDerWaalsContact C-N 3.27Å; E435-Y714 VanDerWaalsContact OE2-CE2 3.26Å; E435-Y714 WeakPolarHBondContact OE2-CE2 3.28Å; E435-Y714 PolarHBondContact OE2-OH 3.46Å; E435-K718 IonicContact OE2-NZ 3.78Å; E435-K718 PolarHBondContact OE2-NZ 2.62Å; E435-K718 VanDerWaalsContact OE2-NZ 3.16Å |
| 436 | S | 87.9 | Confident | 92.7 | Very high | 30 Ų | 30 | 23 Ų | 23 | 21% | 0.21 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 10.2 | 173.5 | -66.2 | 0 | 0 | 0 | 0 | 113.2 | A432 M433 R434 I438 K718 | A432-S436 PolarHBondContact O-N 3.05Å; A432-S436 PolarHBondContact O-OG 3.12Å; M433-S436 CarbonylContact O-C 3.54Å; M433-S436 WeakPolarHBondContact O-CA 3.28Å; M433-S436 WeakPolarHBondContact O-CB 3.45Å; M433-S436 PolarHBondContact O-N 2.99Å; M433-S436 VanDerWaalsContact O-N 3.09Å; R434-S436 PolarHBondContact O-N 2.67Å; S436-I438 VanDerWaalsContact C-N 3.26Å; S436-I438 PolarHBondContact O-N 3.22Å; S436-K718 PolarHBondContact OG-NZ 2.82Å |
| 437 | N | 84.5 | Confident | 92.8 | Very high | 155 Ų | 155 | 23 Ų | 23 | 83% | 0.829 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 32.9 | -177.3 | -59.9 | -61.6 | 0 | 0 | 0 | 114.2 | M433 R434 E435 | M433-N437 PolarHBondContact O-N 2.75Å; R434-N437 WeakPolarHBondContact O-CA 3.48Å; R434-N437 PolarHBondContact O-N 3.44Å; E435-N437 VanDerWaalsContact C-N 3.27Å |
| 438 | I | 90.7 | Very high | 92.8 | Very high | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | trans | -98.6 | 130.4 | 178.5 | -59.6 | 170.5 | 0 | 0 | 0 | 109.1 | M402 P403 V406 M433 S436 L721 | M402-I438 HydrophobicContact CE-CD1 3.92Å; M402-I438 HydrophobicContact CE-CG1 4.44Å; P403-I438 HydrophobicContact CG-CD1 4.13Å; P403-I438 HydrophobicContact CG-CG2 4.49Å; P403-I438 WeakPolarHBondContact O-CG1 3.22Å; V406-I438 HydrophobicContact CB-CG2 4.11Å; V406-I438 HydrophobicContact CG2-CG2 3.6Å; M433-I438 HydrophobicContact CB-CB 4.21Å; M433-I438 HydrophobicContact CB-CG2 4.49Å; M433-I438 WeakPolarHBondContact O-CB 3.23Å; M433-I438 PolarHBondContact O-N 3.27Å; M433-I438 HydrophobicContact SD-CD1 3.97Å; M433-I438 HydrophobicContact SD-CG2 4.38Å; S436-I438 VanDerWaalsContact C-N 3.26Å; S436-I438 PolarHBondContact O-N 3.22Å; I438-L721 HydrophobicContact CD1-CD1 3.62Å; I438-L721 HydrophobicContact CD1-CD2 3.44Å; I438-L721 VanDerWaalsContact CD1-CD2 3.44Å; I438-L721 HydrophobicContact CD1-CG 4.19Å | ||
| 439 | Q | 88.9 | Confident | 92.8 | Very high | 32 Ų | 32 | 22.9 Ų | 22.9 | 15% | 0.15 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 135.4 | 176.4 | -169.7 | 179 | 15 | 0 | 0 | 110.8 | R404 K405 V406 D458 | R404-Q439 PolarHBondContact O-N 3.1Å; K405-Q439 CarbonylContact C-O 3.5Å; K405-Q439 VanDerWaalsContact CA-O 3.25Å; K405-Q439 WeakPolarHBondContact CA-O 3.5Å; K405-Q439 HydrophobicContact CB-CB 4.26Å; K405-Q439 HydrophobicContact CG-CB 4.22Å; K405-Q439 HydrophobicContact CG-CG 4.41Å; V406-Q439 PolarHBondContact N-O 3.38Å; Q439-D458 WeakPolarHBondContact CA-OD2 3.23Å; Q439-D458 HydrophobicContact CG-CB 3.88Å |
| 440 | T | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.8 | -174.5 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | I430 M433 R434 A457 D458 K459 | I430-T440 HydrophobicContact CG2-CG2 4.36Å; M433-T440 HydrophobicContact CB-CG2 3.49Å; M433-T440 VanDerWaalsContact CB-CG2 3.49Å; M433-T440 HydrophobicContact CG-CG2 4.13Å; R434-T440 HydrophobicContact CG-CG2 4.48Å; T440-A457 WeakPolarHBondContact OG1-CA 3.5Å; T440-D458 PolarHBondContact N-OD2 2.81Å; T440-D458 WeakPolarHBondContact O-CB 3.39Å; T440-D458 PolarHBondContact O-N 2.68Å; T440-D458 PolarHBondContact OG1-N 2.69Å; T440-D458 VanDerWaalsContact OG1-N 3.07Å; T440-D458 PolarHBondContact OG1-OD2 3.08Å; T440-K459 PolarHBondContact O-N 3.17Å; T440-K459 VanDerWaalsContact O-N 3.15Å |
| 441 | V | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.4 | 170.6 | -179 | 0 | 0 | 0 | 0 | 108 | K405 V406 L407 I408 K459 Y461 V473 E477 | K405-V441 HydrophobicContact CD-CG2 3.79Å; K405-V441 HydrophobicContact CG-CG2 4Å; V406-V441 PolarHBondContact O-N 2.9Å; L407-V441 CarbonylContact C-O 3.55Å; L407-V441 WeakPolarHBondContact CA-O 3.31Å; L407-V441 HydrophobicContact CD1-CB 4.31Å; L407-V441 HydrophobicContact CD1-CG1 4.04Å; I408-V441 PolarHBondContact N-O 3.39Å; V441-K459 CarbonylContact C-O 3.51Å; V441-K459 WeakPolarHBondContact CA-O 3.45Å; V441-K459 HydrophobicContact CG2-CB 4.44Å; V441-Y461 HydrophobicContact CG1-CD2 3.85Å; V441-Y461 HydrophobicContact CG1-CE2 3.88Å; V441-V473 HydrophobicContact CG1-CG1 3.93Å; V441-E477 HydrophobicContact CG1-CG 4.19Å; V441-E477 HydrophobicContact CG2-CB 4.27Å; V441-E477 HydrophobicContact CG2-CG 4.28Å |
| 442 | L | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.3 | 177 | 175.4 | 64.8 | 0 | 0 | 0 | 110 | I408 I430 N444 Q451 T452 A457 K459 C460 Y461 | I408-L442 HydrophobicContact CB-CD1 4.21Å; I408-L442 HydrophobicContact CG2-CD1 4.04Å; I408-L442 WeakPolarHBondContact O-CA 3.16Å; I430-L442 HydrophobicContact CD1-CD2 4.19Å; L442-N444 HydrophobicContact CD1-CB 4.16Å; L442-N444 HydrophobicContact CD2-CB 4.31Å; L442-N444 HydrophobicContact CG-CB 4.13Å; L442-Q451 HydrophobicContact CD1-CG 4.44Å; L442-Q451 VanDerWaalsContact CD1-NE2 3.33Å; L442-Q451 HydrophobicContact CD2-CB 4.37Å; L442-Q451 HydrophobicContact CD2-CG 3.68Å; L442-Q451 WeakPolarHBondContact CD2-O 3.39Å; L442-T452 HydrophobicContact CD2-CG2 3.96Å; L442-A457 HydrophobicContact CB-CB 3.94Å; L442-K459 PolarHBondContact N-O 3.02Å; L442-C460 CarbonylContact O-C 3.58Å; L442-C460 WeakPolarHBondContact O-CA 3.3Å; L442-Y461 PolarHBondContact O-N 3.46Å |
| 443 | I | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112.8 | 162.5 | -53.3 | 171.5 | 0 | 0 | 0 | 107 | L407 I408 L409 G410 Y461 L463 L465 V470 V473 | L407-I443 HydrophobicContact CD1-CD1 3.79Å; L407-I443 HydrophobicContact CD1-CG1 3.88Å; I408-I443 PolarHBondContact O-N 3.06Å; L409-I443 HydrophobicContact CD2-CB 4.34Å; L409-I443 HydrophobicContact CD2-CD1 3.94Å; L409-I443 HydrophobicContact CD2-CG1 4.46Å; G410-I443 PolarHBondContact N-O 3.08Å; I443-Y461 WeakPolarHBondContact CA-O 3.29Å; I443-L463 HydrophobicContact CG2-CB 4.27Å; I443-L465 HydrophobicContact CB-CD2 4.1Å; I443-L465 HydrophobicContact CG2-CD2 3.86Å; I443-L465 WeakPolarHBondContact O-CD2 3.17Å; I443-V470 HydrophobicContact CD1-CB 4.25Å; I443-V470 HydrophobicContact CD1-CG1 4.17Å; I443-V470 HydrophobicContact CD1-CG2 3.92Å; I443-V473 HydrophobicContact CD1-CB 3.69Å; I443-V473 HydrophobicContact CD1-CG1 3.83Å; I443-V473 HydrophobicContact CD1-CG2 3.68Å; I443-V473 HydrophobicContact CG1-CB 4.37Å; I443-V473 HydrophobicContact CG1-CG1 4.11Å; I443-V473 HydrophobicContact CG1-CG2 4.09Å |
| 444 | N | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -155.3 | 116.4 | 173.2 | -166.7 | -4.2 | 0 | 0 | 0 | 109.9 | G412 D423 L442 N446 Q451 T452 Y461 | G412-N444 WeakPolarHBondContact CA-OD1 3.22Å; G412-N444 PolarHBondContact N-OD1 3.13Å; D423-N444 PolarHBondContact OD1-ND2 3.25Å; L442-N444 HydrophobicContact CD1-CB 4.16Å; L442-N444 HydrophobicContact CD2-CB 4.31Å; L442-N444 HydrophobicContact CG-CB 4.13Å; N444-N446 VanDerWaalsContact C-N 3.25Å; N444-N446 PolarHBondContact O-N 3.2Å; N444-N446 WeakPolarHBondContact OD1-CB 3.32Å; N444-N446 PolarHBondContact OD1-N 3.34Å; N444-Q451 PolarHBondContact ND2-OE1 3.24Å; N444-T452 HydrophobicContact CB-CG2 3.82Å; N444-Y461 PolarHBondContact N-O 3.22Å | ||
| 445 | P | 95.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | trans | -79.3 | -6.1 | 177 | 33.5 | -35.9 | 0 | 0 | 0 | 113.1 | I447 L463 V1302 A1303 S1319 | P445-I447 PolarHBondContact O-N 3.06Å; P445-L463 WeakPolarHBondContact CD-O 3.28Å; P445-V1302 HydrophobicContact CB-CB 4.26Å; P445-V1302 HydrophobicContact CB-CG1 4.41Å; P445-V1302 HydrophobicContact CG-CG1 4.33Å; P445-V1302 CarbonylContact O-C 3.53Å; P445-V1302 VanDerWaalsContact O-CA 3.27Å; P445-V1302 WeakPolarHBondContact O-CA 3.5Å; P445-A1303 PolarHBondContact O-N 3.21Å; P445-S1319 WeakPolarHBondContact CB-OG 3.27Å | ||
| 446 | N | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -66.6 | 96.9 | 169.5 | -178.1 | 4.6 | 0 | 0 | 0 | 109.6 | G412 L414 D423 N444 A448 T449 T452 | G412-N446 WeakPolarHBondContact O-CB 3.35Å; L414-N446 WeakPolarHBondContact CD1-ND2 3.44Å; D423-N446 PolarHBondContact OD1-ND2 3.31Å; D423-N446 PolarHBondContact OD2-ND2 2.88Å; N444-N446 VanDerWaalsContact C-N 3.25Å; N444-N446 PolarHBondContact O-N 3.2Å; N444-N446 WeakPolarHBondContact OD1-CB 3.32Å; N444-N446 PolarHBondContact OD1-N 3.34Å; N446-A448 VanDerWaalsContact C-N 3.28Å; N446-A448 PolarHBondContact O-N 3.04Å; N446-A448 PolarHBondContact OD1-N 3.46Å; N446-T449 HydrophobicContact CB-CG2 4.07Å; N446-T449 WeakPolarHBondContact O-CG2 3.33Å; N446-T452 VanDerWaalsContact O-CG2 3.3Å; N446-T452 WeakPolarHBondContact O-CG2 2.98Å; N446-T452 PolarHBondContact O-OG1 2.6Å; N446-T452 VanDerWaalsContact O-OG1 3.09Å | ||
| 447 | I | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -79.7 | -13.5 | -176.9 | -162.2 | 149.3 | 0 | 0 | 0 | 112.7 | P445 F462 F1239 K1242 A1303 F1305 | P445-I447 PolarHBondContact O-N 3.06Å; I447-F462 HydrophobicContact CB-CD1 4.22Å; I447-F462 HydrophobicContact CB-CE1 4.01Å; I447-F462 HydrophobicContact CD1-CD1 3.92Å; I447-F462 HydrophobicContact CD1-CE1 3.79Å; I447-F462 HydrophobicContact CD1-CZ 4.39Å; I447-F462 HydrophobicContact CG1-CD1 4.1Å; I447-F462 HydrophobicContact CG1-CE1 3.62Å; I447-F462 HydrophobicContact CG1-CZ 4.37Å; I447-F1239 HydrophobicContact CD1-CD2 4.1Å; I447-F1239 HydrophobicContact CG2-CB 4.06Å; I447-F1239 HydrophobicContact CG2-CD2 4.24Å; I447-K1242 HydrophobicContact CD1-CB 3.91Å; I447-K1242 HydrophobicContact CD1-CD 4.36Å; I447-K1242 HydrophobicContact CG1-CB 4.03Å; I447-K1242 HydrophobicContact CG1-CD 3.58Å; I447-K1242 HydrophobicContact CG1-CG 4.43Å; I447-K1242 WeakPolarHBondContact O-CD 3.31Å; I447-K1242 WeakPolarHBondContact O-CE 3.49Å; I447-K1242 PolarHBondContact O-NZ 2.71Å; I447-A1303 HydrophobicContact CB-CB 3.8Å; I447-A1303 HydrophobicContact CD1-CB 3.82Å; I447-A1303 HydrophobicContact CG1-CB 4.38Å; I447-A1303 HydrophobicContact CG2-CB 3.45Å; I447-A1303 VanDerWaalsContact CG2-CB 3.45Å; I447-F1305 HydrophobicContact CD1-CE1 3.88Å; I447-F1305 HydrophobicContact CD1-CZ 3.79Å | ||
| 448 | A | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -79.9 | -25.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | N446 V963 E964 W967 E1301 | N446-A448 VanDerWaalsContact C-N 3.28Å; N446-A448 PolarHBondContact O-N 3.04Å; N446-A448 PolarHBondContact OD1-N 3.46Å; A448-V963 HydrophobicContact CB-CG2 3.69Å; A448-E964 HydrophobicContact CB-CB 4.1Å; A448-W967 WeakPolarHBondContact O-CB 3.43Å; A448-E1301 HydrophobicContact CB-CG 4.21Å |
| 449 | T | 93.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 2% | 0.018 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -72.9 | 153.5 | -172.9 | 173.1 | 0 | 0 | 0 | 0 | 115.7 | D423 N446 Q451 T452 K1242 | D423-T449 VanDerWaalsContact CB-OG1 3.23Å; D423-T449 WeakPolarHBondContact CB-OG1 3.4Å; D423-T449 VanDerWaalsContact CG-CB 3.46Å; D423-T449 VanDerWaalsContact CG-OG1 3.29Å; D423-T449 WeakPolarHBondContact OD2-CB 3.37Å; N446-T449 HydrophobicContact CB-CG2 4.07Å; N446-T449 WeakPolarHBondContact O-CG2 3.33Å; T449-Q451 HydrophobicContact CG2-CB 3.85Å; T449-Q451 PolarHBondContact O-N 3.33Å; T449-Q451 WeakPolarHBondContact OG1-CB 3.48Å; T449-Q451 PolarHBondContact OG1-N 3.33Å; T449-T452 HydrophobicContact CG2-CG2 3.86Å; T449-T452 PolarHBondContact O-N 3.22Å; T449-T452 PolarHBondContact O-OG1 3.07Å; T449-K1242 PolarHBondContact O-NZ 3.45Å |
| 450 | V | 92.2 | Very high | 93 | Very high | 3 Ų | 3 | 10.3 Ų | 10.3 | 2% | 0.018 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -59.7 | -31.1 | 168.6 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | T452 S453 M456 W967 V970 V993 | V450-T452 PolarHBondContact O-N 2.71Å; V450-S453 WeakPolarHBondContact CA-OG 3.47Å; V450-S453 VanDerWaalsContact O-CB 3.24Å; V450-S453 WeakPolarHBondContact O-CB 3.36Å; V450-S453 PolarHBondContact O-N 3.03Å; V450-S453 PolarHBondContact O-OG 2.89Å; V450-M456 HydrophobicContact CG1-CE 3.54Å; V450-W967 HydrophobicContact CG2-CB 4.19Å; V450-W967 HydrophobicContact CG2-CG 4.42Å; V450-V970 HydrophobicContact CG1-CG1 4.03Å; V450-V970 HydrophobicContact CG2-CB 3.94Å; V450-V970 HydrophobicContact CG2-CG1 4.07Å; V450-V970 HydrophobicContact CG2-CG2 4.11Å; V450-V993 HydrophobicContact CB-CB 4.27Å; V450-V993 HydrophobicContact CB-CG1 4.3Å; V450-V993 HydrophobicContact CB-CG2 4.14Å; V450-V993 HydrophobicContact CG1-CG1 4.01Å; V450-V993 HydrophobicContact CG2-CB 4.18Å; V450-V993 HydrophobicContact CG2-CG1 4.41Å; V450-V993 HydrophobicContact CG2-CG2 4.46Å |
| 451 | Q | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -56.8 | -36.5 | -179.9 | -160.5 | -162.8 | 18.5 | 0 | 0 | 112.4 | G426 S427 I430 L442 N444 T449 S453 | G426-Q451 VanDerWaalsContact CA-NE2 3.32Å; S427-Q451 WeakPolarHBondContact OG-CA 3.34Å; I430-Q451 HydrophobicContact CD1-CG 3.78Å; L442-Q451 HydrophobicContact CD1-CG 4.44Å; L442-Q451 VanDerWaalsContact CD1-NE2 3.33Å; L442-Q451 HydrophobicContact CD2-CB 4.37Å; L442-Q451 HydrophobicContact CD2-CG 3.68Å; L442-Q451 WeakPolarHBondContact CD2-O 3.39Å; N444-Q451 PolarHBondContact ND2-OE1 3.24Å; T449-Q451 HydrophobicContact CG2-CB 3.85Å; T449-Q451 PolarHBondContact O-N 3.33Å; T449-Q451 WeakPolarHBondContact OG1-CB 3.48Å; T449-Q451 PolarHBondContact OG1-N 3.33Å; Q451-S453 VanDerWaalsContact C-N 3.34Å |
| 452 | T | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.006 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -92.3 | 13.1 | -178.9 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | L442 N444 N446 T449 V450 F462 K1242 | L442-T452 HydrophobicContact CD2-CG2 3.96Å; N444-T452 HydrophobicContact CB-CG2 3.82Å; N446-T452 VanDerWaalsContact O-CG2 3.3Å; N446-T452 WeakPolarHBondContact O-CG2 2.98Å; N446-T452 PolarHBondContact O-OG1 2.6Å; N446-T452 VanDerWaalsContact O-OG1 3.09Å; T449-T452 HydrophobicContact CG2-CG2 3.86Å; T449-T452 PolarHBondContact O-N 3.22Å; T449-T452 PolarHBondContact O-OG1 3.07Å; V450-T452 PolarHBondContact O-N 2.71Å; T452-F462 HydrophobicContact CG2-CE1 4.12Å; T452-F462 HydrophobicContact CG2-CZ 4.5Å; T452-K1242 WeakPolarHBondContact O-CE 3.32Å; T452-K1242 PolarHBondContact OG1-NZ 2.88Å |
| 453 | S | 92.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 10.3 Ų | 10.3 | 11% | 0.105 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -70.6 | 144.2 | 177 | -52 | 0 | 0 | 0 | 0 | 111.8 | V450 Q451 G455 M456 W967 | V450-S453 WeakPolarHBondContact CA-OG 3.47Å; V450-S453 VanDerWaalsContact O-CB 3.24Å; V450-S453 WeakPolarHBondContact O-CB 3.36Å; V450-S453 PolarHBondContact O-N 3.03Å; V450-S453 PolarHBondContact O-OG 2.89Å; Q451-S453 VanDerWaalsContact C-N 3.34Å; S453-G455 PolarHBondContact O-N 3.34Å; S453-M456 WeakPolarHBondContact O-CB 3.38Å; S453-M456 PolarHBondContact O-N 3.47Å; S453-W967 PolarHBondContact OG-NE1 3.35Å |
| 454 | K | 86.1 | Confident | 93.1 | Very high | 110 Ų | 110 | 10.3 Ų | 10.3 | 48% | 0.478 | 6% | 0.06 | S | C | . | . | B | Isolated β-bridge | trans | -58.3 | 129.7 | 173.1 | -166 | 174.1 | -170.5 | 169.6 | 0 | 109.8 | M456 D1245 M1471 T1472 | K454-M456 VanDerWaalsContact C-N 3.31Å; K454-D1245 WeakPolarHBondContact CD-OD1 3.49Å; K454-D1245 IonicContact NZ-OD1 2.9Å; K454-D1245 PolarHBondContact NZ-OD1 2.54Å; K454-D1245 IonicContact NZ-OD2 3.68Å; K454-D1245 PolarHBondContact NZ-OD2 3.27Å; K454-M1471 HydrophobicContact CB-CE 4.22Å; K454-T1472 WeakPolarHBondContact CE-O 3.35Å |
| 455 | G | 82.5 | Confident | 93 | Very high | 34 Ų | 34 | 11.3 Ų | 11.3 | 35% | 0.351 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 6.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R434 S453 | R434-G455 PolarHBondContact NH1-O 3.49Å; S453-G455 PolarHBondContact O-N 3.34Å |
| 456 | M | 89.6 | Confident | 92.9 | Very high | 17 Ų | 17 | 13 Ų | 13 | 8% | 0.084 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -75.9 | 163 | -174.2 | 65.9 | 92.7 | 0 | 0 | 109.1 | I430 R434 V450 S453 K454 | I430-M456 HydrophobicContact CB-CG 4.41Å; I430-M456 HydrophobicContact CD1-CG 3.96Å; I430-M456 VanDerWaalsContact CG2-C 3.5Å; I430-M456 HydrophobicContact CG2-CG 4.02Å; I430-M456 WeakPolarHBondContact CG2-O 3.38Å; I430-M456 HydrophobicContact CG2-SD 4.42Å; R434-M456 WeakPolarHBondContact CD-O 3.36Å; R434-M456 PolarHBondContact NH1-O 3.31Å; V450-M456 HydrophobicContact CG1-CE 3.54Å; S453-M456 WeakPolarHBondContact O-CB 3.38Å; S453-M456 PolarHBondContact O-N 3.47Å; K454-M456 VanDerWaalsContact C-N 3.31Å |
| 457 | A | 92.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 14.9 Ų | 14.9 | 4% | 0.041 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -82.2 | 155.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111 | I430 T440 L442 K459 | I430-A457 HydrophobicContact CD1-CB 4.08Å; I430-A457 HydrophobicContact CG1-CB 4.47Å; I430-A457 HydrophobicContact CG2-CB 4.34Å; T440-A457 WeakPolarHBondContact OG1-CA 3.5Å; L442-A457 HydrophobicContact CB-CB 3.94Å; A457-K459 VanDerWaalsContact C-N 3.31Å |
| 458 | D | 90.3 | Very high | 92.9 | Very high | 18 Ų | 18 | 18 Ų | 18 | 10% | 0.096 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -65.8 | -38.2 | 175 | -62.2 | -88 | 0 | 0 | 0 | 111.7 | Q439 T440 T1472 S1473 R1474 | Q439-D458 WeakPolarHBondContact CA-OD2 3.23Å; Q439-D458 HydrophobicContact CG-CB 3.88Å; T440-D458 PolarHBondContact N-OD2 2.81Å; T440-D458 WeakPolarHBondContact O-CB 3.39Å; T440-D458 PolarHBondContact O-N 2.68Å; T440-D458 PolarHBondContact OG1-N 2.69Å; T440-D458 VanDerWaalsContact OG1-N 3.07Å; T440-D458 PolarHBondContact OG1-OD2 3.08Å; D458-T1472 WeakPolarHBondContact O-CA 3.41Å; D458-T1472 PolarHBondContact O-OG1 3.46Å; D458-S1473 WeakPolarHBondContact CA-OG 3.12Å; D458-S1473 PolarHBondContact O-N 3.03Å; D458-S1473 VanDerWaalsContact O-N 3.08Å; D458-S1473 PolarHBondContact O-OG 3.27Å; D458-R1474 IonicContact OD1-NE 3.93Å; D458-R1474 IonicContact OD1-NH2 3.75Å |
| 459 | K | 92.3 | Very high | 93 | Very high | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.022 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 133.5 | 174.6 | -71.2 | -173.8 | -179.9 | 179.7 | 0 | 110.5 | T440 V441 L442 A457 Y461 E477 M1471 H1799 | T440-K459 PolarHBondContact O-N 3.17Å; T440-K459 VanDerWaalsContact O-N 3.15Å; V441-K459 CarbonylContact C-O 3.51Å; V441-K459 WeakPolarHBondContact CA-O 3.45Å; V441-K459 HydrophobicContact CG2-CB 4.44Å; L442-K459 PolarHBondContact N-O 3.02Å; A457-K459 VanDerWaalsContact C-N 3.31Å; K459-Y461 HydrophobicContact CB-CE2 4.45Å; K459-E477 WeakPolarHBondContact CD-OE1 3.29Å; K459-E477 WeakPolarHBondContact CD-OE2 3.32Å; K459-E477 IonicContact NZ-OE1 2.66Å; K459-E477 PolarHBondContact NZ-OE1 2.81Å; K459-E477 IonicContact NZ-OE2 2.86Å; K459-E477 PolarHBondContact NZ-OE2 2.81Å; K459-M1471 WeakPolarHBondContact CA-O 3.47Å; K459-H1799 PolarHBondContact NZ-CE1 2.88Å; K459-H1799 PolarHBondContact NZ-NE2 2.97Å |
| 460 | C | 95.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 3% | 0.034 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118.8 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 110 | L442 F462 C1470 M1471 | L442-C460 CarbonylContact O-C 3.58Å; L442-C460 WeakPolarHBondContact O-CA 3.3Å; C460-F462 HydrophobicContact CB-CE2 4.39Å; C460-C1470 CarbonylContact O-C 3.4Å; C460-C1470 VanDerWaalsContact O-CA 3.29Å; C460-C1470 WeakPolarHBondContact O-CA 3.15Å; C460-M1471 PolarHBondContact N-O 2.63Å; C460-M1471 PolarHBondContact O-N 2.63Å |
| 461 | Y | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.1 | 177.6 | -77 | -93.7 | 0 | 0 | 0 | 110.7 | V441 L442 I443 N444 K459 L463 V473 E477 M1464 T1466 D1469 C1470 | V441-Y461 HydrophobicContact CG1-CD2 3.85Å; V441-Y461 HydrophobicContact CG1-CE2 3.88Å; L442-Y461 PolarHBondContact O-N 3.46Å; I443-Y461 WeakPolarHBondContact CA-O 3.29Å; N444-Y461 PolarHBondContact N-O 3.22Å; K459-Y461 HydrophobicContact CB-CE2 4.45Å; Y461-L463 VanDerWaalsContact C-N 3.34Å; Y461-L463 HydrophobicContact CD1-CD1 3.81Å; Y461-L463 HydrophobicContact CG-CD1 4.38Å; Y461-L463 PolarHBondContact O-N 3.42Å; Y461-V473 HydrophobicContact CD1-CG2 3.98Å; Y461-V473 HydrophobicContact CD2-CG1 4.03Å; Y461-V473 HydrophobicContact CD2-CG2 4.36Å; Y461-V473 HydrophobicContact CE1-CG2 4.26Å; Y461-V473 HydrophobicContact CE2-CG1 4Å; Y461-V473 HydrophobicContact CG-CG2 4.01Å; Y461-E477 HydrophobicContact CE2-CG 3.78Å; Y461-E477 WeakPolarHBondContact OH-CG 3.33Å; Y461-E477 PolarHBondContact OH-OE1 3.18Å; Y461-M1464 HydrophobicContact CD1-SD 4.05Å; Y461-M1464 HydrophobicContact CE1-CE 4.44Å; Y461-M1464 HydrophobicContact CE1-CG 4.4Å; Y461-M1464 HydrophobicContact CE1-SD 3.71Å; Y461-T1466 HydrophobicContact CE1-CG2 4.36Å; Y461-T1466 WeakPolarHBondContact OH-CG2 3.36Å; Y461-D1469 WeakPolarHBondContact CA-O 3.19Å; Y461-D1469 HydrophobicContact CD1-CB 4.46Å; Y461-C1470 HydrophobicContact CD1-CB 3.96Å; Y461-C1470 HydrophobicContact CD2-CB 4.44Å; Y461-C1470 HydrophobicContact CE1-CB 3.8Å; Y461-C1470 HydrophobicContact CE2-CB 4.26Å; Y461-C1470 HydrophobicContact CG-CB 4.3Å |
| 462 | F | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -91.7 | 68.5 | 177.3 | -65.9 | -88.2 | 0 | 0 | 0 | 110.2 | I447 T452 C460 K1242 C1304 F1305 D1469 M1471 | I447-F462 HydrophobicContact CB-CD1 4.22Å; I447-F462 HydrophobicContact CB-CE1 4.01Å; I447-F462 HydrophobicContact CD1-CD1 3.92Å; I447-F462 HydrophobicContact CD1-CE1 3.79Å; I447-F462 HydrophobicContact CD1-CZ 4.39Å; I447-F462 HydrophobicContact CG1-CD1 4.1Å; I447-F462 HydrophobicContact CG1-CE1 3.62Å; I447-F462 HydrophobicContact CG1-CZ 4.37Å; T452-F462 HydrophobicContact CG2-CE1 4.12Å; T452-F462 HydrophobicContact CG2-CZ 4.5Å; C460-F462 HydrophobicContact CB-CE2 4.39Å; F462-K1242 HydrophobicContact CE1-CD 4.49Å; F462-K1242 HydrophobicContact CZ-CD 4.24Å; F462-C1304 PolarHBondContact O-SG 3.16Å; F462-F1305 HydrophobicContact CB-CD2 4.26Å; F462-F1305 HydrophobicContact CB-CE2 4.24Å; F462-F1305 AromaticContact CD2-CD2 3.96Å; F462-F1305 HydrophobicContact CD2-CD2 3.96Å; F462-F1305 AromaticContact CD2-CE2 3.28Å; F462-F1305 HydrophobicContact CD2-CE2 3.28Å; F462-F1305 AromaticContact CD2-CZ 3.92Å; F462-F1305 HydrophobicContact CD2-CZ 3.92Å; F462-F1305 AromaticContact CE2-CE2 3.74Å; F462-F1305 HydrophobicContact CE2-CE2 3.74Å; F462-F1305 HydrophobicContact CE2-CZ 4.16Å; F462-F1305 HydrophobicContact CG-CD2 4.35Å; F462-F1305 AromaticContact CG-CE2 3.84Å; F462-F1305 HydrophobicContact CG-CE2 3.84Å; F462-F1305 HydrophobicContact CG-CZ 4.2Å; F462-D1469 PolarHBondContact N-O 3.21Å; F462-M1471 HydrophobicContact CD2-CG 4.4Å; F462-M1471 HydrophobicContact CD2-SD 4.45Å; F462-M1471 HydrophobicContact CE2-CB 4.02Å; F462-M1471 HydrophobicContact CE2-CG 3.71Å; F462-M1471 HydrophobicContact CE2-SD 3.45Å; F462-M1471 WeakPolarHBondContact CE2-SD 3.25Å; F462-M1471 HydrophobicContact CZ-SD 3.82Å | ||
| 463 | L | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -126.6 | 156.9 | -174.3 | -69.2 | 170.7 | 0 | 0 | 0 | 111.8 | I443 P445 Y461 L465 Y469 V473 K1315 M1464 D1469 | I443-L463 HydrophobicContact CG2-CB 4.27Å; P445-L463 WeakPolarHBondContact CD-O 3.28Å; Y461-L463 VanDerWaalsContact C-N 3.34Å; Y461-L463 HydrophobicContact CD1-CD1 3.81Å; Y461-L463 HydrophobicContact CG-CD1 4.38Å; Y461-L463 PolarHBondContact O-N 3.42Å; L463-L465 PolarHBondContact O-N 2.83Å; L463-Y469 HydrophobicContact CD1-CD1 4.44Å; L463-Y469 HydrophobicContact CD2-CD1 4.13Å; L463-Y469 HydrophobicContact CD2-CE1 4.35Å; L463-V473 HydrophobicContact CD1-CG2 3.86Å; L463-K1315 HydrophobicContact CD2-CD 4.15Å; L463-M1464 HydrophobicContact CD1-CB 4.32Å; L463-M1464 HydrophobicContact CD1-CG 3.67Å; L463-M1464 HydrophobicContact CD1-SD 3.74Å; L463-D1469 HydrophobicContact CD1-CB 4.39Å; L463-D1469 HydrophobicContact CD2-CB 3.9Å; L463-D1469 HydrophobicContact CG-CB 4.11Å | ||
| 464 | P | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -59.6 | 133.4 | 172.6 | -21 | 30.8 | 0 | 0 | 0 | 112.3 | T466 Y469 K1315 M1318 S1319 | P464-T466 HydrophobicContact CB-CG2 4.08Å; P464-T466 PolarHBondContact O-N 3Å; P464-Y469 HydrophobicContact CB-CD2 3.8Å; P464-Y469 HydrophobicContact CB-CE2 4.1Å; P464-Y469 HydrophobicContact CG-CD2 3.74Å; P464-Y469 HydrophobicContact CG-CE2 3.62Å; P464-Y469 WeakPolarHBondContact O-CB 3.47Å; P464-K1315 WeakPolarHBondContact CG-O 3.39Å; P464-M1318 HydrophobicContact CB-CB 4.13Å; P464-M1318 HydrophobicContact CG-CB 3.69Å; P464-S1319 WeakPolarHBondContact CA-OG 3.42Å; P464-S1319 WeakPolarHBondContact CG-OG 3.2Å | ||
| 465 | L | 94.2 | Very high | 93.9 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 11% | 0.11 | 12% | 0.116 | C | C | . | . | trans | -74.9 | 71.4 | 174.8 | -75.4 | 166.3 | 0 | 0 | 0 | 111.3 | L409 G410 I443 L463 T490 | L409-L465 HydrophobicContact CB-CD2 4.16Å; L409-L465 HydrophobicContact CD2-CD2 4.19Å; G410-L465 WeakPolarHBondContact O-CD1 3.19Å; I443-L465 HydrophobicContact CB-CD2 4.1Å; I443-L465 HydrophobicContact CG2-CD2 3.86Å; I443-L465 WeakPolarHBondContact O-CD2 3.17Å; L463-L465 PolarHBondContact O-N 2.83Å; L465-T490 HydrophobicContact CB-CG2 3.86Å; L465-T490 HydrophobicContact CD1-CG2 3.85Å | ||
| 466 | T | 94.2 | Very high | 94 | Very high | 36 Ų | 36 | 20.3 Ų | 20.3 | 22% | 0.221 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -126.5 | 152.5 | 178.5 | 66.4 | 0 | 0 | 0 | 0 | 110.2 | P464 H468 Y469 V470 | P464-T466 HydrophobicContact CB-CG2 4.08Å; P464-T466 PolarHBondContact O-N 3Å; T466-H468 PolarHBondContact O-N 3.49Å; T466-Y469 PolarHBondContact O-N 3.49Å; T466-Y469 VanDerWaalsContact O-N 3.1Å; T466-Y469 WeakPolarHBondContact OG1-CD2 3.18Å; T466-V470 WeakPolarHBondContact O-CG2 3.21Å; T466-V470 PolarHBondContact O-N 3.46Å |
| 467 | P | 95.3 | Very high | 93.9 | Very high | 39 Ų | 39 | 19.5 Ų | 19.5 | 25% | 0.253 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -52.3 | -34.9 | 179.5 | -28.4 | 34.2 | 0 | 0 | 0 | 113.3 | E471 Q497 L498 | P467-E471 WeakPolarHBondContact O-CB 3.42Å; P467-E471 PolarHBondContact O-N 3.33Å; P467-Q497 HydrophobicContact CG-CB 3.78Å; P467-L498 HydrophobicContact CB-CD2 3.92Å; P467-L498 HydrophobicContact CB-CG 4.26Å |
| 468 | H | 95 | Very high | 93.8 | Very high | 67 Ų | 67 | 21.4 Ų | 21.4 | 31% | 0.31 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -61.4 | -50.5 | 178.5 | -178.9 | 71.1 | 0 | 0 | 0 | 113.5 | T466 Q472 | T466-H468 PolarHBondContact O-N 3.49Å; H468-Q472 PolarHBondContact CE1-NE2 3.11Å; H468-Q472 VanDerWaalsContact CE1-NE2 3.26Å; H468-Q472 PolarHBondContact NE2-NE2 2.76Å; H468-Q472 WeakPolarHBondContact O-CG 3.39Å; H468-Q472 PolarHBondContact O-N 2.99Å |
| 469 | Y | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -78.3 | -35.9 | -178.9 | -74.7 | -66.3 | 0 | 0 | 0 | 112 | L463 P464 T466 E471 Q472 V473 M1318 P1462 | L463-Y469 HydrophobicContact CD1-CD1 4.44Å; L463-Y469 HydrophobicContact CD2-CD1 4.13Å; L463-Y469 HydrophobicContact CD2-CE1 4.35Å; P464-Y469 HydrophobicContact CB-CD2 3.8Å; P464-Y469 HydrophobicContact CB-CE2 4.1Å; P464-Y469 HydrophobicContact CG-CD2 3.74Å; P464-Y469 HydrophobicContact CG-CE2 3.62Å; P464-Y469 WeakPolarHBondContact O-CB 3.47Å; T466-Y469 PolarHBondContact O-N 3.49Å; T466-Y469 VanDerWaalsContact O-N 3.1Å; T466-Y469 WeakPolarHBondContact OG1-CD2 3.18Å; Y469-E471 VanDerWaalsContact C-N 3.32Å; Y469-E471 PolarHBondContact O-N 3.17Å; Y469-Q472 WeakPolarHBondContact O-CB 3.22Å; Y469-Q472 PolarHBondContact O-N 2.81Å; Y469-Q472 VanDerWaalsContact O-N 3.13Å; Y469-V473 WeakPolarHBondContact O-CG2 3.44Å; Y469-V473 PolarHBondContact O-N 2.8Å; Y469-M1318 HydrophobicContact CE2-CE 3.65Å; Y469-M1318 HydrophobicContact CE2-SD 4.33Å; Y469-P1462 VanDerWaalsContact CE1-O 3.23Å; Y469-P1462 WeakPolarHBondContact CE1-O 3.46Å; Y469-P1462 PolarHBondContact OH-O 3.39Å |
| 470 | V | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | L407 L409 I443 T466 Q472 V473 I474 L498 | L407-V470 HydrophobicContact CD2-CG1 4.05Å; L409-V470 HydrophobicContact CD2-CG1 3.9Å; L409-V470 HydrophobicContact CD2-CG2 3.96Å; I443-V470 HydrophobicContact CD1-CB 4.25Å; I443-V470 HydrophobicContact CD1-CG1 4.17Å; I443-V470 HydrophobicContact CD1-CG2 3.92Å; T466-V470 WeakPolarHBondContact O-CG2 3.21Å; T466-V470 PolarHBondContact O-N 3.46Å; V470-Q472 VanDerWaalsContact C-N 3.33Å; V470-Q472 PolarHBondContact O-N 2.98Å; V470-V473 PolarHBondContact O-N 3.45Å; V470-I474 HydrophobicContact CG1-CD1 3.95Å; V470-I474 HydrophobicContact CG1-CG1 4.43Å; V470-I474 VanDerWaalsContact O-CG1 3.31Å; V470-I474 WeakPolarHBondContact O-CG1 3.31Å; V470-I474 PolarHBondContact O-N 2.88Å; V470-L498 HydrophobicContact CB-CD1 3.91Å; V470-L498 HydrophobicContact CG1-CD1 3.43Å; V470-L498 VanDerWaalsContact CG1-CD1 3.43Å |
| 471 | E | 96.8 | Very high | 93.8 | Very high | 54 Ų | 54 | 22.7 Ų | 22.7 | 25% | 0.252 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 173 | -173.9 | 177.9 | -171.9 | 0 | 0 | 112 | P467 Y469 V473 I474 K475 V503 K506 Y507 | P467-E471 WeakPolarHBondContact O-CB 3.42Å; P467-E471 PolarHBondContact O-N 3.33Å; Y469-E471 VanDerWaalsContact C-N 3.32Å; Y469-E471 PolarHBondContact O-N 3.17Å; E471-V473 PolarHBondContact O-N 2.79Å; E471-I474 PolarHBondContact O-N 3.28Å; E471-K475 VanDerWaalsContact O-CB 3.3Å; E471-K475 WeakPolarHBondContact O-CB 3.24Å; E471-K475 PolarHBondContact O-N 2.92Å; E471-V503 HydrophobicContact CB-CG1 4.16Å; E471-V503 HydrophobicContact CG-CG1 3.82Å; E471-V503 HydrophobicContact CG-CG2 4.4Å; E471-K506 IonicContact OE1-NZ 2.96Å; E471-K506 PolarHBondContact OE1-NZ 3.41Å; E471-Y507 HydrophobicContact CG-CE2 3.77Å |
| 472 | Q | 94.7 | Very high | 93.8 | Very high | 46 Ų | 46 | 22.7 Ų | 22.7 | 22% | 0.215 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.4 | -73.2 | -175.2 | 30.1 | 0 | 0 | 112.2 | H468 Y469 V470 K475 S476 M1464 | H468-Q472 PolarHBondContact CE1-NE2 3.11Å; H468-Q472 VanDerWaalsContact CE1-NE2 3.26Å; H468-Q472 PolarHBondContact NE2-NE2 2.76Å; H468-Q472 WeakPolarHBondContact O-CG 3.39Å; H468-Q472 PolarHBondContact O-N 2.99Å; Y469-Q472 WeakPolarHBondContact O-CB 3.22Å; Y469-Q472 PolarHBondContact O-N 2.81Å; Y469-Q472 VanDerWaalsContact O-N 3.13Å; V470-Q472 VanDerWaalsContact C-N 3.33Å; V470-Q472 PolarHBondContact O-N 2.98Å; Q472-K475 PolarHBondContact O-N 3.16Å; Q472-S476 WeakPolarHBondContact O-CB 3.27Å; Q472-S476 PolarHBondContact O-N 3.15Å; Q472-M1464 HydrophobicContact CB-CB 4.18Å; Q472-M1464 HydrophobicContact CB-CE 4.2Å; Q472-M1464 HydrophobicContact CB-SD 4.15Å; Q472-M1464 WeakPolarHBondContact O-CE 3.43Å |
| 473 | V | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | L407 V441 I443 Y461 L463 Y469 V470 E471 K475 S476 E477 M1464 | L407-V473 HydrophobicContact CD1-CG1 4.34Å; V441-V473 HydrophobicContact CG1-CG1 3.93Å; I443-V473 HydrophobicContact CD1-CB 3.69Å; I443-V473 HydrophobicContact CD1-CG1 3.83Å; I443-V473 HydrophobicContact CD1-CG2 3.68Å; I443-V473 HydrophobicContact CG1-CB 4.37Å; I443-V473 HydrophobicContact CG1-CG1 4.11Å; I443-V473 HydrophobicContact CG1-CG2 4.09Å; Y461-V473 HydrophobicContact CD1-CG2 3.98Å; Y461-V473 HydrophobicContact CD2-CG1 4.03Å; Y461-V473 HydrophobicContact CD2-CG2 4.36Å; Y461-V473 HydrophobicContact CE1-CG2 4.26Å; Y461-V473 HydrophobicContact CE2-CG1 4Å; Y461-V473 HydrophobicContact CG-CG2 4.01Å; L463-V473 HydrophobicContact CD1-CG2 3.86Å; Y469-V473 WeakPolarHBondContact O-CG2 3.44Å; Y469-V473 PolarHBondContact O-N 2.8Å; V470-V473 PolarHBondContact O-N 3.45Å; E471-V473 PolarHBondContact O-N 2.79Å; V473-K475 VanDerWaalsContact C-N 3.29Å; V473-K475 PolarHBondContact O-N 3.07Å; V473-S476 PolarHBondContact O-N 3.3Å; V473-S476 VanDerWaalsContact O-N 3.11Å; V473-E477 HydrophobicContact CG1-CB 4.48Å; V473-E477 HydrophobicContact CG1-CG 4.11Å; V473-E477 WeakPolarHBondContact O-CB 3.4Å; V473-E477 PolarHBondContact O-N 3.43Å; V473-M1464 HydrophobicContact CB-SD 4.31Å; V473-M1464 HydrophobicContact CG2-SD 3.44Å; V473-M1464 WeakPolarHBondContact CG2-SD 3.15Å |
| 474 | I | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 175.4 | -69.6 | 168.3 | 0 | 0 | 0 | 110.9 | L407 V470 E471 S476 R478 P479 V503 F504 Y507 V509 | L407-I474 HydrophobicContact CD2-CD1 4.02Å; L407-I474 HydrophobicContact CD2-CG1 3.67Å; V470-I474 HydrophobicContact CG1-CD1 3.95Å; V470-I474 HydrophobicContact CG1-CG1 4.43Å; V470-I474 VanDerWaalsContact O-CG1 3.31Å; V470-I474 WeakPolarHBondContact O-CG1 3.31Å; V470-I474 PolarHBondContact O-N 2.88Å; E471-I474 PolarHBondContact O-N 3.28Å; I474-S476 VanDerWaalsContact C-N 3.28Å; I474-S476 PolarHBondContact O-N 3.3Å; I474-R478 WeakPolarHBondContact O-CA 3.32Å; I474-R478 PolarHBondContact O-N 3.14Å; I474-P479 HydrophobicContact CG1-CG 4.22Å; I474-V503 HydrophobicContact CD1-CG1 4.19Å; I474-F504 HydrophobicContact CD1-CD1 4.23Å; I474-F504 HydrophobicContact CD1-CE1 4.01Å; I474-Y507 HydrophobicContact CB-CD2 4.48Å; I474-Y507 HydrophobicContact CG2-CD2 3.52Å; I474-Y507 HydrophobicContact CG2-CE2 4.39Å; I474-Y507 HydrophobicContact CG2-CG 3.71Å; I474-V509 HydrophobicContact CG2-CG2 3.74Å |
| 475 | K | 89.8 | Confident | 93.2 | Very high | 103 Ų | 103 | 23.3 Ų | 23.3 | 45% | 0.448 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.6 | -173.8 | -176 | 175.4 | -170.8 | 0 | 111.4 | E471 Q472 V473 R478 | E471-K475 VanDerWaalsContact O-CB 3.3Å; E471-K475 WeakPolarHBondContact O-CB 3.24Å; E471-K475 PolarHBondContact O-N 2.92Å; Q472-K475 PolarHBondContact O-N 3.16Å; V473-K475 VanDerWaalsContact C-N 3.29Å; V473-K475 PolarHBondContact O-N 3.07Å; K475-R478 VanDerWaalsContact O-CZ 3.31Å; K475-R478 PolarHBondContact O-NE 3.41Å |
| 476 | S | 85.9 | Confident | 93.2 | Very high | 11 Ų | 11 | 22.3 Ų | 22.3 | 8% | 0.077 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -85.5 | -37.9 | -174.9 | -168.1 | 0 | 0 | 0 | 0 | 114.4 | Q472 V473 I474 M1464 T1466 R1800 | Q472-S476 WeakPolarHBondContact O-CB 3.27Å; Q472-S476 PolarHBondContact O-N 3.15Å; V473-S476 PolarHBondContact O-N 3.3Å; V473-S476 VanDerWaalsContact O-N 3.11Å; I474-S476 VanDerWaalsContact C-N 3.28Å; I474-S476 PolarHBondContact O-N 3.3Å; S476-M1464 VanDerWaalsContact CB-CE 3.47Å; S476-T1466 PolarHBondContact OG-OG1 2.82Å; S476-R1800 PolarHBondContact O-NH2 2.88Å; S476-R1800 PolarHBondContact OG-NH2 3.02Å |
| 477 | E | 88.1 | Confident | 92.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -101.2 | -16.1 | -173.4 | -68.7 | -61.8 | 149 | 0 | 0 | 113.7 | K405 V441 K459 Y461 V473 R1800 | K405-E477 HydrophobicContact CD-CB 4.45Å; K405-E477 VanDerWaalsContact CD-O 3.29Å; K405-E477 WeakPolarHBondContact CD-O 3.21Å; K405-E477 PolarHBondContact NZ-O 2.83Å; K405-E477 IonicContact NZ-OE2 2.74Å; K405-E477 PolarHBondContact NZ-OE2 3.48Å; V441-E477 HydrophobicContact CG1-CG 4.19Å; V441-E477 HydrophobicContact CG2-CB 4.27Å; V441-E477 HydrophobicContact CG2-CG 4.28Å; K459-E477 WeakPolarHBondContact CD-OE1 3.29Å; K459-E477 WeakPolarHBondContact CD-OE2 3.32Å; K459-E477 IonicContact NZ-OE1 2.66Å; K459-E477 PolarHBondContact NZ-OE1 2.81Å; K459-E477 IonicContact NZ-OE2 2.86Å; K459-E477 PolarHBondContact NZ-OE2 2.81Å; Y461-E477 HydrophobicContact CE2-CG 3.78Å; Y461-E477 WeakPolarHBondContact OH-CG 3.33Å; Y461-E477 PolarHBondContact OH-OE1 3.18Å; V473-E477 HydrophobicContact CG1-CB 4.48Å; V473-E477 HydrophobicContact CG1-CG 4.11Å; V473-E477 WeakPolarHBondContact O-CB 3.4Å; V473-E477 PolarHBondContact O-N 3.43Å; E477-R1800 IonicContact OE1-NH2 2.65Å; E477-R1800 PolarHBondContact OE1-NH2 2.81Å |
| 478 | R | 89.1 | Confident | 92.5 | Very high | 45 Ų | 45 | 18.8 Ų | 18.8 | 17% | 0.17 | 9% | 0.088 | C | C | . | . | trans | 47.7 | 52.2 | 178.8 | -59.1 | -60.6 | -172 | -157.5 | 4 | 114.4 | I474 K475 V1810 | I474-R478 WeakPolarHBondContact O-CA 3.32Å; I474-R478 PolarHBondContact O-N 3.14Å; K475-R478 VanDerWaalsContact O-CZ 3.31Å; K475-R478 PolarHBondContact O-NE 3.41Å; R478-V1810 HydrophobicContact CB-CG1 4.45Å; R478-V1810 HydrophobicContact CG-CG1 3.53Å | ||
| 479 | P | 93.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.013 | 8% | 0.075 | C | C | . | . | trans | -63.7 | 147.5 | 175.7 | 30.7 | -36.1 | 0 | 0 | 0 | 111.3 | K405 L407 I474 V509 | K405-P479 HydrophobicContact CD-CB 4.44Å; K405-P479 HydrophobicContact CG-CB 4.36Å; L407-P479 HydrophobicContact CB-CB 3.93Å; L407-P479 HydrophobicContact CB-CG 3.9Å; L407-P479 HydrophobicContact CD2-CG 4.45Å; I474-P479 HydrophobicContact CG1-CG 4.22Å; P479-V509 HydrophobicContact CG-CG1 4.48Å; P479-V509 HydrophobicContact CG-CG2 4.38Å; P479-V509 WeakPolarHBondContact O-CG2 3.33Å | ||
| 480 | N | 90.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 18.2 Ų | 18.2 | 28% | 0.278 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -95.5 | -15.7 | 176.1 | -53.1 | 117.8 | 0 | 0 | 0 | 112.6 | P403 K405 R510 | P403-N480 HydrophobicContact CB-CB 4.4Å; K405-N480 PolarHBondContact O-N 3.35Å; N480-R510 PolarHBondContact O-N 3.22Å |
| 481 | G | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 155.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K405 V406 L407 R510 | K405-G481 PolarHBondContact O-N 3.23Å; V406-G481 CarbonylContact C-O 3.57Å; V406-G481 WeakPolarHBondContact CA-O 3.49Å; L407-G481 PolarHBondContact N-O 3.42Å; G481-R510 CarbonylContact C-O 3.56Å; G481-R510 WeakPolarHBondContact CA-O 3.08Å |
| 482 | V | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137 | 170.6 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | L407 L484 F504 V509 R510 I511 L512 | L407-V482 HydrophobicContact CB-CB 4.32Å; L407-V482 HydrophobicContact CB-CG2 4.14Å; L407-V482 HydrophobicContact CD2-CG2 4.1Å; L407-V482 HydrophobicContact CG-CG2 4.12Å; L407-V482 CarbonylContact O-C 3.48Å; L407-V482 VanDerWaalsContact O-CA 3.26Å; L407-V482 WeakPolarHBondContact O-CA 3.46Å; V482-L484 HydrophobicContact CG2-CD2 3.85Å; V482-L484 HydrophobicContact CG2-CG 4.39Å; V482-F504 HydrophobicContact CG1-CD1 4.3Å; V482-F504 HydrophobicContact CG1-CE1 3.9Å; V482-F504 HydrophobicContact CG1-CZ 4.06Å; V482-F504 HydrophobicContact CG2-CE1 4.48Å; V482-V509 HydrophobicContact CB-CG1 3.85Å; V482-V509 HydrophobicContact CG1-CG1 3.88Å; V482-R510 PolarHBondContact N-O 3.3Å; V482-I511 HydrophobicContact CG1-CB 4.37Å; V482-I511 HydrophobicContact CG1-CG1 3.91Å; V482-L512 PolarHBondContact O-N 3.02Å |
| 483 | L | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.5 | 173 | -67.1 | 168.6 | 0 | 0 | 0 | 109.4 | V406 L407 I408 A429 M433 F486 L512 A720 | V406-L483 HydrophobicContact CG1-CD1 3.8Å; V406-L483 HydrophobicContact CG1-CG 3.81Å; L407-L483 PolarHBondContact O-N 3.48Å; I408-L483 HydrophobicContact CD1-CD1 4.27Å; I408-L483 HydrophobicContact CG1-CB 4.4Å; I408-L483 HydrophobicContact CG1-CD1 4.1Å; A429-L483 HydrophobicContact CB-CD1 4.5Å; M433-L483 HydrophobicContact CE-CD1 3.77Å; M433-L483 HydrophobicContact CG-CD1 4.36Å; M433-L483 HydrophobicContact SD-CD1 4.19Å; L483-F486 HydrophobicContact CB-CD2 3.89Å; L483-F486 HydrophobicContact CB-CE2 4.16Å; L483-F486 HydrophobicContact CD1-CD2 4.41Å; L483-F486 HydrophobicContact CD1-CE2 4.2Å; L483-F486 HydrophobicContact CD2-CE2 3.96Å; L483-F486 HydrophobicContact CG-CE2 4.34Å; L483-L512 HydrophobicContact CD2-CB 3.56Å; L483-L512 HydrophobicContact CD2-CD1 4.35Å; L483-L512 HydrophobicContact CG-CB 4.37Å; L483-A720 HydrophobicContact CD2-CB 3.64Å |
| 484 | L | 92.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | trans | -104.6 | -22.6 | -177 | -61.2 | 177.8 | 0 | 0 | 0 | 113.3 | L409 V482 F486 L492 F504 I511 I516 | L409-L484 HydrophobicContact CD1-CD2 3.73Å; L409-L484 HydrophobicContact CG-CD2 4.37Å; V482-L484 HydrophobicContact CG2-CD2 3.85Å; V482-L484 HydrophobicContact CG2-CG 4.39Å; L484-F486 VanDerWaalsContact C-N 3.3Å; L484-F486 PolarHBondContact O-N 3.22Å; L484-L492 HydrophobicContact CB-CD2 4.02Å; L484-L492 WeakPolarHBondContact O-CD2 3.23Å; L484-F504 HydrophobicContact CD1-CE2 4.47Å; L484-F504 HydrophobicContact CD2-CZ 4.49Å; L484-I511 HydrophobicContact CD1-CD1 4.25Å; L484-I511 HydrophobicContact CD1-CG2 4.06Å; L484-I516 HydrophobicContact CD1-CD1 4.34Å | ||
| 485 | T | 90.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 16.8 Ų | 16.8 | 7% | 0.067 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.9 | -170.8 | 50.5 | 0 | 0 | 0 | 0 | 115.2 | I519 R696 L697 | T485-I519 HydrophobicContact CG2-CD1 4.3Å; T485-R696 HydrophobicContact CG2-CB 4.29Å; T485-L697 PolarHBondContact O-N 3.24Å |
| 486 | F | 92.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 0% | 0.004 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -7.9 | -175 | -59 | -89.1 | 0 | 0 | 0 | 114.2 | S425 A429 L483 L484 L697 A713 A716 A717 | S425-F486 PolarHBondContact OG-O 2.97Å; A429-F486 HydrophobicContact CB-CD1 3.72Å; A429-F486 HydrophobicContact CB-CD2 4.17Å; A429-F486 HydrophobicContact CB-CE1 3.89Å; A429-F486 HydrophobicContact CB-CE2 4.33Å; A429-F486 HydrophobicContact CB-CG 3.86Å; A429-F486 HydrophobicContact CB-CZ 4.19Å; L483-F486 HydrophobicContact CB-CD2 3.89Å; L483-F486 HydrophobicContact CB-CE2 4.16Å; L483-F486 HydrophobicContact CD1-CD2 4.41Å; L483-F486 HydrophobicContact CD1-CE2 4.2Å; L483-F486 HydrophobicContact CD2-CE2 3.96Å; L483-F486 HydrophobicContact CG-CE2 4.34Å; L484-F486 VanDerWaalsContact C-N 3.3Å; L484-F486 PolarHBondContact O-N 3.22Å; F486-L697 HydrophobicContact CD1-CD2 4.1Å; F486-L697 HydrophobicContact CD1-CG 4.44Å; F486-L697 HydrophobicContact CE1-CD2 3.96Å; F486-A713 HydrophobicContact CE1-CB 4.46Å; F486-A713 WeakPolarHBondContact CE1-O 3.39Å; F486-A716 HydrophobicContact CE1-CB 4.39Å; F486-A716 HydrophobicContact CZ-CB 4.23Å; F486-A717 HydrophobicContact CE1-CB 4.21Å; F486-A717 HydrophobicContact CZ-CB 3.82Å |
| 487 | G | 88.3 | Confident | 90.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -107 | 14.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L409 S411 Q418 | L409-G487 VanDerWaalsContact O-CA 3.31Å; L409-G487 WeakPolarHBondContact O-CA 3.47Å; S411-G487 WeakPolarHBondContact CA-O 3.27Å; Q418-G487 PolarHBondContact NE2-O 3.17Å |
| 488 | G | 86.5 | Confident | 91.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | 63.2 | -157 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F422 T490 A491 L492 | F422-G488 VanDerWaalsContact CD1-CA 3.44Å; F422-G488 VanDerWaalsContact CZ-CA 3.48Å; G488-T490 VanDerWaalsContact C-N 3.29Å; G488-T490 PolarHBondContact O-N 3.47Å; G488-A491 PolarHBondContact O-N 3.38Å; G488-L492 WeakPolarHBondContact O-CG 3.47Å; G488-L492 PolarHBondContact O-N 3.46Å; G488-L492 VanDerWaalsContact O-N 3.09Å |
| 489 | Q | 83.3 | Confident | 91.3 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.9 | -33.3 | -174.3 | -159.5 | 67.8 | 30 | 0 | 0 | 113.2 | A491 L492 N493 E523 L570 | Q489-A491 PolarHBondContact O-N 3.28Å; Q489-L492 PolarHBondContact O-N 2.64Å; Q489-N493 PolarHBondContact NE2-OD1 3.16Å; Q489-N493 VanDerWaalsContact NE2-OD1 3.16Å; Q489-N493 VanDerWaalsContact O-CB 3.26Å; Q489-N493 WeakPolarHBondContact O-CB 3.43Å; Q489-N493 VanDerWaalsContact O-CG 3.23Å; Q489-N493 PolarHBondContact O-N 3.44Å; Q489-E523 PolarHBondContact NE2-OE2 2.66Å; Q489-E523 PolarHBondContact OE1-OE1 3.22Å; Q489-E523 PolarHBondContact OE1-OE2 2.93Å; Q489-L570 HydrophobicContact CB-CD1 3.46Å; Q489-L570 VanDerWaalsContact CB-CD1 3.46Å; Q489-L570 HydrophobicContact CG-CD1 4.25Å |
| 490 | T | 86.5 | Confident | 91.3 | Very high | 47 Ų | 47 | 27.1 Ų | 27.1 | 29% | 0.288 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 179.5 | -67 | 0 | 0 | 0 | 0 | 111 | S411 Q418 L465 G488 C494 | S411-T490 WeakPolarHBondContact O-CB 3.35Å; Q418-T490 PolarHBondContact NE2-OG1 2.94Å; Q418-T490 PolarHBondContact OE1-OG1 2.91Å; L465-T490 HydrophobicContact CB-CG2 3.86Å; L465-T490 HydrophobicContact CD1-CG2 3.85Å; G488-T490 VanDerWaalsContact C-N 3.29Å; G488-T490 PolarHBondContact O-N 3.47Å; T490-C494 WeakPolarHBondContact O-CB 3.5Å; T490-C494 PolarHBondContact O-N 3.06Å; T490-C494 VanDerWaalsContact O-N 3.12Å |
| 491 | A | 91.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.1 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L409 G488 Q489 C494 G495 | L409-A491 HydrophobicContact CB-CB 3.66Å; G488-A491 PolarHBondContact O-N 3.38Å; Q489-A491 PolarHBondContact O-N 3.28Å; A491-C494 PolarHBondContact O-N 3.28Å; A491-G495 PolarHBondContact O-N 2.98Å |
| 492 | L | 89.6 | Confident | 91.5 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -50.4 | 178.3 | -71.3 | -168.5 | 0 | 0 | 0 | 112 | L484 G488 Q489 C494 G495 V496 I519 R696 | L484-L492 HydrophobicContact CB-CD2 4.02Å; L484-L492 WeakPolarHBondContact O-CD2 3.23Å; G488-L492 WeakPolarHBondContact O-CG 3.47Å; G488-L492 PolarHBondContact O-N 3.46Å; G488-L492 VanDerWaalsContact O-N 3.09Å; Q489-L492 PolarHBondContact O-N 2.64Å; L492-C494 VanDerWaalsContact C-N 3.31Å; L492-C494 PolarHBondContact O-N 3.43Å; L492-G495 PolarHBondContact O-N 2.63Å; L492-G495 VanDerWaalsContact O-N 3.1Å; L492-V496 WeakPolarHBondContact O-CG2 3.42Å; L492-V496 PolarHBondContact O-N 3.06Å; L492-I519 HydrophobicContact CD1-CG2 3.9Å; L492-I519 HydrophobicContact CD2-CD1 3.8Å; L492-I519 HydrophobicContact CD2-CG1 4.37Å; L492-I519 HydrophobicContact CD2-CG2 4.02Å; L492-I519 HydrophobicContact CG-CG2 4.42Å; L492-R696 HydrophobicContact CD1-CB 4.41Å; L492-R696 HydrophobicContact CD1-CG 4.01Å |
| 493 | N | 87 | Confident | 91.5 | Very high | 59 Ų | 59 | 29.7 Ų | 29.7 | 32% | 0.316 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.7 | -43 | 179.2 | -74.7 | -12.4 | 0 | 0 | 0 | 111.2 | Q489 Q497 | Q489-N493 PolarHBondContact NE2-OD1 3.16Å; Q489-N493 VanDerWaalsContact NE2-OD1 3.16Å; Q489-N493 VanDerWaalsContact O-CB 3.26Å; Q489-N493 WeakPolarHBondContact O-CB 3.43Å; Q489-N493 VanDerWaalsContact O-CG 3.23Å; Q489-N493 PolarHBondContact O-N 3.44Å; N493-Q497 WeakPolarHBondContact O-CB 3.41Å; N493-Q497 VanDerWaalsContact O-CG 3.24Å; N493-Q497 WeakPolarHBondContact O-CG 3.21Å; N493-Q497 PolarHBondContact O-N 2.83Å; N493-Q497 VanDerWaalsContact O-N 3.08Å |
| 494 | C | 92.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.1 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | L409 T490 A491 L492 Q497 L498 | L409-C494 HydrophobicContact CD1-CB 4.38Å; T490-C494 WeakPolarHBondContact O-CB 3.5Å; T490-C494 PolarHBondContact O-N 3.06Å; T490-C494 VanDerWaalsContact O-N 3.12Å; A491-C494 PolarHBondContact O-N 3.28Å; L492-C494 VanDerWaalsContact C-N 3.31Å; L492-C494 PolarHBondContact O-N 3.43Å; C494-Q497 PolarHBondContact O-N 3.03Å; C494-L498 WeakPolarHBondContact O-CB 3.15Å; C494-L498 WeakPolarHBondContact O-CD1 3.45Å; C494-L498 WeakPolarHBondContact O-CG 3.41Å; C494-L498 PolarHBondContact O-N 2.89Å |
| 495 | G | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A491 L492 Q497 L498 E499 F504 | A491-G495 PolarHBondContact O-N 2.98Å; L492-G495 PolarHBondContact O-N 2.63Å; L492-G495 VanDerWaalsContact O-N 3.1Å; G495-Q497 VanDerWaalsContact C-N 3.33Å; G495-Q497 PolarHBondContact O-N 2.83Å; G495-L498 PolarHBondContact O-N 3.12Å; G495-E499 PolarHBondContact O-N 3.16Å; G495-F504 WeakPolarHBondContact O-CE2 3.33Å |
| 496 | V | 92 | Very high | 91.6 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 176.3 | 173 | 0 | 0 | 0 | 0 | 111.3 | L492 R500 I516 I520 | L492-V496 WeakPolarHBondContact O-CG2 3.42Å; L492-V496 PolarHBondContact O-N 3.06Å; V496-R500 WeakPolarHBondContact O-CB 3.2Å; V496-R500 VanDerWaalsContact O-CG 3.31Å; V496-R500 WeakPolarHBondContact O-CG 3.26Å; V496-R500 PolarHBondContact O-N 3.05Å; V496-I516 HydrophobicContact CG2-CD1 4.09Å; V496-I516 HydrophobicContact CG2-CG1 4.13Å; V496-I520 HydrophobicContact CG1-CD1 4.4Å; V496-I520 HydrophobicContact CG1-CG1 4.36Å; V496-I520 HydrophobicContact CG2-CG1 4.09Å |
| 497 | Q | 93.2 | Very high | 91.5 | Very high | 104 Ų | 104 | 41.9 Ų | 41.9 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.2 | -38.5 | 175.7 | -71.7 | 173.1 | 24 | 0 | 0 | 112.5 | P467 N493 C494 G495 A501 | P467-Q497 HydrophobicContact CG-CB 3.78Å; N493-Q497 WeakPolarHBondContact O-CB 3.41Å; N493-Q497 VanDerWaalsContact O-CG 3.24Å; N493-Q497 WeakPolarHBondContact O-CG 3.21Å; N493-Q497 PolarHBondContact O-N 2.83Å; N493-Q497 VanDerWaalsContact O-N 3.08Å; C494-Q497 PolarHBondContact O-N 3.03Å; G495-Q497 VanDerWaalsContact C-N 3.33Å; G495-Q497 PolarHBondContact O-N 2.83Å; Q497-A501 VanDerWaalsContact O-CB 3.29Å; Q497-A501 WeakPolarHBondContact O-CB 3.13Å; Q497-A501 PolarHBondContact O-N 2.99Å |
| 498 | L | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68 | -39.7 | 177.2 | -73.5 | 164.4 | 0 | 0 | 0 | 112.5 | P467 V470 C494 G495 A501 G502 V503 F504 | P467-L498 HydrophobicContact CB-CD2 3.92Å; P467-L498 HydrophobicContact CB-CG 4.26Å; V470-L498 HydrophobicContact CB-CD1 3.91Å; V470-L498 HydrophobicContact CG1-CD1 3.43Å; V470-L498 VanDerWaalsContact CG1-CD1 3.43Å; C494-L498 WeakPolarHBondContact O-CB 3.15Å; C494-L498 WeakPolarHBondContact O-CD1 3.45Å; C494-L498 WeakPolarHBondContact O-CG 3.41Å; C494-L498 PolarHBondContact O-N 2.89Å; G495-L498 PolarHBondContact O-N 3.12Å; L498-A501 PolarHBondContact O-N 3.41Å; L498-G502 PolarHBondContact O-N 2.99Å; L498-V503 HydrophobicContact CB-CB 4.37Å; L498-V503 HydrophobicContact CD2-CB 3.94Å; L498-V503 HydrophobicContact CD2-CG1 3.93Å; L498-V503 HydrophobicContact CD2-CG2 3.94Å; L498-V503 PolarHBondContact O-N 3.2Å; L498-F504 HydrophobicContact CB-CD2 4.45Å; L498-F504 HydrophobicContact CB-CE1 4.13Å; L498-F504 HydrophobicContact CB-CE2 3.88Å; L498-F504 HydrophobicContact CB-CZ 3.69Å; L498-F504 HydrophobicContact CD1-CE1 4.12Å; L498-F504 HydrophobicContact CD1-CZ 3.91Å; L498-F504 HydrophobicContact CG-CZ 4.47Å |
| 499 | E | 93.6 | Very high | 91.9 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 174.6 | -179.9 | 65 | -175.6 | 0 | 0 | 111.2 | G495 A501 G502 F504 I516 | G495-E499 PolarHBondContact O-N 3.16Å; E499-A501 PolarHBondContact O-N 3.42Å; E499-G502 WeakPolarHBondContact O-CA 3.44Å; E499-G502 PolarHBondContact O-N 3.14Å; E499-F504 HydrophobicContact CB-CD2 4.04Å; E499-F504 HydrophobicContact CB-CE2 4.26Å; E499-F504 VanDerWaalsContact OE2-CD2 3.32Å; E499-F504 WeakPolarHBondContact OE2-CD2 3.46Å; E499-I516 HydrophobicContact CB-CD1 3.43Å; E499-I516 VanDerWaalsContact CB-CD1 3.43Å; E499-I516 HydrophobicContact CG-CD1 3.85Å; E499-I516 HydrophobicContact CG-CG2 4.09Å |
| 500 | R | 93.2 | Very high | 92.3 | Very high | 181 Ų | 181 | 54.4 Ų | 54.4 | 68% | 0.683 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.4 | -31.4 | 175.7 | -73.1 | 176.7 | -179.8 | 175.8 | 2.3 | 112.7 | V496 G502 | V496-R500 WeakPolarHBondContact O-CB 3.2Å; V496-R500 VanDerWaalsContact O-CG 3.31Å; V496-R500 WeakPolarHBondContact O-CG 3.26Å; V496-R500 PolarHBondContact O-N 3.05Å; R500-G502 VanDerWaalsContact C-N 3.26Å |
| 501 | A | 94.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 60% | 0.595 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q497 L498 E499 V503 | Q497-A501 VanDerWaalsContact O-CB 3.29Å; Q497-A501 WeakPolarHBondContact O-CB 3.13Å; Q497-A501 PolarHBondContact O-N 2.99Å; L498-A501 PolarHBondContact O-N 3.41Å; E499-A501 PolarHBondContact O-N 3.42Å; A501-V503 VanDerWaalsContact C-N 3.26Å; A501-V503 HydrophobicContact CB-CG2 3.95Å; A501-V503 PolarHBondContact O-N 3.47Å |
| 502 | G | 94.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 18.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L498 E499 R500 K506 | L498-G502 PolarHBondContact O-N 2.99Å; E499-G502 WeakPolarHBondContact O-CA 3.44Å; E499-G502 PolarHBondContact O-N 3.14Å; R500-G502 VanDerWaalsContact C-N 3.26Å; G502-K506 WeakPolarHBondContact O-CB 3.44Å; G502-K506 PolarHBondContact O-N 3.44Å |
| 503 | V | 95.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.6 | -41 | -174 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | E471 I474 L498 A501 K506 Y507 | E471-V503 HydrophobicContact CB-CG1 4.16Å; E471-V503 HydrophobicContact CG-CG1 3.82Å; E471-V503 HydrophobicContact CG-CG2 4.4Å; I474-V503 HydrophobicContact CD1-CG1 4.19Å; L498-V503 HydrophobicContact CB-CB 4.37Å; L498-V503 HydrophobicContact CD2-CB 3.94Å; L498-V503 HydrophobicContact CD2-CG1 3.93Å; L498-V503 HydrophobicContact CD2-CG2 3.94Å; L498-V503 PolarHBondContact O-N 3.2Å; A501-V503 VanDerWaalsContact C-N 3.26Å; A501-V503 HydrophobicContact CB-CG2 3.95Å; A501-V503 PolarHBondContact O-N 3.47Å; V503-K506 PolarHBondContact O-N 3.43Å; V503-Y507 HydrophobicContact CG1-CD2 3.81Å; V503-Y507 HydrophobicContact CG1-CE2 4.04Å; V503-Y507 WeakPolarHBondContact O-CD2 3.17Å; V503-Y507 PolarHBondContact O-N 3.24Å; V503-Y507 VanDerWaalsContact O-N 3.17Å |
| 504 | F | 95.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 178.9 | -64.5 | -40.3 | 0 | 0 | 0 | 111.5 | I474 V482 L484 G495 L498 E499 Y507 N508 V509 I511 | I474-F504 HydrophobicContact CD1-CD1 4.23Å; I474-F504 HydrophobicContact CD1-CE1 4.01Å; V482-F504 HydrophobicContact CG1-CD1 4.3Å; V482-F504 HydrophobicContact CG1-CE1 3.9Å; V482-F504 HydrophobicContact CG1-CZ 4.06Å; V482-F504 HydrophobicContact CG2-CE1 4.48Å; L484-F504 HydrophobicContact CD1-CE2 4.47Å; L484-F504 HydrophobicContact CD2-CZ 4.49Å; G495-F504 WeakPolarHBondContact O-CE2 3.33Å; L498-F504 HydrophobicContact CB-CD2 4.45Å; L498-F504 HydrophobicContact CB-CE1 4.13Å; L498-F504 HydrophobicContact CB-CE2 3.88Å; L498-F504 HydrophobicContact CB-CZ 3.69Å; L498-F504 HydrophobicContact CD1-CE1 4.12Å; L498-F504 HydrophobicContact CD1-CZ 3.91Å; L498-F504 HydrophobicContact CG-CZ 4.47Å; E499-F504 HydrophobicContact CB-CD2 4.04Å; E499-F504 HydrophobicContact CB-CE2 4.26Å; E499-F504 VanDerWaalsContact OE2-CD2 3.32Å; E499-F504 WeakPolarHBondContact OE2-CD2 3.46Å; F504-Y507 CarbonylContact O-C 3.56Å; F504-Y507 PolarHBondContact O-N 2.74Å; F504-N508 WeakPolarHBondContact O-CA 3.5Å; F504-N508 PolarHBondContact O-N 3.31Å; F504-V509 HydrophobicContact CB-CB 4.39Å; F504-V509 HydrophobicContact CD1-CB 4.01Å; F504-V509 HydrophobicContact CD1-CG1 4.19Å; F504-V509 PolarHBondContact O-N 2.82Å; F504-I511 HydrophobicContact CD2-CD1 3.82Å; F504-I511 HydrophobicContact CD2-CG1 4.05Å; F504-I511 HydrophobicContact CE2-CD1 3.94Å; F504-I511 HydrophobicContact CE2-CG1 4.22Å |
| 505 | S | 92.6 | Very high | 93.1 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 174.4 | -43.6 | 0 | 0 | 0 | 0 | 112.5 | Y507 N508 | S505-Y507 PolarHBondContact O-N 3.32Å; S505-N508 PolarHBondContact O-N 3.46Å |
| 506 | K | 92.6 | Very high | 93 | Very high | 131 Ų | 131 | 55.5 Ų | 55.5 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.6 | -31.7 | 177.6 | 176.4 | -175.6 | 177.2 | -170.5 | 0 | 113 | E471 G502 V503 | E471-K506 IonicContact OE1-NZ 2.96Å; E471-K506 PolarHBondContact OE1-NZ 3.41Å; G502-K506 WeakPolarHBondContact O-CB 3.44Å; G502-K506 PolarHBondContact O-N 3.44Å; V503-K506 PolarHBondContact O-N 3.43Å |
| 507 | Y | 91.3 | Very high | 92.9 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 10.3 | -177.7 | -62.3 | -56.4 | 0 | 0 | 0 | 114.5 | E471 I474 V503 F504 S505 V509 | E471-Y507 HydrophobicContact CG-CE2 3.77Å; I474-Y507 HydrophobicContact CB-CD2 4.48Å; I474-Y507 HydrophobicContact CG2-CD2 3.52Å; I474-Y507 HydrophobicContact CG2-CE2 4.39Å; I474-Y507 HydrophobicContact CG2-CG 3.71Å; V503-Y507 HydrophobicContact CG1-CD2 3.81Å; V503-Y507 HydrophobicContact CG1-CE2 4.04Å; V503-Y507 WeakPolarHBondContact O-CD2 3.17Å; V503-Y507 PolarHBondContact O-N 3.24Å; V503-Y507 VanDerWaalsContact O-N 3.17Å; F504-Y507 CarbonylContact O-C 3.56Å; F504-Y507 PolarHBondContact O-N 2.74Å; S505-Y507 PolarHBondContact O-N 3.32Å; Y507-V509 VanDerWaalsContact C-N 3.31Å; Y507-V509 PolarHBondContact O-N 2.8Å |
| 508 | N | 89.4 | Confident | 92.8 | Very high | 134 Ų | 134 | 54.7 Ų | 54.7 | 72% | 0.717 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 44.3 | -179.3 | -164.9 | 36.4 | 0 | 0 | 0 | 113.5 | F504 S505 | F504-N508 WeakPolarHBondContact O-CA 3.5Å; F504-N508 PolarHBondContact O-N 3.31Å; S505-N508 PolarHBondContact O-N 3.46Å |
| 509 | V | 93.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 119.7 | 176.5 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | I474 P479 V482 F504 Y507 | I474-V509 HydrophobicContact CG2-CG2 3.74Å; P479-V509 HydrophobicContact CG-CG1 4.48Å; P479-V509 HydrophobicContact CG-CG2 4.38Å; P479-V509 WeakPolarHBondContact O-CG2 3.33Å; V482-V509 HydrophobicContact CB-CG1 3.85Å; V482-V509 HydrophobicContact CG1-CG1 3.88Å; F504-V509 HydrophobicContact CB-CB 4.39Å; F504-V509 HydrophobicContact CD1-CB 4.01Å; F504-V509 HydrophobicContact CD1-CG1 4.19Å; F504-V509 PolarHBondContact O-N 2.82Å; Y507-V509 VanDerWaalsContact C-N 3.31Å; Y507-V509 PolarHBondContact O-N 2.8Å |
| 510 | R | 92.1 | Very high | 92.2 | Very high | 129 Ų | 129 | 53 Ų | 53 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 134.6 | 177.8 | -163 | -177.2 | -157.3 | 170.1 | 6.6 | 111 | N480 G481 V482 L512 | N480-R510 PolarHBondContact O-N 3.22Å; G481-R510 CarbonylContact C-O 3.56Å; G481-R510 WeakPolarHBondContact CA-O 3.08Å; V482-R510 PolarHBondContact N-O 3.3Å; R510-L512 HydrophobicContact CB-CD2 4.49Å; R510-L512 PolarHBondContact O-N 3.19Å |
| 511 | I | 93.5 | Very high | 92 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 124.5 | 168.5 | -55.3 | 177 | 0 | 0 | 0 | 108 | V482 L484 F504 I516 | V482-I511 HydrophobicContact CG1-CB 4.37Å; V482-I511 HydrophobicContact CG1-CG1 3.91Å; L484-I511 HydrophobicContact CD1-CD1 4.25Å; L484-I511 HydrophobicContact CD1-CG2 4.06Å; F504-I511 HydrophobicContact CD2-CD1 3.82Å; F504-I511 HydrophobicContact CD2-CG1 4.05Å; F504-I511 HydrophobicContact CE2-CD1 3.94Å; F504-I511 HydrophobicContact CE2-CG1 4.22Å; I511-I516 HydrophobicContact CD1-CB 3.6Å; I511-I516 HydrophobicContact CD1-CD1 3.84Å; I511-I516 HydrophobicContact CD1-CG1 4.23Å; I511-I516 HydrophobicContact CD1-CG2 3.77Å |
| 512 | L | 93.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 147.4 | -177.9 | -58.6 | 178.7 | 0 | 0 | 0 | 110.5 | P403 V406 V482 L483 R510 A720 | P403-L512 HydrophobicContact CG-CD1 3.93Å; V406-L512 HydrophobicContact CG1-CD1 4.11Å; V406-L512 HydrophobicContact CG2-CD1 3.63Å; V482-L512 PolarHBondContact O-N 3.02Å; L483-L512 HydrophobicContact CD2-CB 3.56Å; L483-L512 HydrophobicContact CD2-CD1 4.35Å; L483-L512 HydrophobicContact CG-CB 4.37Å; R510-L512 HydrophobicContact CB-CD2 4.49Å; R510-L512 PolarHBondContact O-N 3.19Å; L512-A720 HydrophobicContact CB-CB 4.31Å |
| 513 | G | 92.5 | Very high | 91.1 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 78 | -139.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V672 | G513-V672 CarbonylContact C-O 3.23Å; G513-V672 VanDerWaalsContact C-O 3.28Å; G513-V672 WeakPolarHBondContact CA-O 3.38Å |
| 514 | T | 92.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -53.7 | 123.4 | -178.8 | -58.5 | 0 | 0 | 0 | 0 | 111 | I519 V671 V672 A695 | T514-I519 HydrophobicContact CG2-CD1 4.36Å; T514-I519 HydrophobicContact CG2-CG1 3.9Å; T514-V671 HydrophobicContact CG2-CG1 4.42Å; T514-V672 PolarHBondContact N-O 2.81Å; T514-V672 PolarHBondContact OG1-O 2.95Å; T514-A695 HydrophobicContact CG2-CB 4.19Å |
| 515 | P | 90.8 | Very high | 89.5 | Confident | 56 Ų | 56 | 46.2 Ų | 46.2 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | trans | -56.8 | 142.1 | 176.3 | -24.3 | 33.6 | 0 | 0 | 0 | 111.6 | Q517 S518 I519 G670 | P515-Q517 PolarHBondContact O-N 3.08Å; P515-S518 WeakPolarHBondContact O-CB 3.4Å; P515-S518 PolarHBondContact O-N 2.96Å; P515-I519 PolarHBondContact O-N 2.71Å; P515-G670 WeakPolarHBondContact CD-O 3.44Å | ||
| 516 | I | 91.1 | Very high | 89 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -29.4 | 178.9 | -160.1 | 173.8 | 0 | 0 | 0 | 112.7 | L484 V496 E499 I511 I519 I520 | L484-I516 HydrophobicContact CD1-CD1 4.34Å; V496-I516 HydrophobicContact CG2-CD1 4.09Å; V496-I516 HydrophobicContact CG2-CG1 4.13Å; E499-I516 HydrophobicContact CB-CD1 3.43Å; E499-I516 VanDerWaalsContact CB-CD1 3.43Å; E499-I516 HydrophobicContact CG-CD1 3.85Å; E499-I516 HydrophobicContact CG-CG2 4.09Å; I511-I516 HydrophobicContact CD1-CB 3.6Å; I511-I516 HydrophobicContact CD1-CD1 3.84Å; I511-I516 HydrophobicContact CD1-CG1 4.23Å; I511-I516 HydrophobicContact CD1-CG2 3.77Å; I516-I519 WeakPolarHBondContact O-CB 3.5Å; I516-I519 PolarHBondContact O-N 3.26Å; I516-I520 HydrophobicContact CG1-CD1 4.39Å; I516-I520 VanDerWaalsContact O-CG1 3.3Å; I516-I520 WeakPolarHBondContact O-CG1 3.11Å; I516-I520 PolarHBondContact O-N 3.06Å |
| 517 | Q | 90.6 | Very high | 88.8 | Confident | 100 Ų | 100 | 43.8 Ų | 43.8 | 47% | 0.467 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.4 | -174.9 | 57.3 | 35.4 | 0 | 0 | 111.2 | P515 I519 I520 E521 | P515-Q517 PolarHBondContact O-N 3.08Å; Q517-I519 VanDerWaalsContact C-N 3.32Å; Q517-I519 PolarHBondContact O-N 2.72Å; Q517-I520 PolarHBondContact O-N 3.41Å; Q517-E521 VanDerWaalsContact CG-OE1 3.3Å; Q517-E521 WeakPolarHBondContact CG-OE1 3.33Å; Q517-E521 PolarHBondContact NE2-OE1 2.91Å; Q517-E521 WeakPolarHBondContact O-CB 3.5Å; Q517-E521 VanDerWaalsContact O-CG 3.3Å; Q517-E521 WeakPolarHBondContact O-CG 3.3Å; Q517-E521 PolarHBondContact O-N 3.47Å |
| 518 | S | 90.9 | Very high | 88.7 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 174.4 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | P515 E521 T522 F669 | P515-S518 WeakPolarHBondContact O-CB 3.4Å; P515-S518 PolarHBondContact O-N 2.96Å; S518-E521 PolarHBondContact O-N 2.86Å; S518-T522 WeakPolarHBondContact O-CG2 3.34Å; S518-T522 PolarHBondContact O-N 3.48Å; S518-T522 PolarHBondContact O-OG1 3.21Å; S518-T522 VanDerWaalsContact O-OG1 3.09Å; S518-F669 WeakPolarHBondContact CB-O 3.17Å; S518-F669 PolarHBondContact OG-O 3.11Å |
| 519 | I | 88.1 | Confident | 88.6 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.3 | -68.8 | 159.4 | 0 | 0 | 0 | 110.9 | T485 L492 T514 P515 I516 Q517 E521 T522 E523 | T485-I519 HydrophobicContact CG2-CD1 4.3Å; L492-I519 HydrophobicContact CD1-CG2 3.9Å; L492-I519 HydrophobicContact CD2-CD1 3.8Å; L492-I519 HydrophobicContact CD2-CG1 4.37Å; L492-I519 HydrophobicContact CD2-CG2 4.02Å; L492-I519 HydrophobicContact CG-CG2 4.42Å; T514-I519 HydrophobicContact CG2-CD1 4.36Å; T514-I519 HydrophobicContact CG2-CG1 3.9Å; P515-I519 PolarHBondContact O-N 2.71Å; I516-I519 WeakPolarHBondContact O-CB 3.5Å; I516-I519 PolarHBondContact O-N 3.26Å; Q517-I519 VanDerWaalsContact C-N 3.32Å; Q517-I519 PolarHBondContact O-N 2.72Å; I519-E521 VanDerWaalsContact C-N 3.34Å; I519-E521 PolarHBondContact O-N 3.12Å; I519-T522 PolarHBondContact O-N 3.24Å; I519-T522 PolarHBondContact O-OG1 2.73Å; I519-T522 VanDerWaalsContact O-OG1 3.12Å; I519-E523 HydrophobicContact CG2-CG 4.28Å; I519-E523 WeakPolarHBondContact O-CB 3.46Å; I519-E523 WeakPolarHBondContact O-CG 3.36Å; I519-E523 PolarHBondContact O-N 2.79Å |
| 520 | I | 88 | Confident | 88.4 | Confident | 32 Ų | 32 | 39.9 Ų | 39.9 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 178.7 | -68.4 | 164.1 | 0 | 0 | 0 | 110.7 | V496 I516 Q517 E523 D524 L527 | V496-I520 HydrophobicContact CG1-CD1 4.4Å; V496-I520 HydrophobicContact CG1-CG1 4.36Å; V496-I520 HydrophobicContact CG2-CG1 4.09Å; I516-I520 HydrophobicContact CG1-CD1 4.39Å; I516-I520 VanDerWaalsContact O-CG1 3.3Å; I516-I520 WeakPolarHBondContact O-CG1 3.11Å; I516-I520 PolarHBondContact O-N 3.06Å; Q517-I520 PolarHBondContact O-N 3.41Å; I520-E523 PolarHBondContact O-N 3.05Å; I520-D524 VanDerWaalsContact O-CB 3.31Å; I520-D524 WeakPolarHBondContact O-CB 3.42Å; I520-D524 PolarHBondContact O-N 3.41Å; I520-L527 HydrophobicContact CG2-CD1 4.18Å |
| 521 | E | 90.5 | Very high | 88.5 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66 | -34.3 | -179.9 | -74.4 | 173.2 | -163.7 | 0 | 0 | 113.2 | Q517 S518 I519 F528 R531 F669 | Q517-E521 VanDerWaalsContact CG-OE1 3.3Å; Q517-E521 WeakPolarHBondContact CG-OE1 3.33Å; Q517-E521 PolarHBondContact NE2-OE1 2.91Å; Q517-E521 WeakPolarHBondContact O-CB 3.5Å; Q517-E521 VanDerWaalsContact O-CG 3.3Å; Q517-E521 WeakPolarHBondContact O-CG 3.3Å; Q517-E521 PolarHBondContact O-N 3.47Å; S518-E521 PolarHBondContact O-N 2.86Å; I519-E521 VanDerWaalsContact C-N 3.34Å; I519-E521 PolarHBondContact O-N 3.12Å; E521-F528 VanDerWaalsContact O-CA 3.26Å; E521-F528 WeakPolarHBondContact O-CA 3.29Å; E521-F528 WeakPolarHBondContact O-CB 3.5Å; E521-F528 PolarHBondContact O-N 3.32Å; E521-F528 VanDerWaalsContact O-N 3.11Å; E521-R531 HydrophobicContact CG-CG 4.44Å; E521-R531 IonicContact OE2-CZ 2.83Å; E521-R531 IonicContact OE2-NE 3.46Å; E521-R531 PolarHBondContact OE2-NE 2.83Å; E521-R531 IonicContact OE2-NH2 2.76Å; E521-F669 HydrophobicContact CB-CD1 4.07Å; E521-F669 HydrophobicContact CB-CE1 3.93Å |
| 522 | T | 88.6 | Confident | 88.5 | Confident | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -81.1 | -30.7 | 177.7 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | S518 I519 F669 V693 A695 | S518-T522 WeakPolarHBondContact O-CG2 3.34Å; S518-T522 PolarHBondContact O-N 3.48Å; S518-T522 PolarHBondContact O-OG1 3.21Å; S518-T522 VanDerWaalsContact O-OG1 3.09Å; I519-T522 PolarHBondContact O-N 3.24Å; I519-T522 PolarHBondContact O-OG1 2.73Å; I519-T522 VanDerWaalsContact O-OG1 3.12Å; T522-F669 HydrophobicContact CG2-CB 4.47Å; T522-F669 HydrophobicContact CG2-CD1 3.67Å; T522-F669 HydrophobicContact CG2-CD2 4.09Å; T522-F669 HydrophobicContact CG2-CE1 3.83Å; T522-F669 HydrophobicContact CG2-CE2 4.23Å; T522-F669 HydrophobicContact CG2-CG 3.82Å; T522-F669 HydrophobicContact CG2-CZ 4.12Å; T522-V693 WeakPolarHBondContact CB-O 3.41Å; T522-V693 HydrophobicContact CG2-CB 4.16Å; T522-V693 HydrophobicContact CG2-CG1 3.96Å; T522-A695 HydrophobicContact CG2-CB 4.15Å |
| 523 | E | 80.7 | Confident | 88.4 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 16% | 0.164 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -83.4 | -33.7 | -178.9 | -69.1 | -86.7 | 160.4 | 0 | 0 | 112.7 | Q489 I519 I520 R525 F568 | Q489-E523 PolarHBondContact NE2-OE2 2.66Å; Q489-E523 PolarHBondContact OE1-OE1 3.22Å; Q489-E523 PolarHBondContact OE1-OE2 2.93Å; I519-E523 HydrophobicContact CG2-CG 4.28Å; I519-E523 WeakPolarHBondContact O-CB 3.46Å; I519-E523 WeakPolarHBondContact O-CG 3.36Å; I519-E523 PolarHBondContact O-N 2.79Å; I520-E523 PolarHBondContact O-N 3.05Å; E523-R525 PolarHBondContact O-N 3.08Å; E523-F568 HydrophobicContact CB-CE1 4.39Å |
| 524 | D | 80.4 | Confident | 88.5 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -79.7 | 111.9 | 173.7 | -174 | -55.5 | 0 | 0 | 0 | 109.9 | I520 K526 L527 F528 F568 | I520-D524 VanDerWaalsContact O-CB 3.31Å; I520-D524 WeakPolarHBondContact O-CB 3.42Å; I520-D524 PolarHBondContact O-N 3.41Å; D524-K526 VanDerWaalsContact C-N 3.27Å; D524-K526 PolarHBondContact O-N 2.88Å; D524-K526 WeakPolarHBondContact OD1-CB 3.49Å; D524-K526 PolarHBondContact OD1-N 2.92Å; D524-L527 HydrophobicContact CB-CB 4.07Å; D524-L527 HydrophobicContact CB-CD1 3.93Å; D524-L527 HydrophobicContact CB-CG 4.09Å; D524-L527 PolarHBondContact O-N 3.3Å; D524-L527 PolarHBondContact OD1-N 3.16Å; D524-L527 VanDerWaalsContact OD1-N 3.12Å; D524-F528 VanDerWaalsContact O-CB 3.26Å; D524-F528 WeakPolarHBondContact O-CB 3.45Å; D524-F528 PolarHBondContact O-N 3.34Å; D524-F568 HydrophobicContact CB-CZ 4.09Å |
| 525 | R | 76.8 | Confident | 88.6 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 17% | 0.174 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.5 | -34.4 | -175.7 | -76.3 | -62.4 | -162.6 | -170.2 | -4.5 | 114.5 | E523 A529 I599 I691 E692 | E523-R525 PolarHBondContact O-N 3.08Å; R525-A529 WeakPolarHBondContact O-CB 3.43Å; R525-A529 PolarHBondContact O-N 3.45Å; R525-I599 HydrophobicContact CB-CD1 4.27Å; R525-I599 HydrophobicContact CB-CG1 4.18Å; R525-I599 HydrophobicContact CG-CG1 4.22Å; R525-I691 PolarHBondContact NH1-O 2.76Å; R525-I691 PolarHBondContact NH2-O 3.14Å; R525-E692 IonicContact NH2-OE2 3.97Å; R525-E692 PolarHBondContact NH2-OE2 2.9Å |
| 526 | K | 82 | Confident | 88.7 | Confident | 118 Ų | 118 | 45.3 Ų | 45.3 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -72.4 | -49 | -179.6 | 179.5 | -178.8 | 169.7 | -177.9 | 0 | 109.7 | D524 F528 A529 E530 | D524-K526 VanDerWaalsContact C-N 3.27Å; D524-K526 PolarHBondContact O-N 2.88Å; D524-K526 WeakPolarHBondContact OD1-CB 3.49Å; D524-K526 PolarHBondContact OD1-N 2.92Å; K526-F528 VanDerWaalsContact C-N 3.28Å; K526-F528 PolarHBondContact O-N 3.48Å; K526-A529 PolarHBondContact O-N 3.32Å; K526-E530 WeakPolarHBondContact CE-OE1 3.37Å; K526-E530 IonicContact NZ-OE1 2.75Å; K526-E530 WeakPolarHBondContact O-CB 3.38Å; K526-E530 WeakPolarHBondContact O-CG 3.29Å; K526-E530 PolarHBondContact O-N 3.23Å |
| 527 | L | 87 | Confident | 88.8 | Confident | 55 Ų | 55 | 45.2 Ų | 45.2 | 29% | 0.288 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.2 | -64.6 | 178.2 | 0 | 0 | 0 | 110.7 | I520 D524 A529 E530 R531 | I520-L527 HydrophobicContact CG2-CD1 4.18Å; D524-L527 HydrophobicContact CB-CB 4.07Å; D524-L527 HydrophobicContact CB-CD1 3.93Å; D524-L527 HydrophobicContact CB-CG 4.09Å; D524-L527 PolarHBondContact O-N 3.3Å; D524-L527 PolarHBondContact OD1-N 3.16Å; D524-L527 VanDerWaalsContact OD1-N 3.12Å; L527-A529 PolarHBondContact O-N 3.17Å; L527-E530 PolarHBondContact O-N 3.19Å; L527-R531 WeakPolarHBondContact O-CB 3.13Å; L527-R531 WeakPolarHBondContact O-CG 3.4Å; L527-R531 PolarHBondContact O-N 2.89Å |
| 528 | F | 89.5 | Confident | 88.8 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.6 | -51.9 | 176.1 | 177.9 | -107.5 | 0 | 0 | 0 | 111.7 | E521 D524 K526 E530 R531 V532 V539 F669 I690 V693 | E521-F528 VanDerWaalsContact O-CA 3.26Å; E521-F528 WeakPolarHBondContact O-CA 3.29Å; E521-F528 WeakPolarHBondContact O-CB 3.5Å; E521-F528 PolarHBondContact O-N 3.32Å; E521-F528 VanDerWaalsContact O-N 3.11Å; D524-F528 VanDerWaalsContact O-CB 3.26Å; D524-F528 WeakPolarHBondContact O-CB 3.45Å; D524-F528 PolarHBondContact O-N 3.34Å; K526-F528 VanDerWaalsContact C-N 3.28Å; K526-F528 PolarHBondContact O-N 3.48Å; F528-E530 PolarHBondContact O-N 3.08Å; F528-R531 PolarHBondContact O-N 3.07Å; F528-V532 HydrophobicContact CD2-CG2 4.1Å; F528-V532 HydrophobicContact CE1-CG2 4.22Å; F528-V532 HydrophobicContact CE2-CG2 3.75Å; F528-V532 HydrophobicContact CG-CG2 4.46Å; F528-V532 HydrophobicContact CZ-CG2 3.83Å; F528-V532 WeakPolarHBondContact O-CB 3.15Å; F528-V532 WeakPolarHBondContact O-CG2 3.45Å; F528-V532 PolarHBondContact O-N 3.5Å; F528-V539 HydrophobicContact CD1-CG1 3.91Å; F528-V539 HydrophobicContact CE1-CG1 3.5Å; F528-V539 HydrophobicContact CZ-CG1 4.35Å; F528-F669 HydrophobicContact CD2-CE1 4.37Å; F528-F669 HydrophobicContact CD2-CE2 4.04Å; F528-F669 AromaticContact CD2-CZ 3.5Å; F528-F669 HydrophobicContact CD2-CZ 3.5Å; F528-F669 AromaticContact CE2-CE2 3.88Å; F528-F669 HydrophobicContact CE2-CE2 3.88Å; F528-F669 AromaticContact CE2-CZ 3.84Å; F528-F669 HydrophobicContact CE2-CZ 3.84Å; F528-I690 HydrophobicContact CE1-CG2 4.36Å; F528-I690 HydrophobicContact CZ-CG2 3.7Å; F528-V693 HydrophobicContact CE2-CB 3.88Å; F528-V693 HydrophobicContact CE2-CG2 3.66Å; F528-V693 HydrophobicContact CZ-CG2 4.05Å |
| 529 | A | 87.6 | Confident | 88.7 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R525 K526 L527 N533 V539 | R525-A529 WeakPolarHBondContact O-CB 3.43Å; R525-A529 PolarHBondContact O-N 3.45Å; K526-A529 PolarHBondContact O-N 3.32Å; L527-A529 PolarHBondContact O-N 3.17Å; A529-N533 VanDerWaalsContact O-CB 3.28Å; A529-N533 WeakPolarHBondContact O-CB 2.94Å; A529-N533 PolarHBondContact O-N 3.21Å; A529-N533 PolarHBondContact O-ND2 3.46Å; A529-V539 HydrophobicContact CB-CG2 3.68Å |
| 530 | E | 90.9 | Very high | 88.6 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 41% | 0.407 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.9 | -49.3 | 177 | -72.8 | 171.9 | 177.9 | 0 | 0 | 111.2 | K526 L527 F528 V532 N533 E534 | K526-E530 WeakPolarHBondContact CE-OE1 3.37Å; K526-E530 IonicContact NZ-OE1 2.75Å; K526-E530 WeakPolarHBondContact O-CB 3.38Å; K526-E530 WeakPolarHBondContact O-CG 3.29Å; K526-E530 PolarHBondContact O-N 3.23Å; L527-E530 PolarHBondContact O-N 3.19Å; F528-E530 PolarHBondContact O-N 3.08Å; E530-V532 PolarHBondContact O-N 2.91Å; E530-N533 PolarHBondContact O-N 3.32Å; E530-E534 WeakPolarHBondContact O-CG 3.36Å; E530-E534 PolarHBondContact O-N 2.98Å |
| 531 | R | 92.8 | Very high | 88.5 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 22% | 0.223 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -37.2 | -178.7 | -64.1 | -69.6 | -75.5 | 145.7 | 4.4 | 112.4 | E521 L527 F528 E534 H668 F669 | E521-R531 HydrophobicContact CG-CG 4.44Å; E521-R531 IonicContact OE2-CZ 2.83Å; E521-R531 IonicContact OE2-NE 3.46Å; E521-R531 PolarHBondContact OE2-NE 2.83Å; E521-R531 IonicContact OE2-NH2 2.76Å; L527-R531 WeakPolarHBondContact O-CB 3.13Å; L527-R531 WeakPolarHBondContact O-CG 3.4Å; L527-R531 PolarHBondContact O-N 2.89Å; F528-R531 PolarHBondContact O-N 3.07Å; R531-E534 IonicContact CZ-OE2 3.85Å; R531-E534 IonicContact NE-OE2 2.8Å; R531-E534 IonicContact NH1-OE1 2.76Å; R531-E534 IonicContact NH1-OE2 2.77Å; R531-E534 PolarHBondContact NH1-OE2 2.76Å; R531-H668 PolarHBondContact NH1-CE1 2.98Å; R531-H668 PolarHBondContact NH1-NE2 3.03Å; R531-H668 PolarHBondContact NH2-O 3.37Å; R531-H668 PolarHBondContact O-CD2 2.91Å; R531-H668 PolarHBondContact O-NE2 3.5Å; R531-F669 HydrophobicContact CB-CE1 3.67Å; R531-F669 HydrophobicContact CB-CZ 3.89Å; R531-F669 HydrophobicContact CG-CE1 4.2Å |
| 532 | V | 93.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 111 | F528 E530 E534 I535 E537 V539 F669 I690 | F528-V532 HydrophobicContact CD2-CG2 4.1Å; F528-V532 HydrophobicContact CE1-CG2 4.22Å; F528-V532 HydrophobicContact CE2-CG2 3.75Å; F528-V532 HydrophobicContact CG-CG2 4.46Å; F528-V532 HydrophobicContact CZ-CG2 3.83Å; F528-V532 WeakPolarHBondContact O-CB 3.15Å; F528-V532 WeakPolarHBondContact O-CG2 3.45Å; F528-V532 PolarHBondContact O-N 3.5Å; E530-V532 PolarHBondContact O-N 2.91Å; V532-E534 VanDerWaalsContact C-N 3.33Å; V532-E534 PolarHBondContact O-N 2.84Å; V532-I535 WeakPolarHBondContact O-CG1 3.39Å; V532-I535 PolarHBondContact O-N 3.35Å; V532-E537 HydrophobicContact CG1-CB 3.53Å; V532-E537 PolarHBondContact O-N 3.2Å; V532-V539 HydrophobicContact CB-CG1 4.01Å; V532-V539 HydrophobicContact CG1-CG1 3.84Å; V532-V539 HydrophobicContact CG2-CG1 4.23Å; V532-F669 HydrophobicContact CG2-CE2 4.05Å; V532-F669 HydrophobicContact CG2-CZ 4.04Å; V532-I690 HydrophobicContact CG1-CD1 3.71Å |
| 533 | N | 92.4 | Very high | 88.1 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.9 | -32.2 | 178.2 | -74.3 | -33.5 | 0 | 0 | 0 | 112.9 | A529 E530 I535 G536 E537 | A529-N533 VanDerWaalsContact O-CB 3.28Å; A529-N533 WeakPolarHBondContact O-CB 2.94Å; A529-N533 PolarHBondContact O-N 3.21Å; A529-N533 PolarHBondContact O-ND2 3.46Å; E530-N533 PolarHBondContact O-N 3.32Å; N533-I535 PolarHBondContact O-N 3.13Å; N533-G536 PolarHBondContact O-N 3.45Å; N533-E537 PolarHBondContact OD1-O 2.69Å |
| 534 | E | 94.3 | Very high | 88.3 | Confident | 119 Ų | 119 | 50.8 Ų | 50.8 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -56.8 | -28.8 | 176.9 | -78.6 | 170.1 | -174.8 | 0 | 0 | 113.6 | E530 R531 V532 H668 | E530-E534 WeakPolarHBondContact O-CG 3.36Å; E530-E534 PolarHBondContact O-N 2.98Å; R531-E534 IonicContact CZ-OE2 3.85Å; R531-E534 IonicContact NE-OE2 2.8Å; R531-E534 IonicContact NH1-OE1 2.76Å; R531-E534 IonicContact NH1-OE2 2.77Å; R531-E534 PolarHBondContact NH1-OE2 2.76Å; V532-E534 VanDerWaalsContact C-N 3.33Å; V532-E534 PolarHBondContact O-N 2.84Å; E534-H668 IonicContact OE2-CE1 3.6Å; E534-H668 PolarHBondContact OE2-CE1 2.88Å; E534-H668 IonicContact OE2-NE2 3.86Å; E534-H668 PolarHBondContact OE2-NE2 2.77Å; E534-H668 VanDerWaalsContact OE2-NE2 3.13Å |
| 535 | I | 93.7 | Very high | 88.7 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 18% | 0.179 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.8 | 178.2 | 57.3 | 166.6 | 0 | 0 | 0 | 113.1 | V532 N533 E537 K664 V665 H668 | V532-I535 WeakPolarHBondContact O-CG1 3.39Å; V532-I535 PolarHBondContact O-N 3.35Å; N533-I535 PolarHBondContact O-N 3.13Å; I535-E537 VanDerWaalsContact C-N 3.28Å; I535-E537 HydrophobicContact CD1-CB 4.39Å; I535-E537 HydrophobicContact CD1-CG 3.78Å; I535-E537 HydrophobicContact CG1-CB 4.23Å; I535-E537 HydrophobicContact CG1-CG 3.9Å; I535-E537 PolarHBondContact O-N 3.49Å; I535-K664 HydrophobicContact CD1-CG 4.2Å; I535-K664 WeakPolarHBondContact O-CE 3.47Å; I535-K664 PolarHBondContact O-NZ 3.07Å; I535-V665 HydrophobicContact CD1-CB 4.49Å; I535-V665 HydrophobicContact CD1-CG2 3.96Å; I535-H668 HydrophobicContact CD1-CB 4.06Å; I535-H668 HydrophobicContact CG2-CB 4.04Å; I535-H668 VanDerWaalsContact CG2-CG 3.5Å; I535-H668 WeakPolarHBondContact CG2-ND1 3.49Å |
| 536 | G | 92.9 | Very high | 89.2 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 63% | 0.629 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 14.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | N533 | N533-G536 PolarHBondContact O-N 3.45Š|
| 537 | E | 94.4 | Very high | 89.6 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | trans | -89 | 162.5 | 173 | -64.2 | -55.7 | 147.5 | 0 | 0 | 110.6 | V532 N533 I535 T661 K664 V665 Y688 I690 | V532-E537 HydrophobicContact CG1-CB 3.53Å; V532-E537 PolarHBondContact O-N 3.2Å; N533-E537 PolarHBondContact OD1-O 2.69Å; I535-E537 VanDerWaalsContact C-N 3.28Å; I535-E537 HydrophobicContact CD1-CB 4.39Å; I535-E537 HydrophobicContact CD1-CG 3.78Å; I535-E537 HydrophobicContact CG1-CB 4.23Å; I535-E537 HydrophobicContact CG1-CG 3.9Å; I535-E537 PolarHBondContact O-N 3.49Å; E537-T661 HydrophobicContact CG-CG2 4.34Å; E537-T661 WeakPolarHBondContact OE2-CG2 3.33Å; E537-K664 HydrophobicContact CG-CD 4.41Å; E537-K664 WeakPolarHBondContact OE1-CD 3.36Å; E537-K664 WeakPolarHBondContact OE1-CE 3.27Å; E537-K664 IonicContact OE1-NZ 3.33Å; E537-K664 PolarHBondContact OE1-NZ 2.81Å; E537-V665 HydrophobicContact CG-CG2 4.11Å; E537-Y688 PolarHBondContact OE2-OH 3.1Å; E537-I690 HydrophobicContact CB-CD1 3.91Å; E537-I690 HydrophobicContact CG-CD1 4.48Å | ||
| 538 | Q | 89.6 | Confident | 89.7 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | trans | -119.1 | 133.5 | -172.4 | -60 | -173.6 | -1.8 | 0 | 0 | 112.6 | Y689 I690 | Q538-Y689 HydrophobicContact CB-CD1 3.83Å; Q538-Y689 HydrophobicContact CB-CE1 3.97Å; Q538-I690 PolarHBondContact O-N 3.44Å | ||
| 539 | V | 90.3 | Very high | 89.8 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -100.7 | 161.6 | 162 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | F528 A529 V532 Y689 | F528-V539 HydrophobicContact CD1-CG1 3.91Å; F528-V539 HydrophobicContact CE1-CG1 3.5Å; F528-V539 HydrophobicContact CZ-CG1 4.35Å; A529-V539 HydrophobicContact CB-CG2 3.68Å; V532-V539 HydrophobicContact CB-CG1 4.01Å; V532-V539 HydrophobicContact CG1-CG1 3.84Å; V532-V539 HydrophobicContact CG2-CG1 4.23Å; V539-Y689 VanDerWaalsContact O-CD1 3.31Å; V539-Y689 WeakPolarHBondContact O-CD1 3.49Å |
| 540 | A | 85.3 | Confident | 90 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 12% | 0.116 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 135.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S542 L604 | A540-S542 PolarHBondContact O-N 3.39Å; A540-S542 VanDerWaalsContact O-N 3.16Å; A540-S542 PolarHBondContact O-OG 2.52Å; A540-L604 HydrophobicContact CB-CD1 3.9Å; A540-L604 HydrophobicContact CB-CG 4.48Å |
| 541 | P | 85.3 | Confident | 90 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -53 | 123.7 | 174.6 | -26.3 | 34.2 | 0 | 0 | 0 | 110.4 | L558 D601 K602 | P541-L558 HydrophobicContact CB-CD2 3.92Å; P541-D601 WeakPolarHBondContact O-CA 3.4Å; P541-K602 HydrophobicContact CB-CB 4.25Å; P541-K602 HydrophobicContact CG-CB 4.5Å; P541-K602 HydrophobicContact CG-CD 4.37Å; P541-K602 PolarHBondContact O-N 2.91Å |
| 542 | S | 85.5 | Confident | 90.1 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 153.5 | -171.1 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | A540 V600 D601 | A540-S542 PolarHBondContact O-N 3.39Å; A540-S542 VanDerWaalsContact O-N 3.16Å; A540-S542 PolarHBondContact O-OG 2.52Å; S542-V600 CarbonylContact C-O 3.55Å; S542-V600 VanDerWaalsContact CA-O 3.23Å; S542-V600 WeakPolarHBondContact CA-O 3.3Å; S542-D601 WeakPolarHBondContact CB-OD1 3.27Å |
| 543 | E | 86 | Confident | 90.1 | Very high | 55 Ų | 55 | 54.1 Ų | 54.1 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.4 | 175.5 | -70.1 | -170.8 | -143.6 | 0 | 0 | 110.8 | A554 R557 V600 | E543-A554 HydrophobicContact CB-CB 3.84Å; E543-A554 HydrophobicContact CG-CB 4.39Å; E543-R557 IonicContact OE1-CZ 2.71Å; E543-R557 IonicContact OE1-NE 3.69Å; E543-R557 PolarHBondContact OE1-NE 2.82Å; E543-R557 IonicContact OE1-NH2 3.27Å; E543-R557 IonicContact OE2-CZ 2.66Å; E543-R557 IonicContact OE2-NE 3.68Å; E543-R557 PolarHBondContact OE2-NE 3.38Å; E543-R557 IonicContact OE2-NH2 3Å; E543-R557 PolarHBondContact OE2-NH2 3.17Å; E543-V600 PolarHBondContact N-O 3.18Å; E543-V600 PolarHBondContact O-N 3.48Å |
| 544 | A | 84.5 | Confident | 90 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q597 I599 | A544-Q597 HydrophobicContact CB-CG 4.5Å; A544-I599 HydrophobicContact CB-CD1 3.54Å |
| 545 | V | 88.2 | Confident | 89.9 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.9 | -175.3 | -56.5 | 0 | 0 | 0 | 0 | 111 | Q550 A551 A554 L598 V600 | V545-Q550 HydrophobicContact CB-CB 3.74Å; V545-Q550 HydrophobicContact CG1-CB 3.96Å; V545-Q550 WeakPolarHBondContact CG1-O 3.44Å; V545-A551 HydrophobicContact CG2-CB 3.77Å; V545-A554 HydrophobicContact CG1-CB 3.79Å; V545-L598 HydrophobicContact CG2-CB 3.79Å; V545-L598 HydrophobicContact CG2-CD2 3.92Å; V545-L598 HydrophobicContact CG2-CG 4.02Å; V545-L598 WeakPolarHBondContact CG2-O 3.26Å; V545-L598 PolarHBondContact N-O 3.03Å; V545-L598 PolarHBondContact O-N 2.8Å; V545-L598 VanDerWaalsContact O-O 3.07Å; V545-V600 HydrophobicContact CG1-CG2 4.47Å; V545-V600 HydrophobicContact CG2-CG2 3.98Å |
| 546 | Y | 88.9 | Confident | 89.7 | Confident | 137 Ų | 137 | 46.4 Ų | 46.4 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -121.3 | -0.1 | -174.3 | -58.8 | -87.6 | 0 | 0 | 0 | 113 | S596 Q597 | Y546-S596 WeakPolarHBondContact CD1-O 3.36Å; Y546-Q597 HydrophobicContact CD1-CB 4.4Å; Y546-Q597 HydrophobicContact CE1-CB 4.13Å; Y546-Q597 HydrophobicContact CE1-CG 4.03Å; Y546-Q597 PolarHBondContact OH-NE2 2.93Å |
| 547 | S | 89.9 | Confident | 89.7 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -148.7 | 158.2 | 177.5 | 65.7 | 0 | 0 | 0 | 0 | 110 | A549 Q550 A551 | S547-A549 VanDerWaalsContact C-N 3.27Å; S547-A549 PolarHBondContact O-N 2.97Å; S547-Q550 PolarHBondContact O-N 3.12Å; S547-Q550 WeakPolarHBondContact OG-CG 3.19Å; S547-Q550 PolarHBondContact OG-N 3.08Å; S547-A551 PolarHBondContact O-N 3.2Å |
| 548 | V | 88.3 | Confident | 89.4 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 22% | 0.218 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.9 | -42.3 | 176 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | Q550 A551 L552 Q585 A588 Q589 L592 | V548-Q550 PolarHBondContact O-N 3.01Å; V548-A551 VanDerWaalsContact O-CB 3.32Å; V548-A551 WeakPolarHBondContact O-CB 3.32Å; V548-A551 PolarHBondContact O-N 2.87Å; V548-A551 VanDerWaalsContact O-N 3.09Å; V548-L552 WeakPolarHBondContact O-CG 3.39Å; V548-L552 PolarHBondContact O-N 2.97Å; V548-L552 VanDerWaalsContact O-N 3.08Å; V548-Q585 HydrophobicContact CG1-CB 4.48Å; V548-Q585 HydrophobicContact CG1-CG 3.88Å; V548-A588 HydrophobicContact CG1-CB 4.42Å; V548-A588 HydrophobicContact CG2-CB 4.21Å; V548-Q589 HydrophobicContact CG2-CG 3.77Å; V548-L592 HydrophobicContact CG2-CD1 4.15Å |
| 549 | A | 91.2 | Very high | 89.4 | Confident | 72 Ų | 72 | 47.4 Ų | 47.4 | 60% | 0.595 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S547 A551 L552 D553 | S547-A549 VanDerWaalsContact C-N 3.27Å; S547-A549 PolarHBondContact O-N 2.97Å; A549-A551 VanDerWaalsContact C-N 3.32Å; A549-L552 PolarHBondContact O-N 2.66Å; A549-D553 WeakPolarHBondContact O-CB 3.38Å; A549-D553 PolarHBondContact O-N 3.04Å; A549-D553 VanDerWaalsContact O-N 3.14Å |
| 550 | Q | 93.2 | Very high | 89.4 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 174.3 | -74.1 | 173.5 | -7.6 | 0 | 0 | 111.9 | V545 S547 V548 D553 A554 | V545-Q550 HydrophobicContact CB-CB 3.74Å; V545-Q550 HydrophobicContact CG1-CB 3.96Å; V545-Q550 WeakPolarHBondContact CG1-O 3.44Å; S547-Q550 PolarHBondContact O-N 3.12Å; S547-Q550 WeakPolarHBondContact OG-CG 3.19Å; S547-Q550 PolarHBondContact OG-N 3.08Å; V548-Q550 PolarHBondContact O-N 3.01Å; Q550-D553 PolarHBondContact O-N 3.16Å; Q550-A554 WeakPolarHBondContact O-CB 3.24Å; Q550-A554 PolarHBondContact O-N 3.44Å |
| 551 | A | 90.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V545 S547 V548 A549 A554 A555 L584 A588 L598 V600 | V545-A551 HydrophobicContact CG2-CB 3.77Å; S547-A551 PolarHBondContact O-N 3.2Å; V548-A551 VanDerWaalsContact O-CB 3.32Å; V548-A551 WeakPolarHBondContact O-CB 3.32Å; V548-A551 PolarHBondContact O-N 2.87Å; V548-A551 VanDerWaalsContact O-N 3.09Å; A549-A551 VanDerWaalsContact C-N 3.32Å; A551-A554 PolarHBondContact O-N 3.23Å; A551-A555 PolarHBondContact O-N 3.16Å; A551-L584 WeakPolarHBondContact O-CD2 3.4Å; A551-A588 HydrophobicContact CB-CB 3.98Å; A551-L598 HydrophobicContact CB-CD2 3.97Å; A551-V600 HydrophobicContact CB-CG2 4.17Å |
| 552 | L | 94.3 | Very high | 90 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.6 | -59 | -179.3 | 0 | 0 | 0 | 111.4 | V548 A549 A555 S556 E581 L584 Q585 | V548-L552 WeakPolarHBondContact O-CG 3.39Å; V548-L552 PolarHBondContact O-N 2.97Å; V548-L552 VanDerWaalsContact O-N 3.08Å; A549-L552 PolarHBondContact O-N 2.66Å; L552-A555 PolarHBondContact O-N 3.47Å; L552-S556 PolarHBondContact O-N 2.87Å; L552-S556 PolarHBondContact O-OG 2.85Å; L552-E581 HydrophobicContact CB-CG 4.48Å; L552-E581 HydrophobicContact CD1-CG 4.04Å; L552-E581 HydrophobicContact CD2-CG 3.61Å; L552-E581 HydrophobicContact CG-CG 4.21Å; L552-L584 HydrophobicContact CD2-CB 4.04Å; L552-L584 HydrophobicContact CD2-CD2 3.89Å; L552-L584 HydrophobicContact CD2-CG 3.97Å; L552-Q585 HydrophobicContact CD2-CB 4.39Å |
| 553 | D | 93.1 | Very high | 90.1 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 43% | 0.428 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 178 | -179.4 | 49.6 | 0 | 0 | 0 | 112.6 | A549 Q550 S556 R557 | A549-D553 WeakPolarHBondContact O-CB 3.38Å; A549-D553 PolarHBondContact O-N 3.04Å; A549-D553 VanDerWaalsContact O-N 3.14Å; Q550-D553 PolarHBondContact O-N 3.16Å; D553-S556 VanDerWaalsContact C-OG 3.29Å; D553-S556 VanDerWaalsContact CA-OG 3.28Å; D553-S556 WeakPolarHBondContact CA-OG 3.45Å; D553-S556 PolarHBondContact O-N 3.3Å; D553-S556 PolarHBondContact O-OG 2.95Å; D553-R557 PolarHBondContact O-N 3.48Å; D553-R557 IonicContact OD1-CZ 2.89Å; D553-R557 IonicContact OD1-NH1 3.09Å; D553-R557 PolarHBondContact OD1-NH1 3.26Å; D553-R557 IonicContact OD2-CZ 3.88Å; D553-R557 VanDerWaalsContact OD2-CZ 3.27Å; D553-R557 IonicContact OD2-NH1 3.38Å; D553-R557 PolarHBondContact OD2-NH1 2.96Å; D553-R557 IonicContact OD2-NH2 3.98Å; D553-R557 PolarHBondContact OD2-NH2 3.36Å |
| 554 | A | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | E543 V545 Q550 A551 S556 R557 L558 V600 | E543-A554 HydrophobicContact CB-CB 3.84Å; E543-A554 HydrophobicContact CG-CB 4.39Å; V545-A554 HydrophobicContact CG1-CB 3.79Å; Q550-A554 WeakPolarHBondContact O-CB 3.24Å; Q550-A554 PolarHBondContact O-N 3.44Å; A551-A554 PolarHBondContact O-N 3.23Å; A554-S556 VanDerWaalsContact C-N 3.34Å; A554-S556 PolarHBondContact O-N 3.24Å; A554-R557 PolarHBondContact O-N 2.96Å; A554-R557 VanDerWaalsContact O-N 3.1Å; A554-L558 WeakPolarHBondContact O-CG 3.24Å; A554-L558 PolarHBondContact O-N 3.18Å; A554-V600 HydrophobicContact CB-CB 4.31Å; A554-V600 HydrophobicContact CB-CG2 4.44Å |
| 555 | A | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -33.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A551 L552 R557 L558 G559 Y560 V562 L584 V600 | A551-A555 PolarHBondContact O-N 3.16Å; L552-A555 PolarHBondContact O-N 3.47Å; A555-R557 VanDerWaalsContact C-N 3.26Å; A555-R557 PolarHBondContact O-N 3.34Å; A555-L558 PolarHBondContact O-N 3.5Å; A555-G559 WeakPolarHBondContact O-CA 3.38Å; A555-G559 PolarHBondContact O-N 2.92Å; A555-Y560 HydrophobicContact CB-CE1 3.98Å; A555-Y560 HydrophobicContact CB-CE2 4.15Å; A555-Y560 WeakPolarHBondContact CB-OH 3.37Å; A555-V562 HydrophobicContact CB-CG1 3.94Å; A555-V562 HydrophobicContact CB-CG2 3.93Å; A555-L584 HydrophobicContact CB-CD2 3.24Å; A555-V600 HydrophobicContact CB-CG1 4.3Å |
| 556 | S | 89.3 | Confident | 89.2 | Confident | 83 Ų | 83 | 46.4 Ų | 46.4 | 58% | 0.58 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.1 | -28.5 | 171.5 | 28.9 | 0 | 0 | 0 | 0 | 113.7 | L552 D553 A554 | L552-S556 PolarHBondContact O-N 2.87Å; L552-S556 PolarHBondContact O-OG 2.85Å; D553-S556 VanDerWaalsContact C-OG 3.29Å; D553-S556 VanDerWaalsContact CA-OG 3.28Å; D553-S556 WeakPolarHBondContact CA-OG 3.45Å; D553-S556 PolarHBondContact O-N 3.3Å; D553-S556 PolarHBondContact O-OG 2.95Å; A554-S556 VanDerWaalsContact C-N 3.34Å; A554-S556 PolarHBondContact O-N 3.24Å |
| 557 | R | 91.4 | Very high | 88 | Confident | 134 Ų | 134 | 40.4 Ų | 40.4 | 51% | 0.506 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -80.2 | -42.1 | 173.6 | -75.1 | -172.5 | -71.8 | -83.4 | 1.5 | 113 | E543 D553 A554 A555 | E543-R557 IonicContact OE1-CZ 2.71Å; E543-R557 IonicContact OE1-NE 3.69Å; E543-R557 PolarHBondContact OE1-NE 2.82Å; E543-R557 IonicContact OE1-NH2 3.27Å; E543-R557 IonicContact OE2-CZ 2.66Å; E543-R557 IonicContact OE2-NE 3.68Å; E543-R557 PolarHBondContact OE2-NE 3.38Å; E543-R557 IonicContact OE2-NH2 3Å; E543-R557 PolarHBondContact OE2-NH2 3.17Å; D553-R557 PolarHBondContact O-N 3.48Å; D553-R557 IonicContact OD1-CZ 2.89Å; D553-R557 IonicContact OD1-NH1 3.09Å; D553-R557 PolarHBondContact OD1-NH1 3.26Å; D553-R557 IonicContact OD2-CZ 3.88Å; D553-R557 VanDerWaalsContact OD2-CZ 3.27Å; D553-R557 IonicContact OD2-NH1 3.38Å; D553-R557 PolarHBondContact OD2-NH1 2.96Å; D553-R557 IonicContact OD2-NH2 3.98Å; D553-R557 PolarHBondContact OD2-NH2 3.36Å; A554-R557 PolarHBondContact O-N 2.96Å; A554-R557 VanDerWaalsContact O-N 3.1Å; A555-R557 VanDerWaalsContact C-N 3.26Å; A555-R557 PolarHBondContact O-N 3.34Å |
| 558 | L | 89.9 | Confident | 86.6 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.7 | -30.9 | -178.3 | -67.7 | 168.7 | 0 | 0 | 0 | 112.7 | P541 A554 A555 V562 V600 | P541-L558 HydrophobicContact CB-CD2 3.92Å; A554-L558 WeakPolarHBondContact O-CG 3.24Å; A554-L558 PolarHBondContact O-N 3.18Å; A555-L558 PolarHBondContact O-N 3.5Å; L558-V562 HydrophobicContact CB-CG1 4.22Å; L558-V600 HydrophobicContact CD1-CB 4.18Å; L558-V600 HydrophobicContact CD1-CG1 3.85Å; L558-V600 WeakPolarHBondContact CD1-O 3.48Å |
| 559 | G | 89.4 | Confident | 85.2 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 34% | 0.34 | 24% | 0.236 | S | C | . | . | trans | 84.7 | 137 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A555 V562 | A555-G559 WeakPolarHBondContact O-CA 3.38Å; A555-G559 PolarHBondContact O-N 2.92Å; G559-V562 VanDerWaalsContact O-CG1 3.28Å; G559-V562 WeakPolarHBondContact O-CG1 3.41Å | ||
| 560 | Y | 90.2 | Very high | 83.4 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 30% | 0.302 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -74.2 | 149.1 | 175.3 | -69.9 | -81.5 | 0 | 0 | 0 | 112.3 | A555 V562 A578 N579 N580 E581 L584 | A555-Y560 HydrophobicContact CB-CE1 3.98Å; A555-Y560 HydrophobicContact CB-CE2 4.15Å; A555-Y560 WeakPolarHBondContact CB-OH 3.37Å; Y560-V562 HydrophobicContact CD1-CG2 3.98Å; Y560-V562 HydrophobicContact CE1-CG2 3.86Å; Y560-A578 WeakPolarHBondContact CD1-O 3.46Å; Y560-A578 HydrophobicContact CE1-CB 4.34Å; Y560-N579 WeakPolarHBondContact CB-O 3.49Å; Y560-N580 VanDerWaalsContact CE1-O 3.22Å; Y560-N580 WeakPolarHBondContact CE1-O 3.47Å; Y560-E581 WeakPolarHBondContact OH-CA 3.45Å; Y560-L584 HydrophobicContact CE1-CB 4.26Å; Y560-L584 HydrophobicContact CE1-CD2 4.21Å; Y560-L584 WeakPolarHBondContact OH-CD2 3.34Å |
| 561 | P | 90.2 | Very high | 81.7 | Confident | 55 Ų | 55 | 37.3 Ų | 37.3 | 36% | 0.357 | 20% | 0.203 | S | C | . | . | S | Bend | cis | -73 | 149.6 | -3.3 | 28.9 | -32.5 | 0 | 0 | 0 | 112.7 | A578 S603 | P561-A578 CarbonylContact C-O 3.41Å; P561-A578 VanDerWaalsContact CA-O 3.27Å; P561-A578 WeakPolarHBondContact CA-O 3.15Å; P561-S603 WeakPolarHBondContact O-CB 3.22Å; P561-S603 PolarHBondContact O-N 2.99Å |
| 562 | V | 91.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 158.9 | 175.2 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | A555 L558 G559 Y560 F577 A578 L584 V600 D601 | A555-V562 HydrophobicContact CB-CG1 3.94Å; A555-V562 HydrophobicContact CB-CG2 3.93Å; L558-V562 HydrophobicContact CB-CG1 4.22Å; G559-V562 VanDerWaalsContact O-CG1 3.28Å; G559-V562 WeakPolarHBondContact O-CG1 3.41Å; Y560-V562 HydrophobicContact CD1-CG2 3.98Å; Y560-V562 HydrophobicContact CE1-CG2 3.86Å; V562-F577 WeakPolarHBondContact O-CA 3.22Å; V562-A578 HydrophobicContact CG2-CB 4.06Å; V562-A578 PolarHBondContact N-O 3.19Å; V562-A578 PolarHBondContact O-N 2.76Å; V562-L584 HydrophobicContact CG2-CD1 4.19Å; V562-L584 HydrophobicContact CG2-CD2 4.13Å; V562-V600 HydrophobicContact CB-CG1 3.79Å; V562-V600 HydrophobicContact CG1-CG1 4.12Å; V562-V600 HydrophobicContact CG2-CG1 3.94Å; V562-D601 CarbonylContact C-O 3.43Å; V562-D601 VanDerWaalsContact CA-O 3.31Å; V562-D601 WeakPolarHBondContact CA-O 3.25Å; V562-D601 WeakPolarHBondContact CB-O 3.45Å |
| 563 | M | 88.1 | Confident | 79.2 | Confident | 33 Ų | 33 | 38.3 Ų | 38.3 | 16% | 0.163 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.1 | 171.5 | -172.1 | -172.6 | -172.3 | 0 | 0 | 109 | R565 F577 V600 D601 S768 | M563-R565 HydrophobicContact CE-CG 3.83Å; M563-R565 HydrophobicContact CG-CG 4.12Å; M563-R565 HydrophobicContact SD-CG 4.11Å; M563-F577 HydrophobicContact CB-CD1 3.97Å; M563-F577 HydrophobicContact CB-CE1 3.82Å; M563-F577 HydrophobicContact CE-CZ 4.27Å; M563-F577 HydrophobicContact CG-CD1 4.19Å; M563-F577 HydrophobicContact CG-CE1 3.87Å; M563-F577 HydrophobicContact CG-CZ 4.13Å; M563-F577 HydrophobicContact SD-CE1 4.19Å; M563-F577 HydrophobicContact SD-CZ 4.1Å; M563-V600 CarbonylContact O-C 3.54Å; M563-V600 WeakPolarHBondContact O-CA 3.46Å; M563-D601 HydrophobicContact CB-CB 4.34Å; M563-D601 PolarHBondContact N-O 3.07Å; M563-D601 PolarHBondContact O-N 3.48Å; M563-S768 VanDerWaalsContact CE-CB 3.48Å |
| 564 | A | 86.7 | Confident | 78.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S575 G576 L584 L587 L598 I599 | A564-S575 CarbonylContact O-C 3.56Å; A564-S575 WeakPolarHBondContact O-CA 3.4Å; A564-G576 PolarHBondContact N-O 2.57Å; A564-G576 PolarHBondContact O-N 3.43Å; A564-L584 HydrophobicContact CB-CD1 3.99Å; A564-L587 HydrophobicContact CB-CB 4.37Å; A564-L598 HydrophobicContact CB-CD1 3.93Å; A564-L598 HydrophobicContact CB-CD2 4.47Å; A564-I599 CarbonylContact C-O 3.35Å; A564-I599 WeakPolarHBondContact CA-O 3.36Å |
| 565 | R | 78.6 | Confident | 77.6 | Confident | 38 Ų | 38 | 35.8 Ų | 35.8 | 14% | 0.143 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 139.4 | 178.3 | -62.4 | -174.8 | -74.9 | -175.9 | 5.1 | 112.2 | M563 L598 I599 D601 | M563-R565 HydrophobicContact CE-CG 3.83Å; M563-R565 HydrophobicContact CG-CG 4.12Å; M563-R565 HydrophobicContact SD-CG 4.11Å; R565-L598 CarbonylContact O-C 3.52Å; R565-L598 WeakPolarHBondContact O-CA 3.4Å; R565-L598 VanDerWaalsContact O-CD1 3.24Å; R565-L598 WeakPolarHBondContact O-CD1 3.45Å; R565-I599 PolarHBondContact N-O 3.41Å; R565-I599 PolarHBondContact O-N 2.73Å; R565-D601 IonicContact CZ-OD1 3.9Å; R565-D601 IonicContact CZ-OD2 3.36Å; R565-D601 IonicContact NE-OD2 3.58Å; R565-D601 PolarHBondContact NE-OD2 3.35Å; R565-D601 IonicContact NH2-OD1 3.61Å; R565-D601 PolarHBondContact NH2-OD1 3.05Å; R565-D601 IonicContact NH2-OD2 2.82Å; R565-D601 PolarHBondContact NH2-OD2 3.31Å |
| 566 | A | 73.7 | Confident | 77.3 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 139.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S569 L573 A591 | A566-S569 PolarHBondContact O-OG 3.25Å; A566-L573 WeakPolarHBondContact CB-O 3.47Å; A566-A591 HydrophobicContact CB-CB 4.42Å |
| 567 | A | 64.7 | Low | 77.2 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 147.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S569 S595 Q597 | A567-S569 PolarHBondContact O-N 3.41Å; A567-S595 PolarHBondContact O-OG 2.9Å; A567-Q597 HydrophobicContact CB-CB 4.05Å; A567-Q597 HydrophobicContact CB-CG 4.27Å; A567-Q597 VanDerWaalsContact CB-OE1 3.28Å; A567-Q597 PolarHBondContact N-O 2.77Å |
| 568 | F | 61 | Low | 77.1 | Confident | 91 Ų | 91 | 28 Ų | 28 | 40% | 0.399 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 23.4 | -179.9 | -56 | -81.6 | 0 | 0 | 0 | 115.5 | E523 D524 | E523-F568 HydrophobicContact CB-CE1 4.39Å; D524-F568 HydrophobicContact CB-CZ 4.09Å |
| 569 | S | 58.4 | Low | 77.1 | Confident | 41 Ų | 41 | 30.8 Ų | 30.8 | 29% | 0.287 | 18% | 0.18 | S | C | . | . | trans | -92.3 | 131.1 | -178.5 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | A566 A567 L573 | A566-S569 PolarHBondContact O-OG 3.25Å; A567-S569 PolarHBondContact O-N 3.41Å; S569-L573 PolarHBondContact OG-O 2.8Å | ||
| 570 | L | 53.7 | Low | 77.3 | Confident | 28 Ų | 28 | 31.7 Ų | 31.7 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -60.7 | 144.8 | 170.3 | -176.6 | 79.6 | 0 | 0 | 0 | 110.7 | G417 Q418 Q489 G572 L573 R1284 | G417-L570 WeakPolarHBondContact O-CD1 3.26Å; Q418-L570 HydrophobicContact CB-CD1 4.46Å; Q418-L570 HydrophobicContact CB-CD2 3.85Å; Q489-L570 HydrophobicContact CB-CD1 3.46Å; Q489-L570 VanDerWaalsContact CB-CD1 3.46Å; Q489-L570 HydrophobicContact CG-CD1 4.25Å; L570-G572 PolarHBondContact O-N 2.94Å; L570-L573 PolarHBondContact O-N 2.98Å; L570-R1284 VanDerWaalsContact C-NH2 3.28Å; L570-R1284 PolarHBondContact O-NH1 3.48Å; L570-R1284 PolarHBondContact O-NH2 2.86Å |
| 571 | G | 57.9 | Low | 77.4 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 16% | 0.155 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | 47.6 | 32.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | L573 M770 R1284 | G571-L573 PolarHBondContact O-N 3.37Å; G571-M770 PolarHBondContact O-N 2.89Å; G571-R1284 PolarHBondContact O-NH1 3.27Å |
| 572 | G | 63.6 | Low | 77.4 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | 65.8 | 34 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L570 G574 S575 S769 | L570-G572 PolarHBondContact O-N 2.94Å; G572-G574 PolarHBondContact O-N 3.11Å; G572-S575 WeakPolarHBondContact O-CB 3.33Å; G572-S575 PolarHBondContact O-N 3.16Å; G572-S575 VanDerWaalsContact O-N 3.17Å; G572-S575 PolarHBondContact O-OG 3.3Å; G572-S769 WeakPolarHBondContact O-CB 3.39Å; G572-S769 PolarHBondContact O-OG 3.48Å |
| 573 | L | 67 | Low | 77.4 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 16% | 0.162 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 130.4 | 178.6 | -167.9 | 61.5 | 0 | 0 | 0 | 110.4 | A566 S569 L570 G571 S575 | A566-L573 WeakPolarHBondContact CB-O 3.47Å; S569-L573 PolarHBondContact OG-O 2.8Å; L570-L573 PolarHBondContact O-N 2.98Å; G571-L573 PolarHBondContact O-N 3.37Å; L573-S575 PolarHBondContact O-N 3.3Å |
| 574 | G | 70.4 | Confident | 77.6 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 19.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G572 A591 | G572-G574 PolarHBondContact O-N 3.11Å; G574-A591 WeakPolarHBondContact O-CB 3.26Å |
| 575 | S | 81.9 | Confident | 77.7 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | trans | -89.7 | 151.4 | 169.3 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | A564 G572 L573 S768 | A564-S575 CarbonylContact O-C 3.56Å; A564-S575 WeakPolarHBondContact O-CA 3.4Å; G572-S575 WeakPolarHBondContact O-CB 3.33Å; G572-S575 PolarHBondContact O-N 3.16Å; G572-S575 VanDerWaalsContact O-N 3.17Å; G572-S575 PolarHBondContact O-OG 3.3Å; L573-S575 PolarHBondContact O-N 3.3Å; S575-S768 WeakPolarHBondContact CB-OG 3.41Å; S575-S768 PolarHBondContact O-OG 2.91Å; S575-S768 VanDerWaalsContact OG-C 3.28Å; S575-S768 WeakPolarHBondContact OG-CB 3.38Å; S575-S768 PolarHBondContact OG-O 2.96Å; S575-S768 PolarHBondContact OG-OG 3.12Å | ||
| 576 | G | 85.1 | Confident | 77.9 | Confident | 10 Ų | 10 | 45 Ų | 45 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 165.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | A564 S768 | A564-G576 PolarHBondContact N-O 2.57Å; A564-G576 PolarHBondContact O-N 3.43Å; G576-S768 PolarHBondContact N-OG 2.77Å |
| 577 | F | 88 | Confident | 78.4 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 18% | 0.184 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 140.6 | 174.6 | -66.5 | -85.4 | 0 | 0 | 0 | 110.5 | V562 M563 L587 S603 K605 G635 | V562-F577 WeakPolarHBondContact O-CA 3.22Å; M563-F577 HydrophobicContact CB-CD1 3.97Å; M563-F577 HydrophobicContact CB-CE1 3.82Å; M563-F577 HydrophobicContact CE-CZ 4.27Å; M563-F577 HydrophobicContact CG-CD1 4.19Å; M563-F577 HydrophobicContact CG-CE1 3.87Å; M563-F577 HydrophobicContact CG-CZ 4.13Å; M563-F577 HydrophobicContact SD-CE1 4.19Å; M563-F577 HydrophobicContact SD-CZ 4.1Å; F577-L587 WeakPolarHBondContact O-CD1 3.33Å; F577-S603 WeakPolarHBondContact CE1-OG 3.4Å; F577-K605 HydrophobicContact CE1-CB 4.31Å; F577-G635 WeakPolarHBondContact CE2-O 3.3Å |
| 578 | A | 89.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y560 P561 V562 E583 L584 L587 | Y560-A578 WeakPolarHBondContact CD1-O 3.46Å; Y560-A578 HydrophobicContact CE1-CB 4.34Å; P561-A578 CarbonylContact C-O 3.41Å; P561-A578 VanDerWaalsContact CA-O 3.27Å; P561-A578 WeakPolarHBondContact CA-O 3.15Å; V562-A578 HydrophobicContact CG2-CB 4.06Å; V562-A578 PolarHBondContact N-O 3.19Å; V562-A578 PolarHBondContact O-N 2.76Å; A578-E583 HydrophobicContact CB-CB 3.88Å; A578-L584 HydrophobicContact CB-CB 3.6Å; A578-L584 HydrophobicContact CB-CD1 4.21Å; A578-L584 HydrophobicContact CB-CG 4.46Å; A578-L587 HydrophobicContact CB-CD1 4.18Å |
| 579 | N | 90 | Very high | 80.3 | Confident | 90 Ų | 90 | 46.8 Ų | 46.8 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -93.8 | -14.3 | 175.8 | -54.9 | -73.4 | 0 | 0 | 0 | 112.5 | Y560 E583 | Y560-N579 WeakPolarHBondContact CB-O 3.49Å; N579-E583 WeakPolarHBondContact CB-OE2 3.04Å; N579-E583 PolarHBondContact N-OE2 3.27Å; N579-E583 PolarHBondContact ND2-OE2 2.81Å |
| 580 | N | 92.9 | Very high | 81 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -150 | 174.1 | -178.1 | 53.6 | 53.3 | 0 | 0 | 0 | 110.6 | Y560 E582 E583 L584 | Y560-N580 VanDerWaalsContact CE1-O 3.22Å; Y560-N580 WeakPolarHBondContact CE1-O 3.47Å; N580-E582 VanDerWaalsContact C-N 3.34Å; N580-E582 PolarHBondContact O-N 3.4Å; N580-E582 PolarHBondContact OD1-N 2.81Å; N580-E582 PolarHBondContact OD1-OE2 3.31Å; N580-E583 PolarHBondContact ND2-OE1 2.87Å; N580-E583 WeakPolarHBondContact OD1-CB 3.26Å; N580-E583 VanDerWaalsContact OD1-CG 3.29Å; N580-E583 WeakPolarHBondContact OD1-CG 3.1Å; N580-E583 PolarHBondContact OD1-N 3.31Å; N580-L584 PolarHBondContact O-N 3.42Å |
| 581 | E | 92.6 | Very high | 82.1 | Confident | 111 Ų | 111 | 48 Ų | 48 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | -178.6 | -159 | 179.9 | 158.3 | 0 | 0 | 112.3 | L552 Y560 L584 Q585 | L552-E581 HydrophobicContact CB-CG 4.48Å; L552-E581 HydrophobicContact CD1-CG 4.04Å; L552-E581 HydrophobicContact CD2-CG 3.61Å; L552-E581 HydrophobicContact CG-CG 4.21Å; Y560-E581 WeakPolarHBondContact OH-CA 3.45Å; E581-L584 PolarHBondContact O-N 3.15Å; E581-Q585 WeakPolarHBondContact O-CB 3.19Å; E581-Q585 PolarHBondContact O-N 3.4Å |
| 582 | E | 90.3 | Very high | 83 | Confident | 142 Ų | 142 | 49 Ų | 49 | 66% | 0.664 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.9 | -44.8 | -179.2 | -62.3 | 96.1 | 172.3 | 0 | 0 | 112.5 | N580 L584 Q585 S586 | N580-E582 VanDerWaalsContact C-N 3.34Å; N580-E582 PolarHBondContact O-N 3.4Å; N580-E582 PolarHBondContact OD1-N 2.81Å; N580-E582 PolarHBondContact OD1-OE2 3.31Å; E582-L584 VanDerWaalsContact C-N 3.33Å; E582-L584 PolarHBondContact O-N 3.26Å; E582-Q585 PolarHBondContact O-N 2.92Å; E582-S586 PolarHBondContact O-N 2.99Å |
| 583 | E | 90.8 | Very high | 83.2 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176 | -76 | 169.1 | -152.6 | 0 | 0 | 111.2 | A578 N579 N580 S586 L587 | A578-E583 HydrophobicContact CB-CB 3.88Å; N579-E583 WeakPolarHBondContact CB-OE2 3.04Å; N579-E583 PolarHBondContact N-OE2 3.27Å; N579-E583 PolarHBondContact ND2-OE2 2.81Å; N580-E583 PolarHBondContact ND2-OE1 2.87Å; N580-E583 WeakPolarHBondContact OD1-CB 3.26Å; N580-E583 VanDerWaalsContact OD1-CG 3.29Å; N580-E583 WeakPolarHBondContact OD1-CG 3.1Å; N580-E583 PolarHBondContact OD1-N 3.31Å; E583-S586 PolarHBondContact O-N 3.11Å; E583-L587 WeakPolarHBondContact O-CG 3.31Å; E583-L587 PolarHBondContact O-N 3.27Å |
| 584 | L | 91.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 178.9 | -176.7 | 58.8 | 0 | 0 | 0 | 111.9 | A551 L552 A555 Y560 V562 A564 A578 N580 E581 E582 S586 L587 A588 | A551-L584 WeakPolarHBondContact O-CD2 3.4Å; L552-L584 HydrophobicContact CD2-CB 4.04Å; L552-L584 HydrophobicContact CD2-CD2 3.89Å; L552-L584 HydrophobicContact CD2-CG 3.97Å; A555-L584 HydrophobicContact CB-CD2 3.24Å; Y560-L584 HydrophobicContact CE1-CB 4.26Å; Y560-L584 HydrophobicContact CE1-CD2 4.21Å; Y560-L584 WeakPolarHBondContact OH-CD2 3.34Å; V562-L584 HydrophobicContact CG2-CD1 4.19Å; V562-L584 HydrophobicContact CG2-CD2 4.13Å; A564-L584 HydrophobicContact CB-CD1 3.99Å; A578-L584 HydrophobicContact CB-CB 3.6Å; A578-L584 HydrophobicContact CB-CD1 4.21Å; A578-L584 HydrophobicContact CB-CG 4.46Å; N580-L584 PolarHBondContact O-N 3.42Å; E581-L584 PolarHBondContact O-N 3.15Å; E582-L584 VanDerWaalsContact C-N 3.33Å; E582-L584 PolarHBondContact O-N 3.26Å; L584-S586 VanDerWaalsContact C-N 3.31Å; L584-S586 PolarHBondContact O-N 2.84Å; L584-L587 PolarHBondContact O-N 3.27Å; L584-A588 WeakPolarHBondContact O-CB 3.41Å; L584-A588 PolarHBondContact O-N 3.33Å |
| 585 | Q | 89.6 | Confident | 83.1 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 176.6 | -176.1 | 174.9 | -3.3 | 0 | 0 | 111.3 | V548 L552 E581 E582 Q589 | V548-Q585 HydrophobicContact CG1-CB 4.48Å; V548-Q585 HydrophobicContact CG1-CG 3.88Å; L552-Q585 HydrophobicContact CD2-CB 4.39Å; E581-Q585 WeakPolarHBondContact O-CB 3.19Å; E581-Q585 PolarHBondContact O-N 3.4Å; E582-Q585 PolarHBondContact O-N 2.92Å; Q585-Q589 VanDerWaalsContact O-CG 3.28Å; Q585-Q589 WeakPolarHBondContact O-CG 3.47Å; Q585-Q589 PolarHBondContact O-N 3.42Å; Q585-Q589 VanDerWaalsContact O-N 3.13Å |
| 586 | S | 82.1 | Confident | 82.6 | Confident | 74 Ų | 74 | 54.5 Ų | 54.5 | 52% | 0.517 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 112 | E582 E583 L584 Q589 Q590 | E582-S586 PolarHBondContact O-N 2.99Å; E583-S586 PolarHBondContact O-N 3.11Å; L584-S586 VanDerWaalsContact C-N 3.31Å; L584-S586 PolarHBondContact O-N 2.84Å; S586-Q589 PolarHBondContact O-N 3.05Å; S586-Q590 PolarHBondContact O-N 3.35Å |
| 587 | L | 83.7 | Confident | 82.5 | Confident | 34 Ų | 34 | 54.9 Ų | 54.9 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 179.1 | -74.9 | 171.4 | 0 | 0 | 0 | 112.1 | A564 F577 A578 E583 L584 Q589 Q590 A591 | A564-L587 HydrophobicContact CB-CB 4.37Å; F577-L587 WeakPolarHBondContact O-CD1 3.33Å; A578-L587 HydrophobicContact CB-CD1 4.18Å; E583-L587 WeakPolarHBondContact O-CG 3.31Å; E583-L587 PolarHBondContact O-N 3.27Å; L584-L587 PolarHBondContact O-N 3.27Å; L587-Q589 PolarHBondContact O-N 2.84Å; L587-Q590 PolarHBondContact O-N 2.63Å; L587-A591 WeakPolarHBondContact O-CB 3.36Å; L587-A591 PolarHBondContact O-N 3.5Å |
| 588 | A | 85.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | V548 A551 L584 Q590 L592 L598 | V548-A588 HydrophobicContact CG1-CB 4.42Å; V548-A588 HydrophobicContact CG2-CB 4.21Å; A551-A588 HydrophobicContact CB-CB 3.98Å; L584-A588 WeakPolarHBondContact O-CB 3.41Å; L584-A588 PolarHBondContact O-N 3.33Å; A588-Q590 VanDerWaalsContact C-N 3.33Å; A588-Q590 PolarHBondContact O-N 3.36Å; A588-L592 VanDerWaalsContact O-CB 3.26Å; A588-L592 WeakPolarHBondContact O-CB 3.27Å; A588-L592 VanDerWaalsContact O-CG 3.3Å; A588-L592 WeakPolarHBondContact O-CG 3.34Å; A588-L592 PolarHBondContact O-N 3.32Å; A588-L598 HydrophobicContact CB-CD2 3.53Å |
| 589 | Q | 81 | Confident | 81.9 | Confident | 113 Ų | 113 | 53 Ų | 53 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 174.9 | -77.4 | 177 | 4.4 | 0 | 0 | 112.1 | V548 Q585 S586 L587 | V548-Q589 HydrophobicContact CG2-CG 3.77Å; Q585-Q589 VanDerWaalsContact O-CG 3.28Å; Q585-Q589 WeakPolarHBondContact O-CG 3.47Å; Q585-Q589 PolarHBondContact O-N 3.42Å; Q585-Q589 VanDerWaalsContact O-N 3.13Å; S586-Q589 PolarHBondContact O-N 3.05Å; L587-Q589 PolarHBondContact O-N 2.84Å |
| 590 | Q | 73.7 | Confident | 81.9 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.4 | -46.2 | 179.3 | -171.5 | 178.7 | -0.1 | 0 | 0 | 112 | S586 L587 A588 A593 H594 | S586-Q590 PolarHBondContact O-N 3.35Å; L587-Q590 PolarHBondContact O-N 2.63Å; A588-Q590 VanDerWaalsContact C-N 3.33Å; A588-Q590 PolarHBondContact O-N 3.36Å; Q590-A593 WeakPolarHBondContact O-CB 3.47Å; Q590-A593 PolarHBondContact O-N 3.31Å; Q590-H594 PolarHBondContact O-CD2 3.09Å |
| 591 | A | 76.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A566 G574 L587 A593 H594 S595 L598 | A566-A591 HydrophobicContact CB-CB 4.42Å; G574-A591 WeakPolarHBondContact O-CB 3.26Å; L587-A591 WeakPolarHBondContact O-CB 3.36Å; L587-A591 PolarHBondContact O-N 3.5Å; A591-A593 PolarHBondContact O-N 2.89Å; A591-H594 PolarHBondContact O-N 2.8Å; A591-H594 VanDerWaalsContact O-N 3.08Å; A591-S595 PolarHBondContact O-N 2.84Å; A591-L598 HydrophobicContact CB-CD1 3.4Å; A591-L598 VanDerWaalsContact CB-CD1 3.4Å |
| 592 | L | 76.8 | Confident | 81.5 | Confident | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -13.3 | 178.4 | -72 | 169.2 | 0 | 0 | 0 | 113.5 | V548 A588 S595 L598 | V548-L592 HydrophobicContact CG2-CD1 4.15Å; A588-L592 VanDerWaalsContact O-CB 3.26Å; A588-L592 WeakPolarHBondContact O-CB 3.27Å; A588-L592 VanDerWaalsContact O-CG 3.3Å; A588-L592 WeakPolarHBondContact O-CG 3.34Å; A588-L592 PolarHBondContact O-N 3.32Å; L592-S595 CarbonylContact C-O 3.52Å; L592-S595 VanDerWaalsContact CA-O 3.24Å; L592-S595 WeakPolarHBondContact CA-O 3.48Å; L592-L598 HydrophobicContact CD2-CB 3.81Å; L592-L598 HydrophobicContact CG-CB 4.1Å |
| 593 | A | 67.3 | Low | 81.4 | Confident | 21 Ų | 21 | 40.2 Ų | 40.2 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -76.8 | -31.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q590 A591 K1402 Y1437 | Q590-A593 WeakPolarHBondContact O-CB 3.47Å; Q590-A593 PolarHBondContact O-N 3.31Å; A591-A593 PolarHBondContact O-N 2.89Å; A593-K1402 PolarHBondContact O-NZ 3.02Å; A593-Y1437 HydrophobicContact CB-CD1 3.81Å; A593-Y1437 HydrophobicContact CB-CE1 3.61Å |
| 594 | H | 65.3 | Low | 81.4 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 22% | 0.222 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -87.8 | -39 | 179 | -70 | -73.8 | 0 | 0 | 0 | 112.5 | Q590 A591 D1436 | Q590-H594 PolarHBondContact O-CD2 3.09Å; A591-H594 PolarHBondContact O-N 2.8Å; A591-H594 VanDerWaalsContact O-N 3.08Å; H594-D1436 PolarHBondContact CE1-O 3.48Å; H594-D1436 PolarHBondContact ND1-O 3.42Å; H594-D1436 PolarHBondContact NE2-O 2.98Å |
| 595 | S | 69.8 | Low | 81.3 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | trans | -129 | 143.7 | -178.6 | -172 | 0 | 0 | 0 | 0 | 110.5 | A567 A591 L592 Q597 | A567-S595 PolarHBondContact O-OG 2.9Å; A591-S595 PolarHBondContact O-N 2.84Å; L592-S595 CarbonylContact C-O 3.52Å; L592-S595 VanDerWaalsContact CA-O 3.24Å; L592-S595 WeakPolarHBondContact CA-O 3.48Å; S595-Q597 PolarHBondContact O-N 3.21Å; S595-Q597 VanDerWaalsContact O-N 3.16Å; S595-Q597 PolarHBondContact OG-O 3.16Å | ||
| 596 | S | 72.1 | Confident | 81.3 | Confident | 102 Ų | 102 | 39.8 Ų | 39.8 | 71% | 0.713 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -69.7 | -6.2 | 175.4 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | Y546 | Y546-S596 WeakPolarHBondContact CD1-O 3.36Š|
| 597 | Q | 81 | Confident | 81.9 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | trans | -136.3 | 133.7 | -176.6 | -176 | -176.1 | 51.6 | 0 | 0 | 109.8 | A544 Y546 A567 S595 I599 | A544-Q597 HydrophobicContact CB-CG 4.5Å; Y546-Q597 HydrophobicContact CD1-CB 4.4Å; Y546-Q597 HydrophobicContact CE1-CB 4.13Å; Y546-Q597 HydrophobicContact CE1-CG 4.03Å; Y546-Q597 PolarHBondContact OH-NE2 2.93Å; A567-Q597 HydrophobicContact CB-CB 4.05Å; A567-Q597 HydrophobicContact CB-CG 4.27Å; A567-Q597 VanDerWaalsContact CB-OE1 3.28Å; A567-Q597 PolarHBondContact N-O 2.77Å; S595-Q597 PolarHBondContact O-N 3.21Å; S595-Q597 VanDerWaalsContact O-N 3.16Å; S595-Q597 PolarHBondContact OG-O 3.16Å; Q597-I599 HydrophobicContact CG-CD1 4.16Å | ||
| 598 | L | 84.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142 | 172.1 | 176.2 | 72.8 | 0 | 0 | 0 | 108.2 | V545 A551 A564 R565 A588 A591 L592 | V545-L598 HydrophobicContact CG2-CB 3.79Å; V545-L598 HydrophobicContact CG2-CD2 3.92Å; V545-L598 HydrophobicContact CG2-CG 4.02Å; V545-L598 WeakPolarHBondContact CG2-O 3.26Å; V545-L598 PolarHBondContact N-O 3.03Å; V545-L598 PolarHBondContact O-N 2.8Å; V545-L598 VanDerWaalsContact O-O 3.07Å; A551-L598 HydrophobicContact CB-CD2 3.97Å; A564-L598 HydrophobicContact CB-CD1 3.93Å; A564-L598 HydrophobicContact CB-CD2 4.47Å; R565-L598 CarbonylContact O-C 3.52Å; R565-L598 WeakPolarHBondContact O-CA 3.4Å; R565-L598 VanDerWaalsContact O-CD1 3.24Å; R565-L598 WeakPolarHBondContact O-CD1 3.45Å; A588-L598 HydrophobicContact CB-CD2 3.53Å; A591-L598 HydrophobicContact CB-CD1 3.4Å; A591-L598 VanDerWaalsContact CB-CD1 3.4Å; L592-L598 HydrophobicContact CD2-CB 3.81Å; L592-L598 HydrophobicContact CG-CB 4.1Å |
| 599 | I | 83.3 | Confident | 83 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.3 | 173.8 | -52.5 | -59.8 | 0 | 0 | 0 | 107.8 | R525 A544 A564 R565 Q597 | R525-I599 HydrophobicContact CB-CD1 4.27Å; R525-I599 HydrophobicContact CB-CG1 4.18Å; R525-I599 HydrophobicContact CG-CG1 4.22Å; A544-I599 HydrophobicContact CB-CD1 3.54Å; A564-I599 CarbonylContact C-O 3.35Å; A564-I599 WeakPolarHBondContact CA-O 3.36Å; R565-I599 PolarHBondContact N-O 3.41Å; R565-I599 PolarHBondContact O-N 2.73Å; Q597-I599 HydrophobicContact CG-CD1 4.16Å |
| 600 | V | 88.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.8 | 173.3 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | S542 E543 V545 A551 A554 A555 L558 V562 M563 | S542-V600 CarbonylContact C-O 3.55Å; S542-V600 VanDerWaalsContact CA-O 3.23Å; S542-V600 WeakPolarHBondContact CA-O 3.3Å; E543-V600 PolarHBondContact N-O 3.18Å; E543-V600 PolarHBondContact O-N 3.48Å; V545-V600 HydrophobicContact CG1-CG2 4.47Å; V545-V600 HydrophobicContact CG2-CG2 3.98Å; A551-V600 HydrophobicContact CB-CG2 4.17Å; A554-V600 HydrophobicContact CB-CB 4.31Å; A554-V600 HydrophobicContact CB-CG2 4.44Å; A555-V600 HydrophobicContact CB-CG1 4.3Å; L558-V600 HydrophobicContact CD1-CB 4.18Å; L558-V600 HydrophobicContact CD1-CG1 3.85Å; L558-V600 WeakPolarHBondContact CD1-O 3.48Å; V562-V600 HydrophobicContact CB-CG1 3.79Å; V562-V600 HydrophobicContact CG1-CG1 4.12Å; V562-V600 HydrophobicContact CG2-CG1 3.94Å; M563-V600 CarbonylContact O-C 3.54Å; M563-V600 WeakPolarHBondContact O-CA 3.46Å |
| 601 | D | 87.2 | Confident | 84.9 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 150.1 | 177.7 | -49.2 | -83.6 | 0 | 0 | 0 | 110.9 | P541 S542 V562 M563 R565 S603 | P541-D601 WeakPolarHBondContact O-CA 3.4Å; S542-D601 WeakPolarHBondContact CB-OD1 3.27Å; V562-D601 CarbonylContact C-O 3.43Å; V562-D601 VanDerWaalsContact CA-O 3.31Å; V562-D601 WeakPolarHBondContact CA-O 3.25Å; V562-D601 WeakPolarHBondContact CB-O 3.45Å; M563-D601 HydrophobicContact CB-CB 4.34Å; M563-D601 PolarHBondContact N-O 3.07Å; M563-D601 PolarHBondContact O-N 3.48Å; R565-D601 IonicContact CZ-OD1 3.9Å; R565-D601 IonicContact CZ-OD2 3.36Å; R565-D601 IonicContact NE-OD2 3.58Å; R565-D601 PolarHBondContact NE-OD2 3.35Å; R565-D601 IonicContact NH2-OD1 3.61Å; R565-D601 PolarHBondContact NH2-OD1 3.05Å; R565-D601 IonicContact NH2-OD2 2.82Å; R565-D601 PolarHBondContact NH2-OD2 3.31Å; D601-S603 PolarHBondContact O-N 2.94Å |
| 602 | K | 89 | Confident | 85.9 | Confident | 101 Ų | 101 | 28.3 Ų | 28.3 | 44% | 0.439 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 126.8 | 162.5 | -175.6 | 175.5 | -178.1 | 179.1 | 0 | 109.1 | P541 L604 | P541-K602 HydrophobicContact CB-CB 4.25Å; P541-K602 HydrophobicContact CG-CB 4.5Å; P541-K602 HydrophobicContact CG-CD 4.37Å; P541-K602 PolarHBondContact O-N 2.91Å; K602-L604 PolarHBondContact O-N 3.4Å |
| 603 | S | 89.7 | Confident | 86.8 | Confident | 19 Ų | 19 | 26.5 Ų | 26.5 | 13% | 0.133 | 14% | 0.141 | C | C | . | . | trans | -66.6 | 129.3 | 179.8 | -177 | 0 | 0 | 0 | 0 | 111.2 | P561 F577 D601 K605 | P561-S603 WeakPolarHBondContact O-CB 3.22Å; P561-S603 PolarHBondContact O-N 2.99Å; F577-S603 WeakPolarHBondContact CE1-OG 3.4Å; D601-S603 PolarHBondContact O-N 2.94Å; S603-K605 WeakPolarHBondContact OG-CB 3.44Å; S603-K605 PolarHBondContact OG-N 2.99Å | ||
| 604 | L | 90.2 | Very high | 88.2 | Confident | 16 Ų | 16 | 25.5 Ų | 25.5 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | trans | -106.6 | 23.4 | 170.6 | -59.8 | 178 | 0 | 0 | 0 | 110.9 | A540 K602 G606 W607 L634 A680 Y689 | A540-L604 HydrophobicContact CB-CD1 3.9Å; A540-L604 HydrophobicContact CB-CG 4.48Å; K602-L604 PolarHBondContact O-N 3.4Å; L604-G606 PolarHBondContact O-N 3.36Å; L604-W607 HydrophobicContact CB-CD2 4.42Å; L604-W607 HydrophobicContact CB-CG 4.23Å; L604-W607 HydrophobicContact CD2-CD2 4.37Å; L604-W607 HydrophobicContact CD2-CH2 4.48Å; L604-W607 HydrophobicContact CD2-CZ2 4.15Å; L604-W607 WeakPolarHBondContact O-CB 3.48Å; L604-W607 VanDerWaalsContact O-CG 3.31Å; L604-W607 PolarHBondContact O-N 3.4Å; L604-L634 HydrophobicContact CB-CD2 3.52Å; L604-A680 HydrophobicContact CB-CB 4.38Å; L604-A680 HydrophobicContact CD1-CB 3.65Å; L604-Y689 HydrophobicContact CD1-CD2 3.6Å; L604-Y689 HydrophobicContact CD1-CG 3.98Å; L604-Y689 HydrophobicContact CD2-CD2 3.84Å; L604-Y689 HydrophobicContact CD2-CE2 4.02Å; L604-Y689 HydrophobicContact CG-CD2 4.4Å | ||
| 605 | K | 89.1 | Confident | 89.7 | Confident | 119 Ų | 119 | 23.2 Ų | 23.2 | 52% | 0.517 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 132.5 | -178.4 | -174.9 | 178.3 | 179.5 | -178.1 | 0 | 111 | F577 S603 L634 | F577-K605 HydrophobicContact CE1-CB 4.31Å; S603-K605 WeakPolarHBondContact OG-CB 3.44Å; S603-K605 PolarHBondContact OG-N 2.99Å; K605-L634 CarbonylContact C-O 3.56Å; K605-L634 VanDerWaalsContact CA-O 3.26Å; K605-L634 WeakPolarHBondContact CA-O 3.39Å |
| 606 | G | 90.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 13% | 0.134 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -3.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L604 L634 | L604-G606 PolarHBondContact O-N 3.36Å; G606-L634 PolarHBondContact N-O 3.41Å |
| 607 | W | 95.4 | Very high | 91.9 | Very high | 47 Ų | 47 | 18.5 Ų | 18.5 | 18% | 0.178 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -77.9 | 160.4 | 174.8 | -70.6 | 44.3 | 0 | 0 | 0 | 111.1 | L604 L634 A680 L681 C682 Q687 Y689 | L604-W607 HydrophobicContact CB-CD2 4.42Å; L604-W607 HydrophobicContact CB-CG 4.23Å; L604-W607 HydrophobicContact CD2-CD2 4.37Å; L604-W607 HydrophobicContact CD2-CH2 4.48Å; L604-W607 HydrophobicContact CD2-CZ2 4.15Å; L604-W607 WeakPolarHBondContact O-CB 3.48Å; L604-W607 VanDerWaalsContact O-CG 3.31Å; L604-W607 PolarHBondContact O-N 3.4Å; W607-L634 HydrophobicContact CB-CB 4.38Å; W607-L634 WeakPolarHBondContact O-CB 3.47Å; W607-L634 PolarHBondContact O-N 3.04Å; W607-A680 HydrophobicContact CB-CB 4.41Å; W607-A680 HydrophobicContact CE3-CB 4.26Å; W607-L681 VanDerWaalsContact CE3-C 3.5Å; W607-C682 HydrophobicContact CD2-CB 4.39Å; W607-C682 VanDerWaalsContact CE3-CA 3.5Å; W607-C682 HydrophobicContact CE3-CB 3.88Å; W607-C682 HydrophobicContact CH2-CB 3.76Å; W607-C682 HydrophobicContact CZ2-CB 4.29Å; W607-C682 HydrophobicContact CZ3-CB 3.54Å; W607-Q687 HydrophobicContact CH2-CB 4.49Å; W607-Q687 HydrophobicContact CH2-CG 4.12Å; W607-Q687 HydrophobicContact CZ3-CG 4.37Å; W607-Q687 WeakPolarHBondContact CZ3-O 3.23Å; W607-Y689 HydrophobicContact CH2-CD2 4.21Å; W607-Y689 AromaticContact CH2-CE2 3.97Å; W607-Y689 HydrophobicContact CH2-CE2 3.97Å; W607-Y689 AromaticContact CZ3-CD2 3.97Å; W607-Y689 HydrophobicContact CZ3-CD2 3.97Å; W607-Y689 HydrophobicContact CZ3-CE2 4.19Å |
| 608 | K | 96.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 19.4 Ų | 19.4 | 8% | 0.083 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 134.4 | 173 | -59.4 | -171.2 | 175.7 | -160.7 | 0 | 108.9 | T649 A680 L681 P683 D848 | K608-T649 PolarHBondContact NZ-OG1 2.97Å; K608-A680 CarbonylContact O-C 3.32Å; K608-A680 WeakPolarHBondContact O-CA 3.17Å; K608-L681 HydrophobicContact CB-CB 4.29Å; K608-L681 PolarHBondContact N-O 3.3Å; K608-L681 PolarHBondContact O-N 2.91Å; K608-P683 HydrophobicContact CG-CB 4.47Å; K608-P683 HydrophobicContact CG-CG 4.18Å; K608-D848 WeakPolarHBondContact CE-OD2 3.42Å; K608-D848 IonicContact NZ-OD2 3.92Å; K608-D848 PolarHBondContact NZ-OD2 2.88Å |
| 609 | E | 96.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.033 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.3 | 175.2 | -173.3 | 169.2 | -151.8 | 0 | 0 | 109.1 | N630 L634 T638 Y679 I691 | E609-N630 HydrophobicContact CB-CB 4.03Å; E609-N630 WeakPolarHBondContact CG-ND2 3Å; E609-N630 PolarHBondContact O-N 3.31Å; E609-N630 PolarHBondContact OE2-ND2 2.89Å; E609-L634 HydrophobicContact CB-CB 4.42Å; E609-L634 HydrophobicContact CB-CD1 4.49Å; E609-L634 HydrophobicContact CG-CD1 4.27Å; E609-L634 WeakPolarHBondContact OE1-CD1 3.41Å; E609-T638 PolarHBondContact OE1-OG1 2.96Å; E609-Y679 WeakPolarHBondContact CA-O 3.47Å; E609-I691 HydrophobicContact CG-CD1 4.03Å |
| 610 | V | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.5 | -172 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | Y612 M628 L650 L658 Q678 Y679 | V610-Y612 HydrophobicContact CG1-CD2 4.23Å; V610-Y612 HydrophobicContact CG1-CE2 3.84Å; V610-M628 WeakPolarHBondContact CA-O 3.26Å; V610-M628 WeakPolarHBondContact CG1-O 3.46Å; V610-L650 HydrophobicContact CG1-CD1 3.79Å; V610-L650 HydrophobicContact CG2-CD1 4.09Å; V610-L650 HydrophobicContact CG2-CD2 4.17Å; V610-L658 HydrophobicContact CB-CD1 4.12Å; V610-L658 HydrophobicContact CG1-CD1 3.86Å; V610-L658 HydrophobicContact CG2-CD1 4.36Å; V610-Q678 CarbonylContact O-C 3.57Å; V610-Q678 WeakPolarHBondContact O-CA 3.41Å; V610-Y679 PolarHBondContact N-O 2.95Å; V610-Y679 PolarHBondContact O-N 3.45Å |
| 611 | E | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.7 | -179.7 | -34.3 | -161.6 | 144.4 | 0 | 0 | 111.7 | N627 M628 T638 I677 Q678 S700 | E611-N627 WeakPolarHBondContact O-CA 3.18Å; E611-M628 HydrophobicContact CB-CB 4.18Å; E611-M628 HydrophobicContact CB-CE 4.45Å; E611-M628 HydrophobicContact CG-CB 4.43Å; E611-M628 PolarHBondContact N-O 3.05Å; E611-M628 PolarHBondContact O-N 2.82Å; E611-T638 VanDerWaalsContact CD-CG2 3.43Å; E611-T638 WeakPolarHBondContact OE1-CB 3.5Å; E611-T638 WeakPolarHBondContact OE1-CG2 3.3Å; E611-T638 PolarHBondContact OE1-OG1 3.47Å; E611-I677 WeakPolarHBondContact CA-O 3.42Å; E611-Q678 HydrophobicContact CB-CG 4.29Å; E611-Q678 HydrophobicContact CG-CG 3.97Å; E611-Q678 PolarHBondContact OE1-NE2 2.97Å; E611-S700 WeakPolarHBondContact OE2-CB 3.23Å; E611-S700 PolarHBondContact OE2-OG 2.9Å |
| 612 | Y | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.2 | 170 | -81.6 | -102.3 | 0 | 0 | 0 | 110.1 | V610 T624 C626 N627 Y655 L658 R659 I677 Y679 | V610-Y612 HydrophobicContact CG1-CD2 4.23Å; V610-Y612 HydrophobicContact CG1-CE2 3.84Å; Y612-T624 HydrophobicContact CD1-CG2 3.96Å; Y612-C626 WeakPolarHBondContact CA-O 3.5Å; Y612-N627 HydrophobicContact CD1-CB 4.02Å; Y612-N627 HydrophobicContact CE1-CB 3.64Å; Y612-N627 HydrophobicContact CE2-CB 4.26Å; Y612-N627 HydrophobicContact CG-CB 4.48Å; Y612-Y655 HydrophobicContact CE1-CE2 4.48Å; Y612-Y655 WeakPolarHBondContact OH-CA 3.4Å; Y612-Y655 VanDerWaalsContact OH-CD2 3.23Å; Y612-Y655 WeakPolarHBondContact OH-CD2 3.32Å; Y612-Y655 VanDerWaalsContact OH-CG 3.31Å; Y612-Y655 PolarHBondContact OH-O 3.21Å; Y612-L658 HydrophobicContact CD2-CB 4.32Å; Y612-L658 HydrophobicContact CE2-CB 3.67Å; Y612-L658 HydrophobicContact CE2-CD1 4.38Å; Y612-R659 HydrophobicContact CE1-CB 3.92Å; Y612-R659 HydrophobicContact CE1-CG 4.43Å; Y612-I677 PolarHBondContact N-O 3.23Å; Y612-I677 PolarHBondContact O-N 3.1Å; Y612-Y679 HydrophobicContact CD2-CD2 4.22Å; Y612-Y679 AromaticContact CD2-CE2 3.84Å; Y612-Y679 HydrophobicContact CD2-CE2 3.84Å |
| 613 | E | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.4 | 170.1 | -162.9 | 74.3 | 169.8 | 0 | 0 | 109.4 | T624 V625 C626 E674 N676 S701 A704 L712 | E613-T624 CarbonylContact O-C 3.59Å; E613-T624 VanDerWaalsContact O-CA 3.29Å; E613-T624 WeakPolarHBondContact O-CA 3.21Å; E613-V625 PolarHBondContact O-N 3.06Å; E613-C626 HydrophobicContact CB-CB 4.05Å; E613-C626 PolarHBondContact N-O 2.84Å; E613-E674 VanDerWaalsContact CD-OE1 3.29Å; E613-E674 HydrophobicContact CG-CG 4.25Å; E613-E674 VanDerWaalsContact OE1-CG 3.26Å; E613-E674 WeakPolarHBondContact OE1-CG 2.99Å; E613-N676 WeakPolarHBondContact OE2-CB 3.14Å; E613-N676 PolarHBondContact OE2-ND2 3.28Å; E613-N676 VanDerWaalsContact OE2-ND2 3.17Å; E613-S701 WeakPolarHBondContact OE1-CA 3.28Å; E613-S701 WeakPolarHBondContact OE1-CB 3.49Å; E613-S701 PolarHBondContact OE1-OG 2.96Å; E613-A704 HydrophobicContact CB-CB 4.23Å; E613-A704 HydrophobicContact CG-CB 4.12Å; E613-L712 HydrophobicContact CG-CD1 3.69Å; E613-L712 HydrophobicContact CG-CD2 4.13Å |
| 614 | V | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 137.4 | -170.9 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | I623 T624 A662 L663 I666 E674 C675 I677 | V614-I623 WeakPolarHBondContact CA-O 3.47Å; V614-I623 WeakPolarHBondContact CG1-O 3.29Å; V614-T624 HydrophobicContact CG2-CG2 4.24Å; V614-A662 HydrophobicContact CG2-CB 3.92Å; V614-L663 HydrophobicContact CG1-CD2 4.06Å; V614-I666 HydrophobicContact CB-CG1 4.08Å; V614-I666 HydrophobicContact CG1-CB 4.18Å; V614-I666 HydrophobicContact CG1-CG1 3.99Å; V614-I666 HydrophobicContact CG1-CG2 4.04Å; V614-I666 HydrophobicContact CG2-CG1 4.11Å; V614-E674 CarbonylContact O-C 3.48Å; V614-E674 VanDerWaalsContact O-CA 3.3Å; V614-E674 WeakPolarHBondContact O-CA 3.49Å; V614-C675 PolarHBondContact N-O 3.39Å; V614-C675 PolarHBondContact O-N 2.83Å; V614-I677 HydrophobicContact CG2-CG2 4.05Å |
| 615 | V | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.2 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 109.6 | C622 I623 V625 G673 E674 L712 V715 L719 L725 | V615-C622 CarbonylContact O-C 3.56Å; V615-C622 VanDerWaalsContact O-CA 3.29Å; V615-C622 WeakPolarHBondContact O-CA 3.16Å; V615-I623 HydrophobicContact CB-CD1 4.45Å; V615-I623 HydrophobicContact CB-CG1 4.02Å; V615-I623 PolarHBondContact N-O 3.26Å; V615-I623 PolarHBondContact O-N 2.9Å; V615-V625 HydrophobicContact CB-CG2 4.26Å; V615-V625 HydrophobicContact CG2-CG2 3.59Å; V615-G673 CarbonylContact C-O 3.49Å; V615-G673 WeakPolarHBondContact CA-O 3.46Å; V615-E674 HydrophobicContact CG2-CB 4.21Å; V615-L712 HydrophobicContact CG2-CD2 3.49Å; V615-L712 VanDerWaalsContact CG2-CD2 3.49Å; V615-V715 HydrophobicContact CG1-CG1 4.16Å; V615-L719 HydrophobicContact CG1-CD1 3.4Å; V615-L719 VanDerWaalsContact CG1-CD1 3.4Å; V615-L725 HydrophobicContact CG1-CD1 4.19Å; V615-L725 HydrophobicContact CG1-CD2 4.16Å |
| 616 | R | 94.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 13.7 Ų | 13.7 | 8% | 0.083 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 134.1 | -179.5 | -174.8 | 175.5 | 173.7 | -79.5 | -2.9 | 112.4 | N620 N621 C622 I666 V671 V672 G673 | R616-N620 PolarHBondContact NE-OD1 2.93Å; R616-N620 PolarHBondContact NH2-OD1 2.8Å; R616-N621 VanDerWaalsContact CA-O 3.31Å; R616-N621 WeakPolarHBondContact CA-O 3.32Å; R616-C622 HydrophobicContact CB-CB 4.26Å; R616-C622 HydrophobicContact CG-CB 4.01Å; R616-I666 HydrophobicContact CB-CG2 4.21Å; R616-V671 WeakPolarHBondContact CD-O 3.34Å; R616-V671 WeakPolarHBondContact CG-O 3.2Å; R616-V671 PolarHBondContact NH1-O 2.74Å; R616-V672 CarbonylContact O-C 3.51Å; R616-V672 WeakPolarHBondContact O-CA 3.5Å; R616-G673 PolarHBondContact N-O 2.87Å; R616-G673 PolarHBondContact O-N 2.8Å |
| 617 | D | 93.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | -92.7 | 174 | 172.3 | 74.8 | 11.5 | 0 | 0 | 0 | 113.7 | Y619 N620 N621 L719 P724 L725 | D617-Y619 PolarHBondContact O-N 3.04Å; D617-Y619 VanDerWaalsContact OD1-CA 3.3Å; D617-Y619 WeakPolarHBondContact OD1-CA 3.34Å; D617-Y619 PolarHBondContact OD1-N 3.19Å; D617-N620 PolarHBondContact O-N 2.78Å; D617-N620 PolarHBondContact OD1-N 2.82Å; D617-N621 PolarHBondContact N-O 3.5Å; D617-N621 PolarHBondContact OD1-N 2.79Å; D617-N621 WeakPolarHBondContact OD2-CB 3Å; D617-N621 PolarHBondContact OD2-ND2 3.37Å; D617-L719 HydrophobicContact CB-CD2 3.5Å; D617-P724 WeakPolarHBondContact OD2-CA 3.46Å; D617-L725 HydrophobicContact CB-CB 4.1Å; D617-L725 PolarHBondContact OD2-N 2.89Å | ||
| 618 | A | 89.5 | Confident | 94.6 | Very high | 36 Ų | 36 | 11 Ų | 11 | 30% | 0.298 | 6% | 0.056 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V672 | A618-V672 HydrophobicContact CB-CG1 4.31Å; A618-V672 HydrophobicContact CB-CG2 4.39Å |
| 619 | Y | 88.1 | Confident | 94.6 | Very high | 86 Ų | 86 | 10.2 Ų | 10.2 | 34% | 0.337 | 5% | 0.053 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 10.7 | -178.2 | -49.5 | -82.6 | 0 | 0 | 0 | 112.5 | R304 D617 N621 G722 P724 | R304-Y619 WeakPolarHBondContact CD-O 3.36Å; D617-Y619 PolarHBondContact O-N 3.04Å; D617-Y619 VanDerWaalsContact OD1-CA 3.3Å; D617-Y619 WeakPolarHBondContact OD1-CA 3.34Å; D617-Y619 PolarHBondContact OD1-N 3.19Å; Y619-N621 VanDerWaalsContact C-N 3.33Å; Y619-N621 PolarHBondContact O-N 2.87Å; Y619-G722 VanDerWaalsContact CE2-O 3.25Å; Y619-G722 WeakPolarHBondContact CE2-O 3.4Å; Y619-G722 PolarHBondContact OH-O 3.43Å; Y619-P724 HydrophobicContact CD2-CB 3.84Å; Y619-P724 HydrophobicContact CD2-CG 3.75Å; Y619-P724 HydrophobicContact CE2-CB 4.08Å; Y619-P724 HydrophobicContact CE2-CG 3.51Å |
| 620 | N | 88.7 | Confident | 94.6 | Very high | 33 Ų | 33 | 10.1 Ų | 10.1 | 18% | 0.176 | 5% | 0.053 | C | C | . | . | trans | 71.7 | 16.6 | 175.3 | -157.7 | 39.5 | 0 | 0 | 0 | 115.3 | R304 R616 D617 C622 R667 | R304-N620 PolarHBondContact NH2-ND2 3.07Å; R304-N620 PolarHBondContact NH2-O 2.79Å; R616-N620 PolarHBondContact NE-OD1 2.93Å; R616-N620 PolarHBondContact NH2-OD1 2.8Å; D617-N620 PolarHBondContact O-N 2.78Å; D617-N620 PolarHBondContact OD1-N 2.82Å; N620-C622 PolarHBondContact O-N 2.95Å; N620-R667 WeakPolarHBondContact OD1-CG 3.19Å | ||
| 621 | N | 93 | Very high | 94.6 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | trans | -70.7 | 123.6 | 161.8 | -55.6 | -56.7 | 0 | 0 | 0 | 107.4 | C305 R616 D617 Y619 L725 P726 | C305-N621 PolarHBondContact N-OD1 3.35Å; R616-N621 VanDerWaalsContact CA-O 3.31Å; R616-N621 WeakPolarHBondContact CA-O 3.32Å; D617-N621 PolarHBondContact N-O 3.5Å; D617-N621 PolarHBondContact OD1-N 2.79Å; D617-N621 WeakPolarHBondContact OD2-CB 3Å; D617-N621 PolarHBondContact OD2-ND2 3.37Å; Y619-N621 VanDerWaalsContact C-N 3.33Å; Y619-N621 PolarHBondContact O-N 2.87Å; N621-L725 HydrophobicContact CB-CB 4.26Å; N621-P726 WeakPolarHBondContact ND2-CD 3.31Å | ||
| 622 | C | 94.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 10.6 Ų | 10.6 | 4% | 0.041 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 124.4 | -169 | -164.8 | 0 | 0 | 0 | 0 | 108.8 | V615 R616 N620 L663 R667 | V615-C622 CarbonylContact O-C 3.56Å; V615-C622 VanDerWaalsContact O-CA 3.29Å; V615-C622 WeakPolarHBondContact O-CA 3.16Å; R616-C622 HydrophobicContact CB-CB 4.26Å; R616-C622 HydrophobicContact CG-CB 4.01Å; N620-C622 PolarHBondContact O-N 2.95Å; C622-L663 HydrophobicContact CB-CD2 4.12Å; C622-L663 VanDerWaalsContact SG-CD2 3.53Å; C622-R667 HydrophobicContact CB-CG 4.48Å |
| 623 | I | 95.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.3 | -173.4 | 57.8 | 163.3 | 0 | 0 | 0 | 110.8 | M307 V614 V615 V625 L725 F740 E741 | M307-I623 HydrophobicContact CE-CG2 3.84Å; M307-I623 HydrophobicContact CG-CG2 4.07Å; M307-I623 HydrophobicContact SD-CG2 3.94Å; V614-I623 WeakPolarHBondContact CA-O 3.47Å; V614-I623 WeakPolarHBondContact CG1-O 3.29Å; V615-I623 HydrophobicContact CB-CD1 4.45Å; V615-I623 HydrophobicContact CB-CG1 4.02Å; V615-I623 PolarHBondContact N-O 3.26Å; V615-I623 PolarHBondContact O-N 2.9Å; I623-V625 HydrophobicContact CD1-CG2 4.06Å; I623-V625 HydrophobicContact CG1-CG2 4.44Å; I623-L725 HydrophobicContact CD1-CD2 3.82Å; I623-L725 HydrophobicContact CG1-CD2 3.82Å; I623-F740 WeakPolarHBondContact CD1-O 3.47Å; I623-E741 HydrophobicContact CB-CG 3.96Å; I623-E741 HydrophobicContact CG2-CG 4.42Å |
| 624 | T | 95.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 12.5 Ų | 12.5 | 2% | 0.018 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.8 | 170.5 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | Y612 E613 V614 R659 A662 L663 E741 | Y612-T624 HydrophobicContact CD1-CG2 3.96Å; E613-T624 CarbonylContact O-C 3.59Å; E613-T624 VanDerWaalsContact O-CA 3.29Å; E613-T624 WeakPolarHBondContact O-CA 3.21Å; V614-T624 HydrophobicContact CG2-CG2 4.24Å; T624-R659 HydrophobicContact CG2-CG 3.72Å; T624-A662 HydrophobicContact CG2-CB 4.41Å; T624-L663 HydrophobicContact CG2-CD2 3.92Å; T624-L663 HydrophobicContact CG2-CG 4.3Å; T624-E741 PolarHBondContact N-OE1 3.18Å; T624-E741 VanDerWaalsContact O-CB 3.25Å; T624-E741 WeakPolarHBondContact O-CB 3.39Å; T624-E741 WeakPolarHBondContact O-CG 3.47Å; T624-E741 VanDerWaalsContact OG1-CD 3.22Å; T624-E741 PolarHBondContact OG1-OE1 3.03Å; T624-E741 PolarHBondContact OG1-OE2 2.84Å |
| 625 | V | 94.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.018 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -38.3 | -171.9 | 176.5 | 0 | 0 | 0 | 0 | 112.8 | E613 V615 I623 Y710 L712 P742 | E613-V625 PolarHBondContact O-N 3.06Å; V615-V625 HydrophobicContact CB-CG2 4.26Å; V615-V625 HydrophobicContact CG2-CG2 3.59Å; I623-V625 HydrophobicContact CD1-CG2 4.06Å; I623-V625 HydrophobicContact CG1-CG2 4.44Å; V625-Y710 HydrophobicContact CG1-CD1 3.75Å; V625-Y710 HydrophobicContact CG1-CD2 4.17Å; V625-Y710 HydrophobicContact CG1-CE1 4.43Å; V625-Y710 HydrophobicContact CG1-CG 3.59Å; V625-Y710 HydrophobicContact CG2-CD1 4.15Å; V625-Y710 HydrophobicContact CG2-CE1 4Å; V625-Y710 HydrophobicContact CG2-CE2 4.45Å; V625-Y710 HydrophobicContact CG2-CG 4.44Å; V625-L712 HydrophobicContact CB-CD2 3.97Å; V625-L712 HydrophobicContact CG1-CD1 4.48Å; V625-L712 HydrophobicContact CG1-CD2 3.88Å; V625-L712 HydrophobicContact CG1-CG 4.27Å; V625-L712 HydrophobicContact CG2-CD2 3.82Å; V625-P742 HydrophobicContact CG1-CG 3.92Å; V625-P742 WeakPolarHBondContact O-CD 3.24Å; V625-P742 VanDerWaalsContact O-CG 3.3Å; V625-P742 WeakPolarHBondContact O-CG 3.23Å |
| 626 | C | 94.6 | Very high | 93.6 | Very high | 7 Ų | 7 | 13.4 Ų | 13.4 | 5% | 0.047 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 143.2 | -177.7 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | Y612 E613 M628 A704 T708 | Y612-C626 WeakPolarHBondContact CA-O 3.5Å; E613-C626 HydrophobicContact CB-CB 4.05Å; E613-C626 PolarHBondContact N-O 2.84Å; C626-M628 HydrophobicContact CB-CE 4.39Å; C626-A704 HydrophobicContact CB-CB 3.57Å; C626-T708 HydrophobicContact CB-CG2 3.9Å |
| 627 | N | 95 | Very high | 93.4 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.8 | 171.2 | 99.7 | -70.6 | 0 | 0 | 0 | 109.1 | E611 Y612 P646 S647 Y655 | E611-N627 WeakPolarHBondContact O-CA 3.18Å; Y612-N627 HydrophobicContact CD1-CB 4.02Å; Y612-N627 HydrophobicContact CE1-CB 3.64Å; Y612-N627 HydrophobicContact CE2-CB 4.26Å; Y612-N627 HydrophobicContact CG-CB 4.48Å; N627-P646 WeakPolarHBondContact O-CA 3.32Å; N627-P646 WeakPolarHBondContact OD1-CA 3.25Å; N627-P646 WeakPolarHBondContact OD1-CB 3.35Å; N627-S647 WeakPolarHBondContact ND2-CB 3.11Å; N627-S647 PolarHBondContact ND2-N 2.87Å; N627-S647 PolarHBondContact ND2-OG 2.88Å; N627-S647 PolarHBondContact OD1-N 3.09Å; N627-Y655 HydrophobicContact CB-CE2 3.94Å; N627-Y655 VanDerWaalsContact CG-CE2 3.41Å |
| 628 | M | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.9 | -171.4 | -73.7 | 170.6 | -85.9 | 0 | 0 | 110.2 | V610 E611 C626 V643 V644 A645 L703 A704 | V610-M628 WeakPolarHBondContact CA-O 3.26Å; V610-M628 WeakPolarHBondContact CG1-O 3.46Å; E611-M628 HydrophobicContact CB-CB 4.18Å; E611-M628 HydrophobicContact CB-CE 4.45Å; E611-M628 HydrophobicContact CG-CB 4.43Å; E611-M628 PolarHBondContact N-O 3.05Å; E611-M628 PolarHBondContact O-N 2.82Å; C626-M628 HydrophobicContact CB-CE 4.39Å; M628-V643 HydrophobicContact CB-CG1 3.72Å; M628-V643 HydrophobicContact CG-CG1 4.04Å; M628-V643 HydrophobicContact SD-CG1 4.19Å; M628-V644 WeakPolarHBondContact CA-O 3Å; M628-A645 HydrophobicContact CG-CB 4.02Å; M628-L703 HydrophobicContact SD-CD2 3.96Å; M628-A704 HydrophobicContact CE-CB 4.09Å |
| 629 | E | 97.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.6 | 173.7 | -177.6 | 177.6 | 178.4 | 0 | 0 | 109.9 | V644 Q648 T649 F851 | E629-V644 PolarHBondContact N-O 2.93Å; E629-V644 PolarHBondContact O-N 3.01Å; E629-Q648 PolarHBondContact OE2-N 2.92Å; E629-T649 VanDerWaalsContact CD-OG1 3.29Å; E629-T649 WeakPolarHBondContact OE1-CB 3.36Å; E629-T649 WeakPolarHBondContact OE1-CG2 3.36Å; E629-T649 PolarHBondContact OE1-OG1 2.9Å; E629-T649 PolarHBondContact OE2-N 3.48Å; E629-T649 PolarHBondContact OE2-OG1 2.92Å; E629-F851 HydrophobicContact CG-CE2 4.43Å; E629-F851 HydrophobicContact CG-CZ 4.33Å |
| 630 | N | 97.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 9.1 Ų | 9.1 | 3% | 0.032 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 129.8 | 174.3 | -70.9 | 6.3 | 0 | 0 | 0 | 109.6 | E609 D632 T638 S641 V643 | E609-N630 HydrophobicContact CB-CB 4.03Å; E609-N630 WeakPolarHBondContact CG-ND2 3Å; E609-N630 PolarHBondContact O-N 3.31Å; E609-N630 PolarHBondContact OE2-ND2 2.89Å; N630-D632 VanDerWaalsContact C-N 3.32Å; N630-D632 VanDerWaalsContact CB-O 3.31Å; N630-D632 WeakPolarHBondContact CB-O 3.49Å; N630-T638 PolarHBondContact ND2-OG1 3.07Å; N630-T638 VanDerWaalsContact ND2-OG1 3.1Å; N630-S641 WeakPolarHBondContact CB-OG 3.38Å; N630-V643 WeakPolarHBondContact OD1-CG2 3.38Å |
| 631 | F | 96.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 7.6 Ų | 7.6 | 1% | 0.013 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -62.4 | -43.2 | 170.7 | 166.6 | -88.8 | 0 | 0 | 0 | 110.7 | I642 F783 I828 I847 F851 L855 | F631-I642 HydrophobicContact CB-CB 3.76Å; F631-I642 HydrophobicContact CB-CG2 3.86Å; F631-I642 WeakPolarHBondContact CB-O 3.17Å; F631-I642 HydrophobicContact CD1-CB 4.21Å; F631-I642 HydrophobicContact CD1-CD1 4.34Å; F631-I642 HydrophobicContact CG-CB 4.16Å; F631-I642 HydrophobicContact CG-CG2 4.3Å; F631-I642 PolarHBondContact N-O 3.25Å; F631-F783 HydrophobicContact CD2-CZ 4.49Å; F631-I828 HydrophobicContact CE1-CD1 4.37Å; F631-I828 HydrophobicContact CZ-CD1 4.12Å; F631-I847 HydrophobicContact CD1-CD1 4.39Å; F631-I847 HydrophobicContact CD2-CG2 4.42Å; F631-I847 HydrophobicContact CE1-CD1 3.52Å; F631-I847 HydrophobicContact CE1-CG1 4.2Å; F631-I847 HydrophobicContact CE1-CG2 4.4Å; F631-I847 HydrophobicContact CE2-CG2 4.04Å; F631-I847 HydrophobicContact CZ-CD1 3.75Å; F631-I847 HydrophobicContact CZ-CG1 4.49Å; F631-I847 HydrophobicContact CZ-CG2 4.01Å; F631-F851 HydrophobicContact CD2-CB 3.75Å; F631-F851 AromaticContact CD2-CD1 3.9Å; F631-F851 HydrophobicContact CD2-CD1 3.9Å; F631-F851 HydrophobicContact CD2-CD2 4.23Å; F631-F851 AromaticContact CD2-CG 3.71Å; F631-F851 HydrophobicContact CD2-CG 3.71Å; F631-F851 HydrophobicContact CE2-CB 3.72Å; F631-F851 HydrophobicContact CE2-CG 4.22Å; F631-L855 HydrophobicContact CE2-CD1 3.75Å; F631-L855 HydrophobicContact CZ-CD1 3.79Å |
| 632 | D | 96 | Very high | 93.8 | Very high | 6 Ų | 6 | 7.6 Ų | 7.6 | 3% | 0.032 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -79.7 | 136.8 | 173.6 | -59.8 | -74 | 0 | 0 | 0 | 110.1 | N630 I636 S641 I642 R824 | N630-D632 VanDerWaalsContact C-N 3.32Å; N630-D632 VanDerWaalsContact CB-O 3.31Å; N630-D632 WeakPolarHBondContact CB-O 3.49Å; D632-I636 HydrophobicContact CB-CB 4.3Å; D632-I636 HydrophobicContact CB-CD1 3.59Å; D632-S641 WeakPolarHBondContact CB-OG 3.44Å; D632-S641 PolarHBondContact N-OG 3.2Å; D632-S641 PolarHBondContact OD2-OG 2.97Å; D632-I642 PolarHBondContact OD2-N 3.46Å; D632-R824 WeakPolarHBondContact OD1-CD 3.36Å; D632-R824 IonicContact OD1-CZ 3.87Å; D632-R824 IonicContact OD1-NE 3.32Å; D632-R824 IonicContact OD1-NH1 3.48Å; D632-R824 PolarHBondContact OD1-NH1 3.36Å |
| 633 | P | 93.7 | Very high | 93.9 | Very high | 15 Ų | 15 | 7.4 Ų | 7.4 | 10% | 0.097 | 4% | 0.044 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 161.5 | 175.4 | 31.9 | -36.5 | 0 | 0 | 0 | 111.1 | G635 T845 N846 | P633-G635 PolarHBondContact O-N 3.45Å; P633-T845 VanDerWaalsContact CG-O 3.3Å; P633-T845 WeakPolarHBondContact CG-O 3.41Å; P633-N846 HydrophobicContact CB-CB 4.12Å; P633-N846 HydrophobicContact CG-CB 3.74Å |
| 634 | L | 92 | Very high | 94 | Very high | 25 Ų | 25 | 7.3 Ų | 7.3 | 13% | 0.131 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 133.4 | 179.6 | -174.4 | 63.1 | 0 | 0 | 0 | 111.1 | L604 K605 G606 W607 E609 A680 I691 | L604-L634 HydrophobicContact CB-CD2 3.52Å; K605-L634 CarbonylContact C-O 3.56Å; K605-L634 VanDerWaalsContact CA-O 3.26Å; K605-L634 WeakPolarHBondContact CA-O 3.39Å; G606-L634 PolarHBondContact N-O 3.41Å; W607-L634 HydrophobicContact CB-CB 4.38Å; W607-L634 WeakPolarHBondContact O-CB 3.47Å; W607-L634 PolarHBondContact O-N 3.04Å; E609-L634 HydrophobicContact CB-CB 4.42Å; E609-L634 HydrophobicContact CB-CD1 4.49Å; E609-L634 HydrophobicContact CG-CD1 4.27Å; E609-L634 WeakPolarHBondContact OE1-CD1 3.41Å; L634-A680 HydrophobicContact CD2-CB 3.56Å; L634-I691 HydrophobicContact CD1-CD1 3.74Å; L634-I691 HydrophobicContact CD2-CD1 4.16Å |
| 635 | G | 88.5 | Confident | 94.1 | Very high | 12 Ų | 12 | 7.3 Ų | 7.3 | 12% | 0.124 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 131.7 | -21.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F577 P633 G767 S768 | F577-G635 WeakPolarHBondContact CE2-O 3.3Å; P633-G635 PolarHBondContact O-N 3.45Å; G635-G767 CarbonylContact O-C 3.54Å; G635-G767 WeakPolarHBondContact O-CA 3Å; G635-S768 PolarHBondContact O-N 3.35Å |
| 636 | I | 91.7 | Very high | 94.1 | Very high | 7 Ų | 7 | 7.2 Ų | 7.2 | 4% | 0.036 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -110.6 | 131.8 | 168.7 | -66.5 | 157.9 | 0 | 0 | 0 | 106.7 | D632 E640 I766 P820 R824 | D632-I636 HydrophobicContact CB-CB 4.3Å; D632-I636 HydrophobicContact CB-CD1 3.59Å; I636-E640 HydrophobicContact CG2-CB 3.58Å; I636-I766 HydrophobicContact CD1-CD1 4.21Å; I636-I766 HydrophobicContact CD1-CG1 4.4Å; I636-I766 HydrophobicContact CG1-CG1 4.38Å; I636-I766 HydrophobicContact CG2-CD1 4.28Å; I636-P820 HydrophobicContact CD1-CB 3.84Å; I636-P820 HydrophobicContact CD1-CG 3.74Å; I636-P820 HydrophobicContact CG1-CG 4.05Å; I636-R824 VanDerWaalsContact CD1-NH1 3.33Å |
| 637 | H | 90.2 | Very high | 94.2 | Very high | 44 Ų | 44 | 7.1 Ų | 7.1 | 20% | 0.204 | 4% | 0.042 | C | C | . | . | trans | -60.4 | 140.6 | 178.2 | -173.9 | -70.8 | 0 | 0 | 0 | 110.1 | G639 E640 S641 G767 S768 M770 | H637-G639 PolarHBondContact ND1-N 2.78Å; H637-G639 PolarHBondContact O-N 3.13Å; H637-G639 VanDerWaalsContact O-N 3.14Å; H637-E640 HydrophobicContact CB-CB 4.45Å; H637-E640 HydrophobicContact CB-CG 4.1Å; H637-E640 CarbonylContact O-C 3.52Å; H637-E640 VanDerWaalsContact O-CA 3.3Å; H637-E640 WeakPolarHBondContact O-CA 3.49Å; H637-E640 VanDerWaalsContact O-CB 3.31Å; H637-E640 WeakPolarHBondContact O-CB 3.28Å; H637-E640 PolarHBondContact O-N 2.88Å; H637-S641 PolarHBondContact O-N 3.38Å; H637-G767 PolarHBondContact N-O 3.2Å; H637-S768 PolarHBondContact CD2-O 2.89Å; H637-M770 HydrophobicContact CB-CG 4.39Å; H637-M770 WeakPolarHBondContact CE1-CG 3.38Å; H637-M770 PolarHBondContact CE1-SD 3.12Å; H637-M770 VanDerWaalsContact ND1-CG 3.28Å; H637-M770 WeakPolarHBondContact ND1-CG 3.41Å | ||
| 638 | T | 88.5 | Confident | 94.2 | Very high | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.018 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | -51.4 | -42.9 | 179 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | E609 E611 N630 E640 S641 V643 K750 | E609-T638 PolarHBondContact OE1-OG1 2.96Å; E611-T638 VanDerWaalsContact CD-CG2 3.43Å; E611-T638 WeakPolarHBondContact OE1-CB 3.5Å; E611-T638 WeakPolarHBondContact OE1-CG2 3.3Å; E611-T638 PolarHBondContact OE1-OG1 3.47Å; N630-T638 PolarHBondContact ND2-OG1 3.07Å; N630-T638 VanDerWaalsContact ND2-OG1 3.1Å; T638-E640 PolarHBondContact O-N 3.23Å; T638-E640 VanDerWaalsContact O-N 3.08Å; T638-S641 PolarHBondContact O-N 3.36Å; T638-V643 HydrophobicContact CG2-CG2 3.82Å; T638-K750 PolarHBondContact O-NZ 3.44Å |
| 639 | G | 88.9 | Confident | 94.1 | Very high | 8 Ų | 8 | 7 Ų | 7 | 8% | 0.082 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | -57.1 | -16.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | H637 P752 S772 | H637-G639 PolarHBondContact ND1-N 2.78Å; H637-G639 PolarHBondContact O-N 3.13Å; H637-G639 VanDerWaalsContact O-N 3.14Å; G639-P752 WeakPolarHBondContact O-CG 3.14Å; G639-S772 PolarHBondContact O-OG 3.28Å |
| 640 | E | 91.1 | Very high | 94 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | -105.4 | -9.8 | 172.3 | -58.8 | -67 | 111.2 | 0 | 0 | 112.8 | I636 H637 T638 W754 M770 K771 S772 | I636-E640 HydrophobicContact CG2-CB 3.58Å; H637-E640 HydrophobicContact CB-CB 4.45Å; H637-E640 HydrophobicContact CB-CG 4.1Å; H637-E640 CarbonylContact O-C 3.52Å; H637-E640 VanDerWaalsContact O-CA 3.3Å; H637-E640 WeakPolarHBondContact O-CA 3.49Å; H637-E640 VanDerWaalsContact O-CB 3.31Å; H637-E640 WeakPolarHBondContact O-CB 3.28Å; H637-E640 PolarHBondContact O-N 2.88Å; T638-E640 PolarHBondContact O-N 3.23Å; T638-E640 VanDerWaalsContact O-N 3.08Å; E640-W754 HydrophobicContact CB-CZ2 4.45Å; E640-W754 WeakPolarHBondContact O-CZ2 3.3Å; E640-W754 PolarHBondContact OE2-NE1 3.01Å; E640-M770 WeakPolarHBondContact OE1-CA 3.42Å; E640-K771 PolarHBondContact OE1-N 2.61Å; E640-K771 PolarHBondContact OE2-N 3.1Å; E640-S772 VanDerWaalsContact OE1-CB 3.25Å; E640-S772 WeakPolarHBondContact OE1-CB 3.42Å; E640-S772 PolarHBondContact OE1-N 3.17Å; E640-S772 PolarHBondContact OE1-OG 2.83Å; E640-S772 VanDerWaalsContact OE1-OG 3.13Å |
| 641 | S | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -90.2 | 150.7 | -178.5 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | N630 D632 H637 T638 K750 P752 | N630-S641 WeakPolarHBondContact CB-OG 3.38Å; D632-S641 WeakPolarHBondContact CB-OG 3.44Å; D632-S641 PolarHBondContact N-OG 3.2Å; D632-S641 PolarHBondContact OD2-OG 2.97Å; H637-S641 PolarHBondContact O-N 3.38Å; T638-S641 PolarHBondContact O-N 3.36Å; S641-K750 PolarHBondContact O-NZ 3.31Å; S641-P752 WeakPolarHBondContact O-CD 3.46Å; S641-P752 WeakPolarHBondContact O-CG 3.11Å |
| 642 | I | 97.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 7.2 Ų | 7.2 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | trans | -70.7 | 129.3 | 161.7 | -61.2 | -179.5 | 0 | 0 | 0 | 107.6 | F631 D632 V749 K750 I751 F787 P825 | F631-I642 HydrophobicContact CB-CB 3.76Å; F631-I642 HydrophobicContact CB-CG2 3.86Å; F631-I642 WeakPolarHBondContact CB-O 3.17Å; F631-I642 HydrophobicContact CD1-CB 4.21Å; F631-I642 HydrophobicContact CD1-CD1 4.34Å; F631-I642 HydrophobicContact CG-CB 4.16Å; F631-I642 HydrophobicContact CG-CG2 4.3Å; F631-I642 PolarHBondContact N-O 3.25Å; D632-I642 PolarHBondContact OD2-N 3.46Å; I642-V749 HydrophobicContact CG2-CG1 3.91Å; I642-K750 VanDerWaalsContact CA-O 3.3Å; I642-K750 WeakPolarHBondContact CA-O 3.4Å; I642-K750 WeakPolarHBondContact CG2-O 3.33Å; I642-I751 HydrophobicContact CD1-CD1 4.08Å; I642-I751 HydrophobicContact CD1-CG1 4.11Å; I642-I751 HydrophobicContact CD1-CG2 4.37Å; I642-I751 HydrophobicContact CG1-CB 4.44Å; I642-I751 HydrophobicContact CG1-CD1 4.48Å; I642-I751 HydrophobicContact CG1-CG1 3.97Å; I642-I751 HydrophobicContact CG1-CG2 4.11Å; I642-I751 HydrophobicContact CG2-CG1 4.09Å; I642-F787 HydrophobicContact CD1-CE2 3.84Å; I642-F787 HydrophobicContact CD1-CZ 4.38Å; I642-F787 HydrophobicContact CG2-CE2 4.35Å; I642-P825 HydrophobicContact CD1-CG 3.81Å | ||
| 643 | V | 97.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.012 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.4 | -175.5 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | M628 N630 T638 L703 V749 K750 | M628-V643 HydrophobicContact CB-CG1 3.72Å; M628-V643 HydrophobicContact CG-CG1 4.04Å; M628-V643 HydrophobicContact SD-CG1 4.19Å; N630-V643 WeakPolarHBondContact OD1-CG2 3.38Å; T638-V643 HydrophobicContact CG2-CG2 3.82Å; V643-L703 HydrophobicContact CG1-CD2 4.42Å; V643-V749 WeakPolarHBondContact O-CA 3.44Å; V643-K750 HydrophobicContact CB-CB 4.27Å; V643-K750 HydrophobicContact CG2-CD 4.5Å; V643-K750 PolarHBondContact N-O 3.37Å; V643-K750 PolarHBondContact O-N 2.8Å |
| 644 | V | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.1 | -178.9 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | M628 E629 P646 Q648 V748 V749 F783 F851 | M628-V644 WeakPolarHBondContact CA-O 3Å; E629-V644 PolarHBondContact N-O 2.93Å; E629-V644 PolarHBondContact O-N 3.01Å; V644-P646 CarbonylContact C-O 3.55Å; V644-Q648 HydrophobicContact CB-CG 4.35Å; V644-Q648 HydrophobicContact CG1-CG 3.6Å; V644-V748 WeakPolarHBondContact CA-O 3.49Å; V644-V749 HydrophobicContact CG1-CG2 4.49Å; V644-V749 HydrophobicContact CG2-CG2 4.39Å; V644-F783 HydrophobicContact CG1-CD2 4.37Å; V644-F783 HydrophobicContact CG2-CD2 4.39Å; V644-F783 HydrophobicContact CG2-CE2 3.85Å; V644-F851 HydrophobicContact CB-CE1 4.46Å; V644-F851 HydrophobicContact CG2-CE1 3.83Å; V644-F851 HydrophobicContact CG2-CZ 4.26Å |
| 645 | A | 96.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 2% | 0.017 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M628 L744 V748 | M628-A645 HydrophobicContact CG-CB 4.02Å; A645-L744 HydrophobicContact CB-CD1 4.37Å; A645-V748 HydrophobicContact CB-CB 4.29Å; A645-V748 PolarHBondContact N-O 3.44Å; A645-V748 PolarHBondContact O-N 3.49Å |
| 646 | P | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.013 | 5% | 0.051 | C | C | . | . | S | Bend | cis | -68.7 | -178.3 | -7 | 32.9 | -35 | 0 | 0 | 0 | 111.6 | M44 Y65 N627 V644 Q648 | M44-P646 HydrophobicContact CB-CG 4.36Å; M44-P646 HydrophobicContact CE-CB 4.19Å; M44-P646 HydrophobicContact CG-CG 4.4Å; M44-P646 HydrophobicContact SD-CB 3.56Å; M44-P646 VanDerWaalsContact SD-CB 3.56Å; M44-P646 HydrophobicContact SD-CG 3.73Å; Y65-P646 HydrophobicContact CD2-CG 4.22Å; Y65-P646 HydrophobicContact CE1-CG 4.45Å; Y65-P646 HydrophobicContact CE2-CG 3.56Å; N627-P646 WeakPolarHBondContact O-CA 3.32Å; N627-P646 WeakPolarHBondContact OD1-CA 3.25Å; N627-P646 WeakPolarHBondContact OD1-CB 3.35Å; V644-P646 CarbonylContact C-O 3.55Å; P646-Q648 PolarHBondContact O-NE2 3.03Å |
| 647 | S | 95.5 | Very high | 94 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 3% | 0.028 | 6% | 0.058 | C | C | . | . | trans | -58.5 | 143.1 | 168.4 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | N627 | N627-S647 WeakPolarHBondContact ND2-CB 3.11Å; N627-S647 PolarHBondContact ND2-N 2.87Å; N627-S647 PolarHBondContact ND2-OG 2.88Å; N627-S647 PolarHBondContact OD1-N 3.09Å | ||
| 648 | Q | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -106.5 | -13.5 | -175.2 | -57.2 | -58.1 | -51.4 | 0 | 0 | 114 | Y65 N70 E629 V644 P646 W850 F851 | Y65-Q648 PolarHBondContact OH-NE2 2.9Å; Y65-Q648 PolarHBondContact OH-OE1 3.38Å; N70-Q648 VanDerWaalsContact CB-O 3.3Å; N70-Q648 WeakPolarHBondContact CB-O 3.35Å; N70-Q648 PolarHBondContact ND2-O 2.98Å; E629-Q648 PolarHBondContact OE2-N 2.92Å; V644-Q648 HydrophobicContact CB-CG 4.35Å; V644-Q648 HydrophobicContact CG1-CG 3.6Å; P646-Q648 PolarHBondContact O-NE2 3.03Å; Q648-W850 HydrophobicContact CB-CD2 4.24Å; Q648-W850 HydrophobicContact CB-CE3 3.73Å; Q648-W850 HydrophobicContact CB-CH2 3.58Å; Q648-W850 HydrophobicContact CB-CZ2 4.08Å; Q648-W850 HydrophobicContact CB-CZ3 3.4Å; Q648-W850 VanDerWaalsContact CB-CZ3 3.4Å; Q648-W850 HydrophobicContact CG-CE3 4.38Å; Q648-W850 HydrophobicContact CG-CH2 3.57Å; Q648-W850 HydrophobicContact CG-CZ2 4.42Å; Q648-W850 HydrophobicContact CG-CZ3 3.56Å; Q648-F851 HydrophobicContact CB-CE1 4.32Å; Q648-F851 HydrophobicContact CB-CZ 4.32Å; Q648-F851 HydrophobicContact CG-CE1 4.24Å |
| 649 | T | 95 | Very high | 94.7 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.012 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -125 | 0.8 | -173.4 | 77.1 | 0 | 0 | 0 | 0 | 114.7 | K608 E629 D848 W850 F851 | K608-T649 PolarHBondContact NZ-OG1 2.97Å; E629-T649 VanDerWaalsContact CD-OG1 3.29Å; E629-T649 WeakPolarHBondContact OE1-CB 3.36Å; E629-T649 WeakPolarHBondContact OE1-CG2 3.36Å; E629-T649 PolarHBondContact OE1-OG1 2.9Å; E629-T649 PolarHBondContact OE2-N 3.48Å; E629-T649 PolarHBondContact OE2-OG1 2.92Å; T649-D848 HydrophobicContact CG2-CB 4.31Å; T649-W850 HydrophobicContact CG2-CB 3.92Å; T649-W850 HydrophobicContact CG2-CD2 4.48Å; T649-W850 HydrophobicContact CG2-CE3 4.45Å; T649-W850 HydrophobicContact CG2-CG 4.29Å; T649-F851 HydrophobicContact CG2-CE2 4.33Å |
| 650 | L | 95 | Very high | 95 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -82.4 | 133.6 | 179.2 | -55.9 | -174 | 0 | 0 | 0 | 111.5 | Y71 V610 E654 L658 L681 | Y71-L650 WeakPolarHBondContact CD1-O 3.46Å; V610-L650 HydrophobicContact CG1-CD1 3.79Å; V610-L650 HydrophobicContact CG2-CD1 4.09Å; V610-L650 HydrophobicContact CG2-CD2 4.17Å; L650-E654 HydrophobicContact CB-CB 4.37Å; L650-E654 HydrophobicContact CD2-CB 4.49Å; L650-L658 HydrophobicContact CD1-CD1 4.38Å; L650-L681 HydrophobicContact CD2-CD2 3.51Å | ||
| 651 | S | 93.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 11.6 Ų | 11.6 | 9% | 0.091 | 6% | 0.057 | C | C | . | . | trans | -70.2 | 160.9 | 164.7 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | R653 E654 Y655 | S651-R653 PolarHBondContact O-N 2.98Å; S651-E654 PolarHBondContact N-OE2 3.2Å; S651-E654 PolarHBondContact O-N 3.04Å; S651-E654 VanDerWaalsContact O-N 3.14Å; S651-E654 WeakPolarHBondContact OG-CG 3.33Å; S651-E654 PolarHBondContact OG-N 3.33Å; S651-E654 PolarHBondContact OG-OE2 3.24Å; S651-Y655 WeakPolarHBondContact O-CB 3.49Å; S651-Y655 PolarHBondContact O-N 2.93Å | ||
| 652 | D | 92.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.011 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57 | -40.8 | 176.8 | -175 | 95.2 | 0 | 0 | 0 | 111.8 | V45 A358 G359 E654 Y655 Q656 | V45-D652 HydrophobicContact CB-CB 4.23Å; V45-D652 HydrophobicContact CG2-CB 4.17Å; V45-D652 WeakPolarHBondContact CG2-OD1 3.32Å; A358-D652 VanDerWaalsContact CA-OD2 3.31Å; A358-D652 WeakPolarHBondContact CA-OD2 3.38Å; G359-D652 PolarHBondContact N-OD2 3.45Å; D652-E654 PolarHBondContact O-N 3.02Å; D652-Y655 WeakPolarHBondContact O-CB 3.35Å; D652-Y655 PolarHBondContact O-N 2.98Å; D652-Q656 WeakPolarHBondContact O-CB 3.22Å; D652-Q656 WeakPolarHBondContact O-CG 3.39Å; D652-Q656 PolarHBondContact O-N 3.37Å; D652-Q656 WeakPolarHBondContact OD2-CG 3.18Å |
| 653 | R | 92.1 | Very high | 95.2 | Very high | 103 Ų | 103 | 11.4 Ų | 11.4 | 39% | 0.389 | 6% | 0.056 | S | C | . | . | H | α-helix | trans | -56.9 | -46.3 | 176.1 | -176.8 | 61.2 | 174.4 | -142.2 | 2.4 | 112.6 | S651 M657 E686 | S651-R653 PolarHBondContact O-N 2.98Å; R653-M657 WeakPolarHBondContact O-CB 3.42Å; R653-M657 PolarHBondContact O-N 3.15Å; R653-E686 WeakPolarHBondContact CG-OE1 3.3Å; R653-E686 IonicContact NE-OE1 3.29Å |
| 654 | E | 95.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.1 | -43.5 | 177.4 | -70.8 | 163.9 | 144.7 | 0 | 0 | 111.1 | H110 L650 S651 D652 Q656 M657 L658 L681 | H110-E654 IonicContact CD2-OE2 2.71Å; H110-E654 IonicContact NE2-OE1 2.66Å; H110-E654 PolarHBondContact NE2-OE1 3.3Å; H110-E654 IonicContact NE2-OE2 2.85Å; H110-E654 PolarHBondContact NE2-OE2 2.91Å; H110-E654 VanDerWaalsContact NE2-OE2 3.09Å; L650-E654 HydrophobicContact CB-CB 4.37Å; L650-E654 HydrophobicContact CD2-CB 4.49Å; S651-E654 PolarHBondContact N-OE2 3.2Å; S651-E654 PolarHBondContact O-N 3.04Å; S651-E654 VanDerWaalsContact O-N 3.14Å; S651-E654 WeakPolarHBondContact OG-CG 3.33Å; S651-E654 PolarHBondContact OG-N 3.33Å; S651-E654 PolarHBondContact OG-OE2 3.24Å; D652-E654 PolarHBondContact O-N 3.02Å; E654-Q656 PolarHBondContact O-N 2.98Å; E654-M657 PolarHBondContact O-N 3.06Å; E654-L658 WeakPolarHBondContact O-CG 3.41Å; E654-L658 PolarHBondContact O-N 3.05Å; E654-L681 HydrophobicContact CB-CD2 4.29Å; E654-L681 HydrophobicContact CG-CD2 4.26Å |
| 655 | Y | 94.9 | Very high | 95 | Very high | 17 Ų | 17 | 15.3 Ų | 15.3 | 7% | 0.067 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.6 | -51.8 | 176.4 | -178.9 | -76 | 0 | 0 | 0 | 111.4 | V45 Y612 N627 S651 D652 L658 R659 | V45-Y655 HydrophobicContact CG1-CD2 4.33Å; V45-Y655 HydrophobicContact CG2-CD1 4.09Å; V45-Y655 HydrophobicContact CG2-CD2 4.08Å; V45-Y655 HydrophobicContact CG2-CG 3.81Å; Y612-Y655 HydrophobicContact CE1-CE2 4.48Å; Y612-Y655 WeakPolarHBondContact OH-CA 3.4Å; Y612-Y655 VanDerWaalsContact OH-CD2 3.23Å; Y612-Y655 WeakPolarHBondContact OH-CD2 3.32Å; Y612-Y655 VanDerWaalsContact OH-CG 3.31Å; Y612-Y655 PolarHBondContact OH-O 3.21Å; N627-Y655 HydrophobicContact CB-CE2 3.94Å; N627-Y655 VanDerWaalsContact CG-CE2 3.41Å; S651-Y655 WeakPolarHBondContact O-CB 3.49Å; S651-Y655 PolarHBondContact O-N 2.93Å; D652-Y655 WeakPolarHBondContact O-CB 3.35Å; D652-Y655 PolarHBondContact O-N 2.98Å; Y655-L658 PolarHBondContact O-N 2.99Å; Y655-R659 VanDerWaalsContact O-CB 3.27Å; Y655-R659 WeakPolarHBondContact O-CB 3.39Å; Y655-R659 PolarHBondContact O-N 2.89Å |
| 656 | Q | 93.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 15.2 Ų | 15.2 | 5% | 0.047 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -72.5 | -31.7 | -177.2 | -63 | -59.4 | -23.4 | 0 | 0 | 112.4 | G359 D652 E654 S660 | G359-Q656 VanDerWaalsContact O-CD 3.22Å; G359-Q656 VanDerWaalsContact O-CG 3.31Å; G359-Q656 WeakPolarHBondContact O-CG 3.41Å; G359-Q656 PolarHBondContact O-OE1 3.08Å; D652-Q656 WeakPolarHBondContact O-CB 3.22Å; D652-Q656 WeakPolarHBondContact O-CG 3.39Å; D652-Q656 PolarHBondContact O-N 3.37Å; D652-Q656 WeakPolarHBondContact OD2-CG 3.18Å; E654-Q656 PolarHBondContact O-N 2.98Å; Q656-S660 VanDerWaalsContact O-CB 3.26Å; Q656-S660 WeakPolarHBondContact O-CB 3.32Å; Q656-S660 PolarHBondContact O-N 2.98Å; Q656-S660 PolarHBondContact O-OG 2.82Å |
| 657 | M | 95.1 | Very high | 94.8 | Very high | 38 Ų | 38 | 19 Ų | 19 | 19% | 0.187 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61 | -50.4 | 172.1 | 177.6 | -172.9 | 72.3 | 0 | 0 | 111.2 | R653 E654 S660 T661 L681 E686 Y688 | R653-M657 WeakPolarHBondContact O-CB 3.42Å; R653-M657 PolarHBondContact O-N 3.15Å; E654-M657 PolarHBondContact O-N 3.06Å; M657-S660 PolarHBondContact O-N 3.43Å; M657-T661 WeakPolarHBondContact O-CB 3.33Å; M657-T661 PolarHBondContact O-N 3.4Å; M657-T661 PolarHBondContact O-OG1 3.32Å; M657-L681 HydrophobicContact CE-CD1 4.01Å; M657-E686 HydrophobicContact CE-CB 4.43Å; M657-E686 WeakPolarHBondContact CE-O 3.45Å; M657-E686 HydrophobicContact SD-CB 4.13Å; M657-Y688 HydrophobicContact CE-CD1 3.5Å; M657-Y688 HydrophobicContact CE-CE1 3.97Å; M657-Y688 HydrophobicContact CE-CG 4.42Å; M657-Y688 HydrophobicContact CG-CD1 4.49Å; M657-Y688 HydrophobicContact CG-CE1 3.99Å; M657-Y688 HydrophobicContact SD-CD1 3.89Å; M657-Y688 HydrophobicContact SD-CE1 3.8Å |
| 658 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.3 | -39.1 | 179.2 | -64.5 | -179.2 | 0 | 0 | 0 | 111.9 | V610 Y612 L650 E654 Y655 T661 A662 Y679 L681 Y688 | V610-L658 HydrophobicContact CB-CD1 4.12Å; V610-L658 HydrophobicContact CG1-CD1 3.86Å; V610-L658 HydrophobicContact CG2-CD1 4.36Å; Y612-L658 HydrophobicContact CD2-CB 4.32Å; Y612-L658 HydrophobicContact CE2-CB 3.67Å; Y612-L658 HydrophobicContact CE2-CD1 4.38Å; L650-L658 HydrophobicContact CD1-CD1 4.38Å; E654-L658 WeakPolarHBondContact O-CG 3.41Å; E654-L658 PolarHBondContact O-N 3.05Å; Y655-L658 PolarHBondContact O-N 2.99Å; L658-T661 PolarHBondContact O-N 3.06Å; L658-A662 WeakPolarHBondContact O-CB 3.41Å; L658-A662 PolarHBondContact O-N 2.65Å; L658-Y679 HydrophobicContact CB-CD2 4.33Å; L658-Y679 HydrophobicContact CB-CE2 4.18Å; L658-Y679 HydrophobicContact CD1-CD2 4.37Å; L658-Y679 HydrophobicContact CD1-CG 4.49Å; L658-Y679 HydrophobicContact CD2-CD1 3.78Å; L658-Y679 HydrophobicContact CD2-CD2 4.16Å; L658-Y679 HydrophobicContact CD2-CE1 4.15Å; L658-Y679 HydrophobicContact CD2-CE2 4.5Å; L658-Y679 HydrophobicContact CD2-CG 3.77Å; L658-Y679 PolarHBondContact O-OH 3.34Å; L658-L681 HydrophobicContact CD1-CD2 4.4Å; L658-Y688 HydrophobicContact CD2-CD1 4.15Å; L658-Y688 HydrophobicContact CD2-CD2 4.14Å; L658-Y688 HydrophobicContact CD2-CG 3.86Å |
| 659 | R | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.9 | -50.4 | 171.9 | -176.3 | -169.1 | 165.1 | -86.6 | -5.2 | 111.5 | P360 D362 Y612 T624 Y655 T661 A662 L663 E741 | P360-R659 VanDerWaalsContact CB-NH1 3.33Å; D362-R659 IonicContact OD1-CZ 3.59Å; D362-R659 IonicContact OD1-NH1 3.15Å; D362-R659 PolarHBondContact OD1-NH1 3.34Å; D362-R659 IonicContact OD1-NH2 3.19Å; D362-R659 IonicContact OD2-CZ 3.86Å; D362-R659 IonicContact OD2-NH1 3.96Å; D362-R659 IonicContact OD2-NH2 3.58Å; D362-R659 PolarHBondContact OD2-NH2 3.07Å; Y612-R659 HydrophobicContact CE1-CB 3.92Å; Y612-R659 HydrophobicContact CE1-CG 4.43Å; T624-R659 HydrophobicContact CG2-CG 3.72Å; Y655-R659 VanDerWaalsContact O-CB 3.27Å; Y655-R659 WeakPolarHBondContact O-CB 3.39Å; Y655-R659 PolarHBondContact O-N 2.89Å; R659-T661 VanDerWaalsContact C-N 3.31Å; R659-T661 PolarHBondContact O-N 2.96Å; R659-A662 VanDerWaalsContact O-CB 3.31Å; R659-A662 WeakPolarHBondContact O-CB 3.01Å; R659-A662 PolarHBondContact O-N 2.86Å; R659-A662 VanDerWaalsContact O-N 3.13Å; R659-L663 WeakPolarHBondContact O-CG 3.32Å; R659-L663 PolarHBondContact O-N 2.83Å; R659-E741 IonicContact CZ-OE1 3.1Å; R659-E741 IonicContact CZ-OE2 3.3Å; R659-E741 IonicContact NE-OE1 2.71Å; R659-E741 PolarHBondContact NE-OE1 3.33Å; R659-E741 IonicContact NE-OE2 3.81Å; R659-E741 PolarHBondContact NE-OE2 2.96Å; R659-E741 IonicContact NH2-OE1 3.69Å; R659-E741 PolarHBondContact NH2-OE1 3.43Å; R659-E741 IonicContact NH2-OE2 2.82Å |
| 660 | S | 94.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 22.5 Ų | 22.5 | 24% | 0.238 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | -177.6 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | Q656 M657 A662 L663 K664 | Q656-S660 VanDerWaalsContact O-CB 3.26Å; Q656-S660 WeakPolarHBondContact O-CB 3.32Å; Q656-S660 PolarHBondContact O-N 2.98Å; Q656-S660 PolarHBondContact O-OG 2.82Å; M657-S660 PolarHBondContact O-N 3.43Å; S660-A662 VanDerWaalsContact C-N 3.35Å; S660-L663 PolarHBondContact O-N 2.73Å; S660-K664 VanDerWaalsContact O-CB 3.31Å; S660-K664 WeakPolarHBondContact O-CB 3.29Å; S660-K664 PolarHBondContact O-N 3.39Å |
| 661 | T | 96.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 172.5 | -57 | 0 | 0 | 0 | 0 | 111.2 | E537 M657 L658 R659 L663 K664 V665 Y679 Y688 I690 | E537-T661 HydrophobicContact CG-CG2 4.34Å; E537-T661 WeakPolarHBondContact OE2-CG2 3.33Å; M657-T661 WeakPolarHBondContact O-CB 3.33Å; M657-T661 PolarHBondContact O-N 3.4Å; M657-T661 PolarHBondContact O-OG1 3.32Å; L658-T661 PolarHBondContact O-N 3.06Å; R659-T661 VanDerWaalsContact C-N 3.31Å; R659-T661 PolarHBondContact O-N 2.96Å; T661-L663 PolarHBondContact O-N 3.35Å; T661-K664 PolarHBondContact O-N 2.99Å; T661-V665 HydrophobicContact CG2-CG2 4.07Å; T661-V665 WeakPolarHBondContact O-CB 3.41Å; T661-V665 WeakPolarHBondContact O-CG2 3.46Å; T661-V665 PolarHBondContact O-N 2.68Å; T661-Y679 HydrophobicContact CG2-CE1 3.83Å; T661-Y688 HydrophobicContact CG2-CE2 3.82Å; T661-Y688 PolarHBondContact OG1-OH 3.02Å; T661-Y688 VanDerWaalsContact OG1-OH 3.06Å; T661-I690 HydrophobicContact CG2-CD1 4.11Å; T661-I690 HydrophobicContact CG2-CG1 4.48Å |
| 662 | A | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.3 | -53.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V614 T624 L658 R659 S660 K664 V665 I666 I677 Y679 | V614-A662 HydrophobicContact CG2-CB 3.92Å; T624-A662 HydrophobicContact CG2-CB 4.41Å; L658-A662 WeakPolarHBondContact O-CB 3.41Å; L658-A662 PolarHBondContact O-N 2.65Å; R659-A662 VanDerWaalsContact O-CB 3.31Å; R659-A662 WeakPolarHBondContact O-CB 3.01Å; R659-A662 PolarHBondContact O-N 2.86Å; R659-A662 VanDerWaalsContact O-N 3.13Å; S660-A662 VanDerWaalsContact C-N 3.35Å; A662-K664 VanDerWaalsContact C-N 3.3Å; A662-K664 PolarHBondContact O-N 2.81Å; A662-V665 PolarHBondContact O-N 2.54Å; A662-I666 WeakPolarHBondContact O-CB 3.46Å; A662-I666 VanDerWaalsContact O-CG1 3.22Å; A662-I666 WeakPolarHBondContact O-CG1 3.37Å; A662-I666 PolarHBondContact O-N 3.17Å; A662-I677 HydrophobicContact CB-CG2 3.68Å; A662-Y679 WeakPolarHBondContact CA-OH 3.27Å; A662-Y679 VanDerWaalsContact CB-OH 3.26Å; A662-Y679 WeakPolarHBondContact CB-OH 3.36Å; A662-Y679 PolarHBondContact N-OH 2.85Å |
| 663 | L | 95.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 179.1 | -61.1 | -179.1 | 0 | 0 | 0 | 112.1 | V614 C622 T624 R659 S660 T661 R667 | V614-L663 HydrophobicContact CG1-CD2 4.06Å; C622-L663 HydrophobicContact CB-CD2 4.12Å; C622-L663 VanDerWaalsContact SG-CD2 3.53Å; T624-L663 HydrophobicContact CG2-CD2 3.92Å; T624-L663 HydrophobicContact CG2-CG 4.3Å; R659-L663 WeakPolarHBondContact O-CG 3.32Å; R659-L663 PolarHBondContact O-N 2.83Å; S660-L663 PolarHBondContact O-N 2.73Å; T661-L663 PolarHBondContact O-N 3.35Å; L663-R667 VanDerWaalsContact O-CB 3.27Å; L663-R667 WeakPolarHBondContact O-CB 3.39Å; L663-R667 VanDerWaalsContact O-CD 3.31Å; L663-R667 WeakPolarHBondContact O-CD 3.22Å; L663-R667 WeakPolarHBondContact O-CG 3.48Å; L663-R667 PolarHBondContact O-N 2.92Å |
| 664 | K | 94.8 | Very high | 94.6 | Very high | 84 Ų | 84 | 18.2 Ų | 18.2 | 37% | 0.365 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -63.8 | -48.3 | 178.9 | -175.5 | -176.9 | 168.4 | -168.6 | 0 | 111.9 | I535 E537 S660 T661 A662 R667 H668 | I535-K664 HydrophobicContact CD1-CG 4.2Å; I535-K664 WeakPolarHBondContact O-CE 3.47Å; I535-K664 PolarHBondContact O-NZ 3.07Å; E537-K664 HydrophobicContact CG-CD 4.41Å; E537-K664 WeakPolarHBondContact OE1-CD 3.36Å; E537-K664 WeakPolarHBondContact OE1-CE 3.27Å; E537-K664 IonicContact OE1-NZ 3.33Å; E537-K664 PolarHBondContact OE1-NZ 2.81Å; S660-K664 VanDerWaalsContact O-CB 3.31Å; S660-K664 WeakPolarHBondContact O-CB 3.29Å; S660-K664 PolarHBondContact O-N 3.39Å; T661-K664 PolarHBondContact O-N 2.99Å; A662-K664 VanDerWaalsContact C-N 3.3Å; A662-K664 PolarHBondContact O-N 2.81Å; K664-R667 PolarHBondContact O-N 3.26Å; K664-H668 PolarHBondContact O-N 2.95Å; K664-H668 VanDerWaalsContact O-N 3.13Å |
| 665 | V | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.6 | -48.2 | -179.6 | 174 | 0 | 0 | 0 | 0 | 111 | I535 E537 T661 A662 R667 H668 F669 I677 I690 V693 | I535-V665 HydrophobicContact CD1-CB 4.49Å; I535-V665 HydrophobicContact CD1-CG2 3.96Å; E537-V665 HydrophobicContact CG-CG2 4.11Å; T661-V665 HydrophobicContact CG2-CG2 4.07Å; T661-V665 WeakPolarHBondContact O-CB 3.41Å; T661-V665 WeakPolarHBondContact O-CG2 3.46Å; T661-V665 PolarHBondContact O-N 2.68Å; A662-V665 PolarHBondContact O-N 2.54Å; V665-R667 VanDerWaalsContact C-N 3.32Å; V665-R667 PolarHBondContact O-N 2.6Å; V665-H668 WeakPolarHBondContact O-CB 3.22Å; V665-H668 PolarHBondContact O-N 3.16Å; V665-H668 VanDerWaalsContact O-N 3.08Å; V665-F669 HydrophobicContact CG1-CD2 3.71Å; V665-F669 HydrophobicContact CG1-CE2 3.59Å; V665-F669 WeakPolarHBondContact O-CD2 3.15Å; V665-F669 PolarHBondContact O-N 3.19Å; V665-I677 HydrophobicContact CB-CD1 4.02Å; V665-I677 HydrophobicContact CG1-CD1 3.91Å; V665-I677 HydrophobicContact CG2-CD1 4.27Å; V665-I690 HydrophobicContact CG2-CD1 3.61Å; V665-V693 HydrophobicContact CG1-CG2 3.96Å |
| 666 | I | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.6 | -35.5 | -178.6 | -63 | -43.2 | 0 | 0 | 0 | 112 | V614 R616 A662 G670 V671 C675 V693 | V614-I666 HydrophobicContact CB-CG1 4.08Å; V614-I666 HydrophobicContact CG1-CB 4.18Å; V614-I666 HydrophobicContact CG1-CG1 3.99Å; V614-I666 HydrophobicContact CG1-CG2 4.04Å; V614-I666 HydrophobicContact CG2-CG1 4.11Å; R616-I666 HydrophobicContact CB-CG2 4.21Å; A662-I666 WeakPolarHBondContact O-CB 3.46Å; A662-I666 VanDerWaalsContact O-CG1 3.22Å; A662-I666 WeakPolarHBondContact O-CG1 3.37Å; A662-I666 PolarHBondContact O-N 3.17Å; I666-G670 PolarHBondContact O-N 2.85Å; I666-V671 HydrophobicContact CG2-CB 3.81Å; I666-V671 HydrophobicContact CG2-CG1 4.42Å; I666-V671 HydrophobicContact CG2-CG2 4.13Å; I666-V671 PolarHBondContact O-N 2.97Å; I666-C675 HydrophobicContact CD1-CB 4.33Å; I666-C675 WeakPolarHBondContact CD1-SG 3.43Å; I666-C675 WeakPolarHBondContact CG1-SG 3.33Å; I666-C675 VanDerWaalsContact CG2-SG 3.54Å; I666-V693 HydrophobicContact CD1-CG1 3.61Å; I666-V693 HydrophobicContact CD1-CG2 4.37Å |
| 667 | R | 93.2 | Very high | 94.7 | Very high | 82 Ų | 82 | 16.8 Ų | 16.8 | 31% | 0.309 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 171.5 | -74.2 | 172 | -178.8 | 141.9 | 3.2 | 112 | N620 C622 L663 K664 V665 G670 | N620-R667 WeakPolarHBondContact OD1-CG 3.19Å; C622-R667 HydrophobicContact CB-CG 4.48Å; L663-R667 VanDerWaalsContact O-CB 3.27Å; L663-R667 WeakPolarHBondContact O-CB 3.39Å; L663-R667 VanDerWaalsContact O-CD 3.31Å; L663-R667 WeakPolarHBondContact O-CD 3.22Å; L663-R667 WeakPolarHBondContact O-CG 3.48Å; L663-R667 PolarHBondContact O-N 2.92Å; K664-R667 PolarHBondContact O-N 3.26Å; V665-R667 VanDerWaalsContact C-N 3.32Å; V665-R667 PolarHBondContact O-N 2.6Å; R667-G670 PolarHBondContact O-N 3.29Å |
| 668 | H | 94.3 | Very high | 94.7 | Very high | 50 Ų | 50 | 15.5 Ų | 15.5 | 23% | 0.231 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.7 | -39.8 | 179.9 | -173.5 | 61.9 | 0 | 0 | 0 | 113.2 | R531 E534 I535 K664 V665 G670 | R531-H668 PolarHBondContact NH1-CE1 2.98Å; R531-H668 PolarHBondContact NH1-NE2 3.03Å; R531-H668 PolarHBondContact NH2-O 3.37Å; R531-H668 PolarHBondContact O-CD2 2.91Å; R531-H668 PolarHBondContact O-NE2 3.5Å; E534-H668 IonicContact OE2-CE1 3.6Å; E534-H668 PolarHBondContact OE2-CE1 2.88Å; E534-H668 IonicContact OE2-NE2 3.86Å; E534-H668 PolarHBondContact OE2-NE2 2.77Å; E534-H668 VanDerWaalsContact OE2-NE2 3.13Å; I535-H668 HydrophobicContact CD1-CB 4.06Å; I535-H668 HydrophobicContact CG2-CB 4.04Å; I535-H668 VanDerWaalsContact CG2-CG 3.5Å; I535-H668 WeakPolarHBondContact CG2-ND1 3.49Å; K664-H668 PolarHBondContact O-N 2.95Å; K664-H668 VanDerWaalsContact O-N 3.13Å; V665-H668 WeakPolarHBondContact O-CB 3.22Å; V665-H668 PolarHBondContact O-N 3.16Å; V665-H668 VanDerWaalsContact O-N 3.08Å; H668-G670 PolarHBondContact O-N 2.91Å |
| 669 | F | 93.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.018 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -72.4 | -13.1 | 174.3 | -76.9 | -68 | 0 | 0 | 0 | 113.4 | S518 E521 T522 F528 R531 V532 V665 V671 | S518-F669 WeakPolarHBondContact CB-O 3.17Å; S518-F669 PolarHBondContact OG-O 3.11Å; E521-F669 HydrophobicContact CB-CD1 4.07Å; E521-F669 HydrophobicContact CB-CE1 3.93Å; T522-F669 HydrophobicContact CG2-CB 4.47Å; T522-F669 HydrophobicContact CG2-CD1 3.67Å; T522-F669 HydrophobicContact CG2-CD2 4.09Å; T522-F669 HydrophobicContact CG2-CE1 3.83Å; T522-F669 HydrophobicContact CG2-CE2 4.23Å; T522-F669 HydrophobicContact CG2-CG 3.82Å; T522-F669 HydrophobicContact CG2-CZ 4.12Å; F528-F669 HydrophobicContact CD2-CE1 4.37Å; F528-F669 HydrophobicContact CD2-CE2 4.04Å; F528-F669 AromaticContact CD2-CZ 3.5Å; F528-F669 HydrophobicContact CD2-CZ 3.5Å; F528-F669 AromaticContact CE2-CE2 3.88Å; F528-F669 HydrophobicContact CE2-CE2 3.88Å; F528-F669 AromaticContact CE2-CZ 3.84Å; F528-F669 HydrophobicContact CE2-CZ 3.84Å; R531-F669 HydrophobicContact CB-CE1 3.67Å; R531-F669 HydrophobicContact CB-CZ 3.89Å; R531-F669 HydrophobicContact CG-CE1 4.2Å; V532-F669 HydrophobicContact CG2-CE2 4.05Å; V532-F669 HydrophobicContact CG2-CZ 4.04Å; V665-F669 HydrophobicContact CG1-CD2 3.71Å; V665-F669 HydrophobicContact CG1-CE2 3.59Å; V665-F669 WeakPolarHBondContact O-CD2 3.15Å; V665-F669 PolarHBondContact O-N 3.19Å; F669-V671 VanDerWaalsContact C-N 3.32Å; F669-V671 HydrophobicContact CB-CG2 4.04Å; F669-V671 PolarHBondContact O-N 2.93Å |
| 670 | G | 91.7 | Very high | 94.7 | Very high | 25 Ų | 25 | 15.5 Ų | 15.5 | 26% | 0.258 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 30.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P515 I666 R667 H668 | P515-G670 WeakPolarHBondContact CD-O 3.44Å; I666-G670 PolarHBondContact O-N 2.85Å; R667-G670 PolarHBondContact O-N 3.29Å; H668-G670 PolarHBondContact O-N 2.91Å |
| 671 | V | 93.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -60.9 | 138.1 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | T514 R616 I666 F669 C675 A695 | T514-V671 HydrophobicContact CG2-CG1 4.42Å; R616-V671 WeakPolarHBondContact CD-O 3.34Å; R616-V671 WeakPolarHBondContact CG-O 3.2Å; R616-V671 PolarHBondContact NH1-O 2.74Å; I666-V671 HydrophobicContact CG2-CB 3.81Å; I666-V671 HydrophobicContact CG2-CG1 4.42Å; I666-V671 HydrophobicContact CG2-CG2 4.13Å; I666-V671 PolarHBondContact O-N 2.97Å; F669-V671 VanDerWaalsContact C-N 3.32Å; F669-V671 HydrophobicContact CB-CG2 4.04Å; F669-V671 PolarHBondContact O-N 2.93Å; V671-C675 HydrophobicContact CG1-CB 4.06Å; V671-A695 HydrophobicContact CG2-CB 4.24Å | ||
| 672 | V | 93.4 | Very high | 94.7 | Very high | 20 Ų | 20 | 14.3 Ų | 14.3 | 12% | 0.121 | 7% | 0.073 | C | C | . | . | trans | -129.8 | 106.8 | 175 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | G513 T514 R616 A618 | G513-V672 CarbonylContact C-O 3.23Å; G513-V672 VanDerWaalsContact C-O 3.28Å; G513-V672 WeakPolarHBondContact CA-O 3.38Å; T514-V672 PolarHBondContact N-O 2.81Å; T514-V672 PolarHBondContact OG1-O 2.95Å; R616-V672 CarbonylContact O-C 3.51Å; R616-V672 WeakPolarHBondContact O-CA 3.5Å; A618-V672 HydrophobicContact CB-CG1 4.31Å; A618-V672 HydrophobicContact CB-CG2 4.39Å | ||
| 673 | G | 93.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.6 | -142.3 | -168 | 0 | 0 | 0 | 0 | 0 | 110.6 | V615 R616 | V615-G673 CarbonylContact C-O 3.49Å; V615-G673 WeakPolarHBondContact CA-O 3.46Å; R616-G673 PolarHBondContact N-O 2.87Å; R616-G673 PolarHBondContact O-N 2.8Å |
| 674 | E | 94.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 153.2 | 176.4 | 168.9 | -75.8 | 136.4 | 0 | 0 | 110.5 | E613 V614 V615 N676 L697 S701 L712 A716 | E613-E674 VanDerWaalsContact CD-OE1 3.29Å; E613-E674 HydrophobicContact CG-CG 4.25Å; E613-E674 VanDerWaalsContact OE1-CG 3.26Å; E613-E674 WeakPolarHBondContact OE1-CG 2.99Å; V614-E674 CarbonylContact O-C 3.48Å; V614-E674 VanDerWaalsContact O-CA 3.3Å; V614-E674 WeakPolarHBondContact O-CA 3.49Å; V615-E674 HydrophobicContact CG2-CB 4.21Å; E674-N676 PolarHBondContact OE1-N 3.15Å; E674-L697 WeakPolarHBondContact OE2-CA 3.35Å; E674-L697 WeakPolarHBondContact OE2-CD1 3.43Å; E674-L697 VanDerWaalsContact OE2-CD2 3.31Å; E674-L697 WeakPolarHBondContact OE2-CD2 3.42Å; E674-L697 PolarHBondContact OE2-N 3.22Å; E674-S701 PolarHBondContact OE1-OG 3.47Å; E674-S701 VanDerWaalsContact OE1-OG 3.06Å; E674-L712 HydrophobicContact CG-CD2 4.1Å; E674-A716 HydrophobicContact CB-CB 4.11Å |
| 675 | C | 94.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 155.3 | 166.7 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | V614 I666 V671 N694 | V614-C675 PolarHBondContact N-O 3.39Å; V614-C675 PolarHBondContact O-N 2.83Å; I666-C675 HydrophobicContact CD1-CB 4.33Å; I666-C675 WeakPolarHBondContact CD1-SG 3.43Å; I666-C675 WeakPolarHBondContact CG1-SG 3.33Å; I666-C675 VanDerWaalsContact CG2-SG 3.54Å; V671-C675 HydrophobicContact CG1-CB 4.06Å; C675-N694 VanDerWaalsContact CA-O 3.24Å; C675-N694 WeakPolarHBondContact CA-O 3.2Å; C675-N694 VanDerWaalsContact CB-O 3.24Å; C675-N694 WeakPolarHBondContact CB-O 3.45Å |
| 676 | N | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.9 | 174.2 | 176.7 | -95.9 | 0 | 0 | 0 | 110.1 | E613 E674 Q678 V693 N694 | E613-N676 WeakPolarHBondContact OE2-CB 3.14Å; E613-N676 PolarHBondContact OE2-ND2 3.28Å; E613-N676 VanDerWaalsContact OE2-ND2 3.17Å; E674-N676 PolarHBondContact OE1-N 3.15Å; N676-Q678 WeakPolarHBondContact OD1-CG 3.43Å; N676-Q678 PolarHBondContact OD1-NE2 3.15Å; N676-Q678 VanDerWaalsContact OD1-NE2 3.12Å; N676-V693 CarbonylContact O-C 3.52Å; N676-V693 WeakPolarHBondContact O-CA 3.25Å; N676-N694 HydrophobicContact CB-CB 4.26Å; N676-N694 PolarHBondContact N-O 2.8Å; N676-N694 PolarHBondContact O-N 2.86Å |
| 677 | I | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137.4 | 173.1 | -176.8 | 164.9 | 0 | 0 | 0 | 110.3 | E611 Y612 V614 A662 V665 Y679 I690 V693 | E611-I677 WeakPolarHBondContact CA-O 3.42Å; Y612-I677 PolarHBondContact N-O 3.23Å; Y612-I677 PolarHBondContact O-N 3.1Å; V614-I677 HydrophobicContact CG2-CG2 4.05Å; A662-I677 HydrophobicContact CB-CG2 3.68Å; V665-I677 HydrophobicContact CB-CD1 4.02Å; V665-I677 HydrophobicContact CG1-CD1 3.91Å; V665-I677 HydrophobicContact CG2-CD1 4.27Å; I677-Y679 HydrophobicContact CD1-CE1 4.1Å; I677-Y679 WeakPolarHBondContact CD1-OH 3.42Å; I677-Y679 HydrophobicContact CG1-CE1 4.26Å; I677-Y679 HydrophobicContact CG1-CE2 4.13Å; I677-Y679 HydrophobicContact CG2-CE2 3.92Å; I677-I690 HydrophobicContact CD1-CG2 3.97Å; I677-I690 HydrophobicContact CG1-CG2 4.06Å; I677-V693 HydrophobicContact CB-CG2 4.11Å; I677-V693 HydrophobicContact CD1-CG2 3.7Å; I677-V693 HydrophobicContact CG1-CG2 3.75Å |
| 678 | Q | 95 | Very high | 94.6 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.5 | -175.4 | -64.8 | 171.1 | 15.9 | 0 | 0 | 111.6 | V610 E611 N676 I691 E692 | V610-Q678 CarbonylContact O-C 3.57Å; V610-Q678 WeakPolarHBondContact O-CA 3.41Å; E611-Q678 HydrophobicContact CB-CG 4.29Å; E611-Q678 HydrophobicContact CG-CG 3.97Å; E611-Q678 PolarHBondContact OE1-NE2 2.97Å; N676-Q678 WeakPolarHBondContact OD1-CG 3.43Å; N676-Q678 PolarHBondContact OD1-NE2 3.15Å; N676-Q678 VanDerWaalsContact OD1-NE2 3.12Å; Q678-I691 HydrophobicContact CB-CB 4.1Å; Q678-I691 HydrophobicContact CB-CD1 4.44Å; Q678-I691 PolarHBondContact O-N 3.49Å; Q678-E692 HydrophobicContact CB-CG 4.27Å; Q678-E692 HydrophobicContact CG-CG 4.39Å; Q678-E692 PolarHBondContact N-O 3.28Å; Q678-E692 PolarHBondContact NE2-OE1 3.16Å; Q678-E692 PolarHBondContact OE1-OE1 2.9Å |
| 679 | Y | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142 | -175.6 | -58 | -81.5 | 0 | 0 | 0 | 111.8 | E609 V610 Y612 L658 T661 A662 I677 Y688 Y689 I690 I691 | E609-Y679 WeakPolarHBondContact CA-O 3.47Å; V610-Y679 PolarHBondContact N-O 2.95Å; V610-Y679 PolarHBondContact O-N 3.45Å; Y612-Y679 HydrophobicContact CD2-CD2 4.22Å; Y612-Y679 AromaticContact CD2-CE2 3.84Å; Y612-Y679 HydrophobicContact CD2-CE2 3.84Å; L658-Y679 HydrophobicContact CB-CD2 4.33Å; L658-Y679 HydrophobicContact CB-CE2 4.18Å; L658-Y679 HydrophobicContact CD1-CD2 4.37Å; L658-Y679 HydrophobicContact CD1-CG 4.49Å; L658-Y679 HydrophobicContact CD2-CD1 3.78Å; L658-Y679 HydrophobicContact CD2-CD2 4.16Å; L658-Y679 HydrophobicContact CD2-CE1 4.15Å; L658-Y679 HydrophobicContact CD2-CE2 4.5Å; L658-Y679 HydrophobicContact CD2-CG 3.77Å; L658-Y679 PolarHBondContact O-OH 3.34Å; T661-Y679 HydrophobicContact CG2-CE1 3.83Å; A662-Y679 WeakPolarHBondContact CA-OH 3.27Å; A662-Y679 VanDerWaalsContact CB-OH 3.26Å; A662-Y679 WeakPolarHBondContact CB-OH 3.36Å; A662-Y679 PolarHBondContact N-OH 2.85Å; I677-Y679 HydrophobicContact CD1-CE1 4.1Å; I677-Y679 WeakPolarHBondContact CD1-OH 3.42Å; I677-Y679 HydrophobicContact CG1-CE1 4.26Å; I677-Y679 HydrophobicContact CG1-CE2 4.13Å; I677-Y679 HydrophobicContact CG2-CE2 3.92Å; Y679-Y688 AromaticContact CD1-CD2 3.97Å; Y679-Y688 HydrophobicContact CD1-CD2 3.97Å; Y679-Y688 HydrophobicContact CD1-CE2 4.48Å; Y679-Y688 HydrophobicContact CE1-CD2 4.39Å; Y679-Y688 HydrophobicContact CE1-CE2 4.46Å; Y679-Y689 WeakPolarHBondContact CA-O 3.35Å; Y679-I690 HydrophobicContact CD1-CG1 4.04Å; Y679-I690 HydrophobicContact CE1-CG1 3.8Å; Y679-I691 VanDerWaalsContact C-CD1 3.45Å |
| 680 | A | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 107.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | L604 W607 K608 L634 Y688 Y689 I691 | L604-A680 HydrophobicContact CB-CB 4.38Å; L604-A680 HydrophobicContact CD1-CB 3.65Å; W607-A680 HydrophobicContact CB-CB 4.41Å; W607-A680 HydrophobicContact CE3-CB 4.26Å; K608-A680 CarbonylContact O-C 3.32Å; K608-A680 WeakPolarHBondContact O-CA 3.17Å; L634-A680 HydrophobicContact CD2-CB 3.56Å; A680-Y688 CarbonylContact O-C 3.58Å; A680-Y688 WeakPolarHBondContact O-CA 3.39Å; A680-Y688 WeakPolarHBondContact O-CB 3.3Å; A680-Y689 PolarHBondContact N-O 3.13Å; A680-Y689 PolarHBondContact O-N 3.01Å; A680-I691 HydrophobicContact CB-CD1 4.02Å; A680-I691 HydrophobicContact CB-CG1 3.96Å |
| 681 | L | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.9 | 177.6 | 177.7 | 68 | 0 | 0 | 0 | 110.6 | W607 K608 L650 E654 M657 L658 P683 | W607-L681 VanDerWaalsContact CE3-C 3.5Å; K608-L681 HydrophobicContact CB-CB 4.29Å; K608-L681 PolarHBondContact N-O 3.3Å; K608-L681 PolarHBondContact O-N 2.91Å; L650-L681 HydrophobicContact CD2-CD2 3.51Å; E654-L681 HydrophobicContact CB-CD2 4.29Å; E654-L681 HydrophobicContact CG-CD2 4.26Å; M657-L681 HydrophobicContact CE-CD1 4.01Å; L658-L681 HydrophobicContact CD1-CD2 4.4Å; L681-P683 WeakPolarHBondContact O-CD 3.25Å |
| 682 | C | 95.4 | Very high | 94.5 | Very high | 16 Ų | 16 | 25 Ų | 25 | 11% | 0.108 | 13% | 0.125 | C | C | . | . | trans | -65 | 126.6 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | W607 H684 S685 Q687 | W607-C682 HydrophobicContact CD2-CB 4.39Å; W607-C682 VanDerWaalsContact CE3-CA 3.5Å; W607-C682 HydrophobicContact CE3-CB 3.88Å; W607-C682 HydrophobicContact CH2-CB 3.76Å; W607-C682 HydrophobicContact CZ2-CB 4.29Å; W607-C682 HydrophobicContact CZ3-CB 3.54Å; C682-H684 PolarHBondContact O-N 3.11Å; C682-S685 WeakPolarHBondContact CB-OG 3.49Å; C682-S685 PolarHBondContact SG-OG 3.13Å; C682-Q687 HydrophobicContact CB-CB 4.18Å; C682-Q687 WeakPolarHBondContact CB-O 3.31Å; C682-Q687 PolarHBondContact N-O 3.05Å | ||
| 683 | P | 93.7 | Very high | 94.4 | Very high | 31 Ų | 31 | 24.2 Ų | 24.2 | 20% | 0.201 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10 | 178.6 | -20.3 | 31 | 0 | 0 | 0 | 114.9 | K608 L681 | K608-P683 HydrophobicContact CG-CB 4.47Å; K608-P683 HydrophobicContact CG-CG 4.18Å; L681-P683 WeakPolarHBondContact O-CD 3.25Å |
| 684 | H | 94.1 | Very high | 94.2 | Very high | 132 Ų | 132 | 25.1 Ų | 25.1 | 61% | 0.611 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | 5.5 | -170.5 | -54 | -42.9 | 0 | 0 | 0 | 114 | C682 | C682-H684 PolarHBondContact O-N 3.11Š|
| 685 | S | 95.3 | Very high | 94 | Very high | 36 Ų | 36 | 25.1 Ų | 25.1 | 25% | 0.252 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -163 | 170.1 | 178.5 | 69 | 0 | 0 | 0 | 0 | 110.2 | C682 Q687 | C682-S685 WeakPolarHBondContact CB-OG 3.49Å; C682-S685 PolarHBondContact SG-OG 3.13Å; S685-Q687 PolarHBondContact O-N 2.85Å; S685-Q687 WeakPolarHBondContact OG-CB 3.28Å; S685-Q687 PolarHBondContact OG-N 2.65Å |
| 686 | E | 93.9 | Very high | 93.6 | Very high | 50 Ų | 50 | 26.1 Ų | 26.1 | 23% | 0.234 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -77.7 | 5.2 | 173.6 | -71.2 | 168.4 | 160.6 | 0 | 0 | 113.5 | W111 R112 R653 M657 Y688 | W111-E686 HydrophobicContact CZ2-CG 4.27Å; R112-E686 IonicContact CZ-OE1 2.75Å; R112-E686 IonicContact CZ-OE2 2.76Å; R112-E686 IonicContact NH1-OE1 2.77Å; R112-E686 PolarHBondContact NH1-OE1 3.11Å; R112-E686 IonicContact NH2-OE1 3.78Å; R112-E686 PolarHBondContact NH2-OE1 3.42Å; R112-E686 IonicContact NH2-OE2 2.83Å; R112-E686 PolarHBondContact NH2-OE2 3.05Å; R653-E686 WeakPolarHBondContact CG-OE1 3.3Å; R653-E686 IonicContact NE-OE1 3.29Å; M657-E686 HydrophobicContact CE-CB 4.43Å; M657-E686 WeakPolarHBondContact CE-O 3.45Å; M657-E686 HydrophobicContact SD-CB 4.13Å; E686-Y688 PolarHBondContact O-N 3.2Å |
| 687 | Q | 95.5 | Very high | 93.3 | Very high | 86 Ų | 86 | 26.4 Ų | 26.4 | 40% | 0.402 | 13% | 0.13 | S | C | . | . | trans | -65.7 | 128.3 | 177.3 | -173.2 | 177.9 | 21 | 0 | 0 | 110.4 | W607 C682 S685 Y689 | W607-Q687 HydrophobicContact CH2-CB 4.49Å; W607-Q687 HydrophobicContact CH2-CG 4.12Å; W607-Q687 HydrophobicContact CZ3-CG 4.37Å; W607-Q687 WeakPolarHBondContact CZ3-O 3.23Å; C682-Q687 HydrophobicContact CB-CB 4.18Å; C682-Q687 WeakPolarHBondContact CB-O 3.31Å; C682-Q687 PolarHBondContact N-O 3.05Å; S685-Q687 PolarHBondContact O-N 2.85Å; S685-Q687 WeakPolarHBondContact OG-CB 3.28Å; S685-Q687 PolarHBondContact OG-N 2.65Å; Q687-Y689 HydrophobicContact CG-CE2 4.46Å; Q687-Y689 PolarHBondContact NE2-OH 2.65Å | ||
| 688 | Y | 96.2 | Very high | 92.9 | Very high | 37 Ų | 37 | 27 Ų | 27 | 15% | 0.145 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 162 | 174.1 | 68.5 | -88.5 | 0 | 0 | 0 | 111.9 | E537 M657 L658 T661 Y679 A680 E686 I690 | E537-Y688 PolarHBondContact OE2-OH 3.1Å; M657-Y688 HydrophobicContact CE-CD1 3.5Å; M657-Y688 HydrophobicContact CE-CE1 3.97Å; M657-Y688 HydrophobicContact CE-CG 4.42Å; M657-Y688 HydrophobicContact CG-CD1 4.49Å; M657-Y688 HydrophobicContact CG-CE1 3.99Å; M657-Y688 HydrophobicContact SD-CD1 3.89Å; M657-Y688 HydrophobicContact SD-CE1 3.8Å; L658-Y688 HydrophobicContact CD2-CD1 4.15Å; L658-Y688 HydrophobicContact CD2-CD2 4.14Å; L658-Y688 HydrophobicContact CD2-CG 3.86Å; T661-Y688 HydrophobicContact CG2-CE2 3.82Å; T661-Y688 PolarHBondContact OG1-OH 3.02Å; T661-Y688 VanDerWaalsContact OG1-OH 3.06Å; Y679-Y688 AromaticContact CD1-CD2 3.97Å; Y679-Y688 HydrophobicContact CD1-CD2 3.97Å; Y679-Y688 HydrophobicContact CD1-CE2 4.48Å; Y679-Y688 HydrophobicContact CE1-CD2 4.39Å; Y679-Y688 HydrophobicContact CE1-CE2 4.46Å; A680-Y688 CarbonylContact O-C 3.58Å; A680-Y688 WeakPolarHBondContact O-CA 3.39Å; A680-Y688 WeakPolarHBondContact O-CB 3.3Å; E686-Y688 PolarHBondContact O-N 3.2Å; Y688-I690 HydrophobicContact CE2-CG1 4.45Å |
| 689 | Y | 95.8 | Very high | 92.6 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.2 | 168.1 | -68.3 | -73.8 | 0 | 0 | 0 | 109.8 | Q538 V539 L604 W607 Y679 A680 Q687 I691 | Q538-Y689 HydrophobicContact CB-CD1 3.83Å; Q538-Y689 HydrophobicContact CB-CE1 3.97Å; V539-Y689 VanDerWaalsContact O-CD1 3.31Å; V539-Y689 WeakPolarHBondContact O-CD1 3.49Å; L604-Y689 HydrophobicContact CD1-CD2 3.6Å; L604-Y689 HydrophobicContact CD1-CG 3.98Å; L604-Y689 HydrophobicContact CD2-CD2 3.84Å; L604-Y689 HydrophobicContact CD2-CE2 4.02Å; L604-Y689 HydrophobicContact CG-CD2 4.4Å; W607-Y689 HydrophobicContact CH2-CD2 4.21Å; W607-Y689 AromaticContact CH2-CE2 3.97Å; W607-Y689 HydrophobicContact CH2-CE2 3.97Å; W607-Y689 AromaticContact CZ3-CD2 3.97Å; W607-Y689 HydrophobicContact CZ3-CD2 3.97Å; W607-Y689 HydrophobicContact CZ3-CE2 4.19Å; Y679-Y689 WeakPolarHBondContact CA-O 3.35Å; A680-Y689 PolarHBondContact N-O 3.13Å; A680-Y689 PolarHBondContact O-N 3.01Å; Q687-Y689 HydrophobicContact CG-CE2 4.46Å; Q687-Y689 PolarHBondContact NE2-OH 2.65Å; Y689-I691 PolarHBondContact O-N 3Å |
| 690 | I | 94.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 121.1 | 171.2 | -57.6 | 165.7 | 0 | 0 | 0 | 107.9 | F528 V532 E537 Q538 T661 V665 I677 Y679 Y688 | F528-I690 HydrophobicContact CE1-CG2 4.36Å; F528-I690 HydrophobicContact CZ-CG2 3.7Å; V532-I690 HydrophobicContact CG1-CD1 3.71Å; E537-I690 HydrophobicContact CB-CD1 3.91Å; E537-I690 HydrophobicContact CG-CD1 4.48Å; Q538-I690 PolarHBondContact O-N 3.44Å; T661-I690 HydrophobicContact CG2-CD1 4.11Å; T661-I690 HydrophobicContact CG2-CG1 4.48Å; V665-I690 HydrophobicContact CG2-CD1 3.61Å; I677-I690 HydrophobicContact CD1-CG2 3.97Å; I677-I690 HydrophobicContact CG1-CG2 4.06Å; Y679-I690 HydrophobicContact CD1-CG1 4.04Å; Y679-I690 HydrophobicContact CE1-CG1 3.8Å; Y688-I690 HydrophobicContact CE2-CG1 4.45Å |
| 691 | I | 89.7 | Confident | 92 | Very high | 25 Ų | 25 | 28 Ų | 28 | 13% | 0.128 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -54.6 | 179.4 | -60.3 | 171.9 | 0 | 0 | 0 | 109.2 | R525 E609 L634 Q678 Y679 A680 Y689 | R525-I691 PolarHBondContact NH1-O 2.76Å; R525-I691 PolarHBondContact NH2-O 3.14Å; E609-I691 HydrophobicContact CG-CD1 4.03Å; L634-I691 HydrophobicContact CD1-CD1 3.74Å; L634-I691 HydrophobicContact CD2-CD1 4.16Å; Q678-I691 HydrophobicContact CB-CB 4.1Å; Q678-I691 HydrophobicContact CB-CD1 4.44Å; Q678-I691 PolarHBondContact O-N 3.49Å; Y679-I691 VanDerWaalsContact C-CD1 3.45Å; A680-I691 HydrophobicContact CB-CD1 4.02Å; A680-I691 HydrophobicContact CB-CG1 3.96Å; Y689-I691 PolarHBondContact O-N 3Å |
| 692 | E | 89.5 | Confident | 91.6 | Very high | 43 Ų | 43 | 28.1 Ų | 28.1 | 20% | 0.201 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 164.4 | -179.3 | 60.5 | -177.6 | -147.9 | 0 | 0 | 112.8 | R525 Q678 N694 | R525-E692 IonicContact NH2-OE2 3.97Å; R525-E692 PolarHBondContact NH2-OE2 2.9Å; Q678-E692 HydrophobicContact CB-CG 4.27Å; Q678-E692 HydrophobicContact CG-CG 4.39Å; Q678-E692 PolarHBondContact N-O 3.28Å; Q678-E692 PolarHBondContact NE2-OE1 3.16Å; Q678-E692 PolarHBondContact OE1-OE1 2.9Å; E692-N694 PolarHBondContact OE1-ND2 3.31Å |
| 693 | V | 91.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 117.6 | 169.6 | 174.7 | 0 | 0 | 0 | 0 | 108.2 | T522 F528 V665 I666 N676 I677 | T522-V693 WeakPolarHBondContact CB-O 3.41Å; T522-V693 HydrophobicContact CG2-CB 4.16Å; T522-V693 HydrophobicContact CG2-CG1 3.96Å; F528-V693 HydrophobicContact CE2-CB 3.88Å; F528-V693 HydrophobicContact CE2-CG2 3.66Å; F528-V693 HydrophobicContact CZ-CG2 4.05Å; V665-V693 HydrophobicContact CG1-CG2 3.96Å; I666-V693 HydrophobicContact CD1-CG1 3.61Å; I666-V693 HydrophobicContact CD1-CG2 4.37Å; N676-V693 CarbonylContact O-C 3.52Å; N676-V693 WeakPolarHBondContact O-CA 3.25Å; I677-V693 HydrophobicContact CB-CG2 4.11Å; I677-V693 HydrophobicContact CD1-CG2 3.7Å; I677-V693 HydrophobicContact CG1-CG2 3.75Å |
| 694 | N | 90.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 26 Ų | 26 | 13% | 0.128 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 96.8 | 173.1 | -67.8 | -58.8 | 0 | 0 | 0 | 108.1 | C675 N676 E692 R696 | C675-N694 VanDerWaalsContact CA-O 3.24Å; C675-N694 WeakPolarHBondContact CA-O 3.2Å; C675-N694 VanDerWaalsContact CB-O 3.24Å; C675-N694 WeakPolarHBondContact CB-O 3.45Å; N676-N694 HydrophobicContact CB-CB 4.26Å; N676-N694 PolarHBondContact N-O 2.8Å; N676-N694 PolarHBondContact O-N 2.86Å; E692-N694 PolarHBondContact OE1-ND2 3.31Å; N694-R696 PolarHBondContact O-N 2.75Å |
| 695 | A | 88.6 | Confident | 91.4 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | trans | -77.1 | 37.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T514 T522 V671 | T514-A695 HydrophobicContact CG2-CB 4.19Å; T522-A695 HydrophobicContact CG2-CB 4.15Å; V671-A695 HydrophobicContact CG2-CB 4.24Å | ||
| 696 | R | 86.8 | Confident | 91.3 | Very high | 22 Ų | 22 | 18 Ų | 18 | 8% | 0.083 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -157.6 | 168 | -178.4 | 56.7 | 158.8 | 168.1 | 104.3 | -3.1 | 109.4 | T485 L492 N694 | T485-R696 HydrophobicContact CG2-CB 4.29Å; L492-R696 HydrophobicContact CD1-CB 4.41Å; L492-R696 HydrophobicContact CD1-CG 4.01Å; N694-R696 PolarHBondContact O-N 2.75Å |
| 697 | L | 88.2 | Confident | 91.2 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 3% | 0.026 | 8% | 0.075 | C | C | . | . | trans | -55.8 | 144.4 | 170.4 | -78 | -70.7 | 0 | 0 | 0 | 110.3 | F422 T485 F486 E674 A713 A716 | F422-L697 VanDerWaalsContact CE1-O 3.25Å; F422-L697 WeakPolarHBondContact CE1-O 3.47Å; T485-L697 PolarHBondContact O-N 3.24Å; F486-L697 HydrophobicContact CD1-CD2 4.1Å; F486-L697 HydrophobicContact CD1-CG 4.44Å; F486-L697 HydrophobicContact CE1-CD2 3.96Å; E674-L697 WeakPolarHBondContact OE2-CA 3.35Å; E674-L697 WeakPolarHBondContact OE2-CD1 3.43Å; E674-L697 VanDerWaalsContact OE2-CD2 3.31Å; E674-L697 WeakPolarHBondContact OE2-CD2 3.42Å; E674-L697 PolarHBondContact OE2-N 3.22Å; L697-A713 HydrophobicContact CD1-CB 4.06Å; L697-A713 HydrophobicContact CG-CB 4.48Å; L697-A716 HydrophobicContact CD2-CB 4.42Å | ||
| 698 | S | 87.6 | Confident | 91 | Very high | 13 Ų | 13 | 11.6 Ų | 11.6 | 9% | 0.091 | 6% | 0.056 | C | C | . | . | trans | -136.7 | 176.2 | 179.9 | 75 | 0 | 0 | 0 | 0 | 111.1 | S700 S701 A702 | S698-S700 VanDerWaalsContact C-N 3.35Å; S698-S700 PolarHBondContact OG-N 3.28Å; S698-S701 PolarHBondContact N-OG 3.45Å; S698-S701 VanDerWaalsContact O-CB 3.24Å; S698-S701 WeakPolarHBondContact O-CB 3.3Å; S698-S701 PolarHBondContact O-N 2.83Å; S698-S701 VanDerWaalsContact O-N 3.16Å; S698-S701 PolarHBondContact OG-N 3.21Å; S698-S701 VanDerWaalsContact OG-N 3.09Å; S698-S701 PolarHBondContact OG-OG 3.05Å; S698-A702 PolarHBondContact O-N 3.44Å; S698-A702 VanDerWaalsContact O-N 3.15Å | ||
| 699 | R | 87.5 | Confident | 90.6 | Very high | 19 Ų | 19 | 10 Ų | 10 | 7% | 0.072 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 172 | -177.1 | -179.8 | -80.8 | -180 | -4.1 | 111.1 | E421 S701 A702 L703 S772 E775 E991 | E421-R699 HydrophobicContact CG-CB 4.39Å; R699-S701 PolarHBondContact O-N 3.08Å; R699-A702 PolarHBondContact O-N 3.35Å; R699-A702 VanDerWaalsContact O-N 3.14Å; R699-L703 PolarHBondContact O-N 3.16Å; R699-S772 PolarHBondContact NH1-OG 2.9Å; R699-E775 WeakPolarHBondContact CD-OE2 3.38Å; R699-E775 VanDerWaalsContact CG-CD 3.43Å; R699-E775 WeakPolarHBondContact CG-OE1 3.31Å; R699-E775 WeakPolarHBondContact CG-OE2 3.2Å; R699-E991 IonicContact CZ-OE1 2.73Å; R699-E991 IonicContact NE-OE1 3.22Å; R699-E991 PolarHBondContact NE-OE1 3.42Å; R699-E991 IonicContact NH2-OE1 2.79Å; R699-E991 PolarHBondContact NH2-OE1 2.84Å |
| 700 | S | 89.1 | Confident | 90.3 | Very high | 12 Ų | 12 | 8.7 Ų | 8.7 | 8% | 0.084 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -58.6 | -33.2 | 171.9 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | E611 S698 L703 A704 | E611-S700 WeakPolarHBondContact OE2-CB 3.23Å; E611-S700 PolarHBondContact OE2-OG 2.9Å; S698-S700 VanDerWaalsContact C-N 3.35Å; S698-S700 PolarHBondContact OG-N 3.28Å; S700-L703 WeakPolarHBondContact O-CB 3.46Å; S700-L703 PolarHBondContact O-N 3.3Å; S700-A704 VanDerWaalsContact O-CB 3.24Å; S700-A704 WeakPolarHBondContact O-CB 3.31Å; S700-A704 PolarHBondContact O-N 3.29Å |
| 701 | S | 90.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.007 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 175.4 | -46.3 | 0 | 0 | 0 | 0 | 112.8 | E613 E674 S698 R699 A704 S705 L712 | E613-S701 WeakPolarHBondContact OE1-CA 3.28Å; E613-S701 WeakPolarHBondContact OE1-CB 3.49Å; E613-S701 PolarHBondContact OE1-OG 2.96Å; E674-S701 PolarHBondContact OE1-OG 3.47Å; E674-S701 VanDerWaalsContact OE1-OG 3.06Å; S698-S701 PolarHBondContact N-OG 3.45Å; S698-S701 VanDerWaalsContact O-CB 3.24Å; S698-S701 WeakPolarHBondContact O-CB 3.3Å; S698-S701 PolarHBondContact O-N 2.83Å; S698-S701 VanDerWaalsContact O-N 3.16Å; S698-S701 PolarHBondContact OG-N 3.21Å; S698-S701 VanDerWaalsContact OG-N 3.09Å; S698-S701 PolarHBondContact OG-OG 3.05Å; R699-S701 PolarHBondContact O-N 3.08Å; S701-A704 PolarHBondContact O-N 3.15Å; S701-S705 WeakPolarHBondContact O-CB 3.3Å; S701-S705 PolarHBondContact O-N 3.27Å; S701-L712 WeakPolarHBondContact O-CD1 3.39Å |
| 702 | A | 90 | Very high | 90.2 | Very high | 3 Ų | 3 | 7.6 Ų | 7.6 | 3% | 0.025 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E421 Y424 S698 R699 S705 K706 | E421-A702 HydrophobicContact CB-CB 3.87Å; Y424-A702 HydrophobicContact CD1-CB 4.3Å; S698-A702 PolarHBondContact O-N 3.44Å; S698-A702 VanDerWaalsContact O-N 3.15Å; R699-A702 PolarHBondContact O-N 3.35Å; R699-A702 VanDerWaalsContact O-N 3.14Å; A702-S705 WeakPolarHBondContact O-CB 3.39Å; A702-S705 PolarHBondContact O-N 3.41Å; A702-K706 WeakPolarHBondContact O-CG 3.38Å; A702-K706 PolarHBondContact O-N 3.43Å |
| 703 | L | 92.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.01 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -55.7 | -52.8 | 173.8 | 176.4 | 66.9 | 0 | 0 | 0 | 111.8 | M628 V643 R699 S700 S705 K706 A707 V748 K750 M777 P990 | M628-L703 HydrophobicContact SD-CD2 3.96Å; V643-L703 HydrophobicContact CG1-CD2 4.42Å; R699-L703 PolarHBondContact O-N 3.16Å; S700-L703 WeakPolarHBondContact O-CB 3.46Å; S700-L703 PolarHBondContact O-N 3.3Å; L703-S705 PolarHBondContact O-N 2.93Å; L703-K706 PolarHBondContact O-N 3.21Å; L703-K706 VanDerWaalsContact O-N 3.13Å; L703-A707 WeakPolarHBondContact O-CB 3.11Å; L703-A707 PolarHBondContact O-N 3.34Å; L703-V748 HydrophobicContact CD1-CG1 4.41Å; L703-K750 HydrophobicContact CD1-CB 3.89Å; L703-K750 HydrophobicContact CD1-CG 4.23Å; L703-K750 HydrophobicContact CD2-CB 3.68Å; L703-K750 HydrophobicContact CD2-CG 4.02Å; L703-K750 HydrophobicContact CG-CB 4.45Å; L703-M777 HydrophobicContact CD1-CB 4.07Å; L703-M777 HydrophobicContact CD1-CG 3.79Å; L703-M777 HydrophobicContact CD1-SD 3.74Å; L703-P990 HydrophobicContact CD1-CB 4.47Å; L703-P990 HydrophobicContact CD1-CG 4.34Å |
| 704 | A | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -57.3 | -38.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | E613 C626 M628 S700 S701 T708 L712 | E613-A704 HydrophobicContact CB-CB 4.23Å; E613-A704 HydrophobicContact CG-CB 4.12Å; C626-A704 HydrophobicContact CB-CB 3.57Å; M628-A704 HydrophobicContact CE-CB 4.09Å; S700-A704 VanDerWaalsContact O-CB 3.24Å; S700-A704 WeakPolarHBondContact O-CB 3.31Å; S700-A704 PolarHBondContact O-N 3.29Å; S701-A704 PolarHBondContact O-N 3.15Å; A704-T708 WeakPolarHBondContact O-CB 2.82Å; A704-T708 WeakPolarHBondContact O-CG2 3.42Å; A704-T708 PolarHBondContact O-N 3.32Å; A704-T708 PolarHBondContact O-OG1 2.8Å; A704-L712 HydrophobicContact CB-CD1 3.76Å |
| 705 | S | 92.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.014 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 177.7 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | Y424 S701 A702 L703 G709 Y710 | Y424-S705 PolarHBondContact OH-OG 3.36Å; S701-S705 WeakPolarHBondContact O-CB 3.3Å; S701-S705 PolarHBondContact O-N 3.27Å; A702-S705 WeakPolarHBondContact O-CB 3.39Å; A702-S705 PolarHBondContact O-N 3.41Å; L703-S705 PolarHBondContact O-N 2.93Å; S705-G709 CarbonylContact O-C 3.56Å; S705-G709 WeakPolarHBondContact O-CA 3.25Å; S705-G709 PolarHBondContact O-N 2.84Å; S705-Y710 WeakPolarHBondContact CA-O 3.26Å; S705-Y710 WeakPolarHBondContact CB-O 3.28Å; S705-Y710 PolarHBondContact O-N 3.48Å; S705-Y710 PolarHBondContact OG-O 3.16Å |
| 706 | K | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -76 | -37.4 | 178.3 | -54.6 | -48 | 177.1 | 174.1 | 0 | 112.5 | A702 L703 T708 M777 Y930 P990 T995 D996 F1005 | A702-K706 WeakPolarHBondContact O-CG 3.38Å; A702-K706 PolarHBondContact O-N 3.43Å; L703-K706 PolarHBondContact O-N 3.21Å; L703-K706 VanDerWaalsContact O-N 3.13Å; K706-T708 VanDerWaalsContact C-N 3.35Å; K706-T708 PolarHBondContact O-N 2.59Å; K706-M777 HydrophobicContact CB-CE 4.28Å; K706-M777 HydrophobicContact CB-SD 3.72Å; K706-Y930 HydrophobicContact CD-CE2 4.49Å; K706-P990 HydrophobicContact CB-CB 4.27Å; K706-P990 HydrophobicContact CG-CB 3.92Å; K706-T995 WeakPolarHBondContact CD-O 3.39Å; K706-T995 PolarHBondContact NZ-O 3.32Å; K706-D996 VanDerWaalsContact NZ-CA 3.29Å; K706-D996 IonicContact NZ-OD1 2.97Å; K706-D996 PolarHBondContact NZ-OD1 2.93Å; K706-F1005 HydrophobicContact CB-CE1 4.48Å; K706-F1005 HydrophobicContact CB-CE2 4.31Å; K706-F1005 HydrophobicContact CB-CZ 3.76Å; K706-F1005 HydrophobicContact CD-CE2 4.49Å; K706-F1005 HydrophobicContact CD-CZ 4.06Å; K706-F1005 HydrophobicContact CG-CZ 3.84Å |
| 707 | A | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -65.9 | -36 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L703 Y746 V748 M777 | L703-A707 WeakPolarHBondContact O-CB 3.11Å; L703-A707 PolarHBondContact O-N 3.34Å; A707-Y746 VanDerWaalsContact O-CE2 3.26Å; A707-Y746 WeakPolarHBondContact O-CE2 3.43Å; A707-Y746 PolarHBondContact O-OH 3.27Å; A707-V748 HydrophobicContact CB-CB 4.3Å; A707-V748 HydrophobicContact CB-CG1 4.05Å; A707-V748 HydrophobicContact CB-CG2 4.01Å; A707-M777 VanDerWaalsContact CA-CE 3.48Å; A707-M777 HydrophobicContact CB-CE 4.1Å; A707-M777 HydrophobicContact CB-SD 4.38Å |
| 708 | T | 91.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.006 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -97.5 | -22.4 | -179.2 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | C626 A704 K706 Y710 P742 L744 T919 | C626-T708 HydrophobicContact CB-CG2 3.9Å; A704-T708 WeakPolarHBondContact O-CB 2.82Å; A704-T708 WeakPolarHBondContact O-CG2 3.42Å; A704-T708 PolarHBondContact O-N 3.32Å; A704-T708 PolarHBondContact O-OG1 2.8Å; K706-T708 VanDerWaalsContact C-N 3.35Å; K706-T708 PolarHBondContact O-N 2.59Å; T708-Y710 WeakPolarHBondContact OG1-CB 3.36Å; T708-Y710 PolarHBondContact OG1-N 3.12Å; T708-P742 HydrophobicContact CG2-CB 4.02Å; T708-P742 HydrophobicContact CG2-CG 4.23Å; T708-L744 HydrophobicContact CG2-CD2 4.11Å; T708-T919 WeakPolarHBondContact O-CG2 3.3Å |
| 709 | G | 87.8 | Confident | 91.9 | Very high | 2 Ų | 2 | 4.4 Ų | 4.4 | 2% | 0.021 | 2% | 0.022 | C | C | . | . | trans | 76.5 | 8.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S705 V732 | S705-G709 CarbonylContact O-C 3.56Å; S705-G709 WeakPolarHBondContact O-CA 3.25Å; S705-G709 PolarHBondContact O-N 2.84Å; G709-V732 WeakPolarHBondContact O-CG2 3.47Å | ||
| 710 | Y | 89.9 | Confident | 92.1 | Very high | 1 Ų | 1 | 3.9 Ų | 3.9 | 0% | 0.004 | 2% | 0.022 | C | C | . | . | trans | -87.7 | 121.5 | 177.9 | -167.6 | -79.7 | 0 | 0 | 0 | 110.8 | V625 S705 T708 L712 V715 A738 F740 P742 | V625-Y710 HydrophobicContact CG1-CD1 3.75Å; V625-Y710 HydrophobicContact CG1-CD2 4.17Å; V625-Y710 HydrophobicContact CG1-CE1 4.43Å; V625-Y710 HydrophobicContact CG1-CG 3.59Å; V625-Y710 HydrophobicContact CG2-CD1 4.15Å; V625-Y710 HydrophobicContact CG2-CE1 4Å; V625-Y710 HydrophobicContact CG2-CE2 4.45Å; V625-Y710 HydrophobicContact CG2-CG 4.44Å; S705-Y710 WeakPolarHBondContact CA-O 3.26Å; S705-Y710 WeakPolarHBondContact CB-O 3.28Å; S705-Y710 PolarHBondContact O-N 3.48Å; S705-Y710 PolarHBondContact OG-O 3.16Å; T708-Y710 WeakPolarHBondContact OG1-CB 3.36Å; T708-Y710 PolarHBondContact OG1-N 3.12Å; Y710-L712 VanDerWaalsContact C-N 3.31Å; Y710-L712 HydrophobicContact CD1-CD2 3.82Å; Y710-L712 HydrophobicContact CD1-CG 3.92Å; Y710-L712 HydrophobicContact CE1-CD2 4.02Å; Y710-L712 PolarHBondContact O-N 3.08Å; Y710-V715 HydrophobicContact CE1-CB 4.14Å; Y710-V715 HydrophobicContact CE1-CG1 4.33Å; Y710-V715 HydrophobicContact CE1-CG2 3.82Å; Y710-A738 HydrophobicContact CE2-CB 4.49Å; Y710-A738 VanDerWaalsContact CE2-O 3.25Å; Y710-A738 WeakPolarHBondContact CE2-O 3.36Å; Y710-A738 PolarHBondContact OH-O 3.13Å; Y710-F740 HydrophobicContact CD2-CE1 4.17Å; Y710-F740 HydrophobicContact CD2-CZ 4.19Å; Y710-F740 HydrophobicContact CE2-CD1 4.45Å; Y710-F740 HydrophobicContact CE2-CE1 4.03Å; Y710-F740 HydrophobicContact CE2-CZ 4.48Å; Y710-P742 HydrophobicContact CD2-CG 4.12Å | ||
| 711 | P | 89.3 | Confident | 92.2 | Very high | 3 Ų | 3 | 3.7 Ų | 3.7 | 2% | 0.019 | 2% | 0.02 | C | C | . | . | trans | -80.8 | 71.2 | -173.6 | 33.8 | -36.4 | 0 | 0 | 0 | 112.4 | A713 Y714 V715 S731 V732 Y997 | P711-A713 PolarHBondContact O-N 3.17Å; P711-Y714 HydrophobicContact CG-CD1 4.48Å; P711-Y714 PolarHBondContact O-N 2.77Å; P711-V715 HydrophobicContact CG-CG2 4.28Å; P711-V715 WeakPolarHBondContact O-CG2 3.38Å; P711-V715 PolarHBondContact O-N 3.07Å; P711-S731 WeakPolarHBondContact CG-OG 3.14Å; P711-V732 HydrophobicContact CG-CG2 4.15Å; P711-Y997 HydrophobicContact CB-CD1 4.3Å; P711-Y997 HydrophobicContact CB-CE1 3.93Å | ||
| 712 | L | 92.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 4.3 Ų | 4.3 | 1% | 0.005 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -51.6 | -52.2 | -171.7 | -78.2 | 166 | 0 | 0 | 0 | 113.8 | E613 V615 V625 E674 S701 A704 Y710 Y714 V715 A716 | E613-L712 HydrophobicContact CG-CD1 3.69Å; E613-L712 HydrophobicContact CG-CD2 4.13Å; V615-L712 HydrophobicContact CG2-CD2 3.49Å; V615-L712 VanDerWaalsContact CG2-CD2 3.49Å; V625-L712 HydrophobicContact CB-CD2 3.97Å; V625-L712 HydrophobicContact CG1-CD1 4.48Å; V625-L712 HydrophobicContact CG1-CD2 3.88Å; V625-L712 HydrophobicContact CG1-CG 4.27Å; V625-L712 HydrophobicContact CG2-CD2 3.82Å; E674-L712 HydrophobicContact CG-CD2 4.1Å; S701-L712 WeakPolarHBondContact O-CD1 3.39Å; A704-L712 HydrophobicContact CB-CD1 3.76Å; Y710-L712 VanDerWaalsContact C-N 3.31Å; Y710-L712 HydrophobicContact CD1-CD2 3.82Å; Y710-L712 HydrophobicContact CD1-CG 3.92Å; Y710-L712 HydrophobicContact CE1-CD2 4.02Å; Y710-L712 PolarHBondContact O-N 3.08Å; L712-Y714 VanDerWaalsContact C-N 3.33Å; L712-Y714 PolarHBondContact O-N 3.22Å; L712-V715 PolarHBondContact O-N 3.09Å; L712-A716 VanDerWaalsContact O-CB 3.28Å; L712-A716 WeakPolarHBondContact O-CB 3.39Å; L712-A716 PolarHBondContact O-N 3.06Å |
| 713 | A | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.3 | -36 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y424 Q428 F486 L697 P711 A717 | Y424-A713 HydrophobicContact CE1-CB 4.3Å; Q428-A713 HydrophobicContact CB-CB 3.69Å; Q428-A713 HydrophobicContact CG-CB 4.04Å; F486-A713 HydrophobicContact CE1-CB 4.46Å; F486-A713 WeakPolarHBondContact CE1-O 3.39Å; L697-A713 HydrophobicContact CD1-CB 4.06Å; L697-A713 HydrophobicContact CG-CB 4.48Å; P711-A713 PolarHBondContact O-N 3.17Å; A713-A717 WeakPolarHBondContact O-CB 3.38Å; A713-A717 PolarHBondContact O-N 2.81Å |
| 714 | Y | 92.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 8.5 Ų | 8.5 | 9% | 0.094 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67.6 | -47.1 | 175.6 | 170.3 | -92 | 0 | 0 | 0 | 111.2 | A432 E435 P711 L712 A717 K718 | A432-Y714 HydrophobicContact CB-CD2 3.75Å; A432-Y714 HydrophobicContact CB-CE2 3.95Å; E435-Y714 VanDerWaalsContact OE2-CE2 3.26Å; E435-Y714 WeakPolarHBondContact OE2-CE2 3.28Å; E435-Y714 PolarHBondContact OE2-OH 3.46Å; P711-Y714 HydrophobicContact CG-CD1 4.48Å; P711-Y714 PolarHBondContact O-N 2.77Å; L712-Y714 VanDerWaalsContact C-N 3.33Å; L712-Y714 PolarHBondContact O-N 3.22Å; Y714-A717 PolarHBondContact O-N 3.41Å; Y714-K718 HydrophobicContact CE1-CG 4.15Å; Y714-K718 PolarHBondContact O-N 3.47Å; Y714-K718 WeakPolarHBondContact OH-CE 3.29Å |
| 715 | V | 94.1 | Very high | 92 | Very high | 2 Ų | 2 | 8.5 Ų | 8.5 | 1% | 0.012 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | V615 Y710 P711 L712 A717 K718 L719 L725 I728 A738 | V615-V715 HydrophobicContact CG1-CG1 4.16Å; Y710-V715 HydrophobicContact CE1-CB 4.14Å; Y710-V715 HydrophobicContact CE1-CG1 4.33Å; Y710-V715 HydrophobicContact CE1-CG2 3.82Å; P711-V715 HydrophobicContact CG-CG2 4.28Å; P711-V715 WeakPolarHBondContact O-CG2 3.38Å; P711-V715 PolarHBondContact O-N 3.07Å; L712-V715 PolarHBondContact O-N 3.09Å; V715-A717 VanDerWaalsContact C-N 3.26Å; V715-A717 PolarHBondContact O-N 3.05Å; V715-K718 PolarHBondContact O-N 2.78Å; V715-L719 HydrophobicContact CG1-CD1 4.05Å; V715-L719 HydrophobicContact CG1-CG 4.18Å; V715-L719 VanDerWaalsContact O-CG 3.31Å; V715-L719 WeakPolarHBondContact O-CG 3.47Å; V715-L719 PolarHBondContact O-N 2.78Å; V715-L725 HydrophobicContact CG1-CD1 3.61Å; V715-I728 HydrophobicContact CG1-CD1 4.29Å; V715-I728 HydrophobicContact CG2-CG2 4.46Å; V715-A738 HydrophobicContact CG2-CB 4.3Å |
| 716 | A | 94.7 | Very high | 92 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 3% | 0.025 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.6 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F486 E674 L697 L712 L719 A720 | F486-A716 HydrophobicContact CE1-CB 4.39Å; F486-A716 HydrophobicContact CZ-CB 4.23Å; E674-A716 HydrophobicContact CB-CB 4.11Å; L697-A716 HydrophobicContact CD2-CB 4.42Å; L712-A716 VanDerWaalsContact O-CB 3.28Å; L712-A716 WeakPolarHBondContact O-CB 3.39Å; L712-A716 PolarHBondContact O-N 3.06Å; A716-L719 PolarHBondContact O-N 2.81Å; A716-A720 PolarHBondContact O-N 3.2Å |
| 717 | A | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.4 | -37.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A429 A432 M433 F486 A713 Y714 V715 A720 | A429-A717 HydrophobicContact CB-CB 4.08Å; A432-A717 HydrophobicContact CB-CB 3.61Å; M433-A717 HydrophobicContact CE-CB 4.08Å; M433-A717 WeakPolarHBondContact CE-O 3.28Å; F486-A717 HydrophobicContact CE1-CB 4.21Å; F486-A717 HydrophobicContact CZ-CB 3.82Å; A713-A717 WeakPolarHBondContact O-CB 3.38Å; A713-A717 PolarHBondContact O-N 2.81Å; Y714-A717 PolarHBondContact O-N 3.41Å; V715-A717 VanDerWaalsContact C-N 3.26Å; V715-A717 PolarHBondContact O-N 3.05Å; A717-A720 WeakPolarHBondContact O-CB 3.31Å; A717-A720 PolarHBondContact O-N 3.17Å |
| 718 | K | 94.1 | Very high | 91.6 | Very high | 15 Ų | 15 | 15.5 Ų | 15.5 | 7% | 0.065 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.7 | -40.2 | 172.9 | -68.2 | -64.2 | -171.4 | -175.5 | 0 | 111.7 | A432 E435 S436 Y714 V715 A720 L721 L723 I728 | A432-K718 HydrophobicContact CB-CD 4.13Å; A432-K718 HydrophobicContact CB-CG 4.25Å; A432-K718 PolarHBondContact O-NZ 3.09Å; E435-K718 IonicContact OE2-NZ 3.78Å; E435-K718 PolarHBondContact OE2-NZ 2.62Å; E435-K718 VanDerWaalsContact OE2-NZ 3.16Å; S436-K718 PolarHBondContact OG-NZ 2.82Å; Y714-K718 HydrophobicContact CE1-CG 4.15Å; Y714-K718 PolarHBondContact O-N 3.47Å; Y714-K718 WeakPolarHBondContact OH-CE 3.29Å; V715-K718 PolarHBondContact O-N 2.78Å; K718-A720 VanDerWaalsContact C-N 3.28Å; K718-A720 PolarHBondContact O-N 3.25Å; K718-L721 WeakPolarHBondContact O-CB 3.42Å; K718-L721 PolarHBondContact O-N 3.41Å; K718-L721 VanDerWaalsContact O-N 3.1Å; K718-L723 HydrophobicContact CB-CD1 4.05Å; K718-L723 HydrophobicContact CD-CD1 4.1Å; K718-I728 HydrophobicContact CB-CD1 3.67Å; K718-I728 HydrophobicContact CB-CG1 4.32Å |
| 719 | L | 94.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.3 | -35.9 | 174.7 | -67.2 | -178.4 | 0 | 0 | 0 | 112.2 | V615 D617 V715 A716 L721 G722 L723 L725 I728 | V615-L719 HydrophobicContact CG1-CD1 3.4Å; V615-L719 VanDerWaalsContact CG1-CD1 3.4Å; D617-L719 HydrophobicContact CB-CD2 3.5Å; V715-L719 HydrophobicContact CG1-CD1 4.05Å; V715-L719 HydrophobicContact CG1-CG 4.18Å; V715-L719 VanDerWaalsContact O-CG 3.31Å; V715-L719 WeakPolarHBondContact O-CG 3.47Å; V715-L719 PolarHBondContact O-N 2.78Å; A716-L719 PolarHBondContact O-N 2.81Å; L719-L721 PolarHBondContact O-N 2.94Å; L719-L721 VanDerWaalsContact O-N 3.14Å; L719-G722 PolarHBondContact O-N 3.28Å; L719-L723 VanDerWaalsContact CD2-O 3.28Å; L719-L723 WeakPolarHBondContact CD2-O 3.34Å; L719-L725 HydrophobicContact CD1-CD1 4.32Å; L719-L725 HydrophobicContact CD2-CB 4.08Å; L719-L725 HydrophobicContact CD2-CD1 4.21Å; L719-I728 HydrophobicContact CD2-CD1 3.58Å; L719-I728 HydrophobicContact CG-CD1 4.02Å |
| 720 | A | 92.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 7% | 0.066 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | L483 L512 A716 A717 K718 G722 | L483-A720 HydrophobicContact CD2-CB 3.64Å; L512-A720 HydrophobicContact CB-CB 4.31Å; A716-A720 PolarHBondContact O-N 3.2Å; A717-A720 WeakPolarHBondContact O-CB 3.31Å; A717-A720 PolarHBondContact O-N 3.17Å; K718-A720 VanDerWaalsContact C-N 3.28Å; K718-A720 PolarHBondContact O-N 3.25Å; A720-G722 VanDerWaalsContact C-N 3.34Å |
| 721 | L | 91.9 | Very high | 89.4 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -1.3 | 173.2 | -59.8 | 176.1 | 0 | 0 | 0 | 113.4 | M402 P403 M433 I438 K718 L719 | M402-L721 HydrophobicContact CE-CD1 4.35Å; M402-L721 HydrophobicContact SD-CB 4.21Å; P403-L721 HydrophobicContact CG-CD2 3.94Å; M433-L721 HydrophobicContact CE-CD1 3.93Å; M433-L721 HydrophobicContact CE-CD2 3.83Å; M433-L721 HydrophobicContact CE-CG 3.77Å; M433-L721 HydrophobicContact SD-CD1 4.24Å; M433-L721 HydrophobicContact SD-CD2 3.79Å; M433-L721 HydrophobicContact SD-CG 4.28Å; I438-L721 HydrophobicContact CD1-CD1 3.62Å; I438-L721 HydrophobicContact CD1-CD2 3.44Å; I438-L721 VanDerWaalsContact CD1-CD2 3.44Å; I438-L721 HydrophobicContact CD1-CG 4.19Å; K718-L721 WeakPolarHBondContact O-CB 3.42Å; K718-L721 PolarHBondContact O-N 3.41Å; K718-L721 VanDerWaalsContact O-N 3.1Å; L719-L721 PolarHBondContact O-N 2.94Å; L719-L721 VanDerWaalsContact O-N 3.14Å |
| 722 | G | 88.7 | Confident | 88.2 | Confident | 14 Ų | 14 | 24.6 Ų | 24.6 | 14% | 0.144 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 22.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y619 L719 A720 | Y619-G722 VanDerWaalsContact CE2-O 3.25Å; Y619-G722 WeakPolarHBondContact CE2-O 3.4Å; Y619-G722 PolarHBondContact OH-O 3.43Å; L719-G722 PolarHBondContact O-N 3.28Å; A720-G722 VanDerWaalsContact C-N 3.34Å |
| 723 | L | 90.1 | Very high | 87 | Confident | 65 Ų | 65 | 25 Ų | 25 | 34% | 0.34 | 14% | 0.135 | S | C | . | . | trans | -77.2 | 134.3 | 171.1 | -65.1 | 174.3 | 0 | 0 | 0 | 110.3 | K718 L719 I728 | K718-L723 HydrophobicContact CB-CD1 4.05Å; K718-L723 HydrophobicContact CD-CD1 4.1Å; L719-L723 VanDerWaalsContact CD2-O 3.28Å; L719-L723 WeakPolarHBondContact CD2-O 3.34Å; L723-I728 HydrophobicContact CB-CD1 4.42Å; L723-I728 HydrophobicContact CB-CG1 4.36Å | ||
| 724 | P | 90.8 | Very high | 85.8 | Confident | 29 Ų | 29 | 26.7 Ų | 26.7 | 19% | 0.188 | 15% | 0.153 | C | C | . | . | trans | -63.7 | 139.2 | 171.1 | -18.5 | 30.7 | 0 | 0 | 0 | 111.5 | D617 Y619 P726 D727 I728 | D617-P724 WeakPolarHBondContact OD2-CA 3.46Å; Y619-P724 HydrophobicContact CD2-CB 3.84Å; Y619-P724 HydrophobicContact CD2-CG 3.75Å; Y619-P724 HydrophobicContact CE2-CB 4.08Å; Y619-P724 HydrophobicContact CE2-CG 3.51Å; P724-P726 VanDerWaalsContact C-CD 3.47Å; P724-P726 VanDerWaalsContact C-N 3.35Å; P724-D727 HydrophobicContact CB-CB 4.45Å; P724-D727 WeakPolarHBondContact CG-OD2 3.34Å; P724-D727 PolarHBondContact O-N 3.19Å; P724-D727 VanDerWaalsContact O-N 3.14Å; P724-I728 PolarHBondContact O-N 3.28Å | ||
| 725 | L | 92.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -57.6 | -39.8 | 179.1 | -174.5 | 60.1 | 0 | 0 | 0 | 113.2 | V615 D617 N621 I623 V715 L719 D727 I728 A738 C739 | V615-L725 HydrophobicContact CG1-CD1 4.19Å; V615-L725 HydrophobicContact CG1-CD2 4.16Å; D617-L725 HydrophobicContact CB-CB 4.1Å; D617-L725 PolarHBondContact OD2-N 2.89Å; N621-L725 HydrophobicContact CB-CB 4.26Å; I623-L725 HydrophobicContact CD1-CD2 3.82Å; I623-L725 HydrophobicContact CG1-CD2 3.82Å; V715-L725 HydrophobicContact CG1-CD1 3.61Å; L719-L725 HydrophobicContact CD1-CD1 4.32Å; L719-L725 HydrophobicContact CD2-CB 4.08Å; L719-L725 HydrophobicContact CD2-CD1 4.21Å; L725-D727 PolarHBondContact O-N 2.76Å; L725-I728 HydrophobicContact CD1-CD1 4.45Å; L725-I728 PolarHBondContact O-N 2.95Å; L725-A738 HydrophobicContact CD1-CB 4.14Å; L725-C739 HydrophobicContact CB-CB 4.33Å; L725-C739 HydrophobicContact CD2-CB 4.1Å; L725-C739 HydrophobicContact CG-CB 3.74Å |
| 726 | P | 91.3 | Very high | 84.1 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -62.2 | -28.8 | 177.6 | -25.7 | 37 | 0 | 0 | 0 | 114.5 | L298 C305 N621 P724 I728 T737 C739 | L298-P726 HydrophobicContact CD2-CB 3.89Å; L298-P726 HydrophobicContact CD2-CG 4.06Å; C305-P726 HydrophobicContact CB-CB 4.48Å; C305-P726 HydrophobicContact CB-CG 3.61Å; N621-P726 WeakPolarHBondContact ND2-CD 3.31Å; P724-P726 VanDerWaalsContact C-CD 3.47Å; P724-P726 VanDerWaalsContact C-N 3.35Å; P726-I728 VanDerWaalsContact C-N 3.33Å; P726-T737 VanDerWaalsContact CA-OG1 3.25Å; P726-T737 WeakPolarHBondContact CA-OG1 3.43Å; P726-T737 PolarHBondContact O-OG1 2.88Å; P726-C739 HydrophobicContact CB-CB 4.32Å; P726-C739 HydrophobicContact CG-CB 4.07Å |
| 727 | D | 89.1 | Confident | 83.8 | Confident | 119 Ų | 119 | 33.5 Ų | 33.5 | 64% | 0.636 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -81.9 | -15.6 | -178.2 | -64.4 | -13.6 | 0 | 0 | 0 | 112.3 | P724 L725 K729 | P724-D727 HydrophobicContact CB-CB 4.45Å; P724-D727 WeakPolarHBondContact CG-OD2 3.34Å; P724-D727 PolarHBondContact O-N 3.19Å; P724-D727 VanDerWaalsContact O-N 3.14Å; L725-D727 PolarHBondContact O-N 2.76Å; D727-K729 PolarHBondContact O-N 2.99Å |
| 728 | I | 89.1 | Confident | 83.6 | Confident | 12 Ų | 12 | 33.6 Ų | 33.6 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -78.1 | 113.2 | 173.3 | -60 | 172.1 | 0 | 0 | 0 | 107.3 | V715 K718 L719 L723 P724 L725 P726 A738 | V715-I728 HydrophobicContact CG1-CD1 4.29Å; V715-I728 HydrophobicContact CG2-CG2 4.46Å; K718-I728 HydrophobicContact CB-CD1 3.67Å; K718-I728 HydrophobicContact CB-CG1 4.32Å; L719-I728 HydrophobicContact CD2-CD1 3.58Å; L719-I728 HydrophobicContact CG-CD1 4.02Å; L723-I728 HydrophobicContact CB-CD1 4.42Å; L723-I728 HydrophobicContact CB-CG1 4.36Å; P724-I728 PolarHBondContact O-N 3.28Å; L725-I728 HydrophobicContact CD1-CD1 4.45Å; L725-I728 PolarHBondContact O-N 2.95Å; P726-I728 VanDerWaalsContact C-N 3.33Å; I728-A738 HydrophobicContact CB-CB 4.08Å; I728-A738 HydrophobicContact CG2-CB 3.89Å; I728-A738 VanDerWaalsContact O-CB 3.24Å; I728-A738 WeakPolarHBondContact O-CB 3.33Å; I728-A738 PolarHBondContact O-N 2.71Å |
| 729 | K | 82.2 | Confident | 83.5 | Confident | 146 Ų | 146 | 32.9 Ų | 32.9 | 64% | 0.635 | 19% | 0.189 | S | C | * | . | B | Isolated β-bridge | trans | -67.3 | 139.4 | 170 | -67 | -170.1 | 174.1 | -166.2 | 0 | 109.7 | D727 S731 | D727-K729 PolarHBondContact O-N 2.99Å; K729-S731 PolarHBondContact O-N 3.29Å |
| 730 | N | 74.3 | Confident | 83.2 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | trans | -62.4 | 107.3 | 168.3 | -179.2 | -5.8 | 0 | 0 | 0 | 108.2 | V732 T733 G734 T736 F740 | N730-V732 PolarHBondContact O-N 3.05Å; N730-V732 VanDerWaalsContact O-N 3.14Å; N730-V732 WeakPolarHBondContact OD1-CB 3.27Å; N730-V732 PolarHBondContact OD1-N 3.37Å; N730-T733 WeakPolarHBondContact CB-OG1 3.47Å; N730-T733 VanDerWaalsContact ND2-CG2 3.28Å; N730-T733 WeakPolarHBondContact ND2-CG2 3.38Å; N730-T733 PolarHBondContact O-N 3.43Å; N730-T733 PolarHBondContact O-OG1 2.91Å; N730-G734 WeakPolarHBondContact O-CA 3.47Å; N730-G734 PolarHBondContact O-N 2.91Å; N730-T736 WeakPolarHBondContact CB-O 3.45Å; N730-T736 PolarHBondContact N-O 2.87Å; N730-F740 HydrophobicContact CB-CE1 4.42Å | ||
| 731 | S | 67 | Low | 83.1 | Confident | 42 Ų | 42 | 32.8 Ų | 32.8 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.5 | -176.1 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | P711 K729 Y997 | P711-S731 WeakPolarHBondContact CG-OG 3.14Å; K729-S731 PolarHBondContact O-N 3.29Å; S731-Y997 PolarHBondContact OG-OH 3.16Å |
| 732 | V | 63.6 | Low | 83.1 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -27.1 | 179.9 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | G709 P711 N730 S927 T928 Y997 | G709-V732 WeakPolarHBondContact O-CG2 3.47Å; P711-V732 HydrophobicContact CG-CG2 4.15Å; N730-V732 PolarHBondContact O-N 3.05Å; N730-V732 VanDerWaalsContact O-N 3.14Å; N730-V732 WeakPolarHBondContact OD1-CB 3.27Å; N730-V732 PolarHBondContact OD1-N 3.37Å; V732-S927 CarbonylContact O-C 3.4Å; V732-S927 WeakPolarHBondContact O-CB 3.16Å; V732-T928 HydrophobicContact CG1-CG2 3.2Å; V732-Y997 HydrophobicContact CG2-CD1 4.26Å; V732-Y997 HydrophobicContact CG2-CD2 3.79Å; V732-Y997 HydrophobicContact CG2-CE2 4.19Å; V732-Y997 HydrophobicContact CG2-CG 3.82Å |
| 733 | T | 67.1 | Low | 83.2 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -25.7 | -176.9 | 68.1 | 0 | 0 | 0 | 0 | 112.9 | N730 N735 T736 E923 | N730-T733 WeakPolarHBondContact CB-OG1 3.47Å; N730-T733 VanDerWaalsContact ND2-CG2 3.28Å; N730-T733 WeakPolarHBondContact ND2-CG2 3.38Å; N730-T733 PolarHBondContact O-N 3.43Å; N730-T733 PolarHBondContact O-OG1 2.91Å; T733-N735 PolarHBondContact O-N 2.73Å; T733-N735 VanDerWaalsContact O-N 3.12Å; T733-T736 PolarHBondContact OG1-N 3.06Å; T733-T736 PolarHBondContact OG1-OG1 3.03Å; T733-E923 WeakPolarHBondContact CB-OE1 3.32Å; T733-E923 WeakPolarHBondContact CG2-OE1 3.13Å; T733-E923 WeakPolarHBondContact CG2-OE2 3.45Å |
| 734 | G | 67.5 | Low | 83.4 | Confident | 36 Ų | 36 | 29.3 Ų | 29.3 | 37% | 0.371 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 76.4 | -19.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.7 | N730 | N730-G734 WeakPolarHBondContact O-CA 3.47Å; N730-G734 PolarHBondContact O-N 2.91Å |
| 735 | N | 71.2 | Confident | 83.6 | Confident | 143 Ų | 143 | 28 Ų | 28 | 77% | 0.765 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -115.3 | -36.4 | -170.7 | -67.4 | -28.7 | 0 | 0 | 0 | 114.2 | T733 | T733-N735 PolarHBondContact O-N 2.73Å; T733-N735 VanDerWaalsContact O-N 3.12Å |
| 736 | T | 80.1 | Confident | 83.8 | Confident | 20 Ų | 20 | 28 Ų | 28 | 12% | 0.123 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -84.6 | 153.4 | -178.4 | 45.6 | 0 | 0 | 0 | 0 | 111.2 | N333 N730 T733 E923 | N333-T736 HydrophobicContact CB-CG2 4.2Å; N333-T736 WeakPolarHBondContact OD1-CB 3.41Å; N730-T736 WeakPolarHBondContact CB-O 3.45Å; N730-T736 PolarHBondContact N-O 2.87Å; T733-T736 PolarHBondContact OG1-N 3.06Å; T733-T736 PolarHBondContact OG1-OG1 3.03Å; T736-E923 WeakPolarHBondContact CG2-OE1 3.38Å; T736-E923 PolarHBondContact OG1-OE1 2.78Å |
| 737 | T | 87.8 | Confident | 84 | Confident | 10 Ų | 10 | 27.1 Ų | 27.1 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -66.5 | 153.6 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | P296 A332 N333 P726 C739 F740 | P296-T737 HydrophobicContact CB-CG2 4.35Å; P296-T737 HydrophobicContact CG-CG2 3.98Å; A332-T737 HydrophobicContact CB-CG2 3.86Å; N333-T737 WeakPolarHBondContact OD1-CG2 3.39Å; N333-T737 PolarHBondContact OD1-N 2.9Å; P726-T737 VanDerWaalsContact CA-OG1 3.25Å; P726-T737 WeakPolarHBondContact CA-OG1 3.43Å; P726-T737 PolarHBondContact O-OG1 2.88Å; T737-C739 HydrophobicContact CG2-CB 4.07Å; T737-C739 PolarHBondContact O-N 3.27Å; T737-C739 PolarHBondContact OG1-N 2.92Å; T737-C739 VanDerWaalsContact OG1-N 3.11Å; T737-F740 WeakPolarHBondContact O-CD1 3.38Å; T737-F740 VanDerWaalsContact O-CE1 3.31Å; T737-F740 WeakPolarHBondContact O-CE1 3.46Å |
| 738 | A | 89.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -74.6 | -10.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y710 V715 L725 I728 F740 | Y710-A738 HydrophobicContact CE2-CB 4.49Å; Y710-A738 VanDerWaalsContact CE2-O 3.25Å; Y710-A738 WeakPolarHBondContact CE2-O 3.36Å; Y710-A738 PolarHBondContact OH-O 3.13Å; V715-A738 HydrophobicContact CG2-CB 4.3Å; L725-A738 HydrophobicContact CD1-CB 4.14Å; I728-A738 HydrophobicContact CB-CB 4.08Å; I728-A738 HydrophobicContact CG2-CB 3.89Å; I728-A738 VanDerWaalsContact O-CB 3.24Å; I728-A738 WeakPolarHBondContact O-CB 3.33Å; I728-A738 PolarHBondContact O-N 2.71Å; A738-F740 VanDerWaalsContact C-N 3.31Å; A738-F740 PolarHBondContact O-N 3.01Å |
| 739 | C | 91.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -83.1 | 67.6 | 178 | -165 | 0 | 0 | 0 | 0 | 111.6 | P296 C305 M307 L725 P726 T737 | P296-C739 WeakPolarHBondContact CB-O 3.3Å; C305-C739 VanDerWaalsContact CB-SG 3.59Å; C305-C739 VanDerWaalsContact SG-SG 3.63Å; M307-C739 WeakPolarHBondContact CE-O 3.42Å; L725-C739 HydrophobicContact CB-CB 4.33Å; L725-C739 HydrophobicContact CD2-CB 4.1Å; L725-C739 HydrophobicContact CG-CB 3.74Å; P726-C739 HydrophobicContact CB-CB 4.32Å; P726-C739 HydrophobicContact CG-CB 4.07Å; T737-C739 HydrophobicContact CG2-CB 4.07Å; T737-C739 PolarHBondContact O-N 3.27Å; T737-C739 PolarHBondContact OG1-N 2.92Å; T737-C739 VanDerWaalsContact OG1-N 3.11Å | ||
| 740 | F | 88.5 | Confident | 85.5 | Confident | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -148.4 | 159 | 172.8 | 72.4 | -75.7 | 0 | 0 | 0 | 110.2 | P296 I623 Y710 N730 T737 A738 P742 T919 V920 | P296-F740 HydrophobicContact CG-CB 4.17Å; I623-F740 WeakPolarHBondContact CD1-O 3.47Å; Y710-F740 HydrophobicContact CD2-CE1 4.17Å; Y710-F740 HydrophobicContact CD2-CZ 4.19Å; Y710-F740 HydrophobicContact CE2-CD1 4.45Å; Y710-F740 HydrophobicContact CE2-CE1 4.03Å; Y710-F740 HydrophobicContact CE2-CZ 4.48Å; N730-F740 HydrophobicContact CB-CE1 4.42Å; T737-F740 WeakPolarHBondContact O-CD1 3.38Å; T737-F740 VanDerWaalsContact O-CE1 3.31Å; T737-F740 WeakPolarHBondContact O-CE1 3.46Å; A738-F740 VanDerWaalsContact C-N 3.31Å; A738-F740 PolarHBondContact O-N 3.01Å; F740-P742 HydrophobicContact CE2-CB 4.48Å; F740-P742 HydrophobicContact CE2-CG 4.13Å; F740-T919 HydrophobicContact CE2-CG2 3.62Å; F740-T919 HydrophobicContact CZ-CG2 3.41Å; F740-T919 VanDerWaalsContact CZ-CG2 3.41Å; F740-V920 HydrophobicContact CD2-CG1 3.76Å; F740-V920 HydrophobicContact CE2-CG1 3.47Å; F740-V920 VanDerWaalsContact CE2-CG1 3.47Å; F740-V920 HydrophobicContact CZ-CG1 4.33Å |
| 741 | E | 92.2 | Very high | 86.6 | Confident | 5 Ų | 5 | 14.2 Ų | 14.2 | 2% | 0.023 | 9% | 0.09 | C | C | . | . | trans | -93.6 | 122 | 173.4 | -59 | -174.9 | 172.5 | 0 | 0 | 109 | N294 M307 I623 T624 R659 | N294-E741 HydrophobicContact CB-CB 3.92Å; N294-E741 VanDerWaalsContact CB-O 3.32Å; N294-E741 WeakPolarHBondContact CB-O 3.31Å; N294-E741 PolarHBondContact ND2-O 2.87Å; M307-E741 HydrophobicContact CG-CG 3.95Å; M307-E741 HydrophobicContact SD-CG 4.09Å; I623-E741 HydrophobicContact CB-CG 3.96Å; I623-E741 HydrophobicContact CG2-CG 4.42Å; T624-E741 PolarHBondContact N-OE1 3.18Å; T624-E741 VanDerWaalsContact O-CB 3.25Å; T624-E741 WeakPolarHBondContact O-CB 3.39Å; T624-E741 WeakPolarHBondContact O-CG 3.47Å; T624-E741 VanDerWaalsContact OG1-CD 3.22Å; T624-E741 PolarHBondContact OG1-OE1 3.03Å; T624-E741 PolarHBondContact OG1-OE2 2.84Å; R659-E741 IonicContact CZ-OE1 3.1Å; R659-E741 IonicContact CZ-OE2 3.3Å; R659-E741 IonicContact NE-OE1 2.71Å; R659-E741 PolarHBondContact NE-OE1 3.33Å; R659-E741 IonicContact NE-OE2 3.81Å; R659-E741 PolarHBondContact NE-OE2 2.96Å; R659-E741 IonicContact NH2-OE1 3.69Å; R659-E741 PolarHBondContact NH2-OE1 3.43Å; R659-E741 IonicContact NH2-OE2 2.82Å | ||
| 742 | P | 91.3 | Very high | 88 | Confident | 6 Ų | 6 | 12.2 Ų | 12.2 | 4% | 0.039 | 8% | 0.076 | C | C | . | . | trans | -55.9 | 154.7 | 176 | -29.2 | 36.7 | 0 | 0 | 0 | 114.8 | V625 T708 Y710 F740 T919 | V625-P742 HydrophobicContact CG1-CG 3.92Å; V625-P742 WeakPolarHBondContact O-CD 3.24Å; V625-P742 VanDerWaalsContact O-CG 3.3Å; V625-P742 WeakPolarHBondContact O-CG 3.23Å; T708-P742 HydrophobicContact CG2-CB 4.02Å; T708-P742 HydrophobicContact CG2-CG 4.23Å; Y710-P742 HydrophobicContact CD2-CG 4.12Å; F740-P742 HydrophobicContact CE2-CB 4.48Å; F740-P742 HydrophobicContact CE2-CG 4.13Å; P742-T919 CarbonylContact C-O 3.6Å; P742-T919 WeakPolarHBondContact CA-O 3.44Å; P742-T919 HydrophobicContact CB-CG2 4.06Å; P742-T919 VanDerWaalsContact CB-O 3.27Å; P742-T919 WeakPolarHBondContact CB-O 3.42Å; P742-T919 HydrophobicContact CG-CG2 3.98Å | ||
| 743 | S | 91.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 13.2 Ų | 13.2 | 3% | 0.028 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -130.6 | 131.9 | 167.5 | -73.7 | 0 | 0 | 0 | 0 | 109.1 | T42 N294 T919 V920 A921 | T42-S743 VanDerWaalsContact O-CB 3.25Å; T42-S743 WeakPolarHBondContact O-CB 3.41Å; T42-S743 PolarHBondContact O-OG 3.29Å; N294-S743 PolarHBondContact ND2-OG 3.25Å; S743-T919 PolarHBondContact N-O 3.5Å; S743-T919 CarbonylContact O-C 3.58Å; S743-V920 CarbonylContact O-C 3.53Å; S743-A921 WeakPolarHBondContact O-CB 3.42Å; S743-A921 PolarHBondContact O-N 3.09Å |
| 744 | L | 93.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | trans | -98.4 | 141.9 | -177.7 | -51.3 | -172.8 | 0 | 0 | 0 | 109.5 | M44 Y65 A645 T708 Y746 | M44-L744 HydrophobicContact SD-CB 3.96Å; M44-L744 HydrophobicContact SD-CG 4.07Å; M44-L744 PolarHBondContact SD-N 3.35Å; Y65-L744 VanDerWaalsContact CD2-O 3.27Å; Y65-L744 WeakPolarHBondContact CD2-O 3.32Å; A645-L744 HydrophobicContact CB-CD1 4.37Å; T708-L744 HydrophobicContact CG2-CD2 4.11Å; L744-Y746 HydrophobicContact CB-CE2 4.46Å; L744-Y746 HydrophobicContact CD1-CE2 4.44Å; L744-Y746 HydrophobicContact CD2-CE2 4.15Å; L744-Y746 WeakPolarHBondContact CD2-OH 3.33Å | ||
| 745 | D | 94 | Very high | 91.7 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -113.8 | 28 | 166.5 | 69.1 | -28 | 0 | 0 | 0 | 111.6 | T64 P66 R135 R781 A921 | T64-D745 WeakPolarHBondContact O-CB 3.23Å; P66-D745 WeakPolarHBondContact CD-O 3.46Å; P66-D745 WeakPolarHBondContact CG-O 3.49Å; R135-D745 IonicContact CZ-OD1 3.85Å; R135-D745 IonicContact CZ-OD2 2.78Å; R135-D745 VanDerWaalsContact CZ-OD2 3.3Å; R135-D745 IonicContact NE-OD1 2.86Å; R135-D745 IonicContact NE-OD2 2.77Å; R135-D745 PolarHBondContact NE-OD2 3.23Å; R135-D745 VanDerWaalsContact NH2-CG 3.29Å; R135-D745 IonicContact NH2-OD1 3.93Å; R135-D745 PolarHBondContact NH2-OD1 3.38Å; R135-D745 IonicContact NH2-OD2 2.88Å; R135-D745 PolarHBondContact NH2-OD2 3Å; R135-D745 VanDerWaalsContact NH2-OD2 3.1Å; D745-R781 VanDerWaalsContact CG-NH1 3.29Å; D745-R781 WeakPolarHBondContact O-CD 3.3Å; D745-R781 PolarHBondContact O-NE 2.74Å; D745-R781 PolarHBondContact O-NH1 2.96Å; D745-R781 IonicContact OD2-NH1 3.89Å; D745-R781 PolarHBondContact OD2-NH1 2.98Å; D745-A921 HydrophobicContact CB-CB 3.78Å |
| 746 | Y | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -149.2 | 164.2 | 176.6 | 45.7 | -90.3 | 0 | 0 | 0 | 108.3 | A707 L744 V748 I779 G780 I917 D918 Y932 | A707-Y746 VanDerWaalsContact O-CE2 3.26Å; A707-Y746 WeakPolarHBondContact O-CE2 3.43Å; A707-Y746 PolarHBondContact O-OH 3.27Å; L744-Y746 HydrophobicContact CB-CE2 4.46Å; L744-Y746 HydrophobicContact CD1-CE2 4.44Å; L744-Y746 HydrophobicContact CD2-CE2 4.15Å; L744-Y746 WeakPolarHBondContact CD2-OH 3.33Å; Y746-V748 HydrophobicContact CD2-CG2 3.77Å; Y746-V748 HydrophobicContact CE2-CG2 3.8Å; Y746-I779 HydrophobicContact CD2-CG2 3.58Å; Y746-I779 HydrophobicContact CE2-CG2 4.32Å; Y746-I779 HydrophobicContact CG-CG2 3.97Å; Y746-G780 WeakPolarHBondContact CB-O 3.45Å; Y746-I917 HydrophobicContact CD1-CD1 4.36Å; Y746-I917 HydrophobicContact CD2-CD1 4.14Å; Y746-I917 HydrophobicContact CE1-CD1 3.85Å; Y746-I917 HydrophobicContact CE2-CD1 3.54Å; Y746-I917 WeakPolarHBondContact OH-CG2 3.46Å; Y746-D918 PolarHBondContact OH-O 2.74Å; Y746-Y932 HydrophobicContact CD1-CE1 4.42Å |
| 747 | C | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.4 | 176 | -177.6 | 0 | 0 | 0 | 0 | 109 | L67 G780 | L67-C747 HydrophobicContact CD1-CB 4.43Å; C747-G780 PolarHBondContact N-O 2.93Å; C747-G780 PolarHBondContact O-N 2.91Å |
| 748 | V | 97.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.012 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.3 | 174.6 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | V644 A645 L703 A707 Y746 M777 A778 I779 | V644-V748 WeakPolarHBondContact CA-O 3.49Å; A645-V748 HydrophobicContact CB-CB 4.29Å; A645-V748 PolarHBondContact N-O 3.44Å; A645-V748 PolarHBondContact O-N 3.49Å; L703-V748 HydrophobicContact CD1-CG1 4.41Å; A707-V748 HydrophobicContact CB-CB 4.3Å; A707-V748 HydrophobicContact CB-CG1 4.05Å; A707-V748 HydrophobicContact CB-CG2 4.01Å; Y746-V748 HydrophobicContact CD2-CG2 3.77Å; Y746-V748 HydrophobicContact CE2-CG2 3.8Å; V748-M777 HydrophobicContact CG1-CE 3.63Å; V748-M777 HydrophobicContact CG1-CG 3.42Å; V748-M777 VanDerWaalsContact CG1-CG 3.42Å; V748-M777 HydrophobicContact CG1-SD 3.9Å; V748-M777 HydrophobicContact CG2-CE 4.02Å; V748-A778 WeakPolarHBondContact CA-O 3.37Å; V748-I779 HydrophobicContact CG2-CG1 4.4Å; V748-I779 HydrophobicContact CG2-CG2 4.5Å |
| 749 | V | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.7 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | I642 V643 V644 I751 A778 F783 A786 F787 A790 | I642-V749 HydrophobicContact CG2-CG1 3.91Å; V643-V749 WeakPolarHBondContact O-CA 3.44Å; V644-V749 HydrophobicContact CG1-CG2 4.49Å; V644-V749 HydrophobicContact CG2-CG2 4.39Å; V749-I751 HydrophobicContact CG1-CD1 4.46Å; V749-I751 HydrophobicContact CG1-CG1 4.07Å; V749-A778 PolarHBondContact N-O 3.24Å; V749-A778 PolarHBondContact O-N 2.91Å; V749-F783 HydrophobicContact CG2-CD2 4.02Å; V749-F783 HydrophobicContact CG2-CE2 4.03Å; V749-A786 HydrophobicContact CB-CB 4.15Å; V749-A786 HydrophobicContact CG2-CB 3.63Å; V749-F787 HydrophobicContact CG1-CD2 4.13Å; V749-A790 HydrophobicContact CB-CB 4.43Å; V749-A790 HydrophobicContact CG1-CB 4.06Å |
| 750 | K | 97.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.2 | 170.1 | -179.3 | -91.4 | -89.7 | 178.1 | 0 | 110.4 | T638 S641 I642 V643 L703 P752 E775 V776 | T638-K750 PolarHBondContact O-NZ 3.44Å; S641-K750 PolarHBondContact O-NZ 3.31Å; I642-K750 VanDerWaalsContact CA-O 3.3Å; I642-K750 WeakPolarHBondContact CA-O 3.4Å; I642-K750 WeakPolarHBondContact CG2-O 3.33Å; V643-K750 HydrophobicContact CB-CB 4.27Å; V643-K750 HydrophobicContact CG2-CD 4.5Å; V643-K750 PolarHBondContact N-O 3.37Å; V643-K750 PolarHBondContact O-N 2.8Å; L703-K750 HydrophobicContact CD1-CB 3.89Å; L703-K750 HydrophobicContact CD1-CG 4.23Å; L703-K750 HydrophobicContact CD2-CB 3.68Å; L703-K750 HydrophobicContact CD2-CG 4.02Å; L703-K750 HydrophobicContact CG-CB 4.45Å; K750-P752 HydrophobicContact CD-CG 4.37Å; K750-E775 HydrophobicContact CD-CB 4.05Å; K750-E775 VanDerWaalsContact CD-OE2 3.24Å; K750-E775 WeakPolarHBondContact CD-OE2 3.5Å; K750-E775 WeakPolarHBondContact CE-OE2 2.88Å; K750-E775 HydrophobicContact CG-CB 4.09Å; K750-E775 HydrophobicContact CG-CG 4.34Å; K750-E775 WeakPolarHBondContact CG-OE2 3.37Å; K750-E775 IonicContact NZ-OE2 2.66Å; K750-V776 WeakPolarHBondContact CA-O 3.34Å |
| 751 | I | 97.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.1 | 170.2 | -55.7 | -175.6 | 0 | 0 | 0 | 109.7 | I642 V749 W754 E775 V776 F787 A790 L791 V794 | I642-I751 HydrophobicContact CD1-CD1 4.08Å; I642-I751 HydrophobicContact CD1-CG1 4.11Å; I642-I751 HydrophobicContact CD1-CG2 4.37Å; I642-I751 HydrophobicContact CG1-CB 4.44Å; I642-I751 HydrophobicContact CG1-CD1 4.48Å; I642-I751 HydrophobicContact CG1-CG1 3.97Å; I642-I751 HydrophobicContact CG1-CG2 4.11Å; I642-I751 HydrophobicContact CG2-CG1 4.09Å; V749-I751 HydrophobicContact CG1-CD1 4.46Å; V749-I751 HydrophobicContact CG1-CG1 4.07Å; I751-W754 HydrophobicContact CG2-CZ3 4.48Å; I751-E775 WeakPolarHBondContact O-CA 3.4Å; I751-V776 HydrophobicContact CB-CG2 4.14Å; I751-V776 PolarHBondContact N-O 2.88Å; I751-V776 VanDerWaalsContact N-O 3.08Å; I751-V776 PolarHBondContact O-N 3Å; I751-F787 HydrophobicContact CD1-CE2 4.46Å; I751-A790 HydrophobicContact CB-CB 4.46Å; I751-A790 HydrophobicContact CD1-CB 3.48Å; I751-A790 VanDerWaalsContact CD1-CB 3.48Å; I751-A790 HydrophobicContact CG1-CB 3.69Å; I751-L791 HydrophobicContact CD1-CD2 3.72Å; I751-L791 HydrophobicContact CD1-CG 3.94Å; I751-V794 HydrophobicContact CB-CG2 3.68Å; I751-V794 HydrophobicContact CG2-CG2 3.57Å |
| 752 | P | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 153.9 | 174.4 | -14.9 | 28.8 | 0 | 0 | 0 | 112.7 | G639 S641 K750 W754 | G639-P752 WeakPolarHBondContact O-CG 3.14Å; S641-P752 WeakPolarHBondContact O-CD 3.46Å; S641-P752 WeakPolarHBondContact O-CG 3.11Å; K750-P752 HydrophobicContact CD-CG 4.37Å; P752-W754 HydrophobicContact CB-CH2 3.82Å; P752-W754 HydrophobicContact CB-CZ2 3.69Å; P752-W754 HydrophobicContact CB-CZ3 4.32Å; P752-W754 HydrophobicContact CG-CH2 3.87Å; P752-W754 HydrophobicContact CG-CZ2 3.88Å; P752-W754 WeakPolarHBondContact O-CZ3 3.23Å |
| 753 | R | 93.9 | Very high | 89.2 | Confident | 28 Ų | 28 | 25.7 Ų | 25.7 | 11% | 0.106 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.1 | 172.8 | 175.3 | 65.3 | -170.1 | -159.1 | 7.4 | 110.6 | D755 S772 V773 G774 V794 D795 V956 R958 | R753-D755 IonicContact CZ-OD1 3.61Å; R753-D755 IonicContact NE-OD1 3.73Å; R753-D755 PolarHBondContact NE-OD1 3.14Å; R753-D755 IonicContact NH2-OD1 2.74Å; R753-D755 PolarHBondContact NH2-OD1 3.09Å; R753-S772 CarbonylContact O-C 3.4Å; R753-S772 VanDerWaalsContact O-CA 3.27Å; R753-S772 WeakPolarHBondContact O-CA 3.47Å; R753-V773 HydrophobicContact CB-CG2 4.47Å; R753-V773 HydrophobicContact CG-CG2 4.03Å; R753-V773 WeakPolarHBondContact O-CG2 3.26Å; R753-V773 PolarHBondContact O-N 2.86Å; R753-G774 PolarHBondContact N-O 2.81Å; R753-V794 PolarHBondContact NH1-O 3.01Å; R753-D795 IonicContact NH1-OD1 2.98Å; R753-D795 IonicContact NH1-OD2 3.79Å; R753-V956 HydrophobicContact CB-CG2 3.55Å; R753-V956 HydrophobicContact CG-CG1 4.37Å; R753-V956 HydrophobicContact CG-CG2 3.97Å; R753-R958 HydrophobicContact CG-CB 4.41Å |
| 754 | W | 92.7 | Very high | 89 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 11% | 0.114 | 16% | 0.164 | C | C | . | . | trans | -119.9 | 136 | 175.6 | -60.4 | -84.5 | 0 | 0 | 0 | 111.5 | E640 I751 P752 L756 I766 D822 | E640-W754 HydrophobicContact CB-CZ2 4.45Å; E640-W754 WeakPolarHBondContact O-CZ2 3.3Å; E640-W754 PolarHBondContact OE2-NE1 3.01Å; I751-W754 HydrophobicContact CG2-CZ3 4.48Å; P752-W754 HydrophobicContact CB-CH2 3.82Å; P752-W754 HydrophobicContact CB-CZ2 3.69Å; P752-W754 HydrophobicContact CB-CZ3 4.32Å; P752-W754 HydrophobicContact CG-CH2 3.87Å; P752-W754 HydrophobicContact CG-CZ2 3.88Å; P752-W754 WeakPolarHBondContact O-CZ3 3.23Å; W754-L756 HydrophobicContact CB-CD1 4.49Å; W754-L756 HydrophobicContact CB-CG 4.18Å; W754-I766 HydrophobicContact CZ2-CG2 4.24Å; W754-D822 HydrophobicContact CB-CB 3.96Å; W754-D822 HydrophobicContact CD2-CB 3.91Å; W754-D822 HydrophobicContact CE3-CB 3.98Å; W754-D822 HydrophobicContact CG-CB 3.93Å | ||
| 755 | D | 88.6 | Confident | 88.8 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | trans | -114.6 | 33.8 | 174.3 | -80.1 | -2 | 0 | 0 | 0 | 111.6 | R753 A757 K758 I959 | R753-D755 IonicContact CZ-OD1 3.61Å; R753-D755 IonicContact NE-OD1 3.73Å; R753-D755 PolarHBondContact NE-OD1 3.14Å; R753-D755 IonicContact NH2-OD1 2.74Å; R753-D755 PolarHBondContact NH2-OD1 3.09Å; D755-A757 PolarHBondContact O-N 2.74Å; D755-K758 HydrophobicContact CB-CD 4.35Å; D755-K758 HydrophobicContact CB-CG 4.47Å; D755-K758 WeakPolarHBondContact O-CB 3.27Å; D755-K758 PolarHBondContact O-N 2.83Å; D755-I959 HydrophobicContact CB-CD1 3.96Å; D755-I959 HydrophobicContact CB-CG1 4.19Å; D755-I959 WeakPolarHBondContact OD2-CB 3.39Å; D755-I959 PolarHBondContact OD2-N 2.77Å | ||
| 756 | L | 86.1 | Confident | 88.6 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -62.3 | -27.4 | -176.6 | -58.6 | 179.4 | 0 | 0 | 0 | 113 | W754 K758 F759 V762 K771 D822 L1285 | W754-L756 HydrophobicContact CB-CD1 4.49Å; W754-L756 HydrophobicContact CB-CG 4.18Å; L756-K758 PolarHBondContact O-N 3.36Å; L756-K758 VanDerWaalsContact O-N 3.16Å; L756-F759 PolarHBondContact O-N 3.23Å; L756-V762 HydrophobicContact CD2-CG1 3.9Å; L756-K771 HydrophobicContact CD1-CD 4.36Å; L756-K771 HydrophobicContact CD2-CB 4.18Å; L756-K771 HydrophobicContact CD2-CD 4.2Å; L756-D822 HydrophobicContact CD1-CB 4.35Å; L756-L1285 HydrophobicContact CD2-CD2 3.78Å |
| 757 | A | 79.1 | Confident | 88.2 | Confident | 78 Ų | 78 | 36.3 Ų | 36.3 | 65% | 0.645 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -60.1 | -23.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D755 F759 | D755-A757 PolarHBondContact O-N 2.74Å; A757-F759 PolarHBondContact O-N 2.98Å |
| 758 | K | 78.3 | Confident | 87.6 | Confident | 50 Ų | 50 | 36.9 Ų | 36.9 | 22% | 0.217 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -69.8 | -17.4 | 175.7 | -59.8 | -166.6 | 174.7 | -167.2 | 0 | 113.1 | D755 L756 I959 E1295 | D755-K758 HydrophobicContact CB-CD 4.35Å; D755-K758 HydrophobicContact CB-CG 4.47Å; D755-K758 WeakPolarHBondContact O-CB 3.27Å; D755-K758 PolarHBondContact O-N 2.83Å; L756-K758 PolarHBondContact O-N 3.36Å; L756-K758 VanDerWaalsContact O-N 3.16Å; K758-I959 HydrophobicContact CD-CB 4.17Å; K758-I959 HydrophobicContact CD-CD1 4.34Å; K758-I959 HydrophobicContact CD-CG2 4.11Å; K758-I959 PolarHBondContact NZ-O 2.93Å; K758-E1295 WeakPolarHBondContact CG-OE1 3.41Å |
| 759 | F | 82.3 | Confident | 86.9 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | trans | -119.7 | 95.1 | -173.4 | -52.6 | -82.4 | 0 | 0 | 0 | 111 | L756 A757 R761 V762 I959 F1282 L1285 A1288 A1297 | L756-F759 PolarHBondContact O-N 3.23Å; A757-F759 PolarHBondContact O-N 2.98Å; F759-R761 PolarHBondContact O-N 3.42Å; F759-V762 HydrophobicContact CB-CB 3.8Å; F759-V762 HydrophobicContact CB-CG2 3.32Å; F759-V762 HydrophobicContact CG-CG2 4.06Å; F759-V762 PolarHBondContact O-N 2.91Å; F759-I959 HydrophobicContact CE2-CD1 3.74Å; F759-I959 HydrophobicContact CZ-CD1 3.84Å; F759-F1282 HydrophobicContact CE1-CE1 4.2Å; F759-L1285 HydrophobicContact CD2-CD1 3.89Å; F759-L1285 HydrophobicContact CE1-CD1 4.12Å; F759-L1285 HydrophobicContact CE2-CD1 3.44Å; F759-L1285 VanDerWaalsContact CE2-CD1 3.44Å; F759-L1285 HydrophobicContact CG-CD1 4.4Å; F759-L1285 HydrophobicContact CZ-CD1 3.57Å; F759-A1288 HydrophobicContact CD1-CB 3.92Å; F759-A1288 HydrophobicContact CG-CB 4.43Å; F759-A1297 HydrophobicContact CE1-CB 4.1Å; F759-A1297 HydrophobicContact CZ-CB 4.35Å | ||
| 760 | V | 70.1 | Confident | 86.4 | Confident | 129 Ų | 129 | 38.7 Ų | 38.7 | 78% | 0.782 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50 | -30.6 | -173.1 | -178 | 0 | 0 | 0 | 0 | 114.9 | ||
| 761 | R | 75.8 | Confident | 86.1 | Confident | 111 Ų | 111 | 39.9 Ų | 39.9 | 42% | 0.419 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -1.1 | -175 | -69.8 | -179.5 | -177.6 | -177.4 | 0.9 | 114.2 | F759 G1287 Y1428 | F759-R761 PolarHBondContact O-N 3.42Å; R761-G1287 WeakPolarHBondContact CB-O 3.33Å; R761-Y1428 VanDerWaalsContact NH1-CE2 3.3Å; R761-Y1428 VanDerWaalsContact NH1-CZ 3.3Å |
| 762 | V | 84.8 | Confident | 85.8 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -82.9 | 132.9 | -179.1 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | L756 F759 K764 L1285 A1286 A1288 | L756-V762 HydrophobicContact CD2-CG1 3.9Å; F759-V762 HydrophobicContact CB-CB 3.8Å; F759-V762 HydrophobicContact CB-CG2 3.32Å; F759-V762 HydrophobicContact CG-CG2 4.06Å; F759-V762 PolarHBondContact O-N 2.91Å; V762-K764 PolarHBondContact O-N 3.41Å; V762-L1285 HydrophobicContact CG1-CB 4.36Å; V762-L1285 HydrophobicContact CG1-CD2 4.18Å; V762-L1285 HydrophobicContact CG2-CB 3.92Å; V762-A1286 WeakPolarHBondContact CA-O 3.24Å; V762-A1288 HydrophobicContact CG2-CB 3.69Å |
| 763 | S | 83.6 | Confident | 85.6 | Confident | 51 Ų | 51 | 40.8 Ų | 40.8 | 36% | 0.357 | 22% | 0.22 | S | C | . | . | trans | -62.7 | 128.5 | 175.5 | 167.3 | 0 | 0 | 0 | 0 | 111 | H765 K771 | S763-H765 VanDerWaalsContact C-N 3.26Å; S763-H765 PolarHBondContact OG-CD2 3.43Å; S763-H765 VanDerWaalsContact OG-CD2 3.29Å; S763-H765 PolarHBondContact OG-N 3.1Å; S763-K771 PolarHBondContact O-NZ 3.14Å | ||
| 764 | K | 88 | Confident | 85.5 | Confident | 117 Ų | 117 | 39.4 Ų | 39.4 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | trans | -77.4 | -8.7 | 174.6 | -64.4 | -176.3 | -176.9 | 179.4 | 0 | 113.7 | V762 T821 D822 | V762-K764 PolarHBondContact O-N 3.41Å; K764-T821 HydrophobicContact CB-CG2 4.41Å; K764-T821 WeakPolarHBondContact O-CA 3.29Å; K764-T821 WeakPolarHBondContact O-CB 3.39Å; K764-D822 PolarHBondContact O-N 2.83Å | ||
| 765 | H | 89.3 | Confident | 85.6 | Confident | 83 Ų | 83 | 38 Ų | 38 | 38% | 0.384 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -66.8 | 134.2 | 177.7 | -62.4 | -76.3 | 0 | 0 | 0 | 110.8 | S763 K771 E819 P820 | S763-H765 VanDerWaalsContact C-N 3.26Å; S763-H765 PolarHBondContact OG-CD2 3.43Å; S763-H765 VanDerWaalsContact OG-CD2 3.29Å; S763-H765 PolarHBondContact OG-N 3.1Å; H765-K771 PolarHBondContact O-NZ 2.95Å; H765-E819 IonicContact CE1-OE2 3.35Å; H765-E819 PolarHBondContact CE1-OE2 2.87Å; H765-E819 IonicContact ND1-OE2 2.81Å; H765-E819 IonicContact NE2-OE2 3.64Å; H765-P820 VanDerWaalsContact CA-O 3.3Å; H765-P820 WeakPolarHBondContact CA-O 3.42Å |
| 766 | I | 89.7 | Confident | 86 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | trans | -100.1 | 146 | 172.3 | 58.8 | 174.1 | 0 | 0 | 0 | 108.8 | I636 W754 P820 | I636-I766 HydrophobicContact CD1-CD1 4.21Å; I636-I766 HydrophobicContact CD1-CG1 4.4Å; I636-I766 HydrophobicContact CG1-CG1 4.38Å; I636-I766 HydrophobicContact CG2-CD1 4.28Å; W754-I766 HydrophobicContact CZ2-CG2 4.24Å; I766-P820 HydrophobicContact CD1-CB 4.17Å; I766-P820 HydrophobicContact CG1-CB 3.78Å; I766-P820 HydrophobicContact CG1-CG 4.21Å; I766-P820 PolarHBondContact N-O 3.41Å | ||
| 767 | G | 87.4 | Confident | 86.5 | Confident | 21 Ų | 21 | 37.4 Ų | 37.4 | 22% | 0.216 | 21% | 0.206 | C | C | . | . | trans | -166.2 | -148.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G635 H637 S769 | G635-G767 CarbonylContact O-C 3.54Å; G635-G767 WeakPolarHBondContact O-CA 3Å; H637-G767 PolarHBondContact N-O 3.2Å; G767-S769 PolarHBondContact O-N 3.42Å; G767-S769 VanDerWaalsContact O-N 3.16Å | ||
| 768 | S | 84.8 | Confident | 87.4 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -71.3 | -6 | -175.6 | 61.2 | 0 | 0 | 0 | 0 | 115.7 | M563 S575 G576 G635 H637 | M563-S768 VanDerWaalsContact CE-CB 3.48Å; S575-S768 WeakPolarHBondContact CB-OG 3.41Å; S575-S768 PolarHBondContact O-OG 2.91Å; S575-S768 VanDerWaalsContact OG-C 3.28Å; S575-S768 WeakPolarHBondContact OG-CB 3.38Å; S575-S768 PolarHBondContact OG-O 2.96Å; S575-S768 PolarHBondContact OG-OG 3.12Å; G576-S768 PolarHBondContact N-OG 2.77Å; G635-S768 PolarHBondContact O-N 3.35Å; H637-S768 PolarHBondContact CD2-O 2.89Å |
| 769 | S | 83.2 | Confident | 88.3 | Confident | 27 Ų | 27 | 31.3 Ų | 31.3 | 19% | 0.189 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -115.1 | 132.4 | -179.4 | -156.8 | 0 | 0 | 0 | 0 | 110.7 | G572 G767 | G572-S769 WeakPolarHBondContact O-CB 3.39Å; G572-S769 PolarHBondContact O-OG 3.48Å; G767-S769 PolarHBondContact O-N 3.42Å; G767-S769 VanDerWaalsContact O-N 3.16Å |
| 770 | M | 86 | Confident | 89 | Confident | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | trans | -69.4 | 136.3 | -179.4 | -66.3 | 178.5 | 67.4 | 0 | 0 | 112.6 | I416 G571 H637 E640 | I416-M770 HydrophobicContact CG2-CB 4.29Å; I416-M770 VanDerWaalsContact CG2-O 3.3Å; I416-M770 WeakPolarHBondContact CG2-O 3.36Å; G571-M770 PolarHBondContact O-N 2.89Å; H637-M770 HydrophobicContact CB-CG 4.39Å; H637-M770 WeakPolarHBondContact CE1-CG 3.38Å; H637-M770 PolarHBondContact CE1-SD 3.12Å; H637-M770 VanDerWaalsContact ND1-CG 3.28Å; H637-M770 WeakPolarHBondContact ND1-CG 3.41Å; E640-M770 WeakPolarHBondContact OE1-CA 3.42Å | ||
| 771 | K | 91.1 | Very high | 90.2 | Very high | 29 Ų | 29 | 24.6 Ų | 24.6 | 13% | 0.126 | 13% | 0.126 | C | C | . | . | trans | -130.6 | -9.2 | 172.3 | -64.2 | 178.7 | -176.6 | 171.9 | 0 | 112.5 | E640 L756 S763 H765 | E640-K771 PolarHBondContact OE1-N 2.61Å; E640-K771 PolarHBondContact OE2-N 3.1Å; L756-K771 HydrophobicContact CD1-CD 4.36Å; L756-K771 HydrophobicContact CD2-CB 4.18Å; L756-K771 HydrophobicContact CD2-CD 4.2Å; S763-K771 PolarHBondContact O-NZ 3.14Å; H765-K771 PolarHBondContact O-NZ 2.95Å | ||
| 772 | S | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -67.1 | 138.1 | 178.5 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | G639 E640 R699 R753 | G639-S772 PolarHBondContact O-OG 3.28Å; E640-S772 VanDerWaalsContact OE1-CB 3.25Å; E640-S772 WeakPolarHBondContact OE1-CB 3.42Å; E640-S772 PolarHBondContact OE1-N 3.17Å; E640-S772 PolarHBondContact OE1-OG 2.83Å; E640-S772 VanDerWaalsContact OE1-OG 3.13Å; R699-S772 PolarHBondContact NH1-OG 2.9Å; R753-S772 CarbonylContact O-C 3.4Å; R753-S772 VanDerWaalsContact O-CA 3.27Å; R753-S772 WeakPolarHBondContact O-CA 3.47Å | ||
| 773 | V | 90.5 | Very high | 91.6 | Very high | 22 Ų | 22 | 19 Ų | 19 | 13% | 0.133 | 10% | 0.104 | C | C | . | . | trans | -97.4 | -16.2 | -177.6 | -66.3 | 0 | 0 | 0 | 0 | 113 | I416 R753 I959 T1299 | I416-V773 HydrophobicContact CD1-CG1 4.08Å; I416-V773 HydrophobicContact CG1-CG1 4Å; R753-V773 HydrophobicContact CB-CG2 4.47Å; R753-V773 HydrophobicContact CG-CG2 4.03Å; R753-V773 WeakPolarHBondContact O-CG2 3.26Å; R753-V773 PolarHBondContact O-N 2.86Å; V773-I959 HydrophobicContact CG1-CG1 4.32Å; V773-T1299 HydrophobicContact CG1-CG2 4.36Å | ||
| 774 | G | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | -170.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R753 E991 | R753-G774 PolarHBondContact N-O 2.81Å; G774-E991 WeakPolarHBondContact CA-OE2 3.12Å |
| 775 | E | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 164.9 | 178.3 | 63.5 | -175.2 | -168.9 | 0 | 0 | 113.5 | R699 K750 I751 N989 P990 E991 | R699-E775 WeakPolarHBondContact CD-OE2 3.38Å; R699-E775 VanDerWaalsContact CG-CD 3.43Å; R699-E775 WeakPolarHBondContact CG-OE1 3.31Å; R699-E775 WeakPolarHBondContact CG-OE2 3.2Å; K750-E775 HydrophobicContact CD-CB 4.05Å; K750-E775 VanDerWaalsContact CD-OE2 3.24Å; K750-E775 WeakPolarHBondContact CD-OE2 3.5Å; K750-E775 WeakPolarHBondContact CE-OE2 2.88Å; K750-E775 HydrophobicContact CG-CB 4.09Å; K750-E775 HydrophobicContact CG-CG 4.34Å; K750-E775 WeakPolarHBondContact CG-OE2 3.37Å; K750-E775 IonicContact NZ-OE2 2.66Å; I751-E775 WeakPolarHBondContact O-CA 3.4Å; E775-N989 PolarHBondContact O-OD1 2.81Å; E775-P990 HydrophobicContact CG-CG 3.9Å; E775-E991 HydrophobicContact CG-CG 3.94Å; E775-E991 PolarHBondContact N-OE2 2.83Å |
| 776 | V | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.6 | 173.6 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | K750 I751 A790 M793 V794 V956 Y988 | K750-V776 WeakPolarHBondContact CA-O 3.34Å; I751-V776 HydrophobicContact CB-CG2 4.14Å; I751-V776 PolarHBondContact N-O 2.88Å; I751-V776 VanDerWaalsContact N-O 3.08Å; I751-V776 PolarHBondContact O-N 3Å; V776-A790 HydrophobicContact CG2-CB 4.24Å; V776-A790 WeakPolarHBondContact CG2-O 3.41Å; V776-M793 HydrophobicContact CB-CB 3.89Å; V776-M793 HydrophobicContact CG1-CB 3.98Å; V776-M793 HydrophobicContact CG2-CB 3.94Å; V776-V794 HydrophobicContact CG1-CG2 4.17Å; V776-V794 HydrophobicContact CG2-CG2 3.52Å; V776-V956 HydrophobicContact CG1-CB 3.55Å; V776-V956 HydrophobicContact CG1-CG1 4.49Å; V776-V956 HydrophobicContact CG1-CG2 3.49Å; V776-V956 VanDerWaalsContact CG1-CG2 3.49Å; V776-Y988 HydrophobicContact CB-CD2 3.96Å; V776-Y988 HydrophobicContact CB-CE2 4.33Å; V776-Y988 HydrophobicContact CG1-CD2 3.78Å; V776-Y988 HydrophobicContact CG1-CE2 3.66Å |
| 777 | M | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.2 | 173.2 | -179.9 | -174.4 | 143.9 | 0 | 0 | 109 | L703 K706 A707 V748 I779 Y988 P990 | L703-M777 HydrophobicContact CD1-CB 4.07Å; L703-M777 HydrophobicContact CD1-CG 3.79Å; L703-M777 HydrophobicContact CD1-SD 3.74Å; K706-M777 HydrophobicContact CB-CE 4.28Å; K706-M777 HydrophobicContact CB-SD 3.72Å; A707-M777 VanDerWaalsContact CA-CE 3.48Å; A707-M777 HydrophobicContact CB-CE 4.1Å; A707-M777 HydrophobicContact CB-SD 4.38Å; V748-M777 HydrophobicContact CG1-CE 3.63Å; V748-M777 HydrophobicContact CG1-CG 3.42Å; V748-M777 VanDerWaalsContact CG1-CG 3.42Å; V748-M777 HydrophobicContact CG1-SD 3.9Å; V748-M777 HydrophobicContact CG2-CE 4.02Å; M777-I779 HydrophobicContact CE-CD1 3.5Å; M777-I779 VanDerWaalsContact CE-CD1 3.5Å; M777-I779 HydrophobicContact CE-CG1 3.68Å; M777-Y988 PolarHBondContact N-O 2.89Å; M777-P990 HydrophobicContact CB-CB 4.13Å; M777-P990 HydrophobicContact CB-CG 3.9Å; M777-P990 HydrophobicContact SD-CB 4.25Å |
| 778 | A | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 147.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | V748 V749 A786 K789 A790 M793 | V748-A778 WeakPolarHBondContact CA-O 3.37Å; V749-A778 PolarHBondContact N-O 3.24Å; V749-A778 PolarHBondContact O-N 2.91Å; A778-A786 WeakPolarHBondContact CB-O 3.14Å; A778-K789 HydrophobicContact CB-CB 3.73Å; A778-A790 HydrophobicContact CB-CB 3.72Å; A778-M793 HydrophobicContact CB-CE 4.25Å; A778-M793 HydrophobicContact CB-SD 3.74Å |
| 779 | I | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.6 | -177.7 | -45.1 | -178 | 0 | 0 | 0 | 109 | Y746 V748 M777 K789 I917 Y932 F1005 | Y746-I779 HydrophobicContact CD2-CG2 3.58Å; Y746-I779 HydrophobicContact CE2-CG2 4.32Å; Y746-I779 HydrophobicContact CG-CG2 3.97Å; V748-I779 HydrophobicContact CG2-CG1 4.4Å; V748-I779 HydrophobicContact CG2-CG2 4.5Å; M777-I779 HydrophobicContact CE-CD1 3.5Å; M777-I779 VanDerWaalsContact CE-CD1 3.5Å; M777-I779 HydrophobicContact CE-CG1 3.68Å; I779-K789 PolarHBondContact O-NZ 2.89Å; I779-I917 HydrophobicContact CD1-CD1 3.61Å; I779-I917 HydrophobicContact CD1-CG1 4.34Å; I779-I917 HydrophobicContact CG2-CD1 4.27Å; I779-Y932 HydrophobicContact CB-CD1 4.36Å; I779-Y932 HydrophobicContact CB-CD2 4.1Å; I779-Y932 HydrophobicContact CB-CG 3.91Å; I779-Y932 HydrophobicContact CG2-CD1 3.8Å; I779-Y932 HydrophobicContact CG2-CD2 3.83Å; I779-Y932 HydrophobicContact CG2-CE1 3.95Å; I779-Y932 HydrophobicContact CG2-CE2 3.99Å; I779-Y932 HydrophobicContact CG2-CG 3.73Å; I779-F1005 HydrophobicContact CD1-CB 4.09Å |
| 780 | G | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 165.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y746 C747 N782 E785 | Y746-G780 WeakPolarHBondContact CB-O 3.45Å; C747-G780 PolarHBondContact N-O 2.93Å; C747-G780 PolarHBondContact O-N 2.91Å; G780-N782 VanDerWaalsContact C-N 3.34Å; G780-E785 WeakPolarHBondContact CA-OE2 3.46Å |
| 781 | R | 95 | Very high | 96 | Very high | 10 Ų | 10 | 4 Ų | 4 | 4% | 0.038 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -87.4 | -9.2 | 176.1 | -69.2 | -75.1 | -61.5 | -166.3 | -2.5 | 112.6 | P66 T134 D745 E785 Y932 T934 N936 | P66-R781 WeakPolarHBondContact CB-O 3.33Å; P66-R781 WeakPolarHBondContact CG-O 3.32Å; T134-R781 PolarHBondContact OG1-NH2 2.81Å; D745-R781 VanDerWaalsContact CG-NH1 3.29Å; D745-R781 WeakPolarHBondContact O-CD 3.3Å; D745-R781 PolarHBondContact O-NE 2.74Å; D745-R781 PolarHBondContact O-NH1 2.96Å; D745-R781 IonicContact OD2-NH1 3.89Å; D745-R781 PolarHBondContact OD2-NH1 2.98Å; R781-E785 PolarHBondContact N-OE2 2.88Å; R781-Y932 WeakPolarHBondContact CD-OH 3.45Å; R781-Y932 HydrophobicContact CG-CE2 4.41Å; R781-T934 HydrophobicContact CG-CG2 3.97Å; R781-N936 HydrophobicContact CB-CB 3.57Å; R781-N936 HydrophobicContact CG-CB 4.07Å |
| 782 | N | 94.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 3.6 Ų | 3.6 | 3% | 0.027 | 2% | 0.017 | C | C | . | . | S | Bend | trans | -135.5 | 168.5 | 166.7 | 63.9 | 31.6 | 0 | 0 | 0 | 110 | L67 E103 G780 E785 A786 R882 N936 | L67-N782 HydrophobicContact CD2-CB 4.33Å; E103-N782 WeakPolarHBondContact OE2-CB 3.21Å; G780-N782 VanDerWaalsContact C-N 3.34Å; N782-E785 WeakPolarHBondContact OD1-CA 3.39Å; N782-E785 WeakPolarHBondContact OD1-CB 3.49Å; N782-E785 PolarHBondContact OD1-N 2.77Å; N782-A786 PolarHBondContact O-N 3.4Å; N782-R882 PolarHBondContact ND2-O 2.89Å; N782-R882 PolarHBondContact OD1-O 2.78Å; N782-N936 PolarHBondContact ND2-ND2 2.87Å |
| 783 | F | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -69.5 | -41.9 | -176.5 | 173.2 | -96.6 | 0 | 0 | 0 | 111.8 | L67 F631 V644 V749 E785 A786 F787 W850 F851 K854 L855 | L67-F783 HydrophobicContact CD1-CB 4.42Å; F631-F783 HydrophobicContact CD2-CZ 4.49Å; V644-F783 HydrophobicContact CG1-CD2 4.37Å; V644-F783 HydrophobicContact CG2-CD2 4.39Å; V644-F783 HydrophobicContact CG2-CE2 3.85Å; V749-F783 HydrophobicContact CG2-CD2 4.02Å; V749-F783 HydrophobicContact CG2-CE2 4.03Å; F783-E785 VanDerWaalsContact C-N 3.31Å; F783-E785 PolarHBondContact O-N 2.83Å; F783-A786 PolarHBondContact O-N 3.42Å; F783-F787 HydrophobicContact CD1-CB 4.44Å; F783-F787 HydrophobicContact CE1-CB 4.13Å; F783-F787 HydrophobicContact CE1-CD2 4.26Å; F783-F787 HydrophobicContact CE1-CG 4.17Å; F783-F787 HydrophobicContact CE2-CB 4.38Å; F783-F787 HydrophobicContact CE2-CD2 4.19Å; F783-F787 HydrophobicContact CZ-CB 4.1Å; F783-F787 AromaticContact CZ-CD2 3.64Å; F783-F787 HydrophobicContact CZ-CD2 3.64Å; F783-F787 HydrophobicContact CZ-CE2 4.3Å; F783-F787 AromaticContact CZ-CG 4Å; F783-F787 HydrophobicContact CZ-CG 4Å; F783-F787 WeakPolarHBondContact O-CB 3.32Å; F783-F787 PolarHBondContact O-N 2.91Å; F783-W850 HydrophobicContact CB-CH2 3.88Å; F783-W850 HydrophobicContact CB-CZ3 4.41Å; F783-W850 HydrophobicContact CD2-CH2 4.42Å; F783-W850 HydrophobicContact CD2-CZ3 4.22Å; F783-W850 HydrophobicContact CG-CH2 4.11Å; F783-W850 HydrophobicContact CG-CZ3 4.14Å; F783-F851 HydrophobicContact CE1-CD1 4.41Å; F783-F851 AromaticContact CE2-CD1 3.89Å; F783-F851 HydrophobicContact CE2-CD1 3.89Å; F783-F851 HydrophobicContact CE2-CE1 4.01Å; F783-F851 AromaticContact CZ-CD1 3.8Å; F783-F851 HydrophobicContact CZ-CD1 3.8Å; F783-F851 HydrophobicContact CZ-CE1 4.38Å; F783-K854 HydrophobicContact CD1-CB 3.59Å; F783-K854 HydrophobicContact CD1-CG 4.15Å; F783-K854 HydrophobicContact CE1-CB 3.96Å; F783-L855 HydrophobicContact CE1-CD2 4.21Å |
| 784 | E | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -57 | -44.1 | -179.6 | -63.9 | 91.2 | 145.5 | 0 | 0 | 111.6 | Q788 K854 R857 I858 F883 | E784-Q788 WeakPolarHBondContact O-CB 3.32Å; E784-Q788 WeakPolarHBondContact O-CG 3.47Å; E784-Q788 PolarHBondContact O-N 3.02Å; E784-K854 VanDerWaalsContact OE1-CD 3.27Å; E784-K854 WeakPolarHBondContact OE1-CD 3.25Å; E784-K854 IonicContact OE1-NZ 3.89Å; E784-K854 IonicContact OE2-NZ 2.6Å; E784-R857 VanDerWaalsContact OE1-CD 3.26Å; E784-R857 WeakPolarHBondContact OE1-CD 3.49Å; E784-R857 IonicContact OE1-NH1 3.65Å; E784-I858 HydrophobicContact CB-CD1 4.22Å; E784-I858 HydrophobicContact CB-CG1 4.06Å; E784-I858 HydrophobicContact CG-CD1 4.28Å; E784-I858 HydrophobicContact CG-CG1 3.92Å; E784-F883 CarbonylContact C-O 3.52Å; E784-F883 VanDerWaalsContact C-O 3.28Å; E784-F883 HydrophobicContact CB-CB 4.36Å; E784-F883 HydrophobicContact CB-CD2 4.47Å; E784-F883 HydrophobicContact CB-CG 4.29Å; E784-F883 HydrophobicContact CG-CD2 4.44Å |
| 785 | E | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -62.1 | -54.7 | 176.4 | 177.7 | 178.3 | -147.2 | 0 | 0 | 112 | G780 R781 N782 F783 F787 Q788 K789 F883 T934 N936 | G780-E785 WeakPolarHBondContact CA-OE2 3.46Å; R781-E785 PolarHBondContact N-OE2 2.88Å; N782-E785 WeakPolarHBondContact OD1-CA 3.39Å; N782-E785 WeakPolarHBondContact OD1-CB 3.49Å; N782-E785 PolarHBondContact OD1-N 2.77Å; F783-E785 VanDerWaalsContact C-N 3.31Å; F783-E785 PolarHBondContact O-N 2.83Å; E785-F787 VanDerWaalsContact C-N 3.33Å; E785-F787 PolarHBondContact O-N 3.23Å; E785-Q788 PolarHBondContact O-N 3.21Å; E785-K789 HydrophobicContact CG-CD 4.4Å; E785-K789 WeakPolarHBondContact O-CG 3.47Å; E785-K789 PolarHBondContact O-N 3.4Å; E785-K789 VanDerWaalsContact O-N 3.13Å; E785-K789 IonicContact OE1-NZ 3.05Å; E785-F883 PolarHBondContact N-O 2.9Å; E785-T934 VanDerWaalsContact CD-OG1 3.26Å; E785-T934 WeakPolarHBondContact OE1-CA 3.32Å; E785-T934 WeakPolarHBondContact OE1-CB 3.45Å; E785-T934 PolarHBondContact OE1-OG1 3.18Å; E785-T934 PolarHBondContact OE2-OG1 3.28Å; E785-N936 PolarHBondContact OE2-ND2 2.75Å |
| 786 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V749 A778 N782 F783 K789 A790 | V749-A786 HydrophobicContact CB-CB 4.15Å; V749-A786 HydrophobicContact CG2-CB 3.63Å; A778-A786 WeakPolarHBondContact CB-O 3.14Å; N782-A786 PolarHBondContact O-N 3.4Å; F783-A786 PolarHBondContact O-N 3.42Å; A786-K789 PolarHBondContact O-N 3.45Å; A786-A790 WeakPolarHBondContact O-CB 3.35Å; A786-A790 PolarHBondContact O-N 2.73Å |
| 787 | F | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.1 | -46.1 | -179.1 | -173.5 | -97.9 | 0 | 0 | 0 | 112.8 | I642 V749 I751 F783 E785 K789 A790 L791 F801 P825 L855 I858 | I642-F787 HydrophobicContact CD1-CE2 3.84Å; I642-F787 HydrophobicContact CD1-CZ 4.38Å; I642-F787 HydrophobicContact CG2-CE2 4.35Å; V749-F787 HydrophobicContact CG1-CD2 4.13Å; I751-F787 HydrophobicContact CD1-CE2 4.46Å; F783-F787 HydrophobicContact CD1-CB 4.44Å; F783-F787 HydrophobicContact CE1-CB 4.13Å; F783-F787 HydrophobicContact CE1-CD2 4.26Å; F783-F787 HydrophobicContact CE1-CG 4.17Å; F783-F787 HydrophobicContact CE2-CB 4.38Å; F783-F787 HydrophobicContact CE2-CD2 4.19Å; F783-F787 HydrophobicContact CZ-CB 4.1Å; F783-F787 AromaticContact CZ-CD2 3.64Å; F783-F787 HydrophobicContact CZ-CD2 3.64Å; F783-F787 HydrophobicContact CZ-CE2 4.3Å; F783-F787 AromaticContact CZ-CG 4Å; F783-F787 HydrophobicContact CZ-CG 4Å; F783-F787 WeakPolarHBondContact O-CB 3.32Å; F783-F787 PolarHBondContact O-N 2.91Å; E785-F787 VanDerWaalsContact C-N 3.33Å; E785-F787 PolarHBondContact O-N 3.23Å; F787-K789 PolarHBondContact O-N 2.99Å; F787-A790 PolarHBondContact O-N 2.89Å; F787-L791 HydrophobicContact CD1-CD1 3.94Å; F787-L791 HydrophobicContact CE1-CD1 3.52Å; F787-L791 HydrophobicContact CE1-CG 4.23Å; F787-L791 HydrophobicContact CZ-CD1 4.16Å; F787-L791 PolarHBondContact O-N 2.8Å; F787-L791 VanDerWaalsContact O-N 3.11Å; F787-F801 HydrophobicContact CE1-CB 4.32Å; F787-F801 AromaticContact CE1-CD2 3.58Å; F787-F801 HydrophobicContact CE1-CD2 3.58Å; F787-F801 HydrophobicContact CE1-CE2 4.06Å; F787-F801 HydrophobicContact CE1-CG 4.15Å; F787-F801 HydrophobicContact CZ-CD2 4.31Å; F787-F801 HydrophobicContact CZ-CE2 4.46Å; F787-P825 HydrophobicContact CZ-CB 4.28Å; F787-L855 HydrophobicContact CD1-CD2 3.62Å; F787-L855 HydrophobicContact CE1-CD2 3.25Å; F787-L855 HydrophobicContact CE2-CD2 4.35Å; F787-L855 HydrophobicContact CG-CD2 4.3Å; F787-L855 HydrophobicContact CZ-CD2 3.68Å; F787-I858 HydrophobicContact CD1-CD1 4.37Å |
| 788 | Q | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.7 | -36.1 | 179 | -70.7 | -157.2 | 90.4 | 0 | 0 | 113 | E784 E785 R792 F801 I858 F883 | E784-Q788 WeakPolarHBondContact O-CB 3.32Å; E784-Q788 WeakPolarHBondContact O-CG 3.47Å; E784-Q788 PolarHBondContact O-N 3.02Å; E785-Q788 PolarHBondContact O-N 3.21Å; Q788-R792 PolarHBondContact O-N 2.87Å; Q788-R792 PolarHBondContact O-NH1 3.49Å; Q788-F801 HydrophobicContact CG-CB 4.34Å; Q788-I858 HydrophobicContact CG-CD1 3.86Å; Q788-I858 HydrophobicContact CG-CG2 4.39Å; Q788-F883 PolarHBondContact NE2-O 3Å |
| 789 | K | 98.1 | Very high | 94.1 | Very high | 13 Ų | 13 | 16.3 Ų | 16.3 | 6% | 0.057 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 171.3 | -75 | 179.6 | -178.3 | -174.1 | 0 | 111.5 | A778 I779 E785 A786 F787 L791 R792 M793 H933 E1006 | A778-K789 HydrophobicContact CB-CB 3.73Å; I779-K789 PolarHBondContact O-NZ 2.89Å; E785-K789 HydrophobicContact CG-CD 4.4Å; E785-K789 WeakPolarHBondContact O-CG 3.47Å; E785-K789 PolarHBondContact O-N 3.4Å; E785-K789 VanDerWaalsContact O-N 3.13Å; E785-K789 IonicContact OE1-NZ 3.05Å; A786-K789 PolarHBondContact O-N 3.45Å; F787-K789 PolarHBondContact O-N 2.99Å; K789-L791 VanDerWaalsContact C-N 3.3Å; K789-L791 PolarHBondContact O-N 2.93Å; K789-R792 PolarHBondContact O-N 3.41Å; K789-R792 VanDerWaalsContact O-N 3.12Å; K789-M793 HydrophobicContact CB-CE 4.41Å; K789-M793 WeakPolarHBondContact O-CG 3.43Å; K789-M793 PolarHBondContact O-N 3.38Å; K789-H933 PolarHBondContact NZ-O 3.46Å; K789-E1006 IonicContact NZ-OE1 3.18Å; K789-E1006 PolarHBondContact NZ-OE1 3.49Å; K789-E1006 IonicContact NZ-OE2 3.47Å |
| 790 | A | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.4 | -43.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V749 I751 V776 A778 A786 F787 R792 M793 V794 | V749-A790 HydrophobicContact CB-CB 4.43Å; V749-A790 HydrophobicContact CG1-CB 4.06Å; I751-A790 HydrophobicContact CB-CB 4.46Å; I751-A790 HydrophobicContact CD1-CB 3.48Å; I751-A790 VanDerWaalsContact CD1-CB 3.48Å; I751-A790 HydrophobicContact CG1-CB 3.69Å; V776-A790 HydrophobicContact CG2-CB 4.24Å; V776-A790 WeakPolarHBondContact CG2-O 3.41Å; A778-A790 HydrophobicContact CB-CB 3.72Å; A786-A790 WeakPolarHBondContact O-CB 3.35Å; A786-A790 PolarHBondContact O-N 2.73Å; F787-A790 PolarHBondContact O-N 2.89Å; A790-R792 VanDerWaalsContact C-N 3.33Å; A790-R792 PolarHBondContact O-N 2.88Å; A790-M793 WeakPolarHBondContact O-CB 3.48Å; A790-M793 PolarHBondContact O-N 3.23Å; A790-V794 WeakPolarHBondContact O-CG2 3.5Å; A790-V794 PolarHBondContact O-N 2.69Å |
| 791 | L | 97.7 | Very high | 93.9 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.2 | -40.5 | 177.4 | -71.8 | 173.5 | 0 | 0 | 0 | 113.2 | I751 F787 K789 D795 V798 F801 P825 F826 | I751-L791 HydrophobicContact CD1-CD2 3.72Å; I751-L791 HydrophobicContact CD1-CG 3.94Å; F787-L791 HydrophobicContact CD1-CD1 3.94Å; F787-L791 HydrophobicContact CE1-CD1 3.52Å; F787-L791 HydrophobicContact CE1-CG 4.23Å; F787-L791 HydrophobicContact CZ-CD1 4.16Å; F787-L791 PolarHBondContact O-N 2.8Å; F787-L791 VanDerWaalsContact O-N 3.11Å; K789-L791 VanDerWaalsContact C-N 3.3Å; K789-L791 PolarHBondContact O-N 2.93Å; L791-D795 PolarHBondContact O-N 2.92Å; L791-V798 HydrophobicContact CB-CG1 4.33Å; L791-F801 HydrophobicContact CD1-CB 3.91Å; L791-F801 HydrophobicContact CD1-CD2 4.09Å; L791-P825 HydrophobicContact CD2-CB 4.21Å; L791-P825 HydrophobicContact CD2-CG 4.47Å; L791-F826 HydrophobicContact CD1-CE1 4.45Å; L791-F826 HydrophobicContact CD2-CE1 4.3Å; L791-F826 HydrophobicContact CD2-CZ 3.94Å |
| 792 | R | 96.4 | Very high | 93.8 | Very high | 19 Ų | 19 | 16.3 Ų | 16.3 | 7% | 0.072 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.2 | -35 | 176.3 | -66.4 | -168.8 | -68.6 | -83.9 | -1.3 | 112.9 | Q788 K789 A790 V794 D795 V798 L799 G884 E1007 | Q788-R792 PolarHBondContact O-N 2.87Å; Q788-R792 PolarHBondContact O-NH1 3.49Å; K789-R792 PolarHBondContact O-N 3.41Å; K789-R792 VanDerWaalsContact O-N 3.12Å; A790-R792 VanDerWaalsContact C-N 3.33Å; A790-R792 PolarHBondContact O-N 2.88Å; R792-V794 VanDerWaalsContact C-N 3.33Å; R792-D795 CarbonylContact O-C 3.45Å; R792-D795 PolarHBondContact O-N 3.44Å; R792-V798 WeakPolarHBondContact CG-O 3.21Å; R792-L799 WeakPolarHBondContact CD-O 3.49Å; R792-L799 PolarHBondContact NH1-O 3.38Å; R792-G884 VanDerWaalsContact CZ-O 3.32Å; R792-G884 PolarHBondContact NH1-O 2.86Å; R792-G884 PolarHBondContact NH2-O 3.34Å; R792-E1007 HydrophobicContact CB-CG 4.47Å; R792-E1007 WeakPolarHBondContact CD-OE2 3.34Å; R792-E1007 IonicContact CZ-OE2 3.21Å; R792-E1007 IonicContact NE-OE1 2.83Å; R792-E1007 IonicContact NE-OE2 2.66Å; R792-E1007 PolarHBondContact NE-OE2 2.76Å; R792-E1007 IonicContact NH2-OE2 3.68Å |
| 793 | M | 96.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.8 | -34.6 | 176.3 | -72.9 | 168.9 | 174.1 | 0 | 0 | 111.9 | V776 A778 K789 A790 Y988 E1007 | V776-M793 HydrophobicContact CB-CB 3.89Å; V776-M793 HydrophobicContact CG1-CB 3.98Å; V776-M793 HydrophobicContact CG2-CB 3.94Å; A778-M793 HydrophobicContact CB-CE 4.25Å; A778-M793 HydrophobicContact CB-SD 3.74Å; K789-M793 HydrophobicContact CB-CE 4.41Å; K789-M793 WeakPolarHBondContact O-CG 3.43Å; K789-M793 PolarHBondContact O-N 3.38Å; A790-M793 WeakPolarHBondContact O-CB 3.48Å; A790-M793 PolarHBondContact O-N 3.23Å; M793-Y988 HydrophobicContact CB-CD2 3.65Å; M793-Y988 HydrophobicContact CB-CE2 3.65Å; M793-Y988 HydrophobicContact CB-CG 4.17Å; M793-Y988 HydrophobicContact CE-CG 4.35Å; M793-Y988 HydrophobicContact CG-CD1 4.14Å; M793-Y988 HydrophobicContact CG-CD2 3.86Å; M793-Y988 HydrophobicContact CG-CE1 4.42Å; M793-Y988 HydrophobicContact CG-CE2 4.16Å; M793-Y988 HydrophobicContact CG-CG 3.83Å; M793-Y988 VanDerWaalsContact O-CE2 3.27Å; M793-Y988 WeakPolarHBondContact O-CE2 3.5Å; M793-Y988 PolarHBondContact O-OH 2.83Å; M793-Y988 HydrophobicContact SD-CD2 4.17Å; M793-Y988 HydrophobicContact SD-CG 3.97Å; M793-E1007 HydrophobicContact CE-CB 4.07Å; M793-E1007 VanDerWaalsContact CE-N 3.25Å; M793-E1007 HydrophobicContact CG-CB 4.1Å; M793-E1007 HydrophobicContact CG-CG 4.32Å |
| 794 | V | 95 | Very high | 93 | Very high | 18 Ų | 18 | 20.4 Ų | 20.4 | 11% | 0.109 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.6 | -48.5 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | I751 R753 V776 A790 R792 | I751-V794 HydrophobicContact CB-CG2 3.68Å; I751-V794 HydrophobicContact CG2-CG2 3.57Å; R753-V794 PolarHBondContact NH1-O 3.01Å; V776-V794 HydrophobicContact CG1-CG2 4.17Å; V776-V794 HydrophobicContact CG2-CG2 3.52Å; A790-V794 WeakPolarHBondContact O-CG2 3.5Å; A790-V794 PolarHBondContact O-N 2.69Å; R792-V794 VanDerWaalsContact C-N 3.33Å |
| 795 | D | 87.5 | Confident | 92.4 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 12% | 0.123 | 13% | 0.127 | C | C | . | . | trans | -144.1 | 119.1 | -175.5 | -163.3 | -10.7 | 0 | 0 | 0 | 111.4 | R753 L791 R792 D797 V798 | R753-D795 IonicContact NH1-OD1 2.98Å; R753-D795 IonicContact NH1-OD2 3.79Å; L791-D795 PolarHBondContact O-N 2.92Å; R792-D795 CarbonylContact O-C 3.45Å; R792-D795 PolarHBondContact O-N 3.44Å; D795-D797 PolarHBondContact O-N 3.38Å; D795-D797 VanDerWaalsContact O-N 3.16Å; D795-D797 PolarHBondContact OD1-N 3.01Å; D795-V798 HydrophobicContact CB-CG2 4.07Å; D795-V798 WeakPolarHBondContact O-CB 3.49Å; D795-V798 PolarHBondContact O-N 2.96Å | ||
| 796 | S | 76 | Confident | 91.6 | Very high | 63 Ų | 63 | 23.9 Ų | 23.9 | 44% | 0.441 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.9 | -176.5 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | V798 | S796-V798 VanDerWaalsContact C-N 3.28Š|
| 797 | D | 80.5 | Confident | 90.4 | Very high | 140 Ų | 140 | 29.4 Ų | 29.4 | 75% | 0.749 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -13.4 | 176.8 | -65.3 | -21 | 0 | 0 | 0 | 112.1 | D795 | D795-D797 PolarHBondContact O-N 3.38Å; D795-D797 VanDerWaalsContact O-N 3.16Å; D795-D797 PolarHBondContact OD1-N 3.01Å |
| 798 | V | 88.3 | Confident | 89 | Confident | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | trans | -91.4 | 133.6 | 174.5 | 173.9 | 0 | 0 | 0 | 0 | 109.4 | L791 R792 D795 S796 G800 F826 | L791-V798 HydrophobicContact CB-CG1 4.33Å; R792-V798 WeakPolarHBondContact CG-O 3.21Å; D795-V798 HydrophobicContact CB-CG2 4.07Å; D795-V798 WeakPolarHBondContact O-CB 3.49Å; D795-V798 PolarHBondContact O-N 2.96Å; S796-V798 VanDerWaalsContact C-N 3.28Å; V798-G800 WeakPolarHBondContact CG1-O 3.3Å; V798-F826 HydrophobicContact CB-CZ 4.3Å; V798-F826 HydrophobicContact CG1-CE1 3.45Å; V798-F826 VanDerWaalsContact CG1-CE1 3.45Å; V798-F826 HydrophobicContact CG1-CZ 3.59Å; V798-F826 HydrophobicContact CG2-CE1 4.23Å; V798-F826 HydrophobicContact CG2-CE2 4.42Å; V798-F826 HydrophobicContact CG2-CZ 3.75Å | ||
| 799 | L | 91.4 | Very high | 87.9 | Confident | 37 Ų | 37 | 36.8 Ų | 36.8 | 19% | 0.194 | 21% | 0.209 | C | C | . | . | trans | -91.7 | -9.2 | -178.6 | -62.3 | -178.1 | 0 | 0 | 0 | 114.5 | R792 K888 Q889 K892 | R792-L799 WeakPolarHBondContact CD-O 3.49Å; R792-L799 PolarHBondContact NH1-O 3.38Å; L799-K888 HydrophobicContact CD2-CB 3.81Å; L799-K888 HydrophobicContact CD2-CD 4.18Å; L799-Q889 HydrophobicContact CB-CB 4.11Å; L799-Q889 HydrophobicContact CB-CG 4.23Å; L799-Q889 PolarHBondContact O-OE1 3.34Å; L799-Q889 VanDerWaalsContact O-OE1 3.12Å; L799-K892 HydrophobicContact CD1-CB 4.45Å; L799-K892 HydrophobicContact CD1-CD 3.9Å | ||
| 800 | G | 94.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 148.2 | -150.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V798 D802 | V798-G800 WeakPolarHBondContact CG1-O 3.3Å; G800-D802 PolarHBondContact O-N 2.67Å |
| 801 | F | 96.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -75.1 | 75.4 | 173 | -170.2 | -119.7 | 0 | 0 | 0 | 110.4 | F787 Q788 L791 P825 I828 A829 L832 L855 I858 I859 | F787-F801 HydrophobicContact CE1-CB 4.32Å; F787-F801 AromaticContact CE1-CD2 3.58Å; F787-F801 HydrophobicContact CE1-CD2 3.58Å; F787-F801 HydrophobicContact CE1-CE2 4.06Å; F787-F801 HydrophobicContact CE1-CG 4.15Å; F787-F801 HydrophobicContact CZ-CD2 4.31Å; F787-F801 HydrophobicContact CZ-CE2 4.46Å; Q788-F801 HydrophobicContact CG-CB 4.34Å; L791-F801 HydrophobicContact CD1-CB 3.91Å; L791-F801 HydrophobicContact CD1-CD2 4.09Å; F801-P825 HydrophobicContact CE2-CB 4.39Å; F801-P825 WeakPolarHBondContact CE2-O 3.5Å; F801-I828 HydrophobicContact CZ-CB 4.37Å; F801-I828 HydrophobicContact CZ-CG2 4.1Å; F801-A829 HydrophobicContact CD1-CB 3.97Å; F801-A829 HydrophobicContact CD2-CB 3.98Å; F801-A829 HydrophobicContact CE1-CB 3.69Å; F801-A829 HydrophobicContact CE2-CB 3.76Å; F801-A829 HydrophobicContact CG-CB 4.12Å; F801-A829 VanDerWaalsContact CZ-CA 3.49Å; F801-A829 HydrophobicContact CZ-CB 3.59Å; F801-L832 HydrophobicContact CE1-CD1 3.89Å; F801-L832 HydrophobicContact CZ-CD1 4.06Å; F801-L855 HydrophobicContact CD1-CD2 4.44Å; F801-L855 HydrophobicContact CD2-CD2 4.22Å; F801-L855 HydrophobicContact CE1-CB 3.8Å; F801-L855 HydrophobicContact CE1-CD2 4.19Å; F801-L855 HydrophobicContact CE1-CG 4.43Å; F801-L855 HydrophobicContact CE2-CD1 4.09Å; F801-L855 HydrophobicContact CE2-CD2 3.91Å; F801-L855 HydrophobicContact CE2-CG 4.42Å; F801-L855 HydrophobicContact CG-CD2 4.45Å; F801-L855 HydrophobicContact CZ-CB 3.78Å; F801-L855 HydrophobicContact CZ-CD1 3.85Å; F801-L855 HydrophobicContact CZ-CD2 3.91Å; F801-L855 HydrophobicContact CZ-CG 4.05Å; F801-I858 HydrophobicContact CB-CD1 4.24Å; F801-I858 HydrophobicContact CB-CG2 4.05Å; F801-I858 HydrophobicContact CD1-CB 4.18Å; F801-I858 HydrophobicContact CD1-CD1 4.37Å; F801-I858 HydrophobicContact CD1-CG2 4.18Å; F801-I859 HydrophobicContact CD1-CD1 3.81Å; F801-I859 HydrophobicContact CD1-CG1 4.05Å; F801-I859 HydrophobicContact CE1-CD1 3.89Å; F801-I859 HydrophobicContact CE1-CG1 3.79Å |
| 802 | D | 91.2 | Very high | 85.1 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.053 | 30% | 0.297 | C | S | . | . | trans | -100.7 | 117.1 | -169.3 | -173.3 | -4.4 | 0 | 0 | 0 | 111.5 | G800 D804 V805 K892 Y893 | G800-D802 PolarHBondContact O-N 2.67Å; D802-D804 PolarHBondContact O-N 3.36Å; D802-D804 WeakPolarHBondContact OD1-CB 3.28Å; D802-D804 PolarHBondContact OD1-N 2.88Å; D802-V805 HydrophobicContact CB-CG2 3.96Å; D802-K892 IonicContact OD1-NZ 2.81Å; D802-K892 PolarHBondContact OD1-NZ 3.18Å; D802-K892 IonicContact OD2-NZ 3.2Å; D802-K892 PolarHBondContact OD2-NZ 3.35Å; D802-Y893 PolarHBondContact OD1-OH 3.36Å | ||
| 803 | P | 90.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -72.3 | -13.2 | -179.8 | 32 | -37.7 | 0 | 0 | 0 | 113.8 | V805 A829 Q833 I859 | P803-V805 VanDerWaalsContact C-N 3.32Å; P803-V805 PolarHBondContact O-N 3.3Å; P803-A829 HydrophobicContact CB-CB 4.02Å; P803-Q833 HydrophobicContact CB-CB 3.99Å; P803-Q833 HydrophobicContact CB-CG 4.44Å; P803-Q833 HydrophobicContact CG-CB 4.27Å; P803-Q833 VanDerWaalsContact CG-CD 3.44Å; P803-Q833 HydrophobicContact CG-CG 4.27Å; P803-Q833 VanDerWaalsContact CG-OE1 3.28Å; P803-I859 HydrophobicContact CG-CD1 4.4Å |
| 804 | D | 86 | Confident | 84.1 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -83.6 | -6.8 | -176.3 | -59.5 | -33.7 | 0 | 0 | 0 | 113.4 | D802 K892 | D802-D804 PolarHBondContact O-N 3.36Å; D802-D804 WeakPolarHBondContact OD1-CB 3.28Å; D802-D804 PolarHBondContact OD1-N 2.88Å; D804-K892 WeakPolarHBondContact OD2-CE 3.44Å; D804-K892 IonicContact OD2-NZ 2.81Å; D804-K892 PolarHBondContact OD2-NZ 3.46Å |
| 805 | V | 83.7 | Confident | 83.7 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -68.8 | -34.2 | -177.3 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | D802 P803 F826 | D802-V805 HydrophobicContact CB-CG2 3.96Å; P803-V805 VanDerWaalsContact C-N 3.32Å; P803-V805 PolarHBondContact O-N 3.3Å; V805-F826 HydrophobicContact CB-CB 4.16Å; V805-F826 HydrophobicContact CB-CD1 4.06Å; V805-F826 HydrophobicContact CB-CG 4.02Å; V805-F826 HydrophobicContact CG1-CB 4.38Å; V805-F826 HydrophobicContact CG1-CD1 4.35Å; V805-F826 HydrophobicContact CG1-CD2 4.12Å; V805-F826 HydrophobicContact CG1-CG 4.01Å; V805-F826 HydrophobicContact CG2-CD1 4.01Å; V805-F826 HydrophobicContact CG2-CE1 4.32Å; V805-F826 HydrophobicContact CG2-CG 4.45Å |
| 806 | V | 81.4 | Confident | 83.7 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 13% | 0.133 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -107.4 | 127.7 | 179.5 | -179.6 | 0 | 0 | 0 | 0 | 109 | L808 R823 F826 V827 | V806-L808 PolarHBondContact O-N 2.72Å; V806-R823 HydrophobicContact CG2-CB 4.26Å; V806-F826 HydrophobicContact CG2-CB 3.73Å; V806-V827 HydrophobicContact CG1-CG2 4.43Å; V806-V827 HydrophobicContact CG2-CG2 4.31Å |
| 807 | P | 73.9 | Confident | 84.4 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 75% | 0.747 | 32% | 0.321 | S | S | * | . | trans | -62.4 | 129.1 | 176.1 | 24 | -31.6 | 0 | 0 | 0 | 110.9 | N809 | P807-N809 PolarHBondContact O-N 2.79Š| ||
| 808 | L | 67.6 | Low | 84.9 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | trans | -69.7 | 110.5 | -176 | -70.3 | 163.2 | 0 | 0 | 0 | 111.6 | V806 A830 L834 | V806-L808 PolarHBondContact O-N 2.72Å; L808-A830 HydrophobicContact CD2-CB 3.68Å; L808-L834 HydrophobicContact CD2-CD1 3.85Å; L808-L834 HydrophobicContact CD2-CD2 4.49Å; L808-L834 HydrophobicContact CD2-CG 4.06Å | ||
| 809 | N | 75.8 | Confident | 84.9 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | trans | -121.7 | 104.7 | 163.5 | -173.8 | -5.8 | 0 | 0 | 0 | 110.3 | P807 E811 Q812 L813 | P807-N809 PolarHBondContact O-N 2.79Å; N809-E811 PolarHBondContact O-N 2.88Å; N809-E811 PolarHBondContact OD1-N 3.22Å; N809-E811 VanDerWaalsContact OD1-N 3.08Å; N809-Q812 HydrophobicContact CB-CB 4.34Å; N809-Q812 WeakPolarHBondContact ND2-CG 3.4Å; N809-Q812 PolarHBondContact ND2-OE1 3.07Å; N809-Q812 PolarHBondContact O-N 3.39Å; N809-L813 PolarHBondContact O-N 3.48Å; N809-L813 VanDerWaalsContact O-N 3.11Å | ||
| 810 | K | 75.2 | Confident | 84.9 | Confident | 156 Ų | 156 | 60.6 Ų | 60.6 | 68% | 0.678 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -31 | -179.1 | -73.9 | -172.1 | 176.5 | -173.3 | 0 | 113.4 | L834 | K810-L834 HydrophobicContact CG-CD1 4.05Š|
| 811 | E | 78.7 | Confident | 84.8 | Confident | 182 Ų | 182 | 61.8 Ų | 61.8 | 85% | 0.85 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -32.7 | -177.5 | -63.4 | 177.4 | -178 | 0 | 0 | 112 | N809 | N809-E811 PolarHBondContact O-N 2.88Å; N809-E811 PolarHBondContact OD1-N 3.22Å; N809-E811 VanDerWaalsContact OD1-N 3.08Å |
| 812 | Q | 80.6 | Confident | 84.5 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -8.6 | -179.3 | -69.8 | 175.3 | -28.8 | 0 | 0 | 113.3 | N809 A814 E815 Q816 | N809-Q812 HydrophobicContact CB-CB 4.34Å; N809-Q812 WeakPolarHBondContact ND2-CG 3.4Å; N809-Q812 PolarHBondContact ND2-OE1 3.07Å; N809-Q812 PolarHBondContact O-N 3.39Å; Q812-A814 PolarHBondContact O-N 3.24Å; Q812-E815 PolarHBondContact O-N 3.24Å; Q812-Q816 WeakPolarHBondContact O-CG 3.2Å; Q812-Q816 PolarHBondContact O-N 3.04Å |
| 813 | L | 85.8 | Confident | 84.5 | Confident | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | -172.6 | -175 | 63.4 | 0 | 0 | 0 | 112.7 | N809 Q816 L817 V827 A831 L834 M836 | N809-L813 PolarHBondContact O-N 3.48Å; N809-L813 VanDerWaalsContact O-N 3.11Å; L813-Q816 PolarHBondContact O-N 3.07Å; L813-L817 HydrophobicContact CD1-CD1 4.33Å; L813-L817 HydrophobicContact CD1-CG 4.5Å; L813-L817 HydrophobicContact CG-CD1 4Å; L813-L817 WeakPolarHBondContact O-CB 3.18Å; L813-L817 WeakPolarHBondContact O-CD1 3.23Å; L813-L817 VanDerWaalsContact O-CG 3.25Å; L813-L817 WeakPolarHBondContact O-CG 3.23Å; L813-L817 PolarHBondContact O-N 3.12Å; L813-V827 HydrophobicContact CD1-CG1 3.7Å; L813-A831 HydrophobicContact CD1-CB 4.25Å; L813-A831 HydrophobicContact CD2-CB 4.02Å; L813-A831 HydrophobicContact CG-CB 4.44Å; L813-L834 HydrophobicContact CD2-CD1 3.91Å; L813-M836 HydrophobicContact CD2-CE 3.72Å; L813-M836 HydrophobicContact CG-CE 4.23Å |
| 814 | A | 86 | Confident | 84.7 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q812 L817 S818 L844 | Q812-A814 PolarHBondContact O-N 3.24Å; A814-L817 PolarHBondContact O-N 2.94Å; A814-S818 PolarHBondContact O-N 2.84Å; A814-S818 VanDerWaalsContact O-N 3.09Å; A814-S818 PolarHBondContact O-OG 2.96Å; A814-L844 HydrophobicContact CB-CD1 4.37Å; A814-L844 HydrophobicContact CB-CD2 4.39Å |
| 815 | E | 86.7 | Confident | 85.1 | Confident | 114 Ų | 114 | 62.8 Ų | 62.8 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -48 | 175.4 | -175 | -178.1 | -170.1 | 0 | 0 | 111 | Q812 L817 S818 E819 | Q812-E815 PolarHBondContact O-N 3.24Å; E815-L817 VanDerWaalsContact C-N 3.28Å; E815-L817 PolarHBondContact O-N 2.8Å; E815-S818 PolarHBondContact O-N 2.98Å; E815-E819 WeakPolarHBondContact O-CB 3.2Å; E815-E819 PolarHBondContact O-N 3.26Å |
| 816 | Q | 87.9 | Confident | 85.7 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -27 | 178.8 | -69.9 | 179.8 | 0.8 | 0 | 0 | 114.1 | Q812 L813 V827 | Q812-Q816 WeakPolarHBondContact O-CG 3.2Å; Q812-Q816 PolarHBondContact O-N 3.04Å; L813-Q816 PolarHBondContact O-N 3.07Å; Q816-V827 HydrophobicContact CB-CG1 3.89Å |
| 817 | L | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -78.2 | -37.9 | 175.6 | -73.2 | 166.4 | 0 | 0 | 0 | 112 | L813 A814 E815 V827 I828 A831 M836 L841 L844 T845 | L813-L817 HydrophobicContact CD1-CD1 4.33Å; L813-L817 HydrophobicContact CD1-CG 4.5Å; L813-L817 HydrophobicContact CG-CD1 4Å; L813-L817 WeakPolarHBondContact O-CB 3.18Å; L813-L817 WeakPolarHBondContact O-CD1 3.23Å; L813-L817 VanDerWaalsContact O-CG 3.25Å; L813-L817 WeakPolarHBondContact O-CG 3.23Å; L813-L817 PolarHBondContact O-N 3.12Å; A814-L817 PolarHBondContact O-N 2.94Å; E815-L817 VanDerWaalsContact C-N 3.28Å; E815-L817 PolarHBondContact O-N 2.8Å; L817-V827 HydrophobicContact CD2-CG1 3.85Å; L817-V827 HydrophobicContact CG-CG1 3.98Å; L817-I828 HydrophobicContact CD2-CG1 3.85Å; L817-A831 HydrophobicContact CD1-CB 4.17Å; L817-M836 HydrophobicContact CD1-CE 3.97Å; L817-M836 HydrophobicContact CD1-SD 3.71Å; L817-L841 HydrophobicContact CD1-CD2 3.84Å; L817-L841 HydrophobicContact CD2-CD2 3.89Å; L817-L844 HydrophobicContact CB-CB 4.08Å; L817-L844 HydrophobicContact CB-CD1 4.24Å; L817-L844 HydrophobicContact CD1-CD1 3.83Å; L817-T845 HydrophobicContact CB-CG2 4.17Å; L817-T845 HydrophobicContact CD2-CG2 4.14Å |
| 818 | S | 90 | Very high | 87.3 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -79.3 | -27 | 177.8 | -68.9 | 0 | 0 | 0 | 0 | 113.9 | A814 E815 P820 L844 | A814-S818 PolarHBondContact O-N 2.84Å; A814-S818 VanDerWaalsContact O-N 3.09Å; A814-S818 PolarHBondContact O-OG 2.96Å; E815-S818 PolarHBondContact O-N 2.98Å; S818-P820 WeakPolarHBondContact O-CD 3.5Å; S818-L844 WeakPolarHBondContact CA-O 3.47Å; S818-L844 WeakPolarHBondContact OG-CD2 3.27Å; S818-L844 PolarHBondContact OG-O 2.73Å |
| 819 | E | 88.8 | Confident | 88.7 | Confident | 93 Ų | 93 | 50 Ų | 50 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -110 | 89.1 | 175.7 | -61.7 | -165.3 | 171.4 | 0 | 0 | 110.9 | H765 E815 | H765-E819 IonicContact CE1-OE2 3.35Å; H765-E819 PolarHBondContact CE1-OE2 2.87Å; H765-E819 IonicContact ND1-OE2 2.81Å; H765-E819 IonicContact NE2-OE2 3.64Å; E815-E819 WeakPolarHBondContact O-CB 3.2Å; E815-E819 PolarHBondContact O-N 3.26Å |
| 820 | P | 90.9 | Very high | 89.5 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 14% | 0.143 | 24% | 0.235 | C | C | . | . | trans | -62.4 | 140.3 | -171.3 | 27.7 | -36.1 | 0 | 0 | 0 | 111.9 | I636 H765 I766 S818 R824 | I636-P820 HydrophobicContact CD1-CB 3.84Å; I636-P820 HydrophobicContact CD1-CG 3.74Å; I636-P820 HydrophobicContact CG1-CG 4.05Å; H765-P820 VanDerWaalsContact CA-O 3.3Å; H765-P820 WeakPolarHBondContact CA-O 3.42Å; I766-P820 HydrophobicContact CD1-CB 4.17Å; I766-P820 HydrophobicContact CG1-CB 3.78Å; I766-P820 HydrophobicContact CG1-CG 4.21Å; I766-P820 PolarHBondContact N-O 3.41Å; S818-P820 WeakPolarHBondContact O-CD 3.5Å; P820-R824 HydrophobicContact CB-CG 4.48Å | ||
| 821 | T | 92.4 | Very high | 90.4 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 15% | 0.153 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -127.3 | 173.9 | 175.3 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | K764 R823 R824 | K764-T821 HydrophobicContact CB-CG2 4.41Å; K764-T821 WeakPolarHBondContact O-CA 3.29Å; K764-T821 WeakPolarHBondContact O-CB 3.39Å; T821-R823 PolarHBondContact O-N 2.99Å; T821-R823 PolarHBondContact OG1-N 2.88Å; T821-R824 WeakPolarHBondContact O-CB 3.22Å; T821-R824 PolarHBondContact O-N 3.38Å |
| 822 | D | 90.5 | Very high | 91.2 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -12.4 | 172.4 | 66.2 | -54.6 | 0 | 0 | 0 | 114.1 | W754 L756 K764 | W754-D822 HydrophobicContact CB-CB 3.96Å; W754-D822 HydrophobicContact CD2-CB 3.91Å; W754-D822 HydrophobicContact CE3-CB 3.98Å; W754-D822 HydrophobicContact CG-CB 3.93Å; L756-D822 HydrophobicContact CD1-CB 4.35Å; K764-D822 PolarHBondContact O-N 2.83Å |
| 823 | R | 91.8 | Very high | 91.7 | Very high | 82 Ų | 82 | 31.2 Ų | 31.2 | 31% | 0.309 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 9 | 178.4 | -59.2 | -63.7 | 177 | 163.8 | -1.4 | 114.1 | V806 T821 P825 F826 V827 | V806-R823 HydrophobicContact CG2-CB 4.26Å; T821-R823 PolarHBondContact O-N 2.99Å; T821-R823 PolarHBondContact OG1-N 2.88Å; R823-P825 VanDerWaalsContact C-CD 3.47Å; R823-F826 HydrophobicContact CB-CD2 4.38Å; R823-F826 PolarHBondContact O-N 2.79Å; R823-V827 PolarHBondContact O-N 2.93Å |
| 824 | R | 93.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -47.4 | -45.8 | -175.8 | -169.5 | -173.6 | -157.9 | -177.4 | 5.9 | 114.5 | D632 I636 P820 T821 F826 V827 I828 T845 | D632-R824 WeakPolarHBondContact OD1-CD 3.36Å; D632-R824 IonicContact OD1-CZ 3.87Å; D632-R824 IonicContact OD1-NE 3.32Å; D632-R824 IonicContact OD1-NH1 3.48Å; D632-R824 PolarHBondContact OD1-NH1 3.36Å; I636-R824 VanDerWaalsContact CD1-NH1 3.33Å; P820-R824 HydrophobicContact CB-CG 4.48Å; T821-R824 WeakPolarHBondContact O-CB 3.22Å; T821-R824 PolarHBondContact O-N 3.38Å; R824-F826 VanDerWaalsContact C-N 3.29Å; R824-F826 PolarHBondContact O-N 3.26Å; R824-V827 PolarHBondContact O-N 3.21Å; R824-V827 VanDerWaalsContact O-N 3.16Å; R824-I828 HydrophobicContact CG-CD1 4.16Å; R824-I828 WeakPolarHBondContact O-CG1 3.45Å; R824-I828 PolarHBondContact O-N 3.48Å; R824-T845 VanDerWaalsContact NH2-CA 3.34Å; R824-T845 VanDerWaalsContact NH2-CB 3.26Å; R824-T845 PolarHBondContact NH2-O 2.92Å |
| 825 | P | 95.3 | Very high | 92.1 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.7 | -41.1 | 178.6 | -27.1 | 36.9 | 0 | 0 | 0 | 113.1 | I642 F787 L791 F801 R823 I828 A829 | I642-P825 HydrophobicContact CD1-CG 3.81Å; F787-P825 HydrophobicContact CZ-CB 4.28Å; L791-P825 HydrophobicContact CD2-CB 4.21Å; L791-P825 HydrophobicContact CD2-CG 4.47Å; F801-P825 HydrophobicContact CE2-CB 4.39Å; F801-P825 WeakPolarHBondContact CE2-O 3.5Å; R823-P825 VanDerWaalsContact C-CD 3.47Å; P825-I828 WeakPolarHBondContact O-CB 3.3Å; P825-I828 PolarHBondContact O-N 2.74Å; P825-A829 PolarHBondContact O-N 2.92Å |
| 826 | F | 95.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74 | -30.4 | -179 | -51.7 | -66.6 | 0 | 0 | 0 | 112.6 | L791 V798 V805 V806 R823 R824 I828 A829 A830 | L791-F826 HydrophobicContact CD1-CE1 4.45Å; L791-F826 HydrophobicContact CD2-CE1 4.3Å; L791-F826 HydrophobicContact CD2-CZ 3.94Å; V798-F826 HydrophobicContact CB-CZ 4.3Å; V798-F826 HydrophobicContact CG1-CE1 3.45Å; V798-F826 VanDerWaalsContact CG1-CE1 3.45Å; V798-F826 HydrophobicContact CG1-CZ 3.59Å; V798-F826 HydrophobicContact CG2-CE1 4.23Å; V798-F826 HydrophobicContact CG2-CE2 4.42Å; V798-F826 HydrophobicContact CG2-CZ 3.75Å; V805-F826 HydrophobicContact CB-CB 4.16Å; V805-F826 HydrophobicContact CB-CD1 4.06Å; V805-F826 HydrophobicContact CB-CG 4.02Å; V805-F826 HydrophobicContact CG1-CB 4.38Å; V805-F826 HydrophobicContact CG1-CD1 4.35Å; V805-F826 HydrophobicContact CG1-CD2 4.12Å; V805-F826 HydrophobicContact CG1-CG 4.01Å; V805-F826 HydrophobicContact CG2-CD1 4.01Å; V805-F826 HydrophobicContact CG2-CE1 4.32Å; V805-F826 HydrophobicContact CG2-CG 4.45Å; V806-F826 HydrophobicContact CG2-CB 3.73Å; R823-F826 HydrophobicContact CB-CD2 4.38Å; R823-F826 PolarHBondContact O-N 2.79Å; R824-F826 VanDerWaalsContact C-N 3.29Å; R824-F826 PolarHBondContact O-N 3.26Å; F826-I828 VanDerWaalsContact C-N 3.33Å; F826-A829 WeakPolarHBondContact O-CB 3.28Å; F826-A829 PolarHBondContact O-N 3.41Å; F826-A830 WeakPolarHBondContact O-CB 3.16Å; F826-A830 PolarHBondContact O-N 2.79Å |
| 827 | V | 94.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 170.9 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | V806 L813 Q816 L817 R823 R824 A830 A831 | V806-V827 HydrophobicContact CG1-CG2 4.43Å; V806-V827 HydrophobicContact CG2-CG2 4.31Å; L813-V827 HydrophobicContact CD1-CG1 3.7Å; Q816-V827 HydrophobicContact CB-CG1 3.89Å; L817-V827 HydrophobicContact CD2-CG1 3.85Å; L817-V827 HydrophobicContact CG-CG1 3.98Å; R823-V827 PolarHBondContact O-N 2.93Å; R824-V827 PolarHBondContact O-N 3.21Å; R824-V827 VanDerWaalsContact O-N 3.16Å; V827-A830 PolarHBondContact O-N 3.22Å; V827-A831 WeakPolarHBondContact O-CB 3.27Å; V827-A831 PolarHBondContact O-N 3.19Å |
| 828 | I | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 174.1 | -62.2 | 166.9 | 0 | 0 | 0 | 110.5 | F631 F801 L817 R824 P825 F826 A830 A831 L832 I847 L852 L855 | F631-I828 HydrophobicContact CE1-CD1 4.37Å; F631-I828 HydrophobicContact CZ-CD1 4.12Å; F801-I828 HydrophobicContact CZ-CB 4.37Å; F801-I828 HydrophobicContact CZ-CG2 4.1Å; L817-I828 HydrophobicContact CD2-CG1 3.85Å; R824-I828 HydrophobicContact CG-CD1 4.16Å; R824-I828 WeakPolarHBondContact O-CG1 3.45Å; R824-I828 PolarHBondContact O-N 3.48Å; P825-I828 WeakPolarHBondContact O-CB 3.3Å; P825-I828 PolarHBondContact O-N 2.74Å; F826-I828 VanDerWaalsContact C-N 3.33Å; I828-A830 VanDerWaalsContact C-N 3.33Å; I828-A830 PolarHBondContact O-N 3.29Å; I828-A831 PolarHBondContact O-N 3.47Å; I828-L832 HydrophobicContact CG2-CD1 3.94Å; I828-L832 HydrophobicContact CG2-CG 4.35Å; I828-L832 WeakPolarHBondContact O-CG 3.46Å; I828-L832 PolarHBondContact O-N 2.81Å; I828-I847 HydrophobicContact CD1-CD1 3.55Å; I828-L852 HydrophobicContact CG2-CD2 4.28Å; I828-L855 HydrophobicContact CG2-CD1 4.07Å |
| 829 | A | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F801 P803 P825 F826 L832 Q833 I859 | F801-A829 HydrophobicContact CD1-CB 3.97Å; F801-A829 HydrophobicContact CD2-CB 3.98Å; F801-A829 HydrophobicContact CE1-CB 3.69Å; F801-A829 HydrophobicContact CE2-CB 3.76Å; F801-A829 HydrophobicContact CG-CB 4.12Å; F801-A829 VanDerWaalsContact CZ-CA 3.49Å; F801-A829 HydrophobicContact CZ-CB 3.59Å; P803-A829 HydrophobicContact CB-CB 4.02Å; P825-A829 PolarHBondContact O-N 2.92Å; F826-A829 WeakPolarHBondContact O-CB 3.28Å; F826-A829 PolarHBondContact O-N 3.41Å; A829-L832 PolarHBondContact O-N 3.45Å; A829-Q833 WeakPolarHBondContact O-CB 3.36Å; A829-Q833 PolarHBondContact O-N 3.3Å; A829-I859 HydrophobicContact CB-CD1 4.17Å |
| 830 | A | 93.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L808 F826 V827 I828 Q833 L834 | L808-A830 HydrophobicContact CD2-CB 3.68Å; F826-A830 WeakPolarHBondContact O-CB 3.16Å; F826-A830 PolarHBondContact O-N 2.79Å; V827-A830 PolarHBondContact O-N 3.22Å; I828-A830 VanDerWaalsContact C-N 3.33Å; I828-A830 PolarHBondContact O-N 3.29Å; A830-Q833 PolarHBondContact O-N 2.85Å; A830-L834 WeakPolarHBondContact O-CG 3.31Å; A830-L834 PolarHBondContact O-N 3.18Å |
| 831 | A | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L813 L817 V827 I828 L834 G835 M836 L841 | L813-A831 HydrophobicContact CD1-CB 4.25Å; L813-A831 HydrophobicContact CD2-CB 4.02Å; L813-A831 HydrophobicContact CG-CB 4.44Å; L817-A831 HydrophobicContact CD1-CB 4.17Å; V827-A831 WeakPolarHBondContact O-CB 3.27Å; V827-A831 PolarHBondContact O-N 3.19Å; I828-A831 PolarHBondContact O-N 3.47Å; A831-L834 PolarHBondContact O-N 2.68Å; A831-G835 PolarHBondContact O-N 2.6Å; A831-M836 HydrophobicContact CB-CB 4.26Å; A831-M836 HydrophobicContact CB-CE 4.45Å; A831-M836 HydrophobicContact CB-SD 4.1Å; A831-M836 VanDerWaalsContact O-CB 3.31Å; A831-M836 WeakPolarHBondContact O-CB 3.21Å; A831-M836 PolarHBondContact O-N 2.75Å; A831-L841 HydrophobicContact CB-CD2 3.8Å |
| 832 | L | 94.8 | Very high | 93.9 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.2 | -73 | 168.8 | 0 | 0 | 0 | 111.5 | F801 I828 A829 L834 G835 L838 L841 L855 E856 I859 | F801-L832 HydrophobicContact CE1-CD1 3.89Å; F801-L832 HydrophobicContact CZ-CD1 4.06Å; I828-L832 HydrophobicContact CG2-CD1 3.94Å; I828-L832 HydrophobicContact CG2-CG 4.35Å; I828-L832 WeakPolarHBondContact O-CG 3.46Å; I828-L832 PolarHBondContact O-N 2.81Å; A829-L832 PolarHBondContact O-N 3.45Å; L832-L834 PolarHBondContact O-N 2.73Å; L832-G835 PolarHBondContact O-N 2.78Å; L832-L838 HydrophobicContact CD2-CD2 3.8Å; L832-L841 HydrophobicContact CD2-CD1 3.48Å; L832-L841 VanDerWaalsContact CD2-CD1 3.48Å; L832-L841 HydrophobicContact CG-CD1 3.83Å; L832-L855 HydrophobicContact CD1-CB 3.92Å; L832-E856 HydrophobicContact CD2-CB 4Å; L832-E856 HydrophobicContact CD2-CG 4.22Å; L832-I859 HydrophobicContact CB-CB 4.44Å; L832-I859 HydrophobicContact CB-CG1 3.92Å; L832-I859 HydrophobicContact CB-CG2 4.44Å; L832-I859 HydrophobicContact CD1-CG1 4.23Å |
| 833 | Q | 91.3 | Very high | 94 | Very high | 77 Ų | 77 | 41.6 Ų | 41.6 | 36% | 0.36 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.4 | -31.5 | 176 | -166.3 | -173 | 31.9 | 0 | 0 | 112.3 | P803 A829 A830 G835 I859 | P803-Q833 HydrophobicContact CB-CB 3.99Å; P803-Q833 HydrophobicContact CB-CG 4.44Å; P803-Q833 HydrophobicContact CG-CB 4.27Å; P803-Q833 VanDerWaalsContact CG-CD 3.44Å; P803-Q833 HydrophobicContact CG-CG 4.27Å; P803-Q833 VanDerWaalsContact CG-OE1 3.28Å; A829-Q833 WeakPolarHBondContact O-CB 3.36Å; A829-Q833 PolarHBondContact O-N 3.3Å; A830-Q833 PolarHBondContact O-N 2.85Å; Q833-G835 PolarHBondContact O-N 2.85Å; Q833-I859 HydrophobicContact CB-CG2 4.32Å |
| 834 | L | 90.1 | Very high | 94.2 | Very high | 68 Ų | 68 | 40 Ų | 40 | 36% | 0.356 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -5.7 | 173.1 | -74.1 | 177.8 | 0 | 0 | 0 | 114 | L808 K810 L813 A830 A831 L832 | L808-L834 HydrophobicContact CD2-CD1 3.85Å; L808-L834 HydrophobicContact CD2-CD2 4.49Å; L808-L834 HydrophobicContact CD2-CG 4.06Å; K810-L834 HydrophobicContact CG-CD1 4.05Å; L813-L834 HydrophobicContact CD2-CD1 3.91Å; A830-L834 WeakPolarHBondContact O-CG 3.31Å; A830-L834 PolarHBondContact O-N 3.18Å; A831-L834 PolarHBondContact O-N 2.68Å; L832-L834 PolarHBondContact O-N 2.73Å |
| 835 | G | 90.3 | Very high | 94.2 | Very high | 65 Ų | 65 | 39.7 Ų | 39.7 | 67% | 0.67 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 24.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A831 L832 Q833 | A831-G835 PolarHBondContact O-N 2.6Å; L832-G835 PolarHBondContact O-N 2.78Å; Q833-G835 PolarHBondContact O-N 2.85Å |
| 836 | M | 93 | Very high | 94.2 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | trans | -62.8 | 135.2 | 169.7 | -174.4 | 176.4 | -73 | 0 | 0 | 109.6 | L813 L817 A831 E840 L841 L844 | L813-M836 HydrophobicContact CD2-CE 3.72Å; L813-M836 HydrophobicContact CG-CE 4.23Å; L817-M836 HydrophobicContact CD1-CE 3.97Å; L817-M836 HydrophobicContact CD1-SD 3.71Å; A831-M836 HydrophobicContact CB-CB 4.26Å; A831-M836 HydrophobicContact CB-CE 4.45Å; A831-M836 HydrophobicContact CB-SD 4.1Å; A831-M836 VanDerWaalsContact O-CB 3.31Å; A831-M836 WeakPolarHBondContact O-CB 3.21Å; A831-M836 PolarHBondContact O-N 2.75Å; M836-E840 HydrophobicContact CG-CB 3.83Å; M836-E840 HydrophobicContact SD-CB 4.28Å; M836-L841 HydrophobicContact CG-CD2 4.44Å; M836-L841 HydrophobicContact CG-CG 4.06Å; M836-L841 HydrophobicContact SD-CD2 3.6Å; M836-L841 VanDerWaalsContact SD-CD2 3.6Å; M836-L841 HydrophobicContact SD-CG 3.8Å; M836-L844 HydrophobicContact SD-CD1 4.22Å | ||
| 837 | S | 94.9 | Very high | 94.3 | Very high | 50 Ų | 50 | 42 Ų | 42 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | trans | -71.9 | 150.1 | -178 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | R839 E840 L841 | S837-R839 PolarHBondContact O-N 2.85Å; S837-R839 VanDerWaalsContact O-N 3.15Å; S837-E840 WeakPolarHBondContact CB-OE2 3.45Å; S837-E840 PolarHBondContact N-OE2 2.69Å; S837-E840 PolarHBondContact O-N 2.72Å; S837-E840 VanDerWaalsContact O-N 3.09Å; S837-E840 VanDerWaalsContact OG-CD 3.27Å; S837-E840 VanDerWaalsContact OG-CG 3.28Å; S837-E840 WeakPolarHBondContact OG-CG 3.35Å; S837-E840 PolarHBondContact OG-N 2.62Å; S837-E840 PolarHBondContact OG-OE2 3.35Å; S837-L841 PolarHBondContact O-N 2.97Å | ||
| 838 | L | 95.4 | Very high | 94.3 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.6 | -31.7 | 175.3 | -55.3 | -175.4 | 0 | 0 | 0 | 112.3 | L832 L841 H842 Y849 L852 E853 E856 | L832-L838 HydrophobicContact CD2-CD2 3.8Å; L838-L841 PolarHBondContact O-N 3.33Å; L838-H842 VanDerWaalsContact O-CB 3.29Å; L838-H842 WeakPolarHBondContact O-CB 3.42Å; L838-H842 PolarHBondContact O-N 2.91Å; L838-Y849 HydrophobicContact CB-CD1 4.15Å; L838-Y849 HydrophobicContact CB-CE1 4.33Å; L838-L852 HydrophobicContact CD2-CB 4.08Å; L838-E853 HydrophobicContact CD1-CB 4.13Å; L838-E856 HydrophobicContact CD2-CB 4.16Å |
| 839 | R | 95.4 | Very high | 94.3 | Very high | 165 Ų | 165 | 45.5 Ų | 45.5 | 62% | 0.623 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.4 | -44.3 | 176.9 | -177.4 | 178.6 | 179.2 | 176.3 | 2.8 | 112.2 | S837 Q843 Y849 | S837-R839 PolarHBondContact O-N 2.85Å; S837-R839 VanDerWaalsContact O-N 3.15Å; R839-Q843 WeakPolarHBondContact O-CB 3.47Å; R839-Q843 VanDerWaalsContact O-CG 3.23Å; R839-Q843 WeakPolarHBondContact O-CG 3.27Å; R839-Q843 PolarHBondContact O-N 3.17Å; R839-Y849 HydrophobicContact CB-CE1 4.45Å |
| 840 | E | 94.4 | Very high | 94.2 | Very high | 96 Ų | 96 | 45.6 Ų | 45.6 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.9 | -43.9 | 176.3 | -70.7 | 162.9 | 135.8 | 0 | 0 | 110.6 | M836 S837 H842 Q843 L844 | M836-E840 HydrophobicContact CG-CB 3.83Å; M836-E840 HydrophobicContact SD-CB 4.28Å; S837-E840 WeakPolarHBondContact CB-OE2 3.45Å; S837-E840 PolarHBondContact N-OE2 2.69Å; S837-E840 PolarHBondContact O-N 2.72Å; S837-E840 VanDerWaalsContact O-N 3.09Å; S837-E840 VanDerWaalsContact OG-CD 3.27Å; S837-E840 VanDerWaalsContact OG-CG 3.28Å; S837-E840 WeakPolarHBondContact OG-CG 3.35Å; S837-E840 PolarHBondContact OG-N 2.62Å; S837-E840 PolarHBondContact OG-OE2 3.35Å; E840-H842 PolarHBondContact O-N 3.48Å; E840-Q843 PolarHBondContact O-N 2.87Å; E840-L844 WeakPolarHBondContact O-CG 3.21Å; E840-L844 PolarHBondContact O-N 3.45Å |
| 841 | L | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.7 | -48.4 | 175.2 | -76.5 | 170.6 | 0 | 0 | 0 | 111.8 | L817 A831 L832 M836 S837 L838 Q843 L844 T845 L852 | L817-L841 HydrophobicContact CD1-CD2 3.84Å; L817-L841 HydrophobicContact CD2-CD2 3.89Å; A831-L841 HydrophobicContact CB-CD2 3.8Å; L832-L841 HydrophobicContact CD2-CD1 3.48Å; L832-L841 VanDerWaalsContact CD2-CD1 3.48Å; L832-L841 HydrophobicContact CG-CD1 3.83Å; M836-L841 HydrophobicContact CG-CD2 4.44Å; M836-L841 HydrophobicContact CG-CG 4.06Å; M836-L841 HydrophobicContact SD-CD2 3.6Å; M836-L841 VanDerWaalsContact SD-CD2 3.6Å; M836-L841 HydrophobicContact SD-CG 3.8Å; S837-L841 PolarHBondContact O-N 2.97Å; L838-L841 PolarHBondContact O-N 3.33Å; L841-Q843 PolarHBondContact O-N 2.94Å; L841-L844 PolarHBondContact O-N 3.36Å; L841-T845 VanDerWaalsContact O-CB 3.31Å; L841-T845 WeakPolarHBondContact O-CB 3.49Å; L841-T845 WeakPolarHBondContact O-CG2 3.3Å; L841-T845 PolarHBondContact O-N 2.79Å; L841-T845 PolarHBondContact O-OG1 3.45Å; L841-L852 HydrophobicContact CB-CD1 3.91Å; L841-L852 HydrophobicContact CB-CD2 4.38Å |
| 842 | H | 95.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 177 | 177.4 | 74.1 | 0 | 0 | 0 | 111.6 | L838 E840 L844 T845 N846 I847 Y849 L852 | L838-H842 VanDerWaalsContact O-CB 3.29Å; L838-H842 WeakPolarHBondContact O-CB 3.42Å; L838-H842 PolarHBondContact O-N 2.91Å; E840-H842 PolarHBondContact O-N 3.48Å; H842-L844 VanDerWaalsContact C-N 3.31Å; H842-L844 PolarHBondContact O-N 2.81Å; H842-T845 PolarHBondContact O-N 3.12Å; H842-N846 WeakPolarHBondContact O-CA 3.33Å; H842-N846 PolarHBondContact O-N 3.11Å; H842-I847 PolarHBondContact ND1-O 2.95Å; H842-Y849 HydrophobicContact CB-CD1 4.19Å; H842-Y849 HydrophobicContact CB-CD2 4.47Å; H842-Y849 HydrophobicContact CB-CE1 3.7Å; H842-Y849 HydrophobicContact CB-CE2 3.99Å; H842-Y849 AromaticContact CD2-CE2 3.32Å; H842-Y849 WeakPolarHBondContact CD2-CE2 3.47Å; H842-Y849 AromaticContact CD2-CZ 3.52Å; H842-Y849 PolarHBondContact CD2-OH 3.36Å; H842-Y849 AromaticContact CE1-CE2 3.94Å; H842-Y849 AromaticContact CG-CD2 3.94Å; H842-Y849 AromaticContact CG-CE2 3.44Å; H842-Y849 VanDerWaalsContact CG-CE2 3.44Å; H842-Y849 AromaticContact CG-CZ 3.53Å; H842-Y849 AromaticContact ND1-CD2 3.92Å; H842-Y849 AromaticContact ND1-CE2 3.83Å; H842-Y849 AromaticContact NE2-CE2 3.64Å; H842-L852 HydrophobicContact CB-CD1 3.95Å |
| 843 | Q | 94.5 | Very high | 94.5 | Very high | 117 Ų | 117 | 45.8 Ų | 45.8 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.2 | -35.9 | 178.2 | -76 | 174.7 | -9.3 | 0 | 0 | 113.3 | R839 E840 L841 | R839-Q843 WeakPolarHBondContact O-CB 3.47Å; R839-Q843 VanDerWaalsContact O-CG 3.23Å; R839-Q843 WeakPolarHBondContact O-CG 3.27Å; R839-Q843 PolarHBondContact O-N 3.17Å; E840-Q843 PolarHBondContact O-N 2.87Å; L841-Q843 PolarHBondContact O-N 2.94Å |
| 844 | L | 94.2 | Very high | 94.7 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -80 | -33.8 | 179.7 | -68.9 | 169.8 | 0 | 0 | 0 | 112.7 | A814 L817 S818 M836 E840 L841 H842 | A814-L844 HydrophobicContact CB-CD1 4.37Å; A814-L844 HydrophobicContact CB-CD2 4.39Å; L817-L844 HydrophobicContact CB-CB 4.08Å; L817-L844 HydrophobicContact CB-CD1 4.24Å; L817-L844 HydrophobicContact CD1-CD1 3.83Å; S818-L844 WeakPolarHBondContact CA-O 3.47Å; S818-L844 WeakPolarHBondContact OG-CD2 3.27Å; S818-L844 PolarHBondContact OG-O 2.73Å; M836-L844 HydrophobicContact SD-CD1 4.22Å; E840-L844 WeakPolarHBondContact O-CG 3.21Å; E840-L844 PolarHBondContact O-N 3.45Å; L841-L844 PolarHBondContact O-N 3.36Å; H842-L844 VanDerWaalsContact C-N 3.31Å; H842-L844 PolarHBondContact O-N 2.81Å |
| 845 | T | 95.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -107.6 | -24.7 | -168.1 | 63.7 | 0 | 0 | 0 | 0 | 114.5 | P633 L817 R824 L841 H842 I847 | P633-T845 VanDerWaalsContact CG-O 3.3Å; P633-T845 WeakPolarHBondContact CG-O 3.41Å; L817-T845 HydrophobicContact CB-CG2 4.17Å; L817-T845 HydrophobicContact CD2-CG2 4.14Å; R824-T845 VanDerWaalsContact NH2-CA 3.34Å; R824-T845 VanDerWaalsContact NH2-CB 3.26Å; R824-T845 PolarHBondContact NH2-O 2.92Å; L841-T845 VanDerWaalsContact O-CB 3.31Å; L841-T845 WeakPolarHBondContact O-CB 3.49Å; L841-T845 WeakPolarHBondContact O-CG2 3.3Å; L841-T845 PolarHBondContact O-N 2.79Å; L841-T845 PolarHBondContact O-OG1 3.45Å; H842-T845 PolarHBondContact O-N 3.12Å; T845-I847 HydrophobicContact CG2-CD1 4.21Å; T845-I847 PolarHBondContact O-N 2.94Å; T845-I847 PolarHBondContact OG1-N 2.93Å |
| 846 | N | 94.7 | Very high | 95.4 | Very high | 73 Ų | 73 | 39 Ų | 39 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | trans | 55.9 | 15 | -163.9 | -57.9 | -65.5 | 0 | 0 | 0 | 115 | P633 H842 | P633-N846 HydrophobicContact CB-CB 4.12Å; P633-N846 HydrophobicContact CG-CB 3.74Å; H842-N846 WeakPolarHBondContact O-CA 3.33Å; H842-N846 PolarHBondContact O-N 3.11Å | ||
| 847 | I | 96.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | trans | -67.9 | 137.8 | 173.2 | -66.2 | 164.5 | 0 | 0 | 0 | 108.7 | F631 I828 H842 T845 Y849 F851 L852 | F631-I847 HydrophobicContact CD1-CD1 4.39Å; F631-I847 HydrophobicContact CD2-CG2 4.42Å; F631-I847 HydrophobicContact CE1-CD1 3.52Å; F631-I847 HydrophobicContact CE1-CG1 4.2Å; F631-I847 HydrophobicContact CE1-CG2 4.4Å; F631-I847 HydrophobicContact CE2-CG2 4.04Å; F631-I847 HydrophobicContact CZ-CD1 3.75Å; F631-I847 HydrophobicContact CZ-CG1 4.49Å; F631-I847 HydrophobicContact CZ-CG2 4.01Å; I828-I847 HydrophobicContact CD1-CD1 3.55Å; H842-I847 PolarHBondContact ND1-O 2.95Å; T845-I847 HydrophobicContact CG2-CD1 4.21Å; T845-I847 PolarHBondContact O-N 2.94Å; T845-I847 PolarHBondContact OG1-N 2.93Å; I847-Y849 PolarHBondContact O-N 3.41Å; I847-F851 HydrophobicContact CG2-CB 3.92Å; I847-F851 HydrophobicContact CG2-CD2 4.43Å; I847-L852 HydrophobicContact CB-CD1 4.49Å; I847-L852 HydrophobicContact CB-CD2 4.16Å; I847-L852 HydrophobicContact CB-CG 4.27Å; I847-L852 HydrophobicContact CG2-CD2 3.91Å; I847-L852 HydrophobicContact CG2-CG 3.91Å | ||
| 848 | D | 95.2 | Very high | 95.7 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 11% | 0.107 | 17% | 0.165 | C | C | . | . | trans | -58 | 139.3 | -179.9 | -165.5 | -72.5 | 0 | 0 | 0 | 111.4 | K608 T649 W850 F851 L852 | K608-D848 WeakPolarHBondContact CE-OD2 3.42Å; K608-D848 IonicContact NZ-OD2 3.92Å; K608-D848 PolarHBondContact NZ-OD2 2.88Å; T649-D848 HydrophobicContact CG2-CB 4.31Å; D848-W850 PolarHBondContact O-N 3.29Å; D848-W850 WeakPolarHBondContact OD1-CB 3.45Å; D848-W850 PolarHBondContact OD1-N 3.06Å; D848-F851 HydrophobicContact CB-CD2 3.9Å; D848-F851 HydrophobicContact CB-CE2 4.37Å; D848-F851 PolarHBondContact O-N 2.93Å; D848-F851 VanDerWaalsContact O-N 3.15Å; D848-L852 PolarHBondContact O-N 3.43Å | ||
| 849 | Y | 95 | Very high | 95.7 | Very high | 57 Ų | 57 | 35.7 Ų | 35.7 | 22% | 0.224 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.8 | -32.6 | -179.3 | -79.2 | -78.9 | 0 | 0 | 0 | 112.9 | F109 L838 R839 H842 I847 F851 L852 E853 | F109-Y849 HydrophobicContact CB-CG 4.45Å; F109-Y849 HydrophobicContact CD1-CD1 4.35Å; F109-Y849 HydrophobicContact CD1-CD2 4.16Å; F109-Y849 AromaticContact CD1-CG 3.73Å; F109-Y849 HydrophobicContact CD1-CG 3.73Å; F109-Y849 HydrophobicContact CE1-CD1 4.26Å; F109-Y849 HydrophobicContact CE1-CG 4.09Å; F109-Y849 HydrophobicContact CG-CG 4.08Å; L838-Y849 HydrophobicContact CB-CD1 4.15Å; L838-Y849 HydrophobicContact CB-CE1 4.33Å; R839-Y849 HydrophobicContact CB-CE1 4.45Å; H842-Y849 HydrophobicContact CB-CD1 4.19Å; H842-Y849 HydrophobicContact CB-CD2 4.47Å; H842-Y849 HydrophobicContact CB-CE1 3.7Å; H842-Y849 HydrophobicContact CB-CE2 3.99Å; H842-Y849 AromaticContact CD2-CE2 3.32Å; H842-Y849 WeakPolarHBondContact CD2-CE2 3.47Å; H842-Y849 AromaticContact CD2-CZ 3.52Å; H842-Y849 PolarHBondContact CD2-OH 3.36Å; H842-Y849 AromaticContact CE1-CE2 3.94Å; H842-Y849 AromaticContact CG-CD2 3.94Å; H842-Y849 AromaticContact CG-CE2 3.44Å; H842-Y849 VanDerWaalsContact CG-CE2 3.44Å; H842-Y849 AromaticContact CG-CZ 3.53Å; H842-Y849 AromaticContact ND1-CD2 3.92Å; H842-Y849 AromaticContact ND1-CE2 3.83Å; H842-Y849 AromaticContact NE2-CE2 3.64Å; I847-Y849 PolarHBondContact O-N 3.41Å; Y849-F851 PolarHBondContact O-N 2.76Å; Y849-L852 PolarHBondContact O-N 3.18Å; Y849-E853 WeakPolarHBondContact O-CB 3.47Å; Y849-E853 PolarHBondContact O-N 2.82Å |
| 850 | W | 95 | Very high | 95.7 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 178.2 | -176.5 | 89.3 | 0 | 0 | 0 | 111.3 | L67 F109 Q648 T649 F783 D848 L852 E853 K854 | L67-W850 HydrophobicContact CD1-CH2 4.43Å; L67-W850 HydrophobicContact CD1-CZ2 4.43Å; F109-W850 HydrophobicContact CD2-CB 4.39Å; Q648-W850 HydrophobicContact CB-CD2 4.24Å; Q648-W850 HydrophobicContact CB-CE3 3.73Å; Q648-W850 HydrophobicContact CB-CH2 3.58Å; Q648-W850 HydrophobicContact CB-CZ2 4.08Å; Q648-W850 HydrophobicContact CB-CZ3 3.4Å; Q648-W850 VanDerWaalsContact CB-CZ3 3.4Å; Q648-W850 HydrophobicContact CG-CE3 4.38Å; Q648-W850 HydrophobicContact CG-CH2 3.57Å; Q648-W850 HydrophobicContact CG-CZ2 4.42Å; Q648-W850 HydrophobicContact CG-CZ3 3.56Å; T649-W850 HydrophobicContact CG2-CB 3.92Å; T649-W850 HydrophobicContact CG2-CD2 4.48Å; T649-W850 HydrophobicContact CG2-CE3 4.45Å; T649-W850 HydrophobicContact CG2-CG 4.29Å; F783-W850 HydrophobicContact CB-CH2 3.88Å; F783-W850 HydrophobicContact CB-CZ3 4.41Å; F783-W850 HydrophobicContact CD2-CH2 4.42Å; F783-W850 HydrophobicContact CD2-CZ3 4.22Å; F783-W850 HydrophobicContact CG-CH2 4.11Å; F783-W850 HydrophobicContact CG-CZ3 4.14Å; D848-W850 PolarHBondContact O-N 3.29Å; D848-W850 WeakPolarHBondContact OD1-CB 3.45Å; D848-W850 PolarHBondContact OD1-N 3.06Å; W850-L852 PolarHBondContact O-N 3.23Å; W850-E853 PolarHBondContact O-N 3.36Å; W850-K854 HydrophobicContact CD2-CG 4.23Å; W850-K854 HydrophobicContact CE3-CG 4.28Å; W850-K854 HydrophobicContact CH2-CG 4.18Å; W850-K854 HydrophobicContact CZ2-CD 4.43Å; W850-K854 HydrophobicContact CZ2-CG 4.13Å; W850-K854 HydrophobicContact CZ3-CG 4.24Å; W850-K854 VanDerWaalsContact O-CG 3.27Å; W850-K854 WeakPolarHBondContact O-CG 2.87Å; W850-K854 PolarHBondContact O-N 3.46Å; W850-K854 VanDerWaalsContact O-N 3.11Å |
| 851 | F | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 176 | -67.7 | -61.9 | 0 | 0 | 0 | 111.4 | E629 F631 V644 Q648 T649 F783 I847 D848 Y849 E853 K854 L855 | E629-F851 HydrophobicContact CG-CE2 4.43Å; E629-F851 HydrophobicContact CG-CZ 4.33Å; F631-F851 HydrophobicContact CD2-CB 3.75Å; F631-F851 AromaticContact CD2-CD1 3.9Å; F631-F851 HydrophobicContact CD2-CD1 3.9Å; F631-F851 HydrophobicContact CD2-CD2 4.23Å; F631-F851 AromaticContact CD2-CG 3.71Å; F631-F851 HydrophobicContact CD2-CG 3.71Å; F631-F851 HydrophobicContact CE2-CB 3.72Å; F631-F851 HydrophobicContact CE2-CG 4.22Å; V644-F851 HydrophobicContact CB-CE1 4.46Å; V644-F851 HydrophobicContact CG2-CE1 3.83Å; V644-F851 HydrophobicContact CG2-CZ 4.26Å; Q648-F851 HydrophobicContact CB-CE1 4.32Å; Q648-F851 HydrophobicContact CB-CZ 4.32Å; Q648-F851 HydrophobicContact CG-CE1 4.24Å; T649-F851 HydrophobicContact CG2-CE2 4.33Å; F783-F851 HydrophobicContact CE1-CD1 4.41Å; F783-F851 AromaticContact CE2-CD1 3.89Å; F783-F851 HydrophobicContact CE2-CD1 3.89Å; F783-F851 HydrophobicContact CE2-CE1 4.01Å; F783-F851 AromaticContact CZ-CD1 3.8Å; F783-F851 HydrophobicContact CZ-CD1 3.8Å; F783-F851 HydrophobicContact CZ-CE1 4.38Å; I847-F851 HydrophobicContact CG2-CB 3.92Å; I847-F851 HydrophobicContact CG2-CD2 4.43Å; D848-F851 HydrophobicContact CB-CD2 3.9Å; D848-F851 HydrophobicContact CB-CE2 4.37Å; D848-F851 PolarHBondContact O-N 2.93Å; D848-F851 VanDerWaalsContact O-N 3.15Å; Y849-F851 PolarHBondContact O-N 2.76Å; F851-E853 PolarHBondContact O-N 2.93Å; F851-K854 PolarHBondContact O-N 3.05Å; F851-L855 VanDerWaalsContact O-CG 3.31Å; F851-L855 WeakPolarHBondContact O-CG 3.32Å; F851-L855 PolarHBondContact O-N 3.3Å |
| 852 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | -179.9 | -63.4 | 175.6 | 0 | 0 | 0 | 112.5 | I828 L838 L841 H842 I847 D848 Y849 W850 L855 E856 | I828-L852 HydrophobicContact CG2-CD2 4.28Å; L838-L852 HydrophobicContact CD2-CB 4.08Å; L841-L852 HydrophobicContact CB-CD1 3.91Å; L841-L852 HydrophobicContact CB-CD2 4.38Å; H842-L852 HydrophobicContact CB-CD1 3.95Å; I847-L852 HydrophobicContact CB-CD1 4.49Å; I847-L852 HydrophobicContact CB-CD2 4.16Å; I847-L852 HydrophobicContact CB-CG 4.27Å; I847-L852 HydrophobicContact CG2-CD2 3.91Å; I847-L852 HydrophobicContact CG2-CG 3.91Å; D848-L852 PolarHBondContact O-N 3.43Å; Y849-L852 PolarHBondContact O-N 3.18Å; W850-L852 PolarHBondContact O-N 3.23Å; L852-L855 PolarHBondContact O-N 3.32Å; L852-E856 PolarHBondContact O-N 3.17Å |
| 853 | E | 95.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 29.4 Ų | 29.4 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 174.9 | -170.9 | -139 | 153.5 | 0 | 0 | 111 | F109 L838 Y849 W850 F851 L855 E856 R857 | F109-E853 HydrophobicContact CE2-CB 4.13Å; F109-E853 HydrophobicContact CE2-CG 4.44Å; L838-E853 HydrophobicContact CD1-CB 4.13Å; Y849-E853 WeakPolarHBondContact O-CB 3.47Å; Y849-E853 PolarHBondContact O-N 2.82Å; W850-E853 PolarHBondContact O-N 3.36Å; F851-E853 PolarHBondContact O-N 2.93Å; E853-L855 VanDerWaalsContact C-N 3.31Å; E853-L855 PolarHBondContact O-N 2.96Å; E853-E856 WeakPolarHBondContact O-CB 3.38Å; E853-E856 PolarHBondContact O-N 2.86Å; E853-R857 WeakPolarHBondContact O-CG 3.46Å; E853-R857 PolarHBondContact O-N 3.21Å; E853-R857 VanDerWaalsContact O-N 3.13Å; E853-R857 IonicContact OE1-CZ 2.62Å; E853-R857 IonicContact OE1-NE 2.73Å; E853-R857 PolarHBondContact OE1-NE 2.9Å; E853-R857 VanDerWaalsContact OE1-NE 3.11Å; E853-R857 IonicContact OE1-NH2 3.48Å; E853-R857 PolarHBondContact OE1-NH2 2.86Å |
| 854 | K | 95.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.5 | -38.3 | 176.9 | -68.3 | -67.9 | -170.5 | 161.4 | 0 | 112.6 | E103 F783 E784 W850 F851 R857 | E103-K854 IonicContact OE1-NZ 2.93Å; E103-K854 PolarHBondContact OE1-NZ 2.99Å; E103-K854 IonicContact OE2-NZ 3.93Å; F783-K854 HydrophobicContact CD1-CB 3.59Å; F783-K854 HydrophobicContact CD1-CG 4.15Å; F783-K854 HydrophobicContact CE1-CB 3.96Å; E784-K854 VanDerWaalsContact OE1-CD 3.27Å; E784-K854 WeakPolarHBondContact OE1-CD 3.25Å; E784-K854 IonicContact OE1-NZ 3.89Å; E784-K854 IonicContact OE2-NZ 2.6Å; W850-K854 HydrophobicContact CD2-CG 4.23Å; W850-K854 HydrophobicContact CE3-CG 4.28Å; W850-K854 HydrophobicContact CH2-CG 4.18Å; W850-K854 HydrophobicContact CZ2-CD 4.43Å; W850-K854 HydrophobicContact CZ2-CG 4.13Å; W850-K854 HydrophobicContact CZ3-CG 4.24Å; W850-K854 VanDerWaalsContact O-CG 3.27Å; W850-K854 WeakPolarHBondContact O-CG 2.87Å; W850-K854 PolarHBondContact O-N 3.46Å; W850-K854 VanDerWaalsContact O-N 3.11Å; F851-K854 PolarHBondContact O-N 3.05Å; K854-R857 PolarHBondContact O-N 3.16Å |
| 855 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.6 | -39.2 | 173.9 | -67.2 | -179 | 0 | 0 | 0 | 112.7 | F631 F783 F787 F801 I828 L832 F851 L852 E853 R857 I858 I859 | F631-L855 HydrophobicContact CE2-CD1 3.75Å; F631-L855 HydrophobicContact CZ-CD1 3.79Å; F783-L855 HydrophobicContact CE1-CD2 4.21Å; F787-L855 HydrophobicContact CD1-CD2 3.62Å; F787-L855 HydrophobicContact CE1-CD2 3.25Å; F787-L855 HydrophobicContact CE2-CD2 4.35Å; F787-L855 HydrophobicContact CG-CD2 4.3Å; F787-L855 HydrophobicContact CZ-CD2 3.68Å; F801-L855 HydrophobicContact CD1-CD2 4.44Å; F801-L855 HydrophobicContact CD2-CD2 4.22Å; F801-L855 HydrophobicContact CE1-CB 3.8Å; F801-L855 HydrophobicContact CE1-CD2 4.19Å; F801-L855 HydrophobicContact CE1-CG 4.43Å; F801-L855 HydrophobicContact CE2-CD1 4.09Å; F801-L855 HydrophobicContact CE2-CD2 3.91Å; F801-L855 HydrophobicContact CE2-CG 4.42Å; F801-L855 HydrophobicContact CG-CD2 4.45Å; F801-L855 HydrophobicContact CZ-CB 3.78Å; F801-L855 HydrophobicContact CZ-CD1 3.85Å; F801-L855 HydrophobicContact CZ-CD2 3.91Å; F801-L855 HydrophobicContact CZ-CG 4.05Å; I828-L855 HydrophobicContact CG2-CD1 4.07Å; L832-L855 HydrophobicContact CD1-CB 3.92Å; F851-L855 VanDerWaalsContact O-CG 3.31Å; F851-L855 WeakPolarHBondContact O-CG 3.32Å; F851-L855 PolarHBondContact O-N 3.3Å; L852-L855 PolarHBondContact O-N 3.32Å; E853-L855 VanDerWaalsContact C-N 3.31Å; E853-L855 PolarHBondContact O-N 2.96Å; L855-R857 VanDerWaalsContact C-N 3.29Å; L855-R857 PolarHBondContact O-N 3.28Å; L855-I858 HydrophobicContact CD2-CD1 4.28Å; L855-I858 WeakPolarHBondContact O-CB 3.26Å; L855-I858 PolarHBondContact O-N 3Å; L855-I859 PolarHBondContact O-N 3.1Å |
| 856 | E | 97 | Very high | 95.2 | Very high | 66 Ų | 66 | 27.6 Ų | 27.6 | 31% | 0.308 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.5 | -40 | 176.1 | -174.3 | 179.7 | -137.7 | 0 | 0 | 111.6 | L832 L838 L852 E853 I858 I859 L860 | L832-E856 HydrophobicContact CD2-CB 4Å; L832-E856 HydrophobicContact CD2-CG 4.22Å; L838-E856 HydrophobicContact CD2-CB 4.16Å; L852-E856 PolarHBondContact O-N 3.17Å; E853-E856 WeakPolarHBondContact O-CB 3.38Å; E853-E856 PolarHBondContact O-N 2.86Å; E856-I858 PolarHBondContact O-N 3.14Å; E856-I859 PolarHBondContact O-N 2.81Å; E856-L860 HydrophobicContact CG-CD1 4.14Å; E856-L860 HydrophobicContact CG-CG 4.21Å; E856-L860 WeakPolarHBondContact O-CG 3.37Å; E856-L860 PolarHBondContact O-N 3.17Å |
| 857 | R | 95.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.8 | -36.2 | 177 | -68.6 | 173.5 | 178.9 | -157.4 | -0.4 | 113.1 | E103 E784 E853 K854 L855 L860 L861 F883 | E103-R857 IonicContact OE1-NH1 2.74Å; E103-R857 PolarHBondContact OE1-NH1 2.88Å; E784-R857 VanDerWaalsContact OE1-CD 3.26Å; E784-R857 WeakPolarHBondContact OE1-CD 3.49Å; E784-R857 IonicContact OE1-NH1 3.65Å; E853-R857 WeakPolarHBondContact O-CG 3.46Å; E853-R857 PolarHBondContact O-N 3.21Å; E853-R857 VanDerWaalsContact O-N 3.13Å; E853-R857 IonicContact OE1-CZ 2.62Å; E853-R857 IonicContact OE1-NE 2.73Å; E853-R857 PolarHBondContact OE1-NE 2.9Å; E853-R857 VanDerWaalsContact OE1-NE 3.11Å; E853-R857 IonicContact OE1-NH2 3.48Å; E853-R857 PolarHBondContact OE1-NH2 2.86Å; K854-R857 PolarHBondContact O-N 3.16Å; L855-R857 VanDerWaalsContact C-N 3.29Å; L855-R857 PolarHBondContact O-N 3.28Å; R857-L860 PolarHBondContact O-N 2.78Å; R857-L861 PolarHBondContact O-N 2.82Å; R857-F883 HydrophobicContact CB-CE2 4.09Å |
| 858 | I | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 176.2 | -59.4 | 167.9 | 0 | 0 | 0 | 110.1 | E784 F787 Q788 F801 L855 E856 L860 L861 Q862 F885 | E784-I858 HydrophobicContact CB-CD1 4.22Å; E784-I858 HydrophobicContact CB-CG1 4.06Å; E784-I858 HydrophobicContact CG-CD1 4.28Å; E784-I858 HydrophobicContact CG-CG1 3.92Å; F787-I858 HydrophobicContact CD1-CD1 4.37Å; Q788-I858 HydrophobicContact CG-CD1 3.86Å; Q788-I858 HydrophobicContact CG-CG2 4.39Å; F801-I858 HydrophobicContact CB-CD1 4.24Å; F801-I858 HydrophobicContact CB-CG2 4.05Å; F801-I858 HydrophobicContact CD1-CB 4.18Å; F801-I858 HydrophobicContact CD1-CD1 4.37Å; F801-I858 HydrophobicContact CD1-CG2 4.18Å; L855-I858 HydrophobicContact CD2-CD1 4.28Å; L855-I858 WeakPolarHBondContact O-CB 3.26Å; L855-I858 PolarHBondContact O-N 3Å; E856-I858 PolarHBondContact O-N 3.14Å; I858-L860 PolarHBondContact O-N 3.42Å; I858-L861 PolarHBondContact O-N 2.92Å; I858-Q862 WeakPolarHBondContact O-CB 3.48Å; I858-Q862 PolarHBondContact O-N 2.87Å; I858-F885 HydrophobicContact CG2-CE2 3.96Å; I858-F885 HydrophobicContact CG2-CZ 3.8Å |
| 859 | I | 96.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 178.8 | -60.8 | -61 | 0 | 0 | 0 | 111.8 | F801 P803 A829 L832 Q833 L855 E856 Q862 S863 | F801-I859 HydrophobicContact CD1-CD1 3.81Å; F801-I859 HydrophobicContact CD1-CG1 4.05Å; F801-I859 HydrophobicContact CE1-CD1 3.89Å; F801-I859 HydrophobicContact CE1-CG1 3.79Å; P803-I859 HydrophobicContact CG-CD1 4.4Å; A829-I859 HydrophobicContact CB-CD1 4.17Å; L832-I859 HydrophobicContact CB-CB 4.44Å; L832-I859 HydrophobicContact CB-CG1 3.92Å; L832-I859 HydrophobicContact CB-CG2 4.44Å; L832-I859 HydrophobicContact CD1-CG1 4.23Å; Q833-I859 HydrophobicContact CB-CG2 4.32Å; L855-I859 PolarHBondContact O-N 3.1Å; E856-I859 PolarHBondContact O-N 2.81Å; I859-Q862 PolarHBondContact O-N 2.83Å; I859-S863 WeakPolarHBondContact O-CB 3.42Å; I859-S863 PolarHBondContact O-N 2.82Å; I859-S863 PolarHBondContact O-OG 2.95Å |
| 860 | L | 95.8 | Very high | 92.3 | Very high | 103 Ų | 103 | 38.5 Ų | 38.5 | 54% | 0.539 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.6 | -43 | 174.3 | -68.5 | 175.4 | 0 | 0 | 0 | 111.6 | E856 R857 I858 S863 L864 | E856-L860 HydrophobicContact CG-CD1 4.14Å; E856-L860 HydrophobicContact CG-CG 4.21Å; E856-L860 WeakPolarHBondContact O-CG 3.37Å; E856-L860 PolarHBondContact O-N 3.17Å; R857-L860 PolarHBondContact O-N 2.78Å; I858-L860 PolarHBondContact O-N 3.42Å; L860-S863 WeakPolarHBondContact O-CB 3.35Å; L860-S863 PolarHBondContact O-N 3.01Å; L860-L864 PolarHBondContact O-N 2.97Å |
| 861 | L | 95.1 | Very high | 91 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69 | -39.7 | 177.5 | -173.6 | 55 | 0 | 0 | 0 | 112.1 | R857 I858 S863 L864 L865 L876 K879 A880 F883 F885 | R857-L861 PolarHBondContact O-N 2.82Å; I858-L861 PolarHBondContact O-N 2.92Å; L861-S863 VanDerWaalsContact C-N 3.3Å; L861-S863 PolarHBondContact O-N 2.95Å; L861-L864 HydrophobicContact CD1-CD2 4.1Å; L861-L864 WeakPolarHBondContact O-CB 3.05Å; L861-L864 PolarHBondContact O-N 2.87Å; L861-L864 VanDerWaalsContact O-N 3.16Å; L861-L865 WeakPolarHBondContact O-CG 3.47Å; L861-L865 PolarHBondContact O-N 2.85Å; L861-L876 HydrophobicContact CD1-CD1 3.74Å; L861-K879 HydrophobicContact CD2-CG 4.27Å; L861-A880 HydrophobicContact CD2-CB 4.46Å; L861-F883 HydrophobicContact CB-CD2 4.31Å; L861-F883 HydrophobicContact CD2-CB 3.91Å; L861-F883 HydrophobicContact CD2-CD2 3.39Å; L861-F883 HydrophobicContact CD2-CE2 4.04Å; L861-F883 HydrophobicContact CD2-CG 3.73Å; L861-F883 HydrophobicContact CG-CD2 4.5Å; L861-F885 HydrophobicContact CB-CE2 4.33Å; L861-F885 HydrophobicContact CB-CZ 4.31Å; L861-F885 HydrophobicContact CD2-CD2 4.32Å; L861-F885 HydrophobicContact CD2-CE2 3.88Å; L861-F885 HydrophobicContact CG-CE2 4.2Å; L861-F885 HydrophobicContact CG-CZ 4.38Å |
| 862 | Q | 94.2 | Very high | 90.1 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.1 | -45.7 | 170.6 | 165.1 | 176.6 | -20.6 | 0 | 0 | 111.6 | I858 I859 L864 L865 T866 F885 Y893 | I858-Q862 WeakPolarHBondContact O-CB 3.48Å; I858-Q862 PolarHBondContact O-N 2.87Å; I859-Q862 PolarHBondContact O-N 2.83Å; Q862-L864 VanDerWaalsContact C-N 3.28Å; Q862-L864 PolarHBondContact O-N 3.34Å; Q862-L865 PolarHBondContact O-N 3.26Å; Q862-T866 WeakPolarHBondContact O-CB 3.47Å; Q862-T866 PolarHBondContact O-N 3.49Å; Q862-T866 PolarHBondContact O-OG1 2.94Å; Q862-F885 HydrophobicContact CB-CE1 4.22Å; Q862-F885 HydrophobicContact CB-CZ 4.25Å; Q862-Y893 HydrophobicContact CB-CD2 4.39Å; Q862-Y893 HydrophobicContact CB-CE2 4.14Å; Q862-Y893 VanDerWaalsContact CD-CE1 3.5Å; Q862-Y893 HydrophobicContact CG-CD1 3.91Å; Q862-Y893 HydrophobicContact CG-CD2 3.9Å; Q862-Y893 HydrophobicContact CG-CE1 3.66Å; Q862-Y893 HydrophobicContact CG-CE2 3.58Å; Q862-Y893 HydrophobicContact CG-CG 4.07Å; Q862-Y893 VanDerWaalsContact NE2-CE1 3.25Å; Q862-Y893 VanDerWaalsContact NE2-CZ 3.31Å; Q862-Y893 PolarHBondContact NE2-OH 3Å; Q862-Y893 VanDerWaalsContact NE2-OH 3.15Å; Q862-Y893 PolarHBondContact OE1-OH 3.27Å |
| 863 | S | 93.2 | Very high | 89.6 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 178 | -61.9 | 0 | 0 | 0 | 0 | 112 | I859 L860 L861 R867 | I859-S863 WeakPolarHBondContact O-CB 3.42Å; I859-S863 PolarHBondContact O-N 2.82Å; I859-S863 PolarHBondContact O-OG 2.95Å; L860-S863 WeakPolarHBondContact O-CB 3.35Å; L860-S863 PolarHBondContact O-N 3.01Å; L861-S863 VanDerWaalsContact C-N 3.3Å; L861-S863 PolarHBondContact O-N 2.95Å; S863-R867 WeakPolarHBondContact O-CB 3.35Å; S863-R867 PolarHBondContact O-N 2.91Å; S863-R867 VanDerWaalsContact O-N 3.1Å |
| 864 | L | 92.6 | Very high | 89.5 | Confident | 57 Ų | 57 | 55 Ų | 55 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.5 | -45.9 | 174.7 | -177.4 | 62.7 | 0 | 0 | 0 | 112.2 | L860 L861 Q862 T866 R867 N868 L876 | L860-L864 PolarHBondContact O-N 2.97Å; L861-L864 HydrophobicContact CD1-CD2 4.1Å; L861-L864 WeakPolarHBondContact O-CB 3.05Å; L861-L864 PolarHBondContact O-N 2.87Å; L861-L864 VanDerWaalsContact O-N 3.16Å; Q862-L864 VanDerWaalsContact C-N 3.28Å; Q862-L864 PolarHBondContact O-N 3.34Å; L864-T866 VanDerWaalsContact C-N 3.33Å; L864-T866 PolarHBondContact O-N 3.33Å; L864-R867 PolarHBondContact O-N 3.21Å; L864-N868 PolarHBondContact O-N 3.09Å; L864-L876 HydrophobicContact CD2-CD1 3.64Å; L864-L876 HydrophobicContact CG-CD1 4.15Å; L864-L876 HydrophobicContact CG-CD2 4.42Å |
| 865 | L | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 174.9 | -72.1 | 170.7 | 0 | 0 | 0 | 111.2 | L861 Q862 R867 N868 G869 T872 L876 A880 F885 I894 | L861-L865 WeakPolarHBondContact O-CG 3.47Å; L861-L865 PolarHBondContact O-N 2.85Å; Q862-L865 PolarHBondContact O-N 3.26Å; L865-R867 VanDerWaalsContact C-N 3.28Å; L865-R867 PolarHBondContact O-N 3.48Å; L865-N868 PolarHBondContact O-N 3.07Å; L865-G869 PolarHBondContact O-N 3.46Å; L865-T872 HydrophobicContact CD2-CG2 4.35Å; L865-L876 HydrophobicContact CD2-CD1 4.44Å; L865-L876 HydrophobicContact CD2-CD2 4.22Å; L865-L876 HydrophobicContact CD2-CG 4.03Å; L865-A880 HydrophobicContact CD1-CB 4.06Å; L865-A880 HydrophobicContact CD2-CB 4.31Å; L865-F885 HydrophobicContact CD1-CD1 3.9Å; L865-F885 HydrophobicContact CD1-CE1 3.89Å; L865-I894 HydrophobicContact CB-CG2 4.32Å; L865-I894 HydrophobicContact CD2-CG2 4.23Å |
| 866 | T | 90.3 | Very high | 89 | Confident | 73 Ų | 73 | 59 Ų | 59 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 177.7 | -55.3 | 0 | 0 | 0 | 0 | 112 | Q862 L864 Y893 | Q862-T866 WeakPolarHBondContact O-CB 3.47Å; Q862-T866 PolarHBondContact O-N 3.49Å; Q862-T866 PolarHBondContact O-OG1 2.94Å; L864-T866 VanDerWaalsContact C-N 3.33Å; L864-T866 PolarHBondContact O-N 3.33Å; T866-Y893 WeakPolarHBondContact CA-O 3.43Å |
| 867 | R | 88.7 | Confident | 88.9 | Confident | 197 Ų | 197 | 55.9 Ų | 55.9 | 74% | 0.743 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -72.3 | -40.2 | 179.5 | -168.9 | -173.5 | -51.8 | 175.3 | 5.3 | 112.9 | S863 L864 L865 | S863-R867 WeakPolarHBondContact O-CB 3.35Å; S863-R867 PolarHBondContact O-N 2.91Å; S863-R867 VanDerWaalsContact O-N 3.1Å; L864-R867 PolarHBondContact O-N 3.21Å; L865-R867 VanDerWaalsContact C-N 3.28Å; L865-R867 PolarHBondContact O-N 3.48Å |
| 868 | N | 83.5 | Confident | 88.9 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -78.7 | -27.4 | -179.1 | -75.5 | -7.8 | 0 | 0 | 0 | 112.9 | L864 L865 R871 L876 | L864-N868 PolarHBondContact O-N 3.09Å; L865-N868 PolarHBondContact O-N 3.07Å; N868-R871 PolarHBondContact O-N 3.2Å; N868-L876 HydrophobicContact CB-CD2 4.22Å; N868-L876 WeakPolarHBondContact ND2-CD2 3.14Å |
| 869 | G | 78.2 | Confident | 88.8 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -144 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L865 R871 T872 I894 | L865-G869 PolarHBondContact O-N 3.46Å; G869-R871 PolarHBondContact O-N 2.83Å; G869-R871 VanDerWaalsContact O-N 3.08Å; G869-T872 PolarHBondContact O-OG1 2.83Å; G869-I894 CarbonylContact C-O 3.44Å; G869-I894 WeakPolarHBondContact O-CB 3.24Å |
| 870 | S | 70.8 | Confident | 88.8 | Confident | 96 Ų | 96 | 61.2 Ų | 61.2 | 67% | 0.671 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.7 | -177.3 | 57.1 | 0 | 0 | 0 | 0 | 115 | T872 I894 | S870-T872 PolarHBondContact O-N 2.96Å; S870-T872 VanDerWaalsContact O-N 3.09Å; S870-I894 PolarHBondContact N-O 3.13Å |
| 871 | R | 67.5 | Low | 88.8 | Confident | 225 Ų | 225 | 56.4 Ų | 56.4 | 85% | 0.849 | 30% | 0.298 | S | S | * | . | trans | -84.5 | 47.2 | 175.3 | -66.8 | -176.2 | 177.7 | -178.4 | -0.8 | 112.2 | N868 G869 D873 | N868-R871 PolarHBondContact O-N 3.2Å; G869-R871 PolarHBondContact O-N 2.83Å; G869-R871 VanDerWaalsContact O-N 3.08Å; R871-D873 PolarHBondContact O-N 3.15Å | ||
| 872 | T | 77 | Confident | 88.9 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | trans | -80.7 | 117.8 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 109 | L865 G869 S870 L876 L877 I894 Q904 | L865-T872 HydrophobicContact CD2-CG2 4.35Å; G869-T872 PolarHBondContact O-OG1 2.83Å; S870-T872 PolarHBondContact O-N 2.96Å; S870-T872 VanDerWaalsContact O-N 3.09Å; T872-L876 HydrophobicContact CG2-CB 4.04Å; T872-L876 HydrophobicContact CG2-CD2 4.09Å; T872-L876 HydrophobicContact CG2-CG 3.99Å; T872-L877 HydrophobicContact CG2-CB 3.94Å; T872-L877 HydrophobicContact CG2-CD1 4.45Å; T872-I894 WeakPolarHBondContact OG1-CG2 3.08Å; T872-Q904 PolarHBondContact O-NE2 3.39Å; T872-Q904 VanDerWaalsContact O-NE2 3.13Å | ||
| 873 | D | 87.6 | Confident | 89 | Confident | 95 Ų | 95 | 59.9 Ų | 59.9 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | trans | -77.5 | 167.9 | 174.3 | 65.3 | 21.2 | 0 | 0 | 0 | 111.7 | R871 A875 L876 L877 | R871-D873 PolarHBondContact O-N 3.15Å; D873-A875 PolarHBondContact O-N 3.37Å; D873-A875 PolarHBondContact OD1-N 2.76Å; D873-L876 PolarHBondContact O-N 3.08Å; D873-L876 WeakPolarHBondContact OD1-CB 3.39Å; D873-L876 PolarHBondContact OD1-N 3.19Å; D873-L877 WeakPolarHBondContact O-CB 3.11Å; D873-L877 PolarHBondContact O-N 3Å | ||
| 874 | A | 91.7 | Very high | 89.2 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 34% | 0.339 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -35.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L878 F908 I910 | A874-L878 VanDerWaalsContact O-CB 3.3Å; A874-L878 WeakPolarHBondContact O-CB 3.37Å; A874-L878 PolarHBondContact O-N 3.02Å; A874-F908 HydrophobicContact CB-CB 4.1Å; A874-F908 HydrophobicContact CB-CD1 4.36Å; A874-F908 HydrophobicContact CB-CD2 3.75Å; A874-F908 HydrophobicContact CB-CE2 4.21Å; A874-F908 HydrophobicContact CB-CG 3.83Å; A874-I910 HydrophobicContact CB-CD1 4.38Å; A874-I910 WeakPolarHBondContact O-CD1 3.34Å |
| 875 | A | 90.5 | Very high | 89.4 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -69.1 | -45.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | D873 K879 | D873-A875 PolarHBondContact O-N 3.37Å; D873-A875 PolarHBondContact OD1-N 2.76Å; A875-K879 WeakPolarHBondContact O-CB 3.38Å; A875-K879 PolarHBondContact O-N 3.03Å |
| 876 | L | 93.2 | Very high | 89.6 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 176.4 | -179 | 58.8 | 0 | 0 | 0 | 111.6 | L861 L864 L865 N868 T872 D873 K879 A880 | L861-L876 HydrophobicContact CD1-CD1 3.74Å; L864-L876 HydrophobicContact CD2-CD1 3.64Å; L864-L876 HydrophobicContact CG-CD1 4.15Å; L864-L876 HydrophobicContact CG-CD2 4.42Å; L865-L876 HydrophobicContact CD2-CD1 4.44Å; L865-L876 HydrophobicContact CD2-CD2 4.22Å; L865-L876 HydrophobicContact CD2-CG 4.03Å; N868-L876 HydrophobicContact CB-CD2 4.22Å; N868-L876 WeakPolarHBondContact ND2-CD2 3.14Å; T872-L876 HydrophobicContact CG2-CB 4.04Å; T872-L876 HydrophobicContact CG2-CD2 4.09Å; T872-L876 HydrophobicContact CG2-CG 3.99Å; D873-L876 PolarHBondContact O-N 3.08Å; D873-L876 WeakPolarHBondContact OD1-CB 3.39Å; D873-L876 PolarHBondContact OD1-N 3.19Å; L876-K879 PolarHBondContact O-N 3.3Å; L876-A880 PolarHBondContact O-N 3.29Å |
| 877 | L | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 176.3 | -171.8 | 59.9 | 0 | 0 | 0 | 110.8 | T872 D873 K879 A880 K881 I890 V901 Q904 R905 F908 I910 | T872-L877 HydrophobicContact CG2-CB 3.94Å; T872-L877 HydrophobicContact CG2-CD1 4.45Å; D873-L877 WeakPolarHBondContact O-CB 3.11Å; D873-L877 PolarHBondContact O-N 3Å; L877-K879 VanDerWaalsContact C-N 3.31Å; L877-K879 PolarHBondContact O-N 3.34Å; L877-A880 WeakPolarHBondContact O-CB 3.28Å; L877-A880 PolarHBondContact O-N 3.13Å; L877-K881 WeakPolarHBondContact O-CG 3.39Å; L877-K881 PolarHBondContact O-N 2.94Å; L877-I890 HydrophobicContact CD1-CD1 3.92Å; L877-I890 HydrophobicContact CD1-CG2 4.07Å; L877-V901 HydrophobicContact CD1-CG1 4.26Å; L877-Q904 HydrophobicContact CD2-CG 4.23Å; L877-R905 HydrophobicContact CD2-CB 4.18Å; L877-R905 HydrophobicContact CD2-CG 4.06Å; L877-R905 HydrophobicContact CG-CG 4.43Å; L877-F908 HydrophobicContact CD2-CD2 4.11Å; L877-I910 HydrophobicContact CB-CD1 4.08Å; L877-I910 HydrophobicContact CD2-CD1 4.09Å; L877-I910 HydrophobicContact CG-CD1 4.15Å |
| 878 | L | 95.4 | Very high | 90 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 175.1 | 178.6 | 61.3 | 0 | 0 | 0 | 111.4 | A874 A880 K881 R882 I910 | A874-L878 VanDerWaalsContact O-CB 3.3Å; A874-L878 WeakPolarHBondContact O-CB 3.37Å; A874-L878 PolarHBondContact O-N 3.02Å; L878-A880 PolarHBondContact O-N 2.96Å; L878-K881 PolarHBondContact O-N 3.01Å; L878-R882 HydrophobicContact CD1-CG 4.33Å; L878-R882 HydrophobicContact CG-CG 4.45Å; L878-R882 WeakPolarHBondContact O-CB 3.45Å; L878-R882 WeakPolarHBondContact O-CG 3.34Å; L878-R882 PolarHBondContact O-N 3.16Å; L878-I910 HydrophobicContact CB-CD1 4.12Å; L878-I910 HydrophobicContact CB-CG1 4.45Å; L878-I910 HydrophobicContact CD1-CG2 4Å |
| 879 | K | 94.8 | Very high | 90.5 | Very high | 106 Ų | 106 | 42.9 Ų | 42.9 | 46% | 0.461 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.6 | -43 | 176.4 | -173.9 | 171.3 | -176.6 | 170.2 | 0 | 112.4 | L861 A875 L876 L877 K881 R882 F883 | L861-K879 HydrophobicContact CD2-CG 4.27Å; A875-K879 WeakPolarHBondContact O-CB 3.38Å; A875-K879 PolarHBondContact O-N 3.03Å; L876-K879 PolarHBondContact O-N 3.3Å; L877-K879 VanDerWaalsContact C-N 3.31Å; L877-K879 PolarHBondContact O-N 3.34Å; K879-K881 VanDerWaalsContact C-N 3.34Å; K879-K881 PolarHBondContact O-N 3.35Å; K879-R882 PolarHBondContact O-N 2.92Å; K879-F883 PolarHBondContact O-N 3.23Å; K879-F883 VanDerWaalsContact O-N 3.11Å |
| 880 | A | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L861 L865 L876 L877 L878 F883 G884 F885 I890 | L861-A880 HydrophobicContact CD2-CB 4.46Å; L865-A880 HydrophobicContact CD1-CB 4.06Å; L865-A880 HydrophobicContact CD2-CB 4.31Å; L876-A880 PolarHBondContact O-N 3.29Å; L877-A880 WeakPolarHBondContact O-CB 3.28Å; L877-A880 PolarHBondContact O-N 3.13Å; L878-A880 PolarHBondContact O-N 2.96Å; A880-F883 PolarHBondContact O-N 2.91Å; A880-G884 PolarHBondContact O-N 3.07Å; A880-F885 HydrophobicContact CB-CB 4.2Å; A880-F885 HydrophobicContact CB-CD2 4.46Å; A880-F885 HydrophobicContact CB-CG 4.31Å; A880-F885 WeakPolarHBondContact O-CB 3.18Å; A880-F885 VanDerWaalsContact O-CD2 3.31Å; A880-F885 WeakPolarHBondContact O-CD2 3.37Å; A880-F885 PolarHBondContact O-N 2.94Å; A880-I890 HydrophobicContact CB-CD1 4.06Å; A880-I890 HydrophobicContact CB-CG1 4.24Å |
| 881 | K | 97.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 177 | -60.5 | -55.1 | -62.8 | -175.7 | 0 | 113 | L877 L878 K879 F883 G884 F885 D887 I890 I910 Y935 E1011 | L877-K881 WeakPolarHBondContact O-CG 3.39Å; L877-K881 PolarHBondContact O-N 2.94Å; L878-K881 PolarHBondContact O-N 3.01Å; K879-K881 VanDerWaalsContact C-N 3.34Å; K879-K881 PolarHBondContact O-N 3.35Å; K881-F883 PolarHBondContact O-N 2.79Å; K881-G884 WeakPolarHBondContact O-CA 3.22Å; K881-G884 PolarHBondContact O-N 3.26Å; K881-F885 WeakPolarHBondContact CD-O 3.25Å; K881-F885 WeakPolarHBondContact CE-O 3.18Å; K881-F885 PolarHBondContact NZ-O 3.41Å; K881-D887 IonicContact NZ-OD1 2.84Å; K881-D887 PolarHBondContact NZ-OD1 3.39Å; K881-I890 HydrophobicContact CD-CD1 3.51Å; K881-I890 HydrophobicContact CG-CD1 4.38Å; K881-I910 HydrophobicContact CG-CG2 4.39Å; K881-Y935 HydrophobicContact CB-CD1 3.55Å; K881-Y935 HydrophobicContact CB-CD2 3.67Å; K881-Y935 HydrophobicContact CB-CE1 3.83Å; K881-Y935 HydrophobicContact CB-CE2 3.96Å; K881-Y935 HydrophobicContact CB-CG 3.45Å; K881-Y935 VanDerWaalsContact CB-CG 3.45Å; K881-Y935 VanDerWaalsContact CE-CE2 3.42Å; K881-Y935 VanDerWaalsContact CE-OH 3.22Å; K881-Y935 WeakPolarHBondContact CE-OH 3.39Å; K881-Y935 HydrophobicContact CG-CD1 4.18Å; K881-Y935 HydrophobicContact CG-CE1 4Å; K881-Y935 HydrophobicContact CG-CE2 4.47Å; K881-Y935 HydrophobicContact CG-CG 4.48Å; K881-E1011 IonicContact NZ-OE1 3.62Å; K881-E1011 PolarHBondContact NZ-OE1 3.13Å; K881-E1011 IonicContact NZ-OE2 3.63Å |
| 882 | R | 96.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 30.3 Ų | 30.3 | 21% | 0.211 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.8 | -24.1 | 173.5 | -78.5 | -175.8 | 175.9 | 177.9 | -2.2 | 113.9 | D131 N782 L878 K879 G884 Y935 N936 | D131-R882 IonicContact OD1-CZ 3.78Å; D131-R882 IonicContact OD1-NH1 2.93Å; D131-R882 PolarHBondContact OD1-NH1 3.45Å; D131-R882 IonicContact OD2-CZ 2.8Å; D131-R882 IonicContact OD2-NH1 3.62Å; D131-R882 PolarHBondContact OD2-NH1 2.77Å; N782-R882 PolarHBondContact ND2-O 2.89Å; N782-R882 PolarHBondContact OD1-O 2.78Å; L878-R882 HydrophobicContact CD1-CG 4.33Å; L878-R882 HydrophobicContact CG-CG 4.45Å; L878-R882 WeakPolarHBondContact O-CB 3.45Å; L878-R882 WeakPolarHBondContact O-CG 3.34Å; L878-R882 PolarHBondContact O-N 3.16Å; K879-R882 PolarHBondContact O-N 2.92Å; R882-G884 VanDerWaalsContact C-N 3.32Å; R882-Y935 VanDerWaalsContact CG-O 3.3Å; R882-Y935 WeakPolarHBondContact CG-O 3.36Å; R882-Y935 PolarHBondContact NE-O 3Å; R882-N936 WeakPolarHBondContact CB-OD1 3.36Å; R882-N936 WeakPolarHBondContact CD-OD1 3.12Å; R882-N936 VanDerWaalsContact CG-OD1 3.32Å; R882-N936 WeakPolarHBondContact CG-OD1 3.32Å; R882-N936 PolarHBondContact O-ND2 3.33Å |
| 883 | F | 97 | Very high | 93.9 | Very high | 29 Ų | 29 | 30.7 Ų | 30.7 | 13% | 0.127 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 2.8 | 172.5 | -82.5 | 27.4 | 0 | 0 | 0 | 112.3 | E784 E785 Q788 R857 L861 K879 A880 K881 F885 | E784-F883 CarbonylContact C-O 3.52Å; E784-F883 VanDerWaalsContact C-O 3.28Å; E784-F883 HydrophobicContact CB-CB 4.36Å; E784-F883 HydrophobicContact CB-CD2 4.47Å; E784-F883 HydrophobicContact CB-CG 4.29Å; E784-F883 HydrophobicContact CG-CD2 4.44Å; E785-F883 PolarHBondContact N-O 2.9Å; Q788-F883 PolarHBondContact NE2-O 3Å; R857-F883 HydrophobicContact CB-CE2 4.09Å; L861-F883 HydrophobicContact CB-CD2 4.31Å; L861-F883 HydrophobicContact CD2-CB 3.91Å; L861-F883 HydrophobicContact CD2-CD2 3.39Å; L861-F883 HydrophobicContact CD2-CE2 4.04Å; L861-F883 HydrophobicContact CD2-CG 3.73Å; L861-F883 HydrophobicContact CG-CD2 4.5Å; K879-F883 PolarHBondContact O-N 3.23Å; K879-F883 VanDerWaalsContact O-N 3.11Å; A880-F883 PolarHBondContact O-N 2.91Å; K881-F883 PolarHBondContact O-N 2.79Å; F883-F885 HydrophobicContact CB-CD2 3.97Å; F883-F885 HydrophobicContact CB-CE2 4.07Å |
| 884 | G | 96.9 | Very high | 94 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 18.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R792 A880 K881 R882 S886 | R792-G884 VanDerWaalsContact CZ-O 3.32Å; R792-G884 PolarHBondContact NH1-O 2.86Å; R792-G884 PolarHBondContact NH2-O 3.34Å; A880-G884 PolarHBondContact O-N 3.07Å; K881-G884 WeakPolarHBondContact O-CA 3.22Å; K881-G884 PolarHBondContact O-N 3.26Å; R882-G884 VanDerWaalsContact C-N 3.32Å; G884-S886 PolarHBondContact O-N 2.92Å |
| 885 | F | 97.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | trans | -68.6 | 129 | 174.1 | -76.1 | -113.4 | 0 | 0 | 0 | 110.9 | I858 L861 Q862 L865 A880 K881 F883 Q889 I890 Y893 | I858-F885 HydrophobicContact CG2-CE2 3.96Å; I858-F885 HydrophobicContact CG2-CZ 3.8Å; L861-F885 HydrophobicContact CB-CE2 4.33Å; L861-F885 HydrophobicContact CB-CZ 4.31Å; L861-F885 HydrophobicContact CD2-CD2 4.32Å; L861-F885 HydrophobicContact CD2-CE2 3.88Å; L861-F885 HydrophobicContact CG-CE2 4.2Å; L861-F885 HydrophobicContact CG-CZ 4.38Å; Q862-F885 HydrophobicContact CB-CE1 4.22Å; Q862-F885 HydrophobicContact CB-CZ 4.25Å; L865-F885 HydrophobicContact CD1-CD1 3.9Å; L865-F885 HydrophobicContact CD1-CE1 3.89Å; A880-F885 HydrophobicContact CB-CB 4.2Å; A880-F885 HydrophobicContact CB-CD2 4.46Å; A880-F885 HydrophobicContact CB-CG 4.31Å; A880-F885 WeakPolarHBondContact O-CB 3.18Å; A880-F885 VanDerWaalsContact O-CD2 3.31Å; A880-F885 WeakPolarHBondContact O-CD2 3.37Å; A880-F885 PolarHBondContact O-N 2.94Å; K881-F885 WeakPolarHBondContact CD-O 3.25Å; K881-F885 WeakPolarHBondContact CE-O 3.18Å; K881-F885 PolarHBondContact NZ-O 3.41Å; F883-F885 HydrophobicContact CB-CD2 3.97Å; F883-F885 HydrophobicContact CB-CE2 4.07Å; F885-Q889 HydrophobicContact CD1-CB 4.41Å; F885-Q889 VanDerWaalsContact CD1-CD 3.42Å; F885-Q889 HydrophobicContact CD1-CG 3.78Å; F885-Q889 HydrophobicContact CE1-CG 4.28Å; F885-I890 HydrophobicContact CB-CD1 4.05Å; F885-I890 HydrophobicContact CB-CG1 3.79Å; F885-Y893 HydrophobicContact CE1-CD2 4.18Å; F885-Y893 HydrophobicContact CE1-CE2 4.06Å | ||
| 886 | S | 95.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.028 | 13% | 0.13 | C | C | . | . | trans | -73.4 | 159.2 | 172.7 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | G884 K888 Q889 I890 E1011 | G884-S886 PolarHBondContact O-N 2.92Å; S886-K888 PolarHBondContact O-N 3.15Å; S886-Q889 PolarHBondContact O-N 3.4Å; S886-Q889 VanDerWaalsContact O-N 3.09Å; S886-Q889 VanDerWaalsContact OG-CB 3.28Å; S886-Q889 WeakPolarHBondContact OG-CB 3.5Å; S886-Q889 PolarHBondContact OG-N 2.91Å; S886-Q889 VanDerWaalsContact OG-N 3.09Å; S886-I890 WeakPolarHBondContact O-CG1 3.43Å; S886-I890 PolarHBondContact O-N 3.17Å; S886-E1011 WeakPolarHBondContact CA-OE2 3.18Å; S886-E1011 WeakPolarHBondContact CB-OE2 3.36Å | ||
| 887 | D | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -34.8 | 176.3 | -69.8 | -8.5 | 0 | 0 | 0 | 110.3 | K881 A891 E898 V901 R905 E1011 | K881-D887 IonicContact NZ-OD1 2.84Å; K881-D887 PolarHBondContact NZ-OD1 3.39Å; D887-A891 WeakPolarHBondContact O-CB 3.37Å; D887-A891 PolarHBondContact O-N 3.11Å; D887-E898 HydrophobicContact CB-CG 4.04Å; D887-V901 HydrophobicContact CB-CB 4.29Å; D887-V901 HydrophobicContact CB-CG1 4.03Å; D887-R905 IonicContact OD1-CZ 3.89Å; D887-R905 IonicContact OD1-NE 3.77Å; D887-R905 PolarHBondContact OD1-NE 2.88Å; D887-R905 IonicContact OD1-NH2 3.07Å; D887-R905 IonicContact OD2-CZ 3.27Å; D887-R905 IonicContact OD2-NE 2.74Å; D887-R905 PolarHBondContact OD2-NE 3.38Å; D887-R905 IonicContact OD2-NH2 2.6Å; D887-R905 PolarHBondContact OD2-NH2 3.27Å; D887-E1011 HydrophobicContact CB-CG 4.43Å; D887-E1011 WeakPolarHBondContact CB-OE2 3.5Å; D887-E1011 PolarHBondContact N-OE2 2.84Å |
| 888 | K | 91.9 | Very high | 92.4 | Very high | 80 Ų | 80 | 30.1 Ų | 30.1 | 35% | 0.348 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 170.9 | -69.9 | -177.5 | -178.7 | 173.7 | 0 | 112.9 | L799 S886 A891 K892 E898 | L799-K888 HydrophobicContact CD2-CB 3.81Å; L799-K888 HydrophobicContact CD2-CD 4.18Å; S886-K888 PolarHBondContact O-N 3.15Å; K888-A891 WeakPolarHBondContact O-CB 3.39Å; K888-A891 PolarHBondContact O-N 3.04Å; K888-K892 PolarHBondContact O-N 3.02Å; K888-E898 WeakPolarHBondContact CE-OE1 3.45Å; K888-E898 WeakPolarHBondContact CE-OE2 3.44Å; K888-E898 HydrophobicContact CG-CB 3.93Å; K888-E898 HydrophobicContact CG-CG 3.76Å; K888-E898 WeakPolarHBondContact CG-OE2 3.2Å |
| 889 | Q | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.9 | -42.1 | -179.5 | -168.2 | -177.1 | 11.4 | 0 | 0 | 111.4 | L799 F885 S886 K892 Y893 | L799-Q889 HydrophobicContact CB-CB 4.11Å; L799-Q889 HydrophobicContact CB-CG 4.23Å; L799-Q889 PolarHBondContact O-OE1 3.34Å; L799-Q889 VanDerWaalsContact O-OE1 3.12Å; F885-Q889 HydrophobicContact CD1-CB 4.41Å; F885-Q889 VanDerWaalsContact CD1-CD 3.42Å; F885-Q889 HydrophobicContact CD1-CG 3.78Å; F885-Q889 HydrophobicContact CE1-CG 4.28Å; S886-Q889 PolarHBondContact O-N 3.4Å; S886-Q889 VanDerWaalsContact O-N 3.09Å; S886-Q889 VanDerWaalsContact OG-CB 3.28Å; S886-Q889 WeakPolarHBondContact OG-CB 3.5Å; S886-Q889 PolarHBondContact OG-N 2.91Å; S886-Q889 VanDerWaalsContact OG-N 3.09Å; Q889-K892 WeakPolarHBondContact O-CB 3.35Å; Q889-K892 PolarHBondContact O-N 3.43Å; Q889-Y893 HydrophobicContact CG-CD2 4.19Å; Q889-Y893 HydrophobicContact CG-CE2 3.6Å; Q889-Y893 WeakPolarHBondContact O-CD2 3.39Å; Q889-Y893 PolarHBondContact O-N 2.99Å |
| 890 | I | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 173.5 | -66.8 | 163.7 | 0 | 0 | 0 | 109.4 | L877 A880 K881 F885 S886 K892 Y893 I894 V901 | L877-I890 HydrophobicContact CD1-CD1 3.92Å; L877-I890 HydrophobicContact CD1-CG2 4.07Å; A880-I890 HydrophobicContact CB-CD1 4.06Å; A880-I890 HydrophobicContact CB-CG1 4.24Å; K881-I890 HydrophobicContact CD-CD1 3.51Å; K881-I890 HydrophobicContact CG-CD1 4.38Å; F885-I890 HydrophobicContact CB-CD1 4.05Å; F885-I890 HydrophobicContact CB-CG1 3.79Å; S886-I890 WeakPolarHBondContact O-CG1 3.43Å; S886-I890 PolarHBondContact O-N 3.17Å; I890-K892 VanDerWaalsContact C-N 3.28Å; I890-K892 PolarHBondContact O-N 3.37Å; I890-Y893 PolarHBondContact O-N 3.18Å; I890-I894 HydrophobicContact CG2-CD1 3.98Å; I890-I894 HydrophobicContact CG2-CG1 4.24Å; I890-I894 HydrophobicContact CG2-CG2 4.08Å; I890-I894 WeakPolarHBondContact O-CG1 2.87Å; I890-I894 PolarHBondContact O-N 2.72Å; I890-V901 HydrophobicContact CB-CG1 4.09Å; I890-V901 HydrophobicContact CB-CG2 4.4Å; I890-V901 HydrophobicContact CD1-CG1 4.32Å; I890-V901 HydrophobicContact CG2-CG1 3.85Å; I890-V901 HydrophobicContact CG2-CG2 3.93Å |
| 891 | A | 90.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -53.8 | -43.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D887 K888 Y893 K895 S896 T897 V901 | D887-A891 WeakPolarHBondContact O-CB 3.37Å; D887-A891 PolarHBondContact O-N 3.11Å; K888-A891 WeakPolarHBondContact O-CB 3.39Å; K888-A891 PolarHBondContact O-N 3.04Å; A891-Y893 PolarHBondContact O-N 3.36Å; A891-K895 WeakPolarHBondContact O-CA 3.31Å; A891-K895 PolarHBondContact O-N 2.82Å; A891-S896 PolarHBondContact O-N 2.94Å; A891-T897 VanDerWaalsContact CB-C 3.46Å; A891-V901 HydrophobicContact CB-CG2 3.89Å |
| 892 | K | 88.8 | Confident | 90.9 | Very high | 69 Ų | 69 | 24.2 Ų | 24.2 | 30% | 0.3 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -55.2 | -49.7 | 174.4 | 179.8 | -175.9 | 175.5 | -165.4 | 0 | 112 | L799 D802 D804 K888 Q889 I890 | L799-K892 HydrophobicContact CD1-CB 4.45Å; L799-K892 HydrophobicContact CD1-CD 3.9Å; D802-K892 IonicContact OD1-NZ 2.81Å; D802-K892 PolarHBondContact OD1-NZ 3.18Å; D802-K892 IonicContact OD2-NZ 3.2Å; D802-K892 PolarHBondContact OD2-NZ 3.35Å; D804-K892 WeakPolarHBondContact OD2-CE 3.44Å; D804-K892 IonicContact OD2-NZ 2.81Å; D804-K892 PolarHBondContact OD2-NZ 3.46Å; K888-K892 PolarHBondContact O-N 3.02Å; Q889-K892 WeakPolarHBondContact O-CB 3.35Å; Q889-K892 PolarHBondContact O-N 3.43Å; I890-K892 VanDerWaalsContact C-N 3.28Å; I890-K892 PolarHBondContact O-N 3.37Å |
| 893 | Y | 90.2 | Very high | 90.6 | Very high | 13 Ų | 13 | 25 Ų | 25 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -79.8 | -34.2 | -174.1 | -61.4 | -48.3 | 0 | 0 | 0 | 114 | D802 Q862 T866 F885 Q889 I890 A891 K895 | D802-Y893 PolarHBondContact OD1-OH 3.36Å; Q862-Y893 HydrophobicContact CB-CD2 4.39Å; Q862-Y893 HydrophobicContact CB-CE2 4.14Å; Q862-Y893 VanDerWaalsContact CD-CE1 3.5Å; Q862-Y893 HydrophobicContact CG-CD1 3.91Å; Q862-Y893 HydrophobicContact CG-CD2 3.9Å; Q862-Y893 HydrophobicContact CG-CE1 3.66Å; Q862-Y893 HydrophobicContact CG-CE2 3.58Å; Q862-Y893 HydrophobicContact CG-CG 4.07Å; Q862-Y893 VanDerWaalsContact NE2-CE1 3.25Å; Q862-Y893 VanDerWaalsContact NE2-CZ 3.31Å; Q862-Y893 PolarHBondContact NE2-OH 3Å; Q862-Y893 VanDerWaalsContact NE2-OH 3.15Å; Q862-Y893 PolarHBondContact OE1-OH 3.27Å; T866-Y893 WeakPolarHBondContact CA-O 3.43Å; F885-Y893 HydrophobicContact CE1-CD2 4.18Å; F885-Y893 HydrophobicContact CE1-CE2 4.06Å; Q889-Y893 HydrophobicContact CG-CD2 4.19Å; Q889-Y893 HydrophobicContact CG-CE2 3.6Å; Q889-Y893 WeakPolarHBondContact O-CD2 3.39Å; Q889-Y893 PolarHBondContact O-N 2.99Å; I890-Y893 PolarHBondContact O-N 3.18Å; A891-Y893 PolarHBondContact O-N 3.36Å; Y893-K895 VanDerWaalsContact C-N 3.29Å |
| 894 | I | 89.5 | Confident | 90.2 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -86.3 | -2.1 | 177.9 | 75.4 | 168.1 | 0 | 0 | 0 | 113.5 | L865 G869 S870 T872 I890 V901 | L865-I894 HydrophobicContact CB-CG2 4.32Å; L865-I894 HydrophobicContact CD2-CG2 4.23Å; G869-I894 CarbonylContact C-O 3.44Å; G869-I894 WeakPolarHBondContact O-CB 3.24Å; S870-I894 PolarHBondContact N-O 3.13Å; T872-I894 WeakPolarHBondContact OG1-CG2 3.08Å; I890-I894 HydrophobicContact CG2-CD1 3.98Å; I890-I894 HydrophobicContact CG2-CG1 4.24Å; I890-I894 HydrophobicContact CG2-CG2 4.08Å; I890-I894 WeakPolarHBondContact O-CG1 2.87Å; I890-I894 PolarHBondContact O-N 2.72Å; I894-V901 HydrophobicContact CD1-CG2 3.85Å; I894-V901 HydrophobicContact CG1-CG2 4.49Å |
| 895 | K | 83 | Confident | 90.1 | Very high | 131 Ų | 131 | 25.2 Ų | 25.2 | 57% | 0.57 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 46.9 | -177.5 | -58.1 | -176.3 | -178.4 | 172.6 | 0 | 114.2 | A891 Y893 M2168 | A891-K895 WeakPolarHBondContact O-CA 3.31Å; A891-K895 PolarHBondContact O-N 2.82Å; Y893-K895 VanDerWaalsContact C-N 3.29Å; K895-M2168 WeakPolarHBondContact CA-SD 3.34Å; K895-M2168 HydrophobicContact CB-CE 3.3Å; K895-M2168 HydrophobicContact CB-SD 4.16Å; K895-M2168 HydrophobicContact CD-CE 4.46Å; K895-M2168 HydrophobicContact CG-CE 3.75Å |
| 896 | S | 84 | Confident | 89.8 | Confident | 22 Ų | 22 | 27.5 Ų | 27.5 | 15% | 0.154 | 13% | 0.132 | C | C | . | . | trans | -125.7 | -168.2 | -178.4 | -164.8 | 0 | 0 | 0 | 0 | 112.3 | A891 A900 M2168 | A891-S896 PolarHBondContact O-N 2.94Å; S896-A900 WeakPolarHBondContact OG-CB 3.5Å; S896-M2168 PolarHBondContact N-SD 3Å | ||
| 897 | T | 82.1 | Confident | 89.5 | Confident | 18 Ų | 18 | 35 Ų | 35 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | trans | -111.7 | 155.2 | 172.6 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | A891 L899 A900 V901 | A891-T897 VanDerWaalsContact CB-C 3.46Å; T897-L899 VanDerWaalsContact C-N 3.29Å; T897-L899 PolarHBondContact O-N 2.93Å; T897-A900 PolarHBondContact O-N 2.94Å; T897-A900 VanDerWaalsContact O-N 3.16Å; T897-A900 VanDerWaalsContact OG1-CB 3.32Å; T897-A900 WeakPolarHBondContact OG1-CB 3.38Å; T897-A900 PolarHBondContact OG1-N 3.32Å; T897-V901 PolarHBondContact O-N 2.72Å | ||
| 898 | E | 87.8 | Confident | 89.4 | Confident | 35 Ų | 35 | 39.3 Ų | 39.3 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -51.5 | -46.5 | 178.9 | 177.9 | 179.4 | -159.7 | 0 | 0 | 112.3 | D887 K888 V901 R902 | D887-E898 HydrophobicContact CB-CG 4.04Å; K888-E898 WeakPolarHBondContact CE-OE1 3.45Å; K888-E898 WeakPolarHBondContact CE-OE2 3.44Å; K888-E898 HydrophobicContact CG-CB 3.93Å; K888-E898 HydrophobicContact CG-CG 3.76Å; K888-E898 WeakPolarHBondContact CG-OE2 3.2Å; E898-V901 PolarHBondContact O-N 2.79Å; E898-R902 PolarHBondContact O-N 2.87Å |
| 899 | L | 87.2 | Confident | 89.5 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.2 | -33.1 | -178.7 | -70.5 | 166.4 | 0 | 0 | 0 | 112.9 | T897 R902 H903 F1010 Q1044 S2192 | T897-L899 VanDerWaalsContact C-N 3.29Å; T897-L899 PolarHBondContact O-N 2.93Å; L899-R902 PolarHBondContact O-N 2.86Å; L899-H903 WeakPolarHBondContact O-CB 3.49Å; L899-H903 PolarHBondContact O-CD2 3.4Å; L899-H903 PolarHBondContact O-N 3.27Å; L899-F1010 HydrophobicContact CD2-CE1 3.47Å; L899-F1010 VanDerWaalsContact CD2-CE1 3.47Å; L899-F1010 HydrophobicContact CD2-CZ 3.61Å; L899-F1010 HydrophobicContact CG-CE1 4.38Å; L899-Q1044 HydrophobicContact CD2-CG 4.49Å; L899-S2192 WeakPolarHBondContact CD1-O 3.42Å |
| 900 | A | 83.9 | Confident | 89.5 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S896 T897 H903 Q904 | S896-A900 WeakPolarHBondContact OG-CB 3.5Å; T897-A900 PolarHBondContact O-N 2.94Å; T897-A900 VanDerWaalsContact O-N 3.16Å; T897-A900 VanDerWaalsContact OG1-CB 3.32Å; T897-A900 WeakPolarHBondContact OG1-CB 3.38Å; T897-A900 PolarHBondContact OG1-N 3.32Å; A900-H903 PolarHBondContact O-N 3.31Å; A900-Q904 WeakPolarHBondContact O-CB 3.34Å; A900-Q904 PolarHBondContact O-N 3.23Å |
| 901 | V | 90.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 172.3 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | L877 D887 I890 A891 I894 T897 E898 H903 Q904 R905 | L877-V901 HydrophobicContact CD1-CG1 4.26Å; D887-V901 HydrophobicContact CB-CB 4.29Å; D887-V901 HydrophobicContact CB-CG1 4.03Å; I890-V901 HydrophobicContact CB-CG1 4.09Å; I890-V901 HydrophobicContact CB-CG2 4.4Å; I890-V901 HydrophobicContact CD1-CG1 4.32Å; I890-V901 HydrophobicContact CG2-CG1 3.85Å; I890-V901 HydrophobicContact CG2-CG2 3.93Å; A891-V901 HydrophobicContact CB-CG2 3.89Å; I894-V901 HydrophobicContact CD1-CG2 3.85Å; I894-V901 HydrophobicContact CG1-CG2 4.49Å; T897-V901 PolarHBondContact O-N 2.72Å; E898-V901 PolarHBondContact O-N 2.79Å; V901-H903 PolarHBondContact O-N 3Å; V901-Q904 PolarHBondContact O-N 3.29Å; V901-R905 WeakPolarHBondContact O-CB 3.5Å; V901-R905 PolarHBondContact O-N 3.36Å |
| 902 | R | 92 | Very high | 89.8 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.9 | -49.8 | 176 | -178.8 | -178.5 | -176.4 | 69.5 | 7.4 | 112.2 | E898 L899 R905 Q906 D1015 E1018 | E898-R902 PolarHBondContact O-N 2.87Å; L899-R902 PolarHBondContact O-N 2.86Å; R902-R905 VanDerWaalsContact O-CB 3.3Å; R902-R905 WeakPolarHBondContact O-CB 3.45Å; R902-R905 PolarHBondContact O-N 3.4Å; R902-Q906 WeakPolarHBondContact O-CG 3.32Å; R902-Q906 PolarHBondContact O-N 3.36Å; R902-D1015 IonicContact CZ-OD1 3.38Å; R902-D1015 IonicContact NH1-OD1 2.85Å; R902-D1015 PolarHBondContact NH1-OD1 3.34Å; R902-D1015 IonicContact NH1-OD2 3.28Å; R902-D1015 IonicContact NH2-OD1 3.82Å; R902-D1015 PolarHBondContact NH2-OD1 2.93Å; R902-E1018 IonicContact CZ-OE1 3.46Å; R902-E1018 IonicContact NE-OE1 3.67Å; R902-E1018 IonicContact NH2-OE1 2.87Å; R902-E1018 PolarHBondContact NH2-OE1 2.99Å; R902-E1018 IonicContact NH2-OE2 3.84Å; R902-E1018 PolarHBondContact NH2-OE2 2.82Å |
| 903 | H | 88.9 | Confident | 90.2 | Very high | 73 Ų | 73 | 42.5 Ų | 42.5 | 34% | 0.338 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 178.2 | -81.6 | -64.7 | 0 | 0 | 0 | 112 | L899 A900 V901 R905 Q906 E907 S2192 | L899-H903 WeakPolarHBondContact O-CB 3.49Å; L899-H903 PolarHBondContact O-CD2 3.4Å; L899-H903 PolarHBondContact O-N 3.27Å; A900-H903 PolarHBondContact O-N 3.31Å; V901-H903 PolarHBondContact O-N 3Å; H903-R905 VanDerWaalsContact C-N 3.26Å; H903-R905 PolarHBondContact O-N 3.24Å; H903-Q906 PolarHBondContact O-N 3.09Å; H903-E907 WeakPolarHBondContact O-CG 3.4Å; H903-E907 PolarHBondContact O-N 2.96Å; H903-S2192 WeakPolarHBondContact CD2-CB 3.36Å; H903-S2192 VanDerWaalsContact NE2-CB 3.25Å; H903-S2192 WeakPolarHBondContact NE2-CB 3.13Å |
| 904 | Q | 89.8 | Confident | 90.5 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -41.1 | 175.7 | -174.3 | 179.3 | 21.2 | 0 | 0 | 111.6 | T872 L877 A900 V901 E907 F908 | T872-Q904 PolarHBondContact O-NE2 3.39Å; T872-Q904 VanDerWaalsContact O-NE2 3.13Å; L877-Q904 HydrophobicContact CD2-CG 4.23Å; A900-Q904 WeakPolarHBondContact O-CB 3.34Å; A900-Q904 PolarHBondContact O-N 3.23Å; V901-Q904 PolarHBondContact O-N 3.29Å; Q904-E907 PolarHBondContact O-N 2.84Å; Q904-F908 HydrophobicContact CG-CD2 4Å; Q904-F908 HydrophobicContact CG-CE2 3.58Å; Q904-F908 HydrophobicContact CG-CZ 4.13Å; Q904-F908 WeakPolarHBondContact O-CD2 3.24Å; Q904-F908 WeakPolarHBondContact O-CG 3.34Å; Q904-F908 PolarHBondContact O-N 3.27Å |
| 905 | R | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 176.4 | -143.7 | 169.9 | 39 | 79.6 | -16.2 | 111.1 | L877 D887 V901 R902 H903 F908 G909 I910 Y935 D1015 | L877-R905 HydrophobicContact CD2-CB 4.18Å; L877-R905 HydrophobicContact CD2-CG 4.06Å; L877-R905 HydrophobicContact CG-CG 4.43Å; D887-R905 IonicContact OD1-CZ 3.89Å; D887-R905 IonicContact OD1-NE 3.77Å; D887-R905 PolarHBondContact OD1-NE 2.88Å; D887-R905 IonicContact OD1-NH2 3.07Å; D887-R905 IonicContact OD2-CZ 3.27Å; D887-R905 IonicContact OD2-NE 2.74Å; D887-R905 PolarHBondContact OD2-NE 3.38Å; D887-R905 IonicContact OD2-NH2 2.6Å; D887-R905 PolarHBondContact OD2-NH2 3.27Å; V901-R905 WeakPolarHBondContact O-CB 3.5Å; V901-R905 PolarHBondContact O-N 3.36Å; R902-R905 VanDerWaalsContact O-CB 3.3Å; R902-R905 WeakPolarHBondContact O-CB 3.45Å; R902-R905 PolarHBondContact O-N 3.4Å; H903-R905 VanDerWaalsContact C-N 3.26Å; H903-R905 PolarHBondContact O-N 3.24Å; R905-F908 CarbonylContact O-C 3.43Å; R905-F908 PolarHBondContact O-N 2.95Å; R905-G909 PolarHBondContact O-N 2.92Å; R905-G909 VanDerWaalsContact O-N 3.13Å; R905-I910 HydrophobicContact CG-CB 3.57Å; R905-I910 HydrophobicContact CG-CG2 3.52Å; R905-I910 WeakPolarHBondContact CG-O 3.34Å; R905-I910 PolarHBondContact NH1-O 2.9Å; R905-I910 PolarHBondContact O-N 3.08Å; R905-Y935 VanDerWaalsContact CZ-OH 3.22Å; R905-Y935 PolarHBondContact NH1-OH 2.89Å; R905-D1015 IonicContact NH1-OD2 3.48Å; R905-D1015 IonicContact NH2-OD2 2.73Å; R905-D1015 PolarHBondContact NH2-OD2 3.16Å |
| 906 | Q | 91.1 | Very high | 91.2 | Very high | 50 Ų | 50 | 36 Ų | 36 | 23% | 0.234 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 176 | -70.8 | 176.4 | -21.4 | 0 | 0 | 112.6 | R902 H903 F908 G909 E1018 | R902-Q906 WeakPolarHBondContact O-CG 3.32Å; R902-Q906 PolarHBondContact O-N 3.36Å; H903-Q906 PolarHBondContact O-N 3.09Å; Q906-F908 VanDerWaalsContact C-N 3.29Å; Q906-F908 PolarHBondContact O-N 3.14Å; Q906-G909 PolarHBondContact O-N 3.04Å; Q906-E1018 PolarHBondContact NE2-OE2 3.01Å |
| 907 | E | 90.2 | Very high | 91.5 | Very high | 162 Ų | 162 | 35 Ų | 35 | 76% | 0.757 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -61.7 | -37.3 | 175.4 | -75.4 | -177.8 | 172.2 | 0 | 0 | 112.2 | H903 Q904 G909 | H903-E907 WeakPolarHBondContact O-CG 3.4Å; H903-E907 PolarHBondContact O-N 2.96Å; Q904-E907 PolarHBondContact O-N 2.84Å; E907-G909 VanDerWaalsContact C-N 3.27Å; E907-G909 PolarHBondContact O-N 3.15Å |
| 908 | F | 93.7 | Very high | 91.8 | Very high | 91 Ų | 91 | 34.3 Ų | 34.3 | 40% | 0.399 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -0.3 | 174.3 | -64.4 | -25.8 | 0 | 0 | 0 | 114.1 | A874 L877 Q904 R905 Q906 I910 | A874-F908 HydrophobicContact CB-CB 4.1Å; A874-F908 HydrophobicContact CB-CD1 4.36Å; A874-F908 HydrophobicContact CB-CD2 3.75Å; A874-F908 HydrophobicContact CB-CE2 4.21Å; A874-F908 HydrophobicContact CB-CG 3.83Å; L877-F908 HydrophobicContact CD2-CD2 4.11Å; Q904-F908 HydrophobicContact CG-CD2 4Å; Q904-F908 HydrophobicContact CG-CE2 3.58Å; Q904-F908 HydrophobicContact CG-CZ 4.13Å; Q904-F908 WeakPolarHBondContact O-CD2 3.24Å; Q904-F908 WeakPolarHBondContact O-CG 3.34Å; Q904-F908 PolarHBondContact O-N 3.27Å; R905-F908 CarbonylContact O-C 3.43Å; R905-F908 PolarHBondContact O-N 2.95Å; Q906-F908 VanDerWaalsContact C-N 3.29Å; Q906-F908 PolarHBondContact O-N 3.14Å; F908-I910 HydrophobicContact CB-CD1 3.82Å; F908-I910 HydrophobicContact CB-CG1 4.01Å; F908-I910 HydrophobicContact CD2-CD1 4.28Å; F908-I910 PolarHBondContact O-N 2.64Å |
| 909 | G | 93.2 | Very high | 91.6 | Very high | 57 Ų | 57 | 32.6 Ų | 32.6 | 59% | 0.588 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 18.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R905 Q906 E907 R911 | R905-G909 PolarHBondContact O-N 2.92Å; R905-G909 VanDerWaalsContact O-N 3.13Å; Q906-G909 PolarHBondContact O-N 3.04Å; E907-G909 VanDerWaalsContact C-N 3.27Å; E907-G909 PolarHBondContact O-N 3.15Å; G909-R911 PolarHBondContact O-N 3.06Å |
| 910 | I | 95.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | trans | -82.9 | 99.2 | 178.8 | -61.6 | 166.1 | 0 | 0 | 0 | 108.1 | A874 L877 L878 K881 R905 F908 Y935 | A874-I910 HydrophobicContact CB-CD1 4.38Å; A874-I910 WeakPolarHBondContact O-CD1 3.34Å; L877-I910 HydrophobicContact CB-CD1 4.08Å; L877-I910 HydrophobicContact CD2-CD1 4.09Å; L877-I910 HydrophobicContact CG-CD1 4.15Å; L878-I910 HydrophobicContact CB-CD1 4.12Å; L878-I910 HydrophobicContact CB-CG1 4.45Å; L878-I910 HydrophobicContact CD1-CG2 4Å; K881-I910 HydrophobicContact CG-CG2 4.39Å; R905-I910 HydrophobicContact CG-CB 3.57Å; R905-I910 HydrophobicContact CG-CG2 3.52Å; R905-I910 WeakPolarHBondContact CG-O 3.34Å; R905-I910 PolarHBondContact NH1-O 2.9Å; R905-I910 PolarHBondContact O-N 3.08Å; F908-I910 HydrophobicContact CB-CD1 3.82Å; F908-I910 HydrophobicContact CB-CG1 4.01Å; F908-I910 HydrophobicContact CD2-CD1 4.28Å; F908-I910 PolarHBondContact O-N 2.64Å; I910-Y935 HydrophobicContact CG2-CD1 3.97Å; I910-Y935 HydrophobicContact CG2-CE1 3.91Å | ||
| 911 | R | 95.2 | Very high | 91.8 | Very high | 106 Ų | 106 | 32.6 Ų | 32.6 | 40% | 0.4 | 16% | 0.164 | S | C | . | . | trans | -123.3 | 150.3 | 176 | -68.4 | -173.5 | 177.8 | -106.1 | 0.9 | 109.8 | G909 E1018 | G909-R911 PolarHBondContact O-N 3.06Å; R911-E1018 IonicContact NH1-OE2 3.25Å; R911-E1018 PolarHBondContact NH1-OE2 3.06Å; R911-E1018 VanDerWaalsContact NH1-OE2 3.07Å | ||
| 912 | P | 96.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 146.8 | 172.9 | 28.8 | -32.2 | 0 | 0 | 0 | 109.8 | H933 Y935 H940 D1015 M1019 | P912-H933 HydrophobicContact CB-CB 3.91Å; P912-Y935 HydrophobicContact CB-CD2 4.42Å; P912-Y935 HydrophobicContact CB-CE1 4.24Å; P912-Y935 HydrophobicContact CB-CE2 3.95Å; P912-H940 PolarHBondContact O-CE1 3.21Å; P912-D1015 HydrophobicContact CG-CB 4.25Å; P912-M1019 HydrophobicContact CG-CE 4.2Å; P912-M1019 WeakPolarHBondContact O-CE 3.23Å |
| 913 | H | 97 | Very high | 90.9 | Very high | 42 Ų | 42 | 33.4 Ų | 33.4 | 19% | 0.194 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 148.9 | 169.2 | -68.3 | -71.4 | 0 | 0 | 0 | 110.1 | H933 T934 G937 H940 | H913-H933 CarbonylContact O-C 3.56Å; H913-H933 WeakPolarHBondContact O-CA 3.46Å; H913-T934 PolarHBondContact N-O 3.35Å; H913-T934 PolarHBondContact O-N 2.64Å; H913-G937 VanDerWaalsContact CD2-C 3.43Å; H913-G937 PolarHBondContact CD2-O 2.83Å; H913-G937 PolarHBondContact NE2-O 3.32Å; H913-H940 AromaticContact ND1-CD2 3.81Å; H913-H940 AromaticContact ND1-CE1 3.87Å; H913-H940 AromaticContact ND1-NE2 3.55Å |
| 914 | V | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117 | 179.2 | 180 | 0 | 0 | 0 | 0 | 107.4 | L931 H940 D941 V942 F944 Y1004 M1019 | V914-L931 HydrophobicContact CG1-CB 3.86Å; V914-L931 HydrophobicContact CG1-CD1 4.02Å; V914-L931 HydrophobicContact CG1-CD2 4.02Å; V914-L931 HydrophobicContact CG1-CG 4.17Å; V914-H940 PolarHBondContact N-ND1 3.39Å; V914-H940 CarbonylContact O-C 3.49Å; V914-H940 WeakPolarHBondContact O-CA 3.31Å; V914-D941 PolarHBondContact O-N 3.47Å; V914-V942 HydrophobicContact CB-CG2 4.26Å; V914-V942 HydrophobicContact CG1-CG2 3.79Å; V914-F944 HydrophobicContact CB-CZ 4.09Å; V914-F944 HydrophobicContact CG2-CE1 4.08Å; V914-F944 HydrophobicContact CG2-CZ 3.75Å; V914-Y1004 HydrophobicContact CG1-CE1 4Å; V914-Y1004 HydrophobicContact CG2-CE1 3.98Å; V914-M1019 HydrophobicContact CG2-CE 4.14Å; V914-M1019 HydrophobicContact CG2-SD 3.34Å; V914-M1019 WeakPolarHBondContact CG2-SD 3.21Å |
| 915 | K | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.3 | 177.5 | -62.9 | -59.2 | -168 | -178.7 | 0 | 109.6 | D133 R135 L931 Y932 T934 E939 D941 | D133-K915 IonicContact OD1-NZ 2.69Å; D133-K915 IonicContact OD2-NZ 3.52Å; D133-K915 PolarHBondContact OD2-NZ 3.25Å; R135-K915 HydrophobicContact CG-CD 4.43Å; K915-L931 WeakPolarHBondContact O-CA 3.44Å; K915-Y932 HydrophobicContact CB-CD1 4.16Å; K915-Y932 HydrophobicContact CB-CE1 3.56Å; K915-Y932 HydrophobicContact CB-CE2 3.97Å; K915-Y932 VanDerWaalsContact CB-CZ 3.45Å; K915-Y932 HydrophobicContact CG-CE2 4.45Å; K915-Y932 PolarHBondContact N-O 3.01Å; K915-Y932 WeakPolarHBondContact O-CD1 3.35Å; K915-Y932 PolarHBondContact O-N 3.36Å; K915-T934 HydrophobicContact CB-CG2 4.48Å; K915-T934 HydrophobicContact CG-CG2 3.54Å; K915-E939 WeakPolarHBondContact CE-O 3.31Å; K915-E939 PolarHBondContact NZ-O 2.64Å; K915-D941 WeakPolarHBondContact CA-OD2 3.31Å |
| 916 | Q | 92.1 | Very high | 88.6 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141 | -178.9 | -172.6 | -177 | -1.9 | 0 | 0 | 110 | R135 D918 A926 T928 Y930 L931 D941 | R135-Q916 PolarHBondContact NH1-O 3.26Å; R135-Q916 PolarHBondContact NH2-O 3.06Å; R135-Q916 VanDerWaalsContact NH2-O 3.09Å; Q916-D918 PolarHBondContact O-N 3.18Å; Q916-A926 HydrophobicContact CG-CB 4.36Å; Q916-A926 PolarHBondContact NE2-O 3.06Å; Q916-A926 PolarHBondContact OE1-O 2.98Å; Q916-T928 VanDerWaalsContact CG-OG1 3.27Å; Q916-T928 WeakPolarHBondContact CG-OG1 3.25Å; Q916-T928 PolarHBondContact NE2-O 2.91Å; Q916-T928 PolarHBondContact NE2-OG1 3.38Å; Q916-Y930 WeakPolarHBondContact CA-O 3.21Å; Q916-L931 HydrophobicContact CB-CD2 4.1Å; Q916-L931 HydrophobicContact CG-CD2 4.19Å; Q916-D941 HydrophobicContact CB-CB 3.94Å; Q916-D941 PolarHBondContact N-OD2 3.28Å |
| 917 | I | 90.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -65.4 | 120 | 173.9 | -65.2 | -63.8 | 0 | 0 | 0 | 109.3 | Y746 I779 T928 Y930 Y932 | Y746-I917 HydrophobicContact CD1-CD1 4.36Å; Y746-I917 HydrophobicContact CD2-CD1 4.14Å; Y746-I917 HydrophobicContact CE1-CD1 3.85Å; Y746-I917 HydrophobicContact CE2-CD1 3.54Å; Y746-I917 WeakPolarHBondContact OH-CG2 3.46Å; I779-I917 HydrophobicContact CD1-CD1 3.61Å; I779-I917 HydrophobicContact CD1-CG1 4.34Å; I779-I917 HydrophobicContact CG2-CD1 4.27Å; I917-T928 WeakPolarHBondContact O-CG2 3.44Å; I917-T928 PolarHBondContact O-OG1 3.27Å; I917-Y930 HydrophobicContact CB-CD2 4.39Å; I917-Y930 HydrophobicContact CG1-CD2 4.38Å; I917-Y930 HydrophobicContact CG2-CD2 4.38Å; I917-Y930 PolarHBondContact N-O 3.06Å; I917-Y932 HydrophobicContact CD1-CD1 3.92Å; I917-Y932 HydrophobicContact CD1-CE1 4.01Å | ||
| 918 | D | 87.2 | Confident | 87.2 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | trans | -107.9 | 128.9 | 175.9 | -178.3 | -19.8 | 0 | 0 | 0 | 108.2 | R135 Y746 Q916 V920 A921 G922 E923 | R135-D918 VanDerWaalsContact NH2-CB 3.28Å; Y746-D918 PolarHBondContact OH-O 2.74Å; Q916-D918 PolarHBondContact O-N 3.18Å; D918-V920 PolarHBondContact OD1-N 3.09Å; D918-A921 PolarHBondContact OD1-N 3.04Å; D918-A921 VanDerWaalsContact OD1-N 3.15Å; D918-G922 WeakPolarHBondContact OD2-CA 3.25Å; D918-G922 PolarHBondContact OD2-N 3Å; D918-E923 WeakPolarHBondContact OD1-CB 3.29Å; D918-E923 PolarHBondContact OD1-N 3.27Å; D918-E923 PolarHBondContact OD2-N 3.43Å | ||
| 919 | T | 84.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -79.9 | -20.3 | -173.4 | -35.1 | 0 | 0 | 0 | 0 | 112.4 | T708 F740 P742 S743 | T708-T919 WeakPolarHBondContact O-CG2 3.3Å; F740-T919 HydrophobicContact CE2-CG2 3.62Å; F740-T919 HydrophobicContact CZ-CG2 3.41Å; F740-T919 VanDerWaalsContact CZ-CG2 3.41Å; P742-T919 CarbonylContact C-O 3.6Å; P742-T919 WeakPolarHBondContact CA-O 3.44Å; P742-T919 HydrophobicContact CB-CG2 4.06Å; P742-T919 VanDerWaalsContact CB-O 3.27Å; P742-T919 WeakPolarHBondContact CB-O 3.42Å; P742-T919 HydrophobicContact CG-CG2 3.98Å; S743-T919 PolarHBondContact N-O 3.5Å; S743-T919 CarbonylContact O-C 3.58Å |
| 920 | V | 86.2 | Confident | 86.7 | Confident | 29 Ų | 29 | 23.5 Ų | 23.5 | 18% | 0.176 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -124.1 | 10.9 | -179.3 | -51.4 | 0 | 0 | 0 | 0 | 113.4 | T42 F740 S743 D918 G922 E923 | T42-V920 WeakPolarHBondContact CB-O 3.42Å; T42-V920 WeakPolarHBondContact CG2-O 3.37Å; F740-V920 HydrophobicContact CD2-CG1 3.76Å; F740-V920 HydrophobicContact CE2-CG1 3.47Å; F740-V920 VanDerWaalsContact CE2-CG1 3.47Å; F740-V920 HydrophobicContact CZ-CG1 4.33Å; S743-V920 CarbonylContact O-C 3.53Å; D918-V920 PolarHBondContact OD1-N 3.09Å; V920-G922 PolarHBondContact O-N 3.37Å; V920-E923 HydrophobicContact CG2-CB 3.39Å; V920-E923 VanDerWaalsContact CG2-N 3.34Å |
| 921 | A | 88.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 58.4 | 23.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T64 S743 D745 D918 | T64-A921 WeakPolarHBondContact CB-O 3.18Å; T64-A921 VanDerWaalsContact CG2-O 3.29Å; T64-A921 WeakPolarHBondContact CG2-O 3.39Å; T64-A921 WeakPolarHBondContact OG1-CB 3.29Å; S743-A921 WeakPolarHBondContact O-CB 3.42Å; S743-A921 PolarHBondContact O-N 3.09Å; D745-A921 HydrophobicContact CB-CB 3.78Å; D918-A921 PolarHBondContact OD1-N 3.04Å; D918-A921 VanDerWaalsContact OD1-N 3.15Å |
| 922 | G | 85.1 | Confident | 86.8 | Confident | 4 Ų | 4 | 18 Ų | 18 | 4% | 0.041 | 11% | 0.106 | C | C | . | . | trans | -176 | 14.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R142 D918 V920 W924 | R142-G922 WeakPolarHBondContact CD-O 3.43Å; R142-G922 WeakPolarHBondContact CG-O 3.23Å; R142-G922 VanDerWaalsContact CZ-O 3.23Å; R142-G922 PolarHBondContact NE-O 2.67Å; D918-G922 WeakPolarHBondContact OD2-CA 3.25Å; D918-G922 PolarHBondContact OD2-N 3Å; V920-G922 PolarHBondContact O-N 3.37Å; G922-W924 PolarHBondContact O-N 3.35Å | ||
| 923 | E | 79.2 | Confident | 86.8 | Confident | 20 Ų | 20 | 18.2 Ų | 18.2 | 9% | 0.093 | 11% | 0.107 | C | C | . | . | trans | -83.3 | 92.4 | 176.1 | 178 | 169.3 | -147.2 | 0 | 0 | 108.9 | T733 T736 D918 V920 P925 A926 | T733-E923 WeakPolarHBondContact CB-OE1 3.32Å; T733-E923 WeakPolarHBondContact CG2-OE1 3.13Å; T733-E923 WeakPolarHBondContact CG2-OE2 3.45Å; T736-E923 WeakPolarHBondContact CG2-OE1 3.38Å; T736-E923 PolarHBondContact OG1-OE1 2.78Å; D918-E923 WeakPolarHBondContact OD1-CB 3.29Å; D918-E923 PolarHBondContact OD1-N 3.27Å; D918-E923 PolarHBondContact OD2-N 3.43Å; V920-E923 HydrophobicContact CG2-CB 3.39Å; V920-E923 VanDerWaalsContact CG2-N 3.34Å; E923-P925 CarbonylContact O-C 3.58Å; E923-A926 WeakPolarHBondContact O-CA 3.12Å; E923-A926 WeakPolarHBondContact O-CB 3.23Å; E923-A926 PolarHBondContact O-N 2.79Å; E923-A926 VanDerWaalsContact O-N 3.14Å | ||
| 924 | W | 79 | Confident | 86.8 | Confident | 38 Ų | 38 | 16.2 Ų | 16.2 | 14% | 0.144 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -118 | 132.3 | 177.5 | -159.3 | -106 | 0 | 0 | 0 | 112.9 | K139 R142 E143 G922 A926 D941 | K139-W924 HydrophobicContact CB-CG 4.36Å; K139-W924 HydrophobicContact CD-CD2 4.07Å; K139-W924 HydrophobicContact CD-CE3 4.16Å; K139-W924 HydrophobicContact CD-CH2 4.3Å; K139-W924 HydrophobicContact CD-CZ2 4.2Å; K139-W924 HydrophobicContact CD-CZ3 4.27Å; K139-W924 VanDerWaalsContact CE-CE2 3.41Å; K139-W924 HydrophobicContact CG-CB 4.46Å; K139-W924 HydrophobicContact CG-CD2 3.67Å; K139-W924 HydrophobicContact CG-CE3 3.98Å; K139-W924 HydrophobicContact CG-CG 3.86Å; R142-W924 HydrophobicContact CB-CB 4.2Å; R142-W924 HydrophobicContact CG-CB 4.4Å; R142-W924 PolarHBondContact NH2-O 3.02Å; E143-W924 PolarHBondContact OE1-NE1 2.73Å; G922-W924 PolarHBondContact O-N 3.35Å; W924-A926 HydrophobicContact CE3-CB 4.26Å; W924-A926 HydrophobicContact CZ3-CB 4.19Å; W924-D941 HydrophobicContact CH2-CB 3.79Å; W924-D941 WeakPolarHBondContact CH2-O 3.38Å; W924-D941 HydrophobicContact CZ3-CB 4.24Å |
| 925 | P | 73.8 | Confident | 86.7 | Confident | 98 Ų | 98 | 17.2 Ų | 17.2 | 64% | 0.636 | 10% | 0.102 | S | C | * | . | S | Bend | cis | -70.1 | 137.1 | -5 | 29.9 | -34.5 | 0 | 0 | 0 | 112.7 | E923 | E923-P925 CarbonylContact O-C 3.58Š|
| 926 | A | 69.9 | Low | 86.7 | Confident | 11 Ų | 11 | 18.6 Ų | 18.6 | 9% | 0.091 | 11% | 0.109 | C | C | . | . | trans | -77.6 | 138.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q916 E923 W924 | Q916-A926 HydrophobicContact CG-CB 4.36Å; Q916-A926 PolarHBondContact NE2-O 3.06Å; Q916-A926 PolarHBondContact OE1-O 2.98Å; E923-A926 WeakPolarHBondContact O-CA 3.12Å; E923-A926 WeakPolarHBondContact O-CB 3.23Å; E923-A926 PolarHBondContact O-N 2.79Å; E923-A926 VanDerWaalsContact O-N 3.14Å; W924-A926 HydrophobicContact CE3-CB 4.26Å; W924-A926 HydrophobicContact CZ3-CB 4.19Å | ||
| 927 | S | 73 | Confident | 86.7 | Confident | 80 Ų | 80 | 18.5 Ų | 18.5 | 56% | 0.559 | 11% | 0.112 | S | C | * | . | trans | -102.8 | 12.3 | -179.4 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | V732 | V732-S927 CarbonylContact O-C 3.4Å; V732-S927 WeakPolarHBondContact O-CB 3.16Å | ||
| 928 | T | 79.3 | Confident | 86.8 | Confident | 10 Ų | 10 | 21.9 Ų | 21.9 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | trans | -78 | 143.9 | -176.4 | 83.7 | 0 | 0 | 0 | 0 | 111.1 | V732 Q916 I917 Y930 | V732-T928 HydrophobicContact CG1-CG2 3.2Å; Q916-T928 VanDerWaalsContact CG-OG1 3.27Å; Q916-T928 WeakPolarHBondContact CG-OG1 3.25Å; Q916-T928 PolarHBondContact NE2-O 2.91Å; Q916-T928 PolarHBondContact NE2-OG1 3.38Å; I917-T928 WeakPolarHBondContact O-CG2 3.44Å; I917-T928 PolarHBondContact O-OG1 3.27Å; T928-Y930 VanDerWaalsContact C-N 3.3Å | ||
| 929 | N | 86.2 | Confident | 87.2 | Confident | 21 Ų | 21 | 25.6 Ų | 25.6 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | trans | -89.3 | 4.1 | 175.5 | 69.3 | -26.5 | 0 | 0 | 0 | 113 | Y997 C1000 D1001 L1003 | N929-Y997 PolarHBondContact ND2-O 3.23Å; N929-Y997 VanDerWaalsContact OD1-CA 3.27Å; N929-Y997 WeakPolarHBondContact OD1-CA 3.42Å; N929-Y997 PolarHBondContact OD1-O 3.3Å; N929-C1000 PolarHBondContact ND2-O 2.88Å; N929-D1001 WeakPolarHBondContact CB-O 3.29Å; N929-L1003 PolarHBondContact O-N 3.02Å | ||
| 930 | Y | 90.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 118.9 | -176 | -67.1 | -6.5 | 0 | 0 | 0 | 110.7 | K706 Q916 I917 T928 T995 Y997 L1003 F1005 | K706-Y930 HydrophobicContact CD-CE2 4.49Å; Q916-Y930 WeakPolarHBondContact CA-O 3.21Å; I917-Y930 HydrophobicContact CB-CD2 4.39Å; I917-Y930 HydrophobicContact CG1-CD2 4.38Å; I917-Y930 HydrophobicContact CG2-CD2 4.38Å; I917-Y930 PolarHBondContact N-O 3.06Å; T928-Y930 VanDerWaalsContact C-N 3.3Å; Y930-T995 PolarHBondContact OH-O 2.99Å; Y930-Y997 PolarHBondContact OH-N 2.92Å; Y930-L1003 HydrophobicContact CD1-CB 4.14Å; Y930-L1003 HydrophobicContact CD1-CD2 3.57Å; Y930-L1003 HydrophobicContact CD1-CG 4.38Å; Y930-L1003 HydrophobicContact CE1-CD2 3.52Å; Y930-F1005 HydrophobicContact CD1-CE2 4.4Å; Y930-F1005 HydrophobicContact CD2-CE2 4.47Å; Y930-F1005 HydrophobicContact CE1-CE2 4.38Å; Y930-F1005 HydrophobicContact CG-CD2 4.48Å; Y930-F1005 HydrophobicContact CG-CE2 4.43Å |
| 931 | L | 95.6 | Very high | 88 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144.7 | -174.9 | -54.3 | 177.9 | 0 | 0 | 0 | 109.9 | V914 K915 Q916 V942 R1002 L1003 Y1004 F1005 | V914-L931 HydrophobicContact CG1-CB 3.86Å; V914-L931 HydrophobicContact CG1-CD1 4.02Å; V914-L931 HydrophobicContact CG1-CD2 4.02Å; V914-L931 HydrophobicContact CG1-CG 4.17Å; K915-L931 WeakPolarHBondContact O-CA 3.44Å; Q916-L931 HydrophobicContact CB-CD2 4.1Å; Q916-L931 HydrophobicContact CG-CD2 4.19Å; L931-V942 HydrophobicContact CD1-CG2 4.39Å; L931-V942 HydrophobicContact CD2-CG1 3.8Å; L931-V942 HydrophobicContact CD2-CG2 4.44Å; L931-R1002 HydrophobicContact CD1-CB 3.95Å; L931-R1002 HydrophobicContact CD1-CG 4.05Å; L931-L1003 WeakPolarHBondContact CB-O 3.37Å; L931-L1003 PolarHBondContact N-O 3.02Å; L931-Y1004 HydrophobicContact CB-CD1 4.12Å; L931-Y1004 HydrophobicContact CB-CE1 4.17Å; L931-Y1004 HydrophobicContact CB-CG 4.37Å; L931-Y1004 HydrophobicContact CD1-CD2 4.34Å; L931-Y1004 HydrophobicContact CD1-CE1 4.26Å; L931-Y1004 HydrophobicContact CD1-CE2 3.78Å; L931-Y1004 WeakPolarHBondContact O-CA 3.43Å; L931-F1005 PolarHBondContact O-N 2.77Å |
| 932 | Y | 97 | Very high | 88.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 154.3 | 169.8 | 69.1 | -83.2 | 0 | 0 | 0 | 110.4 | Y746 I779 R781 K915 I917 T934 | Y746-Y932 HydrophobicContact CD1-CE1 4.42Å; I779-Y932 HydrophobicContact CB-CD1 4.36Å; I779-Y932 HydrophobicContact CB-CD2 4.1Å; I779-Y932 HydrophobicContact CB-CG 3.91Å; I779-Y932 HydrophobicContact CG2-CD1 3.8Å; I779-Y932 HydrophobicContact CG2-CD2 3.83Å; I779-Y932 HydrophobicContact CG2-CE1 3.95Å; I779-Y932 HydrophobicContact CG2-CE2 3.99Å; I779-Y932 HydrophobicContact CG2-CG 3.73Å; R781-Y932 WeakPolarHBondContact CD-OH 3.45Å; R781-Y932 HydrophobicContact CG-CE2 4.41Å; K915-Y932 HydrophobicContact CB-CD1 4.16Å; K915-Y932 HydrophobicContact CB-CE1 3.56Å; K915-Y932 HydrophobicContact CB-CE2 3.97Å; K915-Y932 VanDerWaalsContact CB-CZ 3.45Å; K915-Y932 HydrophobicContact CG-CE2 4.45Å; K915-Y932 PolarHBondContact N-O 3.01Å; K915-Y932 WeakPolarHBondContact O-CD1 3.35Å; K915-Y932 PolarHBondContact O-N 3.36Å; I917-Y932 HydrophobicContact CD1-CD1 3.92Å; I917-Y932 HydrophobicContact CD1-CE1 4.01Å; Y932-T934 HydrophobicContact CE2-CG2 4.02Å |
| 933 | H | 95.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 142.8 | 175.2 | -80.7 | -170.8 | 0 | 0 | 0 | 110.4 | K789 P912 H913 Y1004 E1006 I1016 | K789-H933 PolarHBondContact NZ-O 3.46Å; P912-H933 HydrophobicContact CB-CB 3.91Å; H913-H933 CarbonylContact O-C 3.56Å; H913-H933 WeakPolarHBondContact O-CA 3.46Å; H933-Y1004 AromaticContact CD2-CE1 3.9Å; H933-Y1004 AromaticContact NE2-CD1 3.95Å; H933-Y1004 AromaticContact NE2-CE1 3.56Å; H933-E1006 WeakPolarHBondContact CA-OE1 3.39Å; H933-E1006 HydrophobicContact CB-CG 4.18Å; H933-E1006 WeakPolarHBondContact CB-OE1 3.43Å; H933-E1006 PolarHBondContact N-OE1 3.28Å; H933-I1016 WeakPolarHBondContact CE1-CG1 3.48Å |
| 934 | T | 96.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 148.5 | 166.6 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | R781 E785 H913 K915 Y932 N936 | R781-T934 HydrophobicContact CG-CG2 3.97Å; E785-T934 VanDerWaalsContact CD-OG1 3.26Å; E785-T934 WeakPolarHBondContact OE1-CA 3.32Å; E785-T934 WeakPolarHBondContact OE1-CB 3.45Å; E785-T934 PolarHBondContact OE1-OG1 3.18Å; E785-T934 PolarHBondContact OE2-OG1 3.28Å; H913-T934 PolarHBondContact N-O 3.35Å; H913-T934 PolarHBondContact O-N 2.64Å; K915-T934 HydrophobicContact CB-CG2 4.48Å; K915-T934 HydrophobicContact CG-CG2 3.54Å; Y932-T934 HydrophobicContact CE2-CG2 4.02Å; T934-N936 VanDerWaalsContact C-N 3.34Å; T934-N936 WeakPolarHBondContact OG1-CB 3.49Å; T934-N936 PolarHBondContact OG1-N 2.77Å |
| 935 | Y | 96.4 | Very high | 89.9 | Confident | 20 Ų | 20 | 40.4 Ų | 40.4 | 8% | 0.078 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -91.8 | -2.5 | 170.5 | -67 | -94.2 | 0 | 0 | 0 | 112.4 | K881 R882 R905 I910 P912 G937 | K881-Y935 HydrophobicContact CB-CD1 3.55Å; K881-Y935 HydrophobicContact CB-CD2 3.67Å; K881-Y935 HydrophobicContact CB-CE1 3.83Å; K881-Y935 HydrophobicContact CB-CE2 3.96Å; K881-Y935 HydrophobicContact CB-CG 3.45Å; K881-Y935 VanDerWaalsContact CB-CG 3.45Å; K881-Y935 VanDerWaalsContact CE-CE2 3.42Å; K881-Y935 VanDerWaalsContact CE-OH 3.22Å; K881-Y935 WeakPolarHBondContact CE-OH 3.39Å; K881-Y935 HydrophobicContact CG-CD1 4.18Å; K881-Y935 HydrophobicContact CG-CE1 4Å; K881-Y935 HydrophobicContact CG-CE2 4.47Å; K881-Y935 HydrophobicContact CG-CG 4.48Å; R882-Y935 VanDerWaalsContact CG-O 3.3Å; R882-Y935 WeakPolarHBondContact CG-O 3.36Å; R882-Y935 PolarHBondContact NE-O 3Å; R905-Y935 VanDerWaalsContact CZ-OH 3.22Å; R905-Y935 PolarHBondContact NH1-OH 2.89Å; I910-Y935 HydrophobicContact CG2-CD1 3.97Å; I910-Y935 HydrophobicContact CG2-CE1 3.91Å; P912-Y935 HydrophobicContact CB-CD2 4.42Å; P912-Y935 HydrophobicContact CB-CE1 4.24Å; P912-Y935 HydrophobicContact CB-CE2 3.95Å; Y935-G937 VanDerWaalsContact C-N 3.27Å; Y935-G937 PolarHBondContact O-N 2.93Å |
| 936 | N | 94.6 | Very high | 90.7 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 16% | 0.16 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -93.9 | 48.2 | 175.7 | -65 | -66.6 | 0 | 0 | 0 | 110.6 | R781 N782 E785 R882 T934 | R781-N936 HydrophobicContact CB-CB 3.57Å; R781-N936 HydrophobicContact CG-CB 4.07Å; N782-N936 PolarHBondContact ND2-ND2 2.87Å; E785-N936 PolarHBondContact OE2-ND2 2.75Å; R882-N936 WeakPolarHBondContact CB-OD1 3.36Å; R882-N936 WeakPolarHBondContact CD-OD1 3.12Å; R882-N936 VanDerWaalsContact CG-OD1 3.32Å; R882-N936 WeakPolarHBondContact CG-OD1 3.32Å; R882-N936 PolarHBondContact O-ND2 3.33Å; T934-N936 VanDerWaalsContact C-N 3.34Å; T934-N936 WeakPolarHBondContact OG1-CB 3.49Å; T934-N936 PolarHBondContact OG1-N 2.77Å |
| 937 | G | 92.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | trans | -146.5 | 164.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | D133 H913 Y935 | D133-G937 WeakPolarHBondContact OD2-CA 3.23Å; H913-G937 VanDerWaalsContact CD2-C 3.43Å; H913-G937 PolarHBondContact CD2-O 2.83Å; H913-G937 PolarHBondContact NE2-O 3.32Å; Y935-G937 VanDerWaalsContact C-N 3.27Å; Y935-G937 PolarHBondContact O-N 2.93Å | ||
| 938 | S | 92.5 | Very high | 92.6 | Very high | 72 Ų | 72 | 34.1 Ų | 34.1 | 50% | 0.503 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -113.5 | -13.5 | 176 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | D133 | D133-S938 PolarHBondContact OD2-N 3.24Å; D133-S938 PolarHBondContact OD2-OG 2.95Å |
| 939 | E | 94.3 | Very high | 93.5 | Very high | 79 Ų | 79 | 33.6 Ų | 33.6 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -152.4 | 161 | -178.4 | 59.4 | 174.6 | -142.7 | 0 | 0 | 111.7 | A136 K139 K915 | A136-E939 HydrophobicContact CB-CG 4.06Å; K139-E939 WeakPolarHBondContact CE-OE1 3.33Å; K139-E939 IonicContact NZ-OE1 3.16Å; K139-E939 PolarHBondContact NZ-OE1 3.44Å; K915-E939 WeakPolarHBondContact CE-O 3.31Å; K915-E939 PolarHBondContact NZ-O 2.64Å |
| 940 | H | 95.3 | Very high | 94.1 | Very high | 65 Ų | 65 | 32.6 Ų | 32.6 | 30% | 0.301 | 19% | 0.189 | S | C | . | . | trans | -82.4 | 147.5 | 172.7 | -56.8 | -91.3 | 0 | 0 | 0 | 110.6 | P912 H913 V914 F944 M1019 | P912-H940 PolarHBondContact O-CE1 3.21Å; H913-H940 AromaticContact ND1-CD2 3.81Å; H913-H940 AromaticContact ND1-CE1 3.87Å; H913-H940 AromaticContact ND1-NE2 3.55Å; V914-H940 PolarHBondContact N-ND1 3.39Å; V914-H940 CarbonylContact O-C 3.49Å; V914-H940 WeakPolarHBondContact O-CA 3.31Å; H940-F944 HydrophobicContact CB-CE2 3.9Å; H940-F944 HydrophobicContact CB-CZ 4.19Å; H940-F944 AromaticContact CG-CE2 3.61Å; H940-F944 AromaticContact CG-CZ 3.92Å; H940-F944 AromaticContact ND1-CE2 3.66Å; H940-F944 AromaticContact ND1-CZ 3.57Å; H940-M1019 PolarHBondContact CE1-SD 3.25Å | ||
| 941 | D | 93.5 | Very high | 94.4 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -84.8 | -14 | 173.4 | -75.6 | -12.6 | 0 | 0 | 0 | 112.5 | R135 K139 V914 K915 Q916 W924 | R135-D941 IonicContact CZ-OD2 3.92Å; R135-D941 IonicContact NH1-OD2 3.14Å; R135-D941 PolarHBondContact NH1-OD2 3.14Å; K139-D941 WeakPolarHBondContact CD-OD1 3.35Å; K139-D941 IonicContact NZ-OD1 3.15Å; K139-D941 PolarHBondContact NZ-OD1 3.28Å; V914-D941 PolarHBondContact O-N 3.47Å; K915-D941 WeakPolarHBondContact CA-OD2 3.31Å; Q916-D941 HydrophobicContact CB-CB 3.94Å; Q916-D941 PolarHBondContact N-OD2 3.28Å; W924-D941 HydrophobicContact CH2-CB 3.79Å; W924-D941 WeakPolarHBondContact CH2-O 3.38Å; W924-D941 HydrophobicContact CZ3-CB 4.24Å |
| 942 | V | 92.6 | Very high | 94.5 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 16% | 0.158 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -128.6 | 153.1 | -178.3 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | V914 L931 F944 | V914-V942 HydrophobicContact CB-CG2 4.26Å; V914-V942 HydrophobicContact CG1-CG2 3.79Å; L931-V942 HydrophobicContact CD1-CG2 4.39Å; L931-V942 HydrophobicContact CD2-CG1 3.8Å; L931-V942 HydrophobicContact CD2-CG2 4.44Å; V942-F944 HydrophobicContact CG2-CE1 4.08Å; V942-F944 HydrophobicContact CG2-CZ 3.99Å; V942-F944 WeakPolarHBondContact O-CE2 3.48Å |
| 943 | D | 92.4 | Very high | 94.5 | Very high | 138 Ų | 138 | 32.3 Ų | 32.3 | 74% | 0.738 | 19% | 0.187 | S | C | * | . | trans | -82.1 | 164.8 | 170.5 | -64.9 | -45.2 | 0 | 0 | 0 | 111.7 | P945 R1002 | D943-P945 WeakPolarHBondContact O-CD 3.4Å; D943-R1002 PolarHBondContact O-NH1 3.38Å; D943-R1002 PolarHBondContact O-NH2 3.18Å | ||
| 944 | F | 95 | Very high | 94.3 | Very high | 59 Ų | 59 | 32 Ų | 32 | 26% | 0.259 | 19% | 0.186 | S | C | . | . | trans | -124.1 | 80 | -179.4 | -57 | -80 | 0 | 0 | 0 | 111.4 | V914 H940 V942 G946 M1019 E1020 | V914-F944 HydrophobicContact CB-CZ 4.09Å; V914-F944 HydrophobicContact CG2-CE1 4.08Å; V914-F944 HydrophobicContact CG2-CZ 3.75Å; H940-F944 HydrophobicContact CB-CE2 3.9Å; H940-F944 HydrophobicContact CB-CZ 4.19Å; H940-F944 AromaticContact CG-CE2 3.61Å; H940-F944 AromaticContact CG-CZ 3.92Å; H940-F944 AromaticContact ND1-CE2 3.66Å; H940-F944 AromaticContact ND1-CZ 3.57Å; V942-F944 HydrophobicContact CG2-CE1 4.08Å; V942-F944 HydrophobicContact CG2-CZ 3.99Å; V942-F944 WeakPolarHBondContact O-CE2 3.48Å; F944-G946 VanDerWaalsContact C-N 3.28Å; F944-G946 PolarHBondContact O-N 2.99Å; F944-M1019 WeakPolarHBondContact CB-O 3.31Å; F944-M1019 HydrophobicContact CD1-CG 3.93Å; F944-M1019 HydrophobicContact CD1-SD 4.48Å; F944-M1019 HydrophobicContact CD2-CG 4.24Å; F944-M1019 HydrophobicContact CE1-CG 3.66Å; F944-M1019 HydrophobicContact CE1-SD 3.62Å; F944-M1019 HydrophobicContact CE2-CG 3.99Å; F944-M1019 HydrophobicContact CE2-SD 3.98Å; F944-M1019 HydrophobicContact CG-CG 4.22Å; F944-M1019 WeakPolarHBondContact CG-O 3.46Å; F944-M1019 HydrophobicContact CZ-CG 3.7Å; F944-M1019 HydrophobicContact CZ-SD 3.33Å; F944-M1019 WeakPolarHBondContact CZ-SD 2.98Å; F944-E1020 HydrophobicContact CD1-CG 4.15Å; F944-E1020 HydrophobicContact CE1-CG 4.47Å | ||
| 945 | P | 90.7 | Very high | 94.2 | Very high | 102 Ų | 102 | 32 Ų | 32 | 66% | 0.662 | 19% | 0.186 | S | C | * | . | trans | -74 | -12.8 | -175 | 29.5 | -35.5 | 0 | 0 | 0 | 114.5 | D943 | D943-P945 WeakPolarHBondContact O-CD 3.4Š| ||
| 946 | G | 90.8 | Very high | 94.1 | Very high | 14 Ų | 14 | 31 Ų | 31 | 14% | 0.144 | 18% | 0.182 | C | C | . | . | trans | 80.5 | 179.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | F944 H948 E1020 | F944-G946 VanDerWaalsContact C-N 3.28Å; F944-G946 PolarHBondContact O-N 2.99Å; G946-H948 PolarHBondContact O-N 3.49Å; G946-H948 PolarHBondContact O-ND1 2.85Å; G946-E1020 WeakPolarHBondContact CA-O 3.46Å | ||
| 947 | G | 88.3 | Confident | 94 | Very high | 27 Ų | 27 | 29.8 Ų | 29.8 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | trans | 84.8 | 1.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 948 | H | 95.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -80.6 | 148.6 | 177 | -63.4 | 86.7 | 0 | 0 | 0 | 111.8 | G946 P982 I984 E1020 S1022 E1023 | G946-H948 PolarHBondContact O-N 3.49Å; G946-H948 PolarHBondContact O-ND1 2.85Å; H948-P982 WeakPolarHBondContact CA-O 3.28Å; H948-P982 WeakPolarHBondContact CD2-CB 3.05Å; H948-I984 HydrophobicContact CB-CD1 3.32Å; H948-I984 HydrophobicContact CB-CG1 3.68Å; H948-E1020 IonicContact ND1-OE2 2.68Å; H948-S1022 CarbonylContact O-C 3.59Å; H948-S1022 WeakPolarHBondContact O-CA 3.38Å; H948-S1022 WeakPolarHBondContact O-CB 3.49Å; H948-E1023 PolarHBondContact O-N 3.04Å |
| 949 | T | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123.9 | 167.7 | -58.3 | 0 | 0 | 0 | 0 | 109.4 | L976 P982 I984 I1026 L1049 | T949-L976 HydrophobicContact CG2-CD1 4.09Å; T949-P982 PolarHBondContact N-O 3.08Å; T949-I984 PolarHBondContact O-N 2.76Å; T949-I1026 HydrophobicContact CG2-CD1 3.85Å; T949-I1026 HydrophobicContact CG2-CG1 4.13Å; T949-L1049 HydrophobicContact CG2-CD1 3.84Å |
| 950 | I | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.3 | 177.3 | -64.3 | 172.9 | 0 | 0 | 0 | 109.2 | V952 I984 I986 I1016 Y1017 S1022 G1024 I1025 I1026 | I950-V952 HydrophobicContact CG2-CG2 4Å; I950-I984 CarbonylContact C-O 3.51Å; I950-I984 WeakPolarHBondContact CA-O 3.47Å; I950-I984 HydrophobicContact CG1-CB 3.93Å; I950-I984 HydrophobicContact CG1-CD1 3.97Å; I950-I984 HydrophobicContact CG1-CG2 4.02Å; I950-I986 HydrophobicContact CG2-CD1 3.66Å; I950-I986 HydrophobicContact CG2-CG1 4.07Å; I950-I1016 HydrophobicContact CD1-CG2 4.2Å; I950-Y1017 HydrophobicContact CD1-CD2 4.27Å; I950-S1022 WeakPolarHBondContact CD1-OG 3.47Å; I950-S1022 WeakPolarHBondContact CG1-OG 3.37Å; I950-G1024 PolarHBondContact N-O 3.5Å; I950-I1025 HydrophobicContact CB-CG1 4.35Å; I950-I1025 HydrophobicContact CB-CG2 4.37Å; I950-I1025 HydrophobicContact CD1-CG1 4.35Å; I950-I1025 HydrophobicContact CG2-CG2 4.11Å; I950-I1025 CarbonylContact O-C 3.57Å; I950-I1026 PolarHBondContact O-N 3.08Å |
| 951 | V | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.4 | 165 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | A969 L973 L976 I984 M985 I986 I1026 M1029 | V951-A969 HydrophobicContact CG1-CB 4.34Å; V951-L973 HydrophobicContact CB-CD2 4.07Å; V951-L973 HydrophobicContact CG2-CD2 3.82Å; V951-L973 HydrophobicContact CG2-CG 4.41Å; V951-L976 HydrophobicContact CG2-CD1 3.76Å; V951-I984 PolarHBondContact N-O 2.8Å; V951-M985 HydrophobicContact CB-SD 4.2Å; V951-M985 HydrophobicContact CG1-SD 4.19Å; V951-M985 WeakPolarHBondContact O-CA 3.39Å; V951-I986 PolarHBondContact O-N 3.44Å; V951-I986 VanDerWaalsContact O-N 3.12Å; V951-I1026 HydrophobicContact CG2-CB 4.48Å; V951-I1026 HydrophobicContact CG2-CD1 4.39Å; V951-M1029 HydrophobicContact CG1-CB 4.48Å |
| 952 | V | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.9 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | I950 I1008 I1025 I1026 L1027 P1034 | I950-V952 HydrophobicContact CG2-CG2 4Å; V952-I1008 HydrophobicContact CG1-CB 4.38Å; V952-I1008 HydrophobicContact CG1-CD1 3.97Å; V952-I1008 HydrophobicContact CG1-CG1 3.92Å; V952-I1008 HydrophobicContact CG1-CG2 3.53Å; V952-I1025 HydrophobicContact CG2-CG2 3.67Å; V952-I1026 PolarHBondContact N-O 3.28Å; V952-I1026 VanDerWaalsContact N-O 3.13Å; V952-L1027 HydrophobicContact CB-CD2 4.18Å; V952-L1027 HydrophobicContact CG2-CD2 3.73Å; V952-P1034 HydrophobicContact CB-CB 4.06Å; V952-P1034 HydrophobicContact CB-CG 4.14Å; V952-P1034 HydrophobicContact CG1-CB 3.89Å; V952-P1034 HydrophobicContact CG1-CG 3.76Å |
| 953 | G | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -77.2 | -174.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I986 I1008 P1034 | G953-I986 PolarHBondContact N-O 3.03Å; G953-I1008 VanDerWaalsContact O-CD1 3.31Å; G953-I1008 WeakPolarHBondContact O-CD1 3.23Å; G953-P1034 VanDerWaalsContact O-CG 3.24Å; G953-P1034 WeakPolarHBondContact O-CG 3.18Å | ||
| 954 | S | 92.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -78.3 | -19.9 | -179.9 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | G1030 | S954-G1030 WeakPolarHBondContact CA-O 3.49Š| ||
| 955 | G | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | 68.6 | -150.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112 | N987 Y988 N989 | G955-N987 VanDerWaalsContact CA-OD1 3.23Å; G955-N987 WeakPolarHBondContact CA-OD1 3.48Å; G955-N987 PolarHBondContact N-OD1 2.75Å; G955-Y988 WeakPolarHBondContact CA-OH 3.45Å; G955-N989 WeakPolarHBondContact O-CB 3.28Å | ||
| 956 | V | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -62.2 | 140.7 | -176.9 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | R753 V776 R958 Y988 | R753-V956 HydrophobicContact CB-CG2 3.55Å; R753-V956 HydrophobicContact CG-CG1 4.37Å; R753-V956 HydrophobicContact CG-CG2 3.97Å; V776-V956 HydrophobicContact CG1-CB 3.55Å; V776-V956 HydrophobicContact CG1-CG1 4.49Å; V776-V956 HydrophobicContact CG1-CG2 3.49Å; V776-V956 VanDerWaalsContact CG1-CG2 3.49Å; V956-R958 PolarHBondContact O-N 2.53Å; V956-Y988 HydrophobicContact CB-CE2 4.03Å; V956-Y988 VanDerWaalsContact N-CE2 3.33Å |
| 957 | Y | 92.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 8.2 Ų | 8.2 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | trans | -65.7 | 128 | 167.5 | -69.4 | -16.3 | 0 | 0 | 0 | 111.1 | S961 S962 V963 N989 E991 T992 | Y957-S961 WeakPolarHBondContact CA-O 3.36Å; Y957-S962 VanDerWaalsContact CE1-C 3.46Å; Y957-V963 HydrophobicContact CE1-CG1 4.48Å; Y957-V963 HydrophobicContact CE2-CG1 3.99Å; Y957-V963 WeakPolarHBondContact OH-CG1 3.34Å; Y957-N989 VanDerWaalsContact CD1-ND2 3.31Å; Y957-N989 WeakPolarHBondContact CD1-ND2 3.43Å; Y957-N989 VanDerWaalsContact CG-ND2 3.3Å; Y957-N989 PolarHBondContact N-ND2 3.42Å; Y957-E991 HydrophobicContact CE2-CB 4.21Å; Y957-T992 HydrophobicContact CE1-CG2 3.82Å; Y957-T992 WeakPolarHBondContact OH-CG2 3.03Å | ||
| 958 | R | 91 | Very high | 93.8 | Very high | 53 Ų | 53 | 7 Ų | 7 | 20% | 0.2 | 4% | 0.036 | C | C | . | . | B | Isolated β-bridge | trans | -145.9 | 161.7 | 178.2 | 68.4 | -175.2 | 95 | -176.9 | 5.2 | 108.8 | R753 V956 G960 S961 | R753-R958 HydrophobicContact CG-CB 4.41Å; V956-R958 PolarHBondContact O-N 2.53Å; R958-G960 PolarHBondContact O-N 2.78Å; R958-S961 PolarHBondContact N-O 3.36Å; R958-S961 CarbonylContact O-C 3.55Å; R958-S961 PolarHBondContact O-N 3.36Å |
| 959 | I | 88.2 | Confident | 93.9 | Very high | 7 Ų | 7 | 6.2 Ų | 6.2 | 4% | 0.036 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 111.3 | 172.8 | -63.4 | 176.8 | 0 | 0 | 0 | 107.5 | D755 K758 F759 V773 M1296 T1299 | D755-I959 HydrophobicContact CB-CD1 3.96Å; D755-I959 HydrophobicContact CB-CG1 4.19Å; D755-I959 WeakPolarHBondContact OD2-CB 3.39Å; D755-I959 PolarHBondContact OD2-N 2.77Å; K758-I959 HydrophobicContact CD-CB 4.17Å; K758-I959 HydrophobicContact CD-CD1 4.34Å; K758-I959 HydrophobicContact CD-CG2 4.11Å; K758-I959 PolarHBondContact NZ-O 2.93Å; F759-I959 HydrophobicContact CE2-CD1 3.74Å; F759-I959 HydrophobicContact CZ-CD1 3.84Å; V773-I959 HydrophobicContact CG1-CG1 4.32Å; I959-M1296 HydrophobicContact CG2-CB 4.19Å; I959-M1296 HydrophobicContact CG2-CE 3.97Å; I959-M1296 HydrophobicContact CG2-CG 3.99Å; I959-M1296 WeakPolarHBondContact CG2-O 3.45Å; I959-M1296 HydrophobicContact CG2-SD 4.47Å; I959-T1299 HydrophobicContact CG1-CG2 4.4Å |
| 960 | G | 84.8 | Confident | 93.8 | Very high | 15 Ų | 15 | 6.2 Ų | 6.2 | 16% | 0.155 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.9 | -15.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R958 M1296 | R958-G960 PolarHBondContact O-N 2.78Å; G960-M1296 VanDerWaalsContact CA-SD 3.5Å |
| 961 | S | 87.9 | Confident | 93.7 | Very high | 13 Ų | 13 | 6.8 Ų | 6.8 | 9% | 0.091 | 4% | 0.039 | C | C | . | . | B | Isolated β-bridge | trans | -150.4 | 106.5 | 177 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | Y957 R958 | Y957-S961 WeakPolarHBondContact CA-O 3.36Å; R958-S961 PolarHBondContact N-O 3.36Å; R958-S961 CarbonylContact O-C 3.55Å; R958-S961 PolarHBondContact O-N 3.36Å |
| 962 | S | 89.9 | Confident | 93.6 | Very high | 8 Ų | 8 | 6.8 Ų | 6.8 | 6% | 0.056 | 4% | 0.039 | C | C | . | . | S | Bend | trans | -134.2 | -150.4 | 179.9 | -165.2 | 0 | 0 | 0 | 0 | 112.6 | L414 Y957 E964 F965 | L414-S962 VanDerWaalsContact CD2-OG 3.26Å; L414-S962 WeakPolarHBondContact CD2-OG 3.39Å; Y957-S962 VanDerWaalsContact CE1-C 3.46Å; S962-E964 VanDerWaalsContact C-OE2 3.31Å; S962-E964 WeakPolarHBondContact CB-OE2 3.31Å; S962-E964 PolarHBondContact N-OE1 3.26Å; S962-E964 PolarHBondContact O-N 3.01Å; S962-F965 PolarHBondContact O-N 3.01Å |
| 963 | V | 92.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 6.9 Ų | 6.9 | 3% | 0.03 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -51.5 | -26.4 | -176.2 | -72.2 | 0 | 0 | 0 | 0 | 114.3 | L414 A448 Y957 F965 D966 W967 | L414-V963 HydrophobicContact CD1-CG1 4.23Å; L414-V963 HydrophobicContact CD1-CG2 3.88Å; L414-V963 HydrophobicContact CD2-CB 4.5Å; L414-V963 HydrophobicContact CD2-CG1 3.65Å; L414-V963 HydrophobicContact CD2-CG2 4.08Å; A448-V963 HydrophobicContact CB-CG2 3.69Å; Y957-V963 HydrophobicContact CE1-CG1 4.48Å; Y957-V963 HydrophobicContact CE2-CG1 3.99Å; Y957-V963 WeakPolarHBondContact OH-CG1 3.34Å; V963-F965 VanDerWaalsContact C-N 3.34Å; V963-F965 PolarHBondContact O-N 2.71Å; V963-D966 WeakPolarHBondContact O-CB 3.15Å; V963-D966 PolarHBondContact O-N 2.86Å; V963-W967 WeakPolarHBondContact O-CB 3.47Å; V963-W967 PolarHBondContact O-N 3.28Å |
| 964 | E | 94.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 2% | 0.019 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.9 | -40.7 | 178 | 56.5 | -86.3 | -170 | 0 | 0 | 113.4 | A448 S962 W967 C968 R1235 P1238 | A448-E964 HydrophobicContact CB-CB 4.1Å; S962-E964 VanDerWaalsContact C-OE2 3.31Å; S962-E964 WeakPolarHBondContact CB-OE2 3.31Å; S962-E964 PolarHBondContact N-OE1 3.26Å; S962-E964 PolarHBondContact O-N 3.01Å; E964-W967 WeakPolarHBondContact O-CB 3.49Å; E964-C968 PolarHBondContact O-N 3.29Å; E964-C968 PolarHBondContact O-SG 2.79Å; E964-C968 VanDerWaalsContact O-SG 3.37Å; E964-R1235 HydrophobicContact CB-CB 4.22Å; E964-R1235 HydrophobicContact CG-CB 3.7Å; E964-R1235 HydrophobicContact CG-CG 3.87Å; E964-P1238 HydrophobicContact CB-CG 3.98Å |
| 965 | F | 95.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 10.5 Ų | 10.5 | 2% | 0.018 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -79.7 | -31.6 | 179.7 | -65 | -69.9 | 0 | 0 | 0 | 110.9 | S962 V963 W967 C968 A969 V1233 R1235 | S962-F965 PolarHBondContact O-N 3.01Å; V963-F965 VanDerWaalsContact C-N 3.34Å; V963-F965 PolarHBondContact O-N 2.71Å; F965-W967 VanDerWaalsContact C-N 3.33Å; F965-C968 PolarHBondContact O-N 2.89Å; F965-A969 PolarHBondContact O-N 3.09Å; F965-V1233 HydrophobicContact CD1-CG2 3.72Å; F965-V1233 HydrophobicContact CE1-CG2 4.01Å; F965-R1235 HydrophobicContact CE2-CG 3.95Å; F965-R1235 HydrophobicContact CZ-CG 3.84Å |
| 966 | D | 95.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 10.5 Ų | 10.5 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 170.3 | -168.5 | 54.4 | 0 | 0 | 0 | 111 | V963 C968 A969 V970 T992 V993 S994 | V963-D966 WeakPolarHBondContact O-CB 3.15Å; V963-D966 PolarHBondContact O-N 2.86Å; D966-C968 VanDerWaalsContact C-N 3.35Å; D966-C968 PolarHBondContact O-N 2.9Å; D966-A969 PolarHBondContact O-N 2.9Å; D966-V970 WeakPolarHBondContact O-CB 3.13Å; D966-V970 WeakPolarHBondContact O-CG2 3.13Å; D966-V970 PolarHBondContact O-N 3.22Å; D966-T992 HydrophobicContact CB-CG2 4.33Å; D966-T992 WeakPolarHBondContact OD1-CB 3.01Å; D966-V993 PolarHBondContact OD2-N 3.23Å; D966-S994 WeakPolarHBondContact OD1-CB 3.16Å; D966-S994 PolarHBondContact OD1-N 2.99Å; D966-S994 PolarHBondContact OD1-OG 3.14Å; D966-S994 PolarHBondContact OD2-N 3.39Å |
| 967 | W | 96.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 14.4 Ų | 14.4 | 5% | 0.049 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | 174 | -177.4 | 88.4 | 0 | 0 | 0 | 112.5 | A448 V450 S453 V963 E964 F965 V970 G971 P1238 V1249 | A448-W967 WeakPolarHBondContact O-CB 3.43Å; V450-W967 HydrophobicContact CG2-CB 4.19Å; V450-W967 HydrophobicContact CG2-CG 4.42Å; S453-W967 PolarHBondContact OG-NE1 3.35Å; V963-W967 WeakPolarHBondContact O-CB 3.47Å; V963-W967 PolarHBondContact O-N 3.28Å; E964-W967 WeakPolarHBondContact O-CB 3.49Å; F965-W967 VanDerWaalsContact C-N 3.33Å; W967-V970 PolarHBondContact O-N 3.43Å; W967-G971 PolarHBondContact O-N 2.8Å; W967-P1238 HydrophobicContact CB-CG 4.29Å; W967-P1238 HydrophobicContact CD2-CB 3.94Å; W967-P1238 HydrophobicContact CD2-CG 3.96Å; W967-P1238 HydrophobicContact CE3-CB 3.83Å; W967-P1238 HydrophobicContact CE3-CG 3.57Å; W967-P1238 HydrophobicContact CG-CB 4.32Å; W967-P1238 HydrophobicContact CG-CG 4.24Å; W967-P1238 HydrophobicContact CZ3-CB 4.28Å; W967-P1238 HydrophobicContact CZ3-CG 4.25Å; W967-V1249 HydrophobicContact CE3-CG2 4.06Å; W967-V1249 HydrophobicContact CH2-CG2 4.13Å; W967-V1249 HydrophobicContact CZ3-CB 4.28Å; W967-V1249 HydrophobicContact CZ3-CG2 3.42Å; W967-V1249 VanDerWaalsContact CZ3-CG2 3.42Å |
| 968 | C | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | E964 F965 D966 G971 C972 M1029 V1233 V1249 | E964-C968 PolarHBondContact O-N 3.29Å; E964-C968 PolarHBondContact O-SG 2.79Å; E964-C968 VanDerWaalsContact O-SG 3.37Å; F965-C968 PolarHBondContact O-N 2.89Å; D966-C968 VanDerWaalsContact C-N 3.35Å; D966-C968 PolarHBondContact O-N 2.9Å; C968-G971 PolarHBondContact O-N 2.85Å; C968-C972 WeakPolarHBondContact O-CB 3.42Å; C968-C972 PolarHBondContact O-N 2.89Å; C968-M1029 HydrophobicContact CB-CB 4.49Å; C968-M1029 HydrophobicContact CB-SD 4.36Å; C968-V1233 HydrophobicContact CB-CB 4.19Å; C968-V1233 HydrophobicContact CB-CG1 4Å; C968-V1233 HydrophobicContact CB-CG2 3.76Å; C968-V1249 HydrophobicContact CB-CG2 4.15Å; C968-V1249 WeakPolarHBondContact O-CG1 3.43Å |
| 969 | A | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V951 F965 D966 C972 L973 M985 M1029 | V951-A969 HydrophobicContact CG1-CB 4.34Å; F965-A969 PolarHBondContact O-N 3.09Å; D966-A969 PolarHBondContact O-N 2.9Å; A969-C972 WeakPolarHBondContact O-CB 3.37Å; A969-C972 PolarHBondContact O-N 2.91Å; A969-L973 WeakPolarHBondContact O-CG 3.46Å; A969-L973 PolarHBondContact O-N 2.8Å; A969-M985 HydrophobicContact CB-CE 4.05Å; A969-M985 HydrophobicContact CB-SD 4.5Å; A969-M1029 HydrophobicContact CB-CB 4.46Å |
| 970 | V | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.1 | 173 | 0 | 0 | 0 | 0 | 111.8 | V450 D966 W967 C972 L973 R974 V993 M999 | V450-V970 HydrophobicContact CG1-CG1 4.03Å; V450-V970 HydrophobicContact CG2-CB 3.94Å; V450-V970 HydrophobicContact CG2-CG1 4.07Å; V450-V970 HydrophobicContact CG2-CG2 4.11Å; D966-V970 WeakPolarHBondContact O-CB 3.13Å; D966-V970 WeakPolarHBondContact O-CG2 3.13Å; D966-V970 PolarHBondContact O-N 3.22Å; W967-V970 PolarHBondContact O-N 3.43Å; V970-C972 VanDerWaalsContact C-N 3.3Å; V970-C972 PolarHBondContact O-N 2.75Å; V970-L973 PolarHBondContact O-N 3.11Å; V970-R974 HydrophobicContact CG1-CG 4.4Å; V970-R974 WeakPolarHBondContact O-CB 3.3Å; V970-R974 WeakPolarHBondContact O-CG 3.45Å; V970-R974 PolarHBondContact O-N 2.89Å; V970-V993 HydrophobicContact CG2-CB 4.3Å; V970-V993 HydrophobicContact CG2-CG1 4.23Å; V970-M999 HydrophobicContact CG1-SD 4.09Å |
| 971 | G | 95.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 12% | 0.124 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W967 C968 R974 E975 | W967-G971 PolarHBondContact O-N 2.8Å; C968-G971 PolarHBondContact O-N 2.85Å; G971-R974 PolarHBondContact O-N 3.48Å; G971-E975 PolarHBondContact O-N 3.03Å |
| 972 | C | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 176.2 | -176 | 0 | 0 | 0 | 0 | 112.1 | C968 A969 V970 R974 E975 L976 M1029 V1249 T1253 | C968-C972 WeakPolarHBondContact O-CB 3.42Å; C968-C972 PolarHBondContact O-N 2.89Å; A969-C972 WeakPolarHBondContact O-CB 3.37Å; A969-C972 PolarHBondContact O-N 2.91Å; V970-C972 VanDerWaalsContact C-N 3.3Å; V970-C972 PolarHBondContact O-N 2.75Å; C972-R974 PolarHBondContact O-N 3.03Å; C972-E975 PolarHBondContact O-N 3.18Å; C972-L976 WeakPolarHBondContact O-CB 3.5Å; C972-L976 VanDerWaalsContact O-CG 3.31Å; C972-L976 WeakPolarHBondContact O-CG 3.44Å; C972-L976 PolarHBondContact O-N 3.18Å; C972-M1029 HydrophobicContact CB-CE 4.17Å; C972-M1029 HydrophobicContact CB-CG 3.85Å; C972-M1029 HydrophobicContact CB-SD 4.17Å; C972-V1249 HydrophobicContact CB-CG1 4.25Å; C972-T1253 WeakPolarHBondContact CA-OG1 3.49Å; C972-T1253 PolarHBondContact SG-OG1 3.08Å |
| 973 | L | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 176.9 | -71.9 | 172 | 0 | 0 | 0 | 112.1 | V951 A969 V970 E975 L976 R977 T983 M985 C1000 | V951-L973 HydrophobicContact CB-CD2 4.07Å; V951-L973 HydrophobicContact CG2-CD2 3.82Å; V951-L973 HydrophobicContact CG2-CG 4.41Å; A969-L973 WeakPolarHBondContact O-CG 3.46Å; A969-L973 PolarHBondContact O-N 2.8Å; V970-L973 PolarHBondContact O-N 3.11Å; L973-E975 VanDerWaalsContact C-N 3.34Å; L973-E975 PolarHBondContact O-N 3.26Å; L973-L976 PolarHBondContact O-N 3.05Å; L973-R977 PolarHBondContact O-N 2.9Å; L973-T983 HydrophobicContact CD2-CG2 3.98Å; L973-M985 HydrophobicContact CD1-CB 4.22Å; L973-M985 HydrophobicContact CD1-CG 4.22Å; L973-M985 HydrophobicContact CD1-SD 3.82Å; L973-M985 HydrophobicContact CG-SD 4.47Å; L973-C1000 HydrophobicContact CD1-CB 4.13Å; L973-C1000 HydrophobicContact CD2-CB 4.09Å |
| 974 | R | 94.9 | Very high | 95.6 | Very high | 73 Ų | 73 | 33.6 Ų | 33.6 | 28% | 0.275 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 178.2 | -74.4 | 175.1 | 177.4 | -176.5 | -1.9 | 111.7 | V970 G971 C972 R977 K978 | V970-R974 HydrophobicContact CG1-CG 4.4Å; V970-R974 WeakPolarHBondContact O-CB 3.3Å; V970-R974 WeakPolarHBondContact O-CG 3.45Å; V970-R974 PolarHBondContact O-N 2.89Å; G971-R974 PolarHBondContact O-N 3.48Å; C972-R974 PolarHBondContact O-N 3.03Å; R974-R977 PolarHBondContact O-N 2.93Å; R974-K978 WeakPolarHBondContact O-CG 3.33Å; R974-K978 PolarHBondContact O-N 3.41Å |
| 975 | E | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.7 | -41.1 | 178.6 | -165.2 | 64.3 | -165.9 | 0 | 0 | 111.7 | G971 C972 L973 R977 K978 L979 A1250 T1253 R1254 | G971-E975 PolarHBondContact O-N 3.03Å; C972-E975 PolarHBondContact O-N 3.18Å; L973-E975 VanDerWaalsContact C-N 3.34Å; L973-E975 PolarHBondContact O-N 3.26Å; E975-R977 VanDerWaalsContact C-N 3.3Å; E975-R977 PolarHBondContact O-N 2.86Å; E975-K978 PolarHBondContact O-N 2.86Å; E975-K978 WeakPolarHBondContact OE2-CD 3.46Å; E975-K978 IonicContact OE2-NZ 2.9Å; E975-K978 PolarHBondContact OE2-NZ 2.64Å; E975-L979 VanDerWaalsContact O-CG 3.29Å; E975-L979 WeakPolarHBondContact O-CG 3.44Å; E975-L979 PolarHBondContact O-N 3.08Å; E975-A1250 HydrophobicContact CB-CB 4.49Å; E975-A1250 HydrophobicContact CG-CB 4.02Å; E975-T1253 HydrophobicContact CB-CG2 3.99Å; E975-T1253 HydrophobicContact CG-CG2 4.17Å; E975-R1254 HydrophobicContact CG-CG 4.43Å; E975-R1254 IonicContact OE1-CZ 3.05Å; E975-R1254 IonicContact OE1-NE 3.27Å; E975-R1254 PolarHBondContact OE1-NE 3.48Å; E975-R1254 IonicContact OE1-NH2 3.04Å; E975-R1254 PolarHBondContact OE1-NH2 3.16Å |
| 976 | L | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57 | -43 | 172.8 | -72.8 | 172.1 | 0 | 0 | 0 | 112 | T949 V951 C972 L973 L979 Q980 R981 T983 I1026 T1253 V1257 | T949-L976 HydrophobicContact CG2-CD1 4.09Å; V951-L976 HydrophobicContact CG2-CD1 3.76Å; C972-L976 WeakPolarHBondContact O-CB 3.5Å; C972-L976 VanDerWaalsContact O-CG 3.31Å; C972-L976 WeakPolarHBondContact O-CG 3.44Å; C972-L976 PolarHBondContact O-N 3.18Å; L973-L976 PolarHBondContact O-N 3.05Å; L976-L979 CarbonylContact O-C 3.58Å; L976-L979 WeakPolarHBondContact O-CA 3.09Å; L976-L979 WeakPolarHBondContact O-CB 3.4Å; L976-L979 PolarHBondContact O-N 3.27Å; L976-L979 VanDerWaalsContact O-N 3.14Å; L976-Q980 PolarHBondContact O-N 3.31Å; L976-R981 HydrophobicContact CB-CB 4.44Å; L976-R981 HydrophobicContact CD2-CB 4.45Å; L976-R981 PolarHBondContact O-N 2.94Å; L976-T983 HydrophobicContact CB-CG2 3.62Å; L976-T983 HydrophobicContact CD1-CG2 3.93Å; L976-T983 HydrophobicContact CG-CG2 4.44Å; L976-I1026 HydrophobicContact CD1-CD1 4.16Å; L976-T1253 HydrophobicContact CD2-CG2 3.86Å; L976-T1253 HydrophobicContact CG-CG2 3.84Å; L976-V1257 HydrophobicContact CD2-CG1 3.65Å |
| 977 | R | 94.1 | Very high | 96 | Very high | 82 Ų | 82 | 33 Ų | 33 | 31% | 0.309 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67 | -39.3 | 176 | -78.8 | 175 | 158.9 | -167.7 | -9.2 | 113.5 | L973 R974 E975 L979 Q980 T983 D998 M999 C1000 D1001 | L973-R977 PolarHBondContact O-N 2.9Å; R974-R977 PolarHBondContact O-N 2.93Å; E975-R977 VanDerWaalsContact C-N 3.3Å; E975-R977 PolarHBondContact O-N 2.86Å; R977-L979 PolarHBondContact O-N 3.49Å; R977-Q980 WeakPolarHBondContact O-CA 3.28Å; R977-Q980 PolarHBondContact O-N 3.31Å; R977-T983 HydrophobicContact CG-CG2 4.2Å; R977-D998 PolarHBondContact NH1-O 3.24Å; R977-M999 VanDerWaalsContact CZ-O 3.27Å; R977-M999 PolarHBondContact NH1-O 3.29Å; R977-C1000 VanDerWaalsContact NH2-CA 3.32Å; R977-C1000 PolarHBondContact NH2-O 2.96Å; R977-D1001 IonicContact CZ-OD1 3.83Å; R977-D1001 IonicContact NE-OD1 2.77Å; R977-D1001 PolarHBondContact NE-OD1 2.91Å; R977-D1001 IonicContact NE-OD2 3.7Å; R977-D1001 IonicContact NH2-OD1 2.87Å; R977-D1001 PolarHBondContact NH2-OD1 2.8Å |
| 978 | K | 93.5 | Very high | 96 | Very high | 140 Ų | 140 | 32.7 Ų | 32.7 | 61% | 0.609 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -59.5 | -32.7 | 170.8 | -72.3 | -178.8 | -150.8 | 153 | 0 | 111.7 | R974 E975 Q980 | R974-K978 WeakPolarHBondContact O-CG 3.33Å; R974-K978 PolarHBondContact O-N 3.41Å; E975-K978 PolarHBondContact O-N 2.86Å; E975-K978 WeakPolarHBondContact OE2-CD 3.46Å; E975-K978 IonicContact OE2-NZ 2.9Å; E975-K978 PolarHBondContact OE2-NZ 2.64Å; K978-Q980 PolarHBondContact O-N 2.77Å |
| 979 | L | 94.6 | Very high | 95.9 | Very high | 53 Ų | 53 | 32.7 Ų | 32.7 | 28% | 0.277 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 8.1 | 173.6 | -61.5 | 174.9 | 0 | 0 | 0 | 113.5 | E975 L976 R977 R981 R1254 V1257 L1259 | E975-L979 VanDerWaalsContact O-CG 3.29Å; E975-L979 WeakPolarHBondContact O-CG 3.44Å; E975-L979 PolarHBondContact O-N 3.08Å; L976-L979 CarbonylContact O-C 3.58Å; L976-L979 WeakPolarHBondContact O-CA 3.09Å; L976-L979 WeakPolarHBondContact O-CB 3.4Å; L976-L979 PolarHBondContact O-N 3.27Å; L976-L979 VanDerWaalsContact O-N 3.14Å; R977-L979 PolarHBondContact O-N 3.49Å; L979-R981 VanDerWaalsContact C-N 3.27Å; L979-R981 PolarHBondContact O-N 2.98Å; L979-R1254 HydrophobicContact CD1-CG 4.33Å; L979-V1257 HydrophobicContact CD1-CG2 3.98Å; L979-L1259 HydrophobicContact CD1-CD1 3.69Å; L979-L1259 HydrophobicContact CD2-CD1 3.63Å; L979-L1259 HydrophobicContact CG-CD1 4.3Å |
| 980 | Q | 94 | Very high | 95.8 | Very high | 181 Ų | 181 | 32.7 Ų | 32.7 | 85% | 0.846 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 33.9 | 179 | -56.9 | -179.8 | -11.8 | 0 | 0 | 113.9 | L976 R977 K978 | L976-Q980 PolarHBondContact O-N 3.31Å; R977-Q980 WeakPolarHBondContact O-CA 3.28Å; R977-Q980 PolarHBondContact O-N 3.31Å; K978-Q980 PolarHBondContact O-N 2.77Å |
| 981 | R | 92.8 | Very high | 95.6 | Very high | 80 Ų | 80 | 32.7 Ų | 32.7 | 30% | 0.302 | 15% | 0.15 | S | C | . | . | trans | -100.6 | 124.5 | 175.8 | -69.2 | 179.9 | 164.6 | -82.7 | -0.6 | 110.4 | L976 L979 T983 E1023 | L976-R981 HydrophobicContact CB-CB 4.44Å; L976-R981 HydrophobicContact CD2-CB 4.45Å; L976-R981 PolarHBondContact O-N 2.94Å; L979-R981 VanDerWaalsContact C-N 3.27Å; L979-R981 PolarHBondContact O-N 2.98Å; R981-T983 WeakPolarHBondContact O-CG2 3.48Å; R981-E1023 IonicContact CZ-OE2 3.17Å; R981-E1023 IonicContact NH1-OE2 2.85Å; R981-E1023 PolarHBondContact NH1-OE2 2.83Å | ||
| 982 | P | 94.1 | Very high | 95.4 | Very high | 55 Ų | 55 | 32.1 Ų | 32.1 | 36% | 0.357 | 14% | 0.144 | S | C | . | . | trans | -61.1 | 140.4 | 173.7 | -21.9 | 33.1 | 0 | 0 | 0 | 111.7 | H948 T949 D1001 | H948-P982 WeakPolarHBondContact CA-O 3.28Å; H948-P982 WeakPolarHBondContact CD2-CB 3.05Å; T949-P982 PolarHBondContact N-O 3.08Å; P982-D1001 WeakPolarHBondContact CA-OD2 3.45Å | ||
| 983 | T | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.8 | -168.5 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | L973 L976 R977 R981 D1001 R1002 | L973-T983 HydrophobicContact CD2-CG2 3.98Å; L976-T983 HydrophobicContact CB-CG2 3.62Å; L976-T983 HydrophobicContact CD1-CG2 3.93Å; L976-T983 HydrophobicContact CG-CG2 4.44Å; R977-T983 HydrophobicContact CG-CG2 4.2Å; R981-T983 WeakPolarHBondContact O-CG2 3.48Å; T983-D1001 PolarHBondContact N-OD2 3.08Å; T983-D1001 WeakPolarHBondContact O-CB 3.41Å; T983-D1001 PolarHBondContact O-N 3.28Å; T983-D1001 VanDerWaalsContact O-N 3.16Å; T983-D1001 PolarHBondContact OG1-N 3.38Å; T983-D1001 PolarHBondContact OG1-OD2 2.74Å; T983-R1002 PolarHBondContact O-N 2.73Å; T983-R1002 VanDerWaalsContact O-N 3.16Å |
| 984 | I | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.2 | 166.3 | -69.5 | 159.6 | 0 | 0 | 0 | 108.2 | H948 T949 I950 V951 I986 R1002 Y1004 I1016 E1020 | H948-I984 HydrophobicContact CB-CD1 3.32Å; H948-I984 HydrophobicContact CB-CG1 3.68Å; T949-I984 PolarHBondContact O-N 2.76Å; I950-I984 CarbonylContact C-O 3.51Å; I950-I984 WeakPolarHBondContact CA-O 3.47Å; I950-I984 HydrophobicContact CG1-CB 3.93Å; I950-I984 HydrophobicContact CG1-CD1 3.97Å; I950-I984 HydrophobicContact CG1-CG2 4.02Å; V951-I984 PolarHBondContact N-O 2.8Å; I984-I986 HydrophobicContact CG2-CG1 4.24Å; I984-R1002 CarbonylContact C-O 3.45Å; I984-R1002 WeakPolarHBondContact CA-O 3.13Å; I984-R1002 HydrophobicContact CG1-CB 4Å; I984-Y1004 HydrophobicContact CG2-CD2 3.68Å; I984-Y1004 HydrophobicContact CG2-CE2 3.99Å; I984-I1016 HydrophobicContact CG2-CG2 4.49Å; I984-E1020 HydrophobicContact CD1-CB 3.73Å; I984-E1020 HydrophobicContact CD1-CG 3.57Å |
| 985 | M | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.6 | 169.5 | -174.8 | 66.4 | -165.8 | 0 | 0 | 109.7 | V951 A969 L973 N987 C1000 R1002 L1003 Y1004 | V951-M985 HydrophobicContact CB-SD 4.2Å; V951-M985 HydrophobicContact CG1-SD 4.19Å; V951-M985 WeakPolarHBondContact O-CA 3.39Å; A969-M985 HydrophobicContact CB-CE 4.05Å; A969-M985 HydrophobicContact CB-SD 4.5Å; L973-M985 HydrophobicContact CD1-CB 4.22Å; L973-M985 HydrophobicContact CD1-CG 4.22Å; L973-M985 HydrophobicContact CD1-SD 3.82Å; L973-M985 HydrophobicContact CG-SD 4.47Å; M985-N987 HydrophobicContact CE-CB 3.73Å; M985-C1000 HydrophobicContact CB-CB 3.85Å; M985-C1000 WeakPolarHBondContact CB-SG 3.37Å; M985-R1002 PolarHBondContact N-O 2.98Å; M985-L1003 HydrophobicContact CB-CD1 3.82Å; M985-L1003 HydrophobicContact CG-CD1 3.79Å; M985-Y1004 PolarHBondContact O-N 2.98Å |
| 986 | I | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 112.1 | 170.4 | -52.3 | 174.4 | 0 | 0 | 0 | 108.2 | I950 V951 G953 I984 I1008 V1013 I1016 | I950-I986 HydrophobicContact CG2-CD1 3.66Å; I950-I986 HydrophobicContact CG2-CG1 4.07Å; V951-I986 PolarHBondContact O-N 3.44Å; V951-I986 VanDerWaalsContact O-N 3.12Å; G953-I986 PolarHBondContact N-O 3.03Å; I984-I986 HydrophobicContact CG2-CG1 4.24Å; I986-I1008 HydrophobicContact CG2-CG1 4.32Å; I986-V1013 HydrophobicContact CD1-CG1 4.36Å; I986-V1013 HydrophobicContact CD1-CG2 4.16Å; I986-I1016 HydrophobicContact CD1-CB 4.28Å; I986-I1016 HydrophobicContact CD1-CD1 3.74Å; I986-I1016 HydrophobicContact CD1-CG2 4.13Å; I986-I1016 HydrophobicContact CG1-CD1 4.06Å; I986-I1016 HydrophobicContact CG2-CD1 4.34Å |
| 987 | N | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 161.8 | 177.9 | -160.7 | 10.3 | 0 | 0 | 0 | 110.6 | G955 M985 T992 S994 T995 Y1004 F1005 | G955-N987 VanDerWaalsContact CA-OD1 3.23Å; G955-N987 WeakPolarHBondContact CA-OD1 3.48Å; G955-N987 PolarHBondContact N-OD1 2.75Å; M985-N987 HydrophobicContact CE-CB 3.73Å; N987-T992 PolarHBondContact ND2-OG1 2.9Å; N987-S994 PolarHBondContact ND2-OG 2.92Å; N987-T995 HydrophobicContact CB-CG2 3.86Å; N987-Y1004 PolarHBondContact N-O 3.24Å; N987-Y1004 VanDerWaalsContact O-O 3.06Å; N987-F1005 VanDerWaalsContact O-CA 3.3Å; N987-F1005 WeakPolarHBondContact O-CA 3.37Å |
| 988 | Y | 96.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | trans | -140.5 | 10.6 | -173.2 | 54.9 | -99.7 | 0 | 0 | 0 | 114.3 | V776 M777 M793 G955 V956 P990 E1006 I1008 L1033 | V776-Y988 HydrophobicContact CB-CD2 3.96Å; V776-Y988 HydrophobicContact CB-CE2 4.33Å; V776-Y988 HydrophobicContact CG1-CD2 3.78Å; V776-Y988 HydrophobicContact CG1-CE2 3.66Å; M777-Y988 PolarHBondContact N-O 2.89Å; M793-Y988 HydrophobicContact CB-CD2 3.65Å; M793-Y988 HydrophobicContact CB-CE2 3.65Å; M793-Y988 HydrophobicContact CB-CG 4.17Å; M793-Y988 HydrophobicContact CE-CG 4.35Å; M793-Y988 HydrophobicContact CG-CD1 4.14Å; M793-Y988 HydrophobicContact CG-CD2 3.86Å; M793-Y988 HydrophobicContact CG-CE1 4.42Å; M793-Y988 HydrophobicContact CG-CE2 4.16Å; M793-Y988 HydrophobicContact CG-CG 3.83Å; M793-Y988 VanDerWaalsContact O-CE2 3.27Å; M793-Y988 WeakPolarHBondContact O-CE2 3.5Å; M793-Y988 PolarHBondContact O-OH 2.83Å; M793-Y988 HydrophobicContact SD-CD2 4.17Å; M793-Y988 HydrophobicContact SD-CG 3.97Å; G955-Y988 WeakPolarHBondContact CA-OH 3.45Å; V956-Y988 HydrophobicContact CB-CE2 4.03Å; V956-Y988 VanDerWaalsContact N-CE2 3.33Å; Y988-P990 WeakPolarHBondContact O-CD 3.31Å; Y988-E1006 VanDerWaalsContact CD1-O 3.27Å; Y988-E1006 WeakPolarHBondContact CD1-O 3.31Å; Y988-I1008 HydrophobicContact CD1-CD1 4.33Å; Y988-I1008 HydrophobicContact CD1-CG1 4.13Å; Y988-I1008 HydrophobicContact CE1-CB 4.03Å; Y988-I1008 HydrophobicContact CE1-CD1 3.81Å; Y988-I1008 HydrophobicContact CE1-CG1 3.73Å; Y988-L1033 HydrophobicContact CE1-CD2 4.49Å; Y988-L1033 VanDerWaalsContact OH-CD2 3.3Å; Y988-L1033 WeakPolarHBondContact OH-CD2 3.4Å | ||
| 989 | N | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -93.7 | 111.8 | 177.6 | -179.4 | -13.3 | 0 | 0 | 0 | 110.1 | E775 G955 Y957 E991 T992 T995 | E775-N989 PolarHBondContact O-OD1 2.81Å; G955-N989 WeakPolarHBondContact O-CB 3.28Å; Y957-N989 VanDerWaalsContact CD1-ND2 3.31Å; Y957-N989 WeakPolarHBondContact CD1-ND2 3.43Å; Y957-N989 VanDerWaalsContact CG-ND2 3.3Å; Y957-N989 PolarHBondContact N-ND2 3.42Å; N989-E991 PolarHBondContact O-N 3.43Å; N989-E991 WeakPolarHBondContact OD1-CB 3.41Å; N989-E991 PolarHBondContact OD1-N 3.38Å; N989-T992 HydrophobicContact CB-CG2 3.75Å; N989-T992 PolarHBondContact O-N 2.95Å; N989-T992 PolarHBondContact O-OG1 2.81Å; N989-T995 WeakPolarHBondContact O-CG2 3.35Å; N989-T995 PolarHBondContact O-OG1 3.14Å | ||
| 990 | P | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16 | -176.5 | 31.3 | -37.7 | 0 | 0 | 0 | 114 | L703 K706 E775 M777 Y988 T992 | L703-P990 HydrophobicContact CD1-CB 4.47Å; L703-P990 HydrophobicContact CD1-CG 4.34Å; K706-P990 HydrophobicContact CB-CB 4.27Å; K706-P990 HydrophobicContact CG-CB 3.92Å; E775-P990 HydrophobicContact CG-CG 3.9Å; M777-P990 HydrophobicContact CB-CB 4.13Å; M777-P990 HydrophobicContact CB-CG 3.9Å; M777-P990 HydrophobicContact SD-CB 4.25Å; Y988-P990 WeakPolarHBondContact O-CD 3.31Å; P990-T992 VanDerWaalsContact C-N 3.26Å; P990-T992 PolarHBondContact O-N 3Å |
| 991 | E | 91.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -6 | 179.5 | -56.9 | 175.1 | 118.9 | 0 | 0 | 112.8 | A419 G420 R699 G774 E775 Y957 N989 | A419-E991 WeakPolarHBondContact CB-OE1 3.48Å; G420-E991 CarbonylContact C-O 3.16Å; R699-E991 IonicContact CZ-OE1 2.73Å; R699-E991 IonicContact NE-OE1 3.22Å; R699-E991 PolarHBondContact NE-OE1 3.42Å; R699-E991 IonicContact NH2-OE1 2.79Å; R699-E991 PolarHBondContact NH2-OE1 2.84Å; G774-E991 WeakPolarHBondContact CA-OE2 3.12Å; E775-E991 HydrophobicContact CG-CG 3.94Å; E775-E991 PolarHBondContact N-OE2 2.83Å; Y957-E991 HydrophobicContact CE2-CB 4.21Å; N989-E991 PolarHBondContact O-N 3.43Å; N989-E991 WeakPolarHBondContact OD1-CB 3.41Å; N989-E991 PolarHBondContact OD1-N 3.38Å |
| 992 | T | 91.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -92 | 155.5 | -170.9 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | Y957 D966 N987 N989 P990 T995 | Y957-T992 HydrophobicContact CE1-CG2 3.82Å; Y957-T992 WeakPolarHBondContact OH-CG2 3.03Å; D966-T992 HydrophobicContact CB-CG2 4.33Å; D966-T992 WeakPolarHBondContact OD1-CB 3.01Å; N987-T992 PolarHBondContact ND2-OG1 2.9Å; N989-T992 HydrophobicContact CB-CG2 3.75Å; N989-T992 PolarHBondContact O-N 2.95Å; N989-T992 PolarHBondContact O-OG1 2.81Å; P990-T992 VanDerWaalsContact C-N 3.26Å; P990-T992 PolarHBondContact O-N 3Å; T992-T995 PolarHBondContact O-OG1 3.49Å; T992-T995 VanDerWaalsContact OG1-CG2 3.23Å; T992-T995 WeakPolarHBondContact OG1-CG2 3.37Å; T992-T995 PolarHBondContact OG1-OG1 3.07Å | ||
| 993 | V | 91.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 9.6 Ų | 9.6 | 4% | 0.036 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -78.3 | -31.6 | 171.9 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | V450 D966 V970 T995 D996 M999 | V450-V993 HydrophobicContact CB-CB 4.27Å; V450-V993 HydrophobicContact CB-CG1 4.3Å; V450-V993 HydrophobicContact CB-CG2 4.14Å; V450-V993 HydrophobicContact CG1-CG1 4.01Å; V450-V993 HydrophobicContact CG2-CB 4.18Å; V450-V993 HydrophobicContact CG2-CG1 4.41Å; V450-V993 HydrophobicContact CG2-CG2 4.46Å; D966-V993 PolarHBondContact OD2-N 3.23Å; V970-V993 HydrophobicContact CG2-CB 4.3Å; V970-V993 HydrophobicContact CG2-CG1 4.23Å; V993-T995 PolarHBondContact O-N 3.08Å; V993-T995 VanDerWaalsContact O-N 3.1Å; V993-D996 VanDerWaalsContact O-CB 3.24Å; V993-D996 WeakPolarHBondContact O-CB 3.4Å; V993-D996 PolarHBondContact O-N 3.46Å; V993-M999 HydrophobicContact CG1-CG 4.1Å; V993-M999 HydrophobicContact CG1-SD 4.21Å; V993-M999 VanDerWaalsContact O-CG 3.28Å; V993-M999 WeakPolarHBondContact O-CG 3.34Å |
| 994 | S | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.1 | 177.3 | 60 | 0 | 0 | 0 | 0 | 114.2 | D966 N987 D996 | D966-S994 WeakPolarHBondContact OD1-CB 3.16Å; D966-S994 PolarHBondContact OD1-N 2.99Å; D966-S994 PolarHBondContact OD1-OG 3.14Å; D966-S994 PolarHBondContact OD2-N 3.39Å; N987-S994 PolarHBondContact ND2-OG 2.92Å; S994-D996 VanDerWaalsContact C-N 3.29Å |
| 995 | T | 92.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 18.6 | 176.2 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | K706 Y930 N987 N989 T992 V993 L1003 F1005 | K706-T995 WeakPolarHBondContact CD-O 3.39Å; K706-T995 PolarHBondContact NZ-O 3.32Å; Y930-T995 PolarHBondContact OH-O 2.99Å; N987-T995 HydrophobicContact CB-CG2 3.86Å; N989-T995 WeakPolarHBondContact O-CG2 3.35Å; N989-T995 PolarHBondContact O-OG1 3.14Å; T992-T995 PolarHBondContact O-OG1 3.49Å; T992-T995 VanDerWaalsContact OG1-CG2 3.23Å; T992-T995 WeakPolarHBondContact OG1-CG2 3.37Å; T992-T995 PolarHBondContact OG1-OG1 3.07Å; V993-T995 PolarHBondContact O-N 3.08Å; V993-T995 VanDerWaalsContact O-N 3.1Å; T995-L1003 VanDerWaalsContact C-CD2 3.48Å; T995-L1003 VanDerWaalsContact CA-CD2 3.44Å; T995-L1003 HydrophobicContact CG2-CD1 4.3Å; T995-L1003 HydrophobicContact CG2-CD2 4.4Å; T995-L1003 WeakPolarHBondContact O-CD2 3.36Å; T995-F1005 HydrophobicContact CG2-CD1 4.48Å; T995-F1005 HydrophobicContact CG2-CE1 3.74Å; T995-F1005 HydrophobicContact CG2-CE2 4.4Å; T995-F1005 HydrophobicContact CG2-CZ 3.73Å |
| 996 | D | 88.5 | Confident | 92.8 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -87.7 | 150.9 | 177.9 | -157.8 | 39.7 | 0 | 0 | 0 | 114.5 | Y424 Q428 K706 V993 S994 D998 M999 | Y424-D996 HydrophobicContact CE2-CB 4.42Å; Q428-D996 VanDerWaalsContact CD-OD2 3.26Å; Q428-D996 PolarHBondContact NE2-OD2 2.9Å; K706-D996 VanDerWaalsContact NZ-CA 3.29Å; K706-D996 IonicContact NZ-OD1 2.97Å; K706-D996 PolarHBondContact NZ-OD1 2.93Å; V993-D996 VanDerWaalsContact O-CB 3.24Å; V993-D996 WeakPolarHBondContact O-CB 3.4Å; V993-D996 PolarHBondContact O-N 3.46Å; S994-D996 VanDerWaalsContact C-N 3.29Å; D996-D998 PolarHBondContact O-N 2.93Å; D996-D998 VanDerWaalsContact O-N 3.09Å; D996-D998 VanDerWaalsContact OD2-OD1 3.1Å; D996-M999 HydrophobicContact CB-CG 3.98Å; D996-M999 PolarHBondContact O-N 2.87Å |
| 997 | Y | 80 | Confident | 92.7 | Very high | 30 Ų | 30 | 10.8 Ų | 10.8 | 12% | 0.118 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.2 | -165.6 | 74 | -84.4 | 0 | 0 | 0 | 114.1 | K431 P711 S731 V732 N929 Y930 | K431-Y997 PolarHBondContact NZ-OH 2.68Å; P711-Y997 HydrophobicContact CB-CD1 4.3Å; P711-Y997 HydrophobicContact CB-CE1 3.93Å; S731-Y997 PolarHBondContact OG-OH 3.16Å; V732-Y997 HydrophobicContact CG2-CD1 4.26Å; V732-Y997 HydrophobicContact CG2-CD2 3.79Å; V732-Y997 HydrophobicContact CG2-CE2 4.19Å; V732-Y997 HydrophobicContact CG2-CG 3.82Å; N929-Y997 PolarHBondContact ND2-O 3.23Å; N929-Y997 VanDerWaalsContact OD1-CA 3.27Å; N929-Y997 WeakPolarHBondContact OD1-CA 3.42Å; N929-Y997 PolarHBondContact OD1-O 3.3Å; Y930-Y997 PolarHBondContact OH-N 2.92Å |
| 998 | D | 83.9 | Confident | 92.6 | Very high | 38 Ų | 38 | 11.1 Ų | 11.1 | 20% | 0.203 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 4.4 | -178 | 73.7 | -34.6 | 0 | 0 | 0 | 112.8 | K431 R977 D996 | K431-D998 WeakPolarHBondContact CE-OD2 3.46Å; K431-D998 IonicContact NZ-OD1 3.76Å; K431-D998 IonicContact NZ-OD2 2.77Å; K431-D998 PolarHBondContact NZ-OD2 3.3Å; R977-D998 PolarHBondContact NH1-O 3.24Å; D996-D998 PolarHBondContact O-N 2.93Å; D996-D998 VanDerWaalsContact O-N 3.09Å; D996-D998 VanDerWaalsContact OD2-OD1 3.1Å |
| 999 | M | 88.9 | Confident | 92.5 | Very high | 19 Ų | 19 | 11.3 Ų | 11.3 | 9% | 0.094 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -30.9 | -174.6 | -77.3 | -56.5 | 104.3 | 0 | 0 | 114.5 | V970 R977 V993 D996 | V970-M999 HydrophobicContact CG1-SD 4.09Å; R977-M999 VanDerWaalsContact CZ-O 3.27Å; R977-M999 PolarHBondContact NH1-O 3.29Å; V993-M999 HydrophobicContact CG1-CG 4.1Å; V993-M999 HydrophobicContact CG1-SD 4.21Å; V993-M999 VanDerWaalsContact O-CG 3.28Å; V993-M999 WeakPolarHBondContact O-CG 3.34Å; D996-M999 HydrophobicContact CB-CG 3.98Å; D996-M999 PolarHBondContact O-N 2.87Å |
| 1000 | C | 91.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.014 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -136.8 | 163.9 | 178 | 55.6 | 0 | 0 | 0 | 0 | 110.8 | N929 L973 R977 M985 R1002 | N929-C1000 PolarHBondContact ND2-O 2.88Å; L973-C1000 HydrophobicContact CD1-CB 4.13Å; L973-C1000 HydrophobicContact CD2-CB 4.09Å; R977-C1000 VanDerWaalsContact NH2-CA 3.32Å; R977-C1000 PolarHBondContact NH2-O 2.96Å; M985-C1000 HydrophobicContact CB-CB 3.85Å; M985-C1000 WeakPolarHBondContact CB-SG 3.37Å; C1000-R1002 VanDerWaalsContact SG-C 3.59Å; C1000-R1002 PolarHBondContact SG-O 2.91Å |
| 1001 | D | 93.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 12.1 Ų | 12.1 | 35% | 0.353 | 6% | 0.059 | S | C | . | . | S | Bend | trans | -77.6 | -29.8 | -177 | -50.3 | -53.8 | 0 | 0 | 0 | 111.1 | N929 R977 P982 T983 | N929-D1001 WeakPolarHBondContact CB-O 3.29Å; R977-D1001 IonicContact CZ-OD1 3.83Å; R977-D1001 IonicContact NE-OD1 2.77Å; R977-D1001 PolarHBondContact NE-OD1 2.91Å; R977-D1001 IonicContact NE-OD2 3.7Å; R977-D1001 IonicContact NH2-OD1 2.87Å; R977-D1001 PolarHBondContact NH2-OD1 2.8Å; P982-D1001 WeakPolarHBondContact CA-OD2 3.45Å; T983-D1001 PolarHBondContact N-OD2 3.08Å; T983-D1001 WeakPolarHBondContact O-CB 3.41Å; T983-D1001 PolarHBondContact O-N 3.28Å; T983-D1001 VanDerWaalsContact O-N 3.16Å; T983-D1001 PolarHBondContact OG1-N 3.38Å; T983-D1001 PolarHBondContact OG1-OD2 2.74Å |
| 1002 | R | 94.7 | Very high | 92.8 | Very high | 34 Ų | 34 | 12.6 Ų | 12.6 | 13% | 0.128 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 128 | 169.3 | -66.5 | -175 | 177.1 | -157.3 | -8.8 | 110.3 | L931 D943 T983 I984 M985 C1000 Y1004 E1020 | L931-R1002 HydrophobicContact CD1-CB 3.95Å; L931-R1002 HydrophobicContact CD1-CG 4.05Å; D943-R1002 PolarHBondContact O-NH1 3.38Å; D943-R1002 PolarHBondContact O-NH2 3.18Å; T983-R1002 PolarHBondContact O-N 2.73Å; T983-R1002 VanDerWaalsContact O-N 3.16Å; I984-R1002 CarbonylContact C-O 3.45Å; I984-R1002 WeakPolarHBondContact CA-O 3.13Å; I984-R1002 HydrophobicContact CG1-CB 4Å; M985-R1002 PolarHBondContact N-O 2.98Å; C1000-R1002 VanDerWaalsContact SG-C 3.59Å; C1000-R1002 PolarHBondContact SG-O 2.91Å; R1002-Y1004 HydrophobicContact CB-CE2 4.31Å; R1002-E1020 WeakPolarHBondContact CD-OE1 3.41Å; R1002-E1020 IonicContact CZ-OE1 2.81Å; R1002-E1020 IonicContact CZ-OE2 3.21Å; R1002-E1020 IonicContact NE-OE1 3.07Å; R1002-E1020 IonicContact NH1-OE1 3.95Å; R1002-E1020 PolarHBondContact NH1-OE1 3.3Å; R1002-E1020 IonicContact NH1-OE2 3.7Å; R1002-E1020 PolarHBondContact NH1-OE2 2.84Å |
| 1003 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.1 | 173.4 | 176.5 | 62.5 | 0 | 0 | 0 | 109.1 | N929 Y930 L931 M985 T995 F1005 | N929-L1003 PolarHBondContact O-N 3.02Å; Y930-L1003 HydrophobicContact CD1-CB 4.14Å; Y930-L1003 HydrophobicContact CD1-CD2 3.57Å; Y930-L1003 HydrophobicContact CD1-CG 4.38Å; Y930-L1003 HydrophobicContact CE1-CD2 3.52Å; L931-L1003 WeakPolarHBondContact CB-O 3.37Å; L931-L1003 PolarHBondContact N-O 3.02Å; M985-L1003 HydrophobicContact CB-CD1 3.82Å; M985-L1003 HydrophobicContact CG-CD1 3.79Å; T995-L1003 VanDerWaalsContact C-CD2 3.48Å; T995-L1003 VanDerWaalsContact CA-CD2 3.44Å; T995-L1003 HydrophobicContact CG2-CD1 4.3Å; T995-L1003 HydrophobicContact CG2-CD2 4.4Å; T995-L1003 WeakPolarHBondContact O-CD2 3.36Å; L1003-F1005 HydrophobicContact CD2-CD2 3.48Å; L1003-F1005 VanDerWaalsContact CD2-CD2 3.48Å; L1003-F1005 HydrophobicContact CD2-CE2 3.27Å; L1003-F1005 HydrophobicContact CD2-CZ 4.15Å; L1003-F1005 HydrophobicContact CG-CD2 3.9Å; L1003-F1005 HydrophobicContact CG-CE2 4.17Å |
| 1004 | Y | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 107.3 | 168.3 | -75.3 | -96.7 | 0 | 0 | 0 | 109.4 | V914 L931 H933 I984 M985 N987 R1002 E1006 I1016 E1020 | V914-Y1004 HydrophobicContact CG1-CE1 4Å; V914-Y1004 HydrophobicContact CG2-CE1 3.98Å; L931-Y1004 HydrophobicContact CB-CD1 4.12Å; L931-Y1004 HydrophobicContact CB-CE1 4.17Å; L931-Y1004 HydrophobicContact CB-CG 4.37Å; L931-Y1004 HydrophobicContact CD1-CD2 4.34Å; L931-Y1004 HydrophobicContact CD1-CE1 4.26Å; L931-Y1004 HydrophobicContact CD1-CE2 3.78Å; L931-Y1004 WeakPolarHBondContact O-CA 3.43Å; H933-Y1004 AromaticContact CD2-CE1 3.9Å; H933-Y1004 AromaticContact NE2-CD1 3.95Å; H933-Y1004 AromaticContact NE2-CE1 3.56Å; I984-Y1004 HydrophobicContact CG2-CD2 3.68Å; I984-Y1004 HydrophobicContact CG2-CE2 3.99Å; M985-Y1004 PolarHBondContact O-N 2.98Å; N987-Y1004 PolarHBondContact N-O 3.24Å; N987-Y1004 VanDerWaalsContact O-O 3.06Å; R1002-Y1004 HydrophobicContact CB-CE2 4.31Å; Y1004-E1006 PolarHBondContact O-N 2.82Å; Y1004-I1016 HydrophobicContact CD1-CD1 3.6Å; Y1004-I1016 HydrophobicContact CD1-CG1 3.79Å; Y1004-I1016 HydrophobicContact CD1-CG2 4.45Å; Y1004-I1016 HydrophobicContact CD2-CD1 4.41Å; Y1004-I1016 HydrophobicContact CD2-CG2 4.03Å; Y1004-I1016 HydrophobicContact CE1-CD1 4.28Å; Y1004-I1016 HydrophobicContact CE1-CG1 3.96Å; Y1004-I1016 HydrophobicContact CE1-CG2 4.3Å; Y1004-I1016 HydrophobicContact CE2-CG2 3.87Å; Y1004-I1016 HydrophobicContact CG-CD1 3.67Å; Y1004-I1016 HydrophobicContact CG-CG1 4.2Å; Y1004-I1016 HydrophobicContact CG-CG2 4.32Å; Y1004-E1020 HydrophobicContact CE2-CG 4.28Å; Y1004-E1020 WeakPolarHBondContact CE2-OE1 3.5Å; Y1004-E1020 PolarHBondContact OH-OE1 3.25Å |
| 1005 | F | 96.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 0% | 0.004 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 69.1 | 171.4 | -101.9 | -75.3 | 0 | 0 | 0 | 110.3 | K706 I779 Y930 L931 N987 T995 L1003 | K706-F1005 HydrophobicContact CB-CE1 4.48Å; K706-F1005 HydrophobicContact CB-CE2 4.31Å; K706-F1005 HydrophobicContact CB-CZ 3.76Å; K706-F1005 HydrophobicContact CD-CE2 4.49Å; K706-F1005 HydrophobicContact CD-CZ 4.06Å; K706-F1005 HydrophobicContact CG-CZ 3.84Å; I779-F1005 HydrophobicContact CD1-CB 4.09Å; Y930-F1005 HydrophobicContact CD1-CE2 4.4Å; Y930-F1005 HydrophobicContact CD2-CE2 4.47Å; Y930-F1005 HydrophobicContact CE1-CE2 4.38Å; Y930-F1005 HydrophobicContact CG-CD2 4.48Å; Y930-F1005 HydrophobicContact CG-CE2 4.43Å; L931-F1005 PolarHBondContact O-N 2.77Å; N987-F1005 VanDerWaalsContact O-CA 3.3Å; N987-F1005 WeakPolarHBondContact O-CA 3.37Å; T995-F1005 HydrophobicContact CG2-CD1 4.48Å; T995-F1005 HydrophobicContact CG2-CE1 3.74Å; T995-F1005 HydrophobicContact CG2-CE2 4.4Å; T995-F1005 HydrophobicContact CG2-CZ 3.73Å; L1003-F1005 HydrophobicContact CD2-CD2 3.48Å; L1003-F1005 VanDerWaalsContact CD2-CD2 3.48Å; L1003-F1005 HydrophobicContact CD2-CE2 3.27Å; L1003-F1005 HydrophobicContact CD2-CZ 4.15Å; L1003-F1005 HydrophobicContact CG-CD2 3.9Å; L1003-F1005 HydrophobicContact CG-CE2 4.17Å |
| 1006 | E | 97 | Very high | 93.6 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | trans | -143.5 | 158.9 | -165.4 | -90.1 | -58.1 | 162.9 | 0 | 0 | 113.5 | K789 H933 Y988 Y1004 V1012 I1016 | K789-E1006 IonicContact NZ-OE1 3.18Å; K789-E1006 PolarHBondContact NZ-OE1 3.49Å; K789-E1006 IonicContact NZ-OE2 3.47Å; H933-E1006 WeakPolarHBondContact CA-OE1 3.39Å; H933-E1006 HydrophobicContact CB-CG 4.18Å; H933-E1006 WeakPolarHBondContact CB-OE1 3.43Å; H933-E1006 PolarHBondContact N-OE1 3.28Å; Y988-E1006 VanDerWaalsContact CD1-O 3.27Å; Y988-E1006 WeakPolarHBondContact CD1-O 3.31Å; Y1004-E1006 PolarHBondContact O-N 2.82Å; E1006-V1012 HydrophobicContact CB-CG1 3.78Å; E1006-V1012 HydrophobicContact CG-CG1 4.31Å; E1006-I1016 HydrophobicContact CB-CD1 4.47Å | ||
| 1007 | E | 95.6 | Very high | 94 | Very high | 20 Ų | 20 | 14.8 Ų | 14.8 | 9% | 0.093 | 7% | 0.071 | C | C | . | . | trans | -61.3 | 136 | -175 | -177.1 | -168.1 | 141.5 | 0 | 0 | 112 | R792 M793 S1009 V1012 | R792-E1007 HydrophobicContact CB-CG 4.47Å; R792-E1007 WeakPolarHBondContact CD-OE2 3.34Å; R792-E1007 IonicContact CZ-OE2 3.21Å; R792-E1007 IonicContact NE-OE1 2.83Å; R792-E1007 IonicContact NE-OE2 2.66Å; R792-E1007 PolarHBondContact NE-OE2 2.76Å; R792-E1007 IonicContact NH2-OE2 3.68Å; M793-E1007 HydrophobicContact CE-CB 4.07Å; M793-E1007 VanDerWaalsContact CE-N 3.25Å; M793-E1007 HydrophobicContact CG-CB 4.1Å; M793-E1007 HydrophobicContact CG-CG 4.32Å; E1007-S1009 VanDerWaalsContact C-N 3.35Å; E1007-S1009 PolarHBondContact O-N 2.66Å; E1007-S1009 VanDerWaalsContact O-N 3.1Å; E1007-S1009 WeakPolarHBondContact OE1-CB 3.45Å; E1007-S1009 PolarHBondContact OE1-OG 3.49Å; E1007-V1012 HydrophobicContact CB-CG2 4.21Å; E1007-V1012 WeakPolarHBondContact O-CB 3.36Å; E1007-V1012 VanDerWaalsContact O-CG1 3.26Å; E1007-V1012 WeakPolarHBondContact O-CG1 3.26Å | ||
| 1008 | I | 95.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.036 | 8% | 0.079 | C | C | . | . | trans | -85.9 | 82.4 | 172.1 | -60.1 | 165.7 | 0 | 0 | 0 | 108.5 | V952 G953 I986 Y988 L1033 I1037 | V952-I1008 HydrophobicContact CG1-CB 4.38Å; V952-I1008 HydrophobicContact CG1-CD1 3.97Å; V952-I1008 HydrophobicContact CG1-CG1 3.92Å; V952-I1008 HydrophobicContact CG1-CG2 3.53Å; G953-I1008 VanDerWaalsContact O-CD1 3.31Å; G953-I1008 WeakPolarHBondContact O-CD1 3.23Å; I986-I1008 HydrophobicContact CG2-CG1 4.32Å; Y988-I1008 HydrophobicContact CD1-CD1 4.33Å; Y988-I1008 HydrophobicContact CD1-CG1 4.13Å; Y988-I1008 HydrophobicContact CE1-CB 4.03Å; Y988-I1008 HydrophobicContact CE1-CD1 3.81Å; Y988-I1008 HydrophobicContact CE1-CG1 3.73Å; I1008-L1033 HydrophobicContact CB-CD2 3.92Å; I1008-L1033 HydrophobicContact CB-CG 4.26Å; I1008-L1033 HydrophobicContact CD1-CD2 4.03Å; I1008-L1033 HydrophobicContact CG2-CD2 4.17Å; I1008-L1033 HydrophobicContact CG2-CG 3.98Å; I1008-I1037 HydrophobicContact CG2-CD1 4.26Å | ||
| 1009 | S | 94.5 | Very high | 95.2 | Very high | 11 Ų | 11 | 16.3 Ų | 16.3 | 8% | 0.077 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -134.8 | 164 | 171.6 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | E1007 E1011 V1012 V1013 | E1007-S1009 VanDerWaalsContact C-N 3.35Å; E1007-S1009 PolarHBondContact O-N 2.66Å; E1007-S1009 VanDerWaalsContact O-N 3.1Å; E1007-S1009 WeakPolarHBondContact OE1-CB 3.45Å; E1007-S1009 PolarHBondContact OE1-OG 3.49Å; S1009-E1011 VanDerWaalsContact C-N 3.31Å; S1009-E1011 PolarHBondContact O-N 2.94Å; S1009-V1012 PolarHBondContact O-N 3.1Å; S1009-V1013 WeakPolarHBondContact O-CB 3.49Å; S1009-V1013 VanDerWaalsContact O-CG2 3.29Å; S1009-V1013 WeakPolarHBondContact O-CG2 3.4Å; S1009-V1013 PolarHBondContact O-N 3.27Å |
| 1010 | F | 94.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 2% | 0.022 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -54.2 | -47.9 | 177.7 | 162.5 | -99 | 0 | 0 | 0 | 111.5 | L899 V1012 M1014 D1040 L1041 Q1044 | L899-F1010 HydrophobicContact CD2-CE1 3.47Å; L899-F1010 VanDerWaalsContact CD2-CE1 3.47Å; L899-F1010 HydrophobicContact CD2-CZ 3.61Å; L899-F1010 HydrophobicContact CG-CE1 4.38Å; F1010-V1012 PolarHBondContact O-N 2.93Å; F1010-M1014 HydrophobicContact CD2-CB 4.41Å; F1010-M1014 HydrophobicContact CE2-CB 3.95Å; F1010-M1014 HydrophobicContact CE2-CG 4.05Å; F1010-M1014 HydrophobicContact CE2-SD 4.38Å; F1010-M1014 HydrophobicContact CZ-CB 4.17Å; F1010-M1014 HydrophobicContact CZ-CG 4.15Å; F1010-M1014 WeakPolarHBondContact O-CB 3.43Å; F1010-M1014 PolarHBondContact O-N 3.1Å; F1010-D1040 HydrophobicContact CB-CB 4.36Å; F1010-D1040 HydrophobicContact CD2-CB 3.93Å; F1010-D1040 HydrophobicContact CG-CB 4.22Å; F1010-L1041 HydrophobicContact CD2-CD2 4.25Å; F1010-Q1044 HydrophobicContact CE2-CB 4.12Å; F1010-Q1044 HydrophobicContact CE2-CG 3.57Å; F1010-Q1044 HydrophobicContact CZ-CB 4.48Å; F1010-Q1044 HydrophobicContact CZ-CG 3.63Å |
| 1011 | E | 95.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 21.2 Ų | 21.2 | 5% | 0.051 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -52.5 | -53.8 | 180 | 179.4 | -173.6 | 158.2 | 0 | 0 | 112 | K881 S886 D887 S1009 D1015 | K881-E1011 IonicContact NZ-OE1 3.62Å; K881-E1011 PolarHBondContact NZ-OE1 3.13Å; K881-E1011 IonicContact NZ-OE2 3.63Å; S886-E1011 WeakPolarHBondContact CA-OE2 3.18Å; S886-E1011 WeakPolarHBondContact CB-OE2 3.36Å; D887-E1011 HydrophobicContact CB-CG 4.43Å; D887-E1011 WeakPolarHBondContact CB-OE2 3.5Å; D887-E1011 PolarHBondContact N-OE2 2.84Å; S1009-E1011 VanDerWaalsContact C-N 3.31Å; S1009-E1011 PolarHBondContact O-N 2.94Å; E1011-D1015 WeakPolarHBondContact O-CB 3.48Å; E1011-D1015 PolarHBondContact O-N 3.33Å |
| 1012 | V | 96.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 18.4 Ų | 18.4 | 7% | 0.067 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -76 | -44.4 | -171.4 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | E1006 E1007 S1009 F1010 M1014 D1015 I1016 | E1006-V1012 HydrophobicContact CB-CG1 3.78Å; E1006-V1012 HydrophobicContact CG-CG1 4.31Å; E1007-V1012 HydrophobicContact CB-CG2 4.21Å; E1007-V1012 WeakPolarHBondContact O-CB 3.36Å; E1007-V1012 VanDerWaalsContact O-CG1 3.26Å; E1007-V1012 WeakPolarHBondContact O-CG1 3.26Å; S1009-V1012 PolarHBondContact O-N 3.1Å; F1010-V1012 PolarHBondContact O-N 2.93Å; V1012-M1014 VanDerWaalsContact C-N 3.29Å; V1012-M1014 PolarHBondContact O-N 3.14Å; V1012-D1015 PolarHBondContact O-N 3.18Å; V1012-I1016 HydrophobicContact CG1-CD1 3.95Å; V1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; V1012-I1016 PolarHBondContact O-N 3.48Å |
| 1013 | V | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 177.9 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | I986 S1009 Y1017 I1025 I1037 L1041 | I986-V1013 HydrophobicContact CD1-CG1 4.36Å; I986-V1013 HydrophobicContact CD1-CG2 4.16Å; S1009-V1013 WeakPolarHBondContact O-CB 3.49Å; S1009-V1013 VanDerWaalsContact O-CG2 3.29Å; S1009-V1013 WeakPolarHBondContact O-CG2 3.4Å; S1009-V1013 PolarHBondContact O-N 3.27Å; V1013-Y1017 VanDerWaalsContact O-CB 3.27Å; V1013-Y1017 WeakPolarHBondContact O-CB 3.31Å; V1013-Y1017 PolarHBondContact O-N 3.03Å; V1013-I1025 HydrophobicContact CG1-CD1 4.19Å; V1013-I1037 HydrophobicContact CB-CD1 4.23Å; V1013-I1037 HydrophobicContact CG1-CD1 4.46Å; V1013-I1037 HydrophobicContact CG2-CD1 3.92Å; V1013-L1041 HydrophobicContact CB-CD2 4.47Å; V1013-L1041 HydrophobicContact CG1-CD1 4.14Å; V1013-L1041 HydrophobicContact CG1-CD2 3.98Å |
| 1014 | M | 96.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 4% | 0.044 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.5 | -40.8 | 176.2 | -167.4 | 68.3 | -173.7 | 0 | 0 | 112 | F1010 V1012 I1016 Y1017 E1018 L1041 Q1044 A1046 | F1010-M1014 HydrophobicContact CD2-CB 4.41Å; F1010-M1014 HydrophobicContact CE2-CB 3.95Å; F1010-M1014 HydrophobicContact CE2-CG 4.05Å; F1010-M1014 HydrophobicContact CE2-SD 4.38Å; F1010-M1014 HydrophobicContact CZ-CB 4.17Å; F1010-M1014 HydrophobicContact CZ-CG 4.15Å; F1010-M1014 WeakPolarHBondContact O-CB 3.43Å; F1010-M1014 PolarHBondContact O-N 3.1Å; V1012-M1014 VanDerWaalsContact C-N 3.29Å; V1012-M1014 PolarHBondContact O-N 3.14Å; M1014-I1016 VanDerWaalsContact C-N 3.35Å; M1014-I1016 PolarHBondContact O-N 3.16Å; M1014-Y1017 HydrophobicContact CE-CD1 4.43Å; M1014-Y1017 PolarHBondContact O-N 3.37Å; M1014-Y1017 HydrophobicContact SD-CD1 4.24Å; M1014-E1018 HydrophobicContact CE-CG 4.01Å; M1014-E1018 WeakPolarHBondContact CE-OE1 3.46Å; M1014-E1018 WeakPolarHBondContact O-CB 3.41Å; M1014-E1018 WeakPolarHBondContact O-CG 3.36Å; M1014-E1018 PolarHBondContact O-N 3.12Å; M1014-L1041 HydrophobicContact SD-CD2 4.38Å; M1014-Q1044 HydrophobicContact CE-CB 3.81Å; M1014-Q1044 HydrophobicContact SD-CB 4.11Å; M1014-A1046 HydrophobicContact SD-CB 4.19Å |
| 1015 | D | 96.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 174.9 | -83.9 | -13.5 | 0 | 0 | 0 | 111.9 | R902 R905 P912 E1011 V1012 M1019 | R902-D1015 IonicContact CZ-OD1 3.38Å; R902-D1015 IonicContact NH1-OD1 2.85Å; R902-D1015 PolarHBondContact NH1-OD1 3.34Å; R902-D1015 IonicContact NH1-OD2 3.28Å; R902-D1015 IonicContact NH2-OD1 3.82Å; R902-D1015 PolarHBondContact NH2-OD1 2.93Å; R905-D1015 IonicContact NH1-OD2 3.48Å; R905-D1015 IonicContact NH2-OD2 2.73Å; R905-D1015 PolarHBondContact NH2-OD2 3.16Å; P912-D1015 HydrophobicContact CG-CB 4.25Å; E1011-D1015 WeakPolarHBondContact O-CB 3.48Å; E1011-D1015 PolarHBondContact O-N 3.33Å; V1012-D1015 PolarHBondContact O-N 3.18Å; D1015-M1019 WeakPolarHBondContact O-CB 3.09Å; D1015-M1019 PolarHBondContact O-N 3.22Å; D1015-M1019 VanDerWaalsContact O-N 3.1Å |
| 1016 | I | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.7 | -46.8 | 176.3 | -65 | 165.8 | 0 | 0 | 0 | 110.7 | H933 I950 I984 I986 Y1004 E1006 V1012 M1014 E1018 M1019 E1020 | H933-I1016 WeakPolarHBondContact CE1-CG1 3.48Å; I950-I1016 HydrophobicContact CD1-CG2 4.2Å; I984-I1016 HydrophobicContact CG2-CG2 4.49Å; I986-I1016 HydrophobicContact CD1-CB 4.28Å; I986-I1016 HydrophobicContact CD1-CD1 3.74Å; I986-I1016 HydrophobicContact CD1-CG2 4.13Å; I986-I1016 HydrophobicContact CG1-CD1 4.06Å; I986-I1016 HydrophobicContact CG2-CD1 4.34Å; Y1004-I1016 HydrophobicContact CD1-CD1 3.6Å; Y1004-I1016 HydrophobicContact CD1-CG1 3.79Å; Y1004-I1016 HydrophobicContact CD1-CG2 4.45Å; Y1004-I1016 HydrophobicContact CD2-CD1 4.41Å; Y1004-I1016 HydrophobicContact CD2-CG2 4.03Å; Y1004-I1016 HydrophobicContact CE1-CD1 4.28Å; Y1004-I1016 HydrophobicContact CE1-CG1 3.96Å; Y1004-I1016 HydrophobicContact CE1-CG2 4.3Å; Y1004-I1016 HydrophobicContact CE2-CG2 3.87Å; Y1004-I1016 HydrophobicContact CG-CD1 3.67Å; Y1004-I1016 HydrophobicContact CG-CG1 4.2Å; Y1004-I1016 HydrophobicContact CG-CG2 4.32Å; E1006-I1016 HydrophobicContact CB-CD1 4.47Å; V1012-I1016 HydrophobicContact CG1-CD1 3.95Å; V1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; V1012-I1016 PolarHBondContact O-N 3.48Å; M1014-I1016 VanDerWaalsContact C-N 3.35Å; M1014-I1016 PolarHBondContact O-N 3.16Å; I1016-E1018 PolarHBondContact O-N 3.14Å; I1016-M1019 PolarHBondContact O-N 3.2Å; I1016-E1020 HydrophobicContact CG2-CG 4.11Å; I1016-E1020 VanDerWaalsContact O-CB 3.29Å; I1016-E1020 WeakPolarHBondContact O-CB 3.49Å; I1016-E1020 WeakPolarHBondContact O-CG 3.36Å; I1016-E1020 PolarHBondContact O-N 3.1Å |
| 1017 | Y | 97 | Very high | 95.5 | Very high | 40 Ų | 40 | 20.7 Ų | 20.7 | 16% | 0.157 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | -179.4 | 172.5 | -100.5 | 0 | 0 | 0 | 112.8 | I950 V1013 M1014 N1021 S1022 I1025 A1046 K1047 | I950-Y1017 HydrophobicContact CD1-CD2 4.27Å; V1013-Y1017 VanDerWaalsContact O-CB 3.27Å; V1013-Y1017 WeakPolarHBondContact O-CB 3.31Å; V1013-Y1017 PolarHBondContact O-N 3.03Å; M1014-Y1017 HydrophobicContact CE-CD1 4.43Å; M1014-Y1017 PolarHBondContact O-N 3.37Å; M1014-Y1017 HydrophobicContact SD-CD1 4.24Å; Y1017-N1021 PolarHBondContact O-N 3.48Å; Y1017-S1022 PolarHBondContact O-N 2.99Å; Y1017-I1025 HydrophobicContact CD2-CD1 3.7Å; Y1017-I1025 HydrophobicContact CD2-CG1 3.68Å; Y1017-I1025 HydrophobicContact CE2-CD1 4.31Å; Y1017-I1025 HydrophobicContact CE2-CG1 4.14Å; Y1017-I1025 HydrophobicContact CG-CD1 3.97Å; Y1017-I1025 HydrophobicContact CG-CG1 4.43Å; Y1017-A1046 HydrophobicContact CD1-CB 4.07Å; Y1017-A1046 HydrophobicContact CE1-CB 3.86Å; Y1017-K1047 PolarHBondContact OH-N 2.92Å |
| 1018 | E | 94.7 | Very high | 95.5 | Very high | 62 Ų | 62 | 20.1 Ų | 20.1 | 29% | 0.29 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 177 | -74.7 | 177.1 | -160.1 | 0 | 0 | 111.7 | R902 Q906 R911 M1014 I1016 N1021 | R902-E1018 IonicContact CZ-OE1 3.46Å; R902-E1018 IonicContact NE-OE1 3.67Å; R902-E1018 IonicContact NH2-OE1 2.87Å; R902-E1018 PolarHBondContact NH2-OE1 2.99Å; R902-E1018 IonicContact NH2-OE2 3.84Å; R902-E1018 PolarHBondContact NH2-OE2 2.82Å; Q906-E1018 PolarHBondContact NE2-OE2 3.01Å; R911-E1018 IonicContact NH1-OE2 3.25Å; R911-E1018 PolarHBondContact NH1-OE2 3.06Å; R911-E1018 VanDerWaalsContact NH1-OE2 3.07Å; M1014-E1018 HydrophobicContact CE-CG 4.01Å; M1014-E1018 WeakPolarHBondContact CE-OE1 3.46Å; M1014-E1018 WeakPolarHBondContact O-CB 3.41Å; M1014-E1018 WeakPolarHBondContact O-CG 3.36Å; M1014-E1018 PolarHBondContact O-N 3.12Å; I1016-E1018 PolarHBondContact O-N 3.14Å; E1018-N1021 PolarHBondContact O-N 3.49Å |
| 1019 | M | 94.3 | Very high | 95.6 | Very high | 37 Ų | 37 | 19.8 Ų | 19.8 | 18% | 0.182 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.3 | -43.3 | -174.9 | -166.4 | -176.5 | -48.6 | 0 | 0 | 112.2 | P912 V914 H940 F944 D1015 I1016 N1021 | P912-M1019 HydrophobicContact CG-CE 4.2Å; P912-M1019 WeakPolarHBondContact O-CE 3.23Å; V914-M1019 HydrophobicContact CG2-CE 4.14Å; V914-M1019 HydrophobicContact CG2-SD 3.34Å; V914-M1019 WeakPolarHBondContact CG2-SD 3.21Å; H940-M1019 PolarHBondContact CE1-SD 3.25Å; F944-M1019 WeakPolarHBondContact CB-O 3.31Å; F944-M1019 HydrophobicContact CD1-CG 3.93Å; F944-M1019 HydrophobicContact CD1-SD 4.48Å; F944-M1019 HydrophobicContact CD2-CG 4.24Å; F944-M1019 HydrophobicContact CE1-CG 3.66Å; F944-M1019 HydrophobicContact CE1-SD 3.62Å; F944-M1019 HydrophobicContact CE2-CG 3.99Å; F944-M1019 HydrophobicContact CE2-SD 3.98Å; F944-M1019 HydrophobicContact CG-CG 4.22Å; F944-M1019 WeakPolarHBondContact CG-O 3.46Å; F944-M1019 HydrophobicContact CZ-CG 3.7Å; F944-M1019 HydrophobicContact CZ-SD 3.33Å; F944-M1019 WeakPolarHBondContact CZ-SD 2.98Å; D1015-M1019 WeakPolarHBondContact O-CB 3.09Å; D1015-M1019 PolarHBondContact O-N 3.22Å; D1015-M1019 VanDerWaalsContact O-N 3.1Å; I1016-M1019 PolarHBondContact O-N 3.2Å; M1019-N1021 VanDerWaalsContact C-N 3.28Å; M1019-N1021 PolarHBondContact O-N 2.65Å |
| 1020 | E | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -77.9 | -10.5 | 179.2 | -72.7 | -79.2 | -171.5 | 0 | 0 | 113.5 | F944 G946 H948 I984 R1002 Y1004 I1016 S1022 | F944-E1020 HydrophobicContact CD1-CG 4.15Å; F944-E1020 HydrophobicContact CE1-CG 4.47Å; G946-E1020 WeakPolarHBondContact CA-O 3.46Å; H948-E1020 IonicContact ND1-OE2 2.68Å; I984-E1020 HydrophobicContact CD1-CB 3.73Å; I984-E1020 HydrophobicContact CD1-CG 3.57Å; R1002-E1020 WeakPolarHBondContact CD-OE1 3.41Å; R1002-E1020 IonicContact CZ-OE1 2.81Å; R1002-E1020 IonicContact CZ-OE2 3.21Å; R1002-E1020 IonicContact NE-OE1 3.07Å; R1002-E1020 IonicContact NH1-OE1 3.95Å; R1002-E1020 PolarHBondContact NH1-OE1 3.3Å; R1002-E1020 IonicContact NH1-OE2 3.7Å; R1002-E1020 PolarHBondContact NH1-OE2 2.84Å; Y1004-E1020 HydrophobicContact CE2-CG 4.28Å; Y1004-E1020 WeakPolarHBondContact CE2-OE1 3.5Å; Y1004-E1020 PolarHBondContact OH-OE1 3.25Å; I1016-E1020 HydrophobicContact CG2-CG 4.11Å; I1016-E1020 VanDerWaalsContact O-CB 3.29Å; I1016-E1020 WeakPolarHBondContact O-CB 3.49Å; I1016-E1020 WeakPolarHBondContact O-CG 3.36Å; I1016-E1020 PolarHBondContact O-N 3.1Å; E1020-S1022 VanDerWaalsContact C-N 3.26Å; E1020-S1022 WeakPolarHBondContact CB-OG 3.19Å; E1020-S1022 PolarHBondContact O-N 3.05Å |
| 1021 | N | 93.4 | Very high | 95.2 | Very high | 124 Ų | 124 | 19 Ų | 19 | 66% | 0.663 | 10% | 0.095 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46 | 52.7 | -173.1 | -172.3 | 36.8 | 0 | 0 | 0 | 111.6 | Y1017 E1018 M1019 | Y1017-N1021 PolarHBondContact O-N 3.48Å; E1018-N1021 PolarHBondContact O-N 3.49Å; M1019-N1021 VanDerWaalsContact C-N 3.28Å; M1019-N1021 PolarHBondContact O-N 2.65Å |
| 1022 | S | 94.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 6% | 0.056 | 10% | 0.096 | C | C | . | . | trans | -71.8 | 149.7 | -170.9 | -66.6 | 0 | 0 | 0 | 0 | 112.9 | H948 I950 Y1017 E1020 G1024 | H948-S1022 CarbonylContact O-C 3.59Å; H948-S1022 WeakPolarHBondContact O-CA 3.38Å; H948-S1022 WeakPolarHBondContact O-CB 3.49Å; I950-S1022 WeakPolarHBondContact CD1-OG 3.47Å; I950-S1022 WeakPolarHBondContact CG1-OG 3.37Å; Y1017-S1022 PolarHBondContact O-N 2.99Å; E1020-S1022 VanDerWaalsContact C-N 3.26Å; E1020-S1022 WeakPolarHBondContact CB-OG 3.19Å; E1020-S1022 PolarHBondContact O-N 3.05Å; S1022-G1024 PolarHBondContact O-N 2.81Å | ||
| 1023 | E | 91.9 | Very high | 94.5 | Very high | 84 Ų | 84 | 19.6 Ų | 19.6 | 39% | 0.393 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -67.5 | -22.2 | 179.2 | -67.2 | -164.3 | 162.9 | 0 | 0 | 113.6 | H948 R981 K1047 | H948-E1023 PolarHBondContact O-N 3.04Å; R981-E1023 IonicContact CZ-OE2 3.17Å; R981-E1023 IonicContact NH1-OE2 2.85Å; R981-E1023 PolarHBondContact NH1-OE2 2.83Å; E1023-K1047 WeakPolarHBondContact O-CD 3.44Å; E1023-K1047 WeakPolarHBondContact O-CE 3.49Å; E1023-K1047 PolarHBondContact O-NZ 2.83Å |
| 1024 | G | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I950 S1022 K1047 | I950-G1024 PolarHBondContact N-O 3.5Å; S1022-G1024 PolarHBondContact O-N 2.81Å; G1024-K1047 CarbonylContact C-O 3.53Å; G1024-K1047 WeakPolarHBondContact CA-O 3.45Å |
| 1025 | I | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.4 | -173.7 | -50.5 | 173.2 | 0 | 0 | 0 | 109.7 | I950 V952 V1013 Y1017 L1027 L1041 A1046 K1047 V1048 L1049 | I950-I1025 HydrophobicContact CB-CG1 4.35Å; I950-I1025 HydrophobicContact CB-CG2 4.37Å; I950-I1025 HydrophobicContact CD1-CG1 4.35Å; I950-I1025 HydrophobicContact CG2-CG2 4.11Å; I950-I1025 CarbonylContact O-C 3.57Å; V952-I1025 HydrophobicContact CG2-CG2 3.67Å; V1013-I1025 HydrophobicContact CG1-CD1 4.19Å; Y1017-I1025 HydrophobicContact CD2-CD1 3.7Å; Y1017-I1025 HydrophobicContact CD2-CG1 3.68Å; Y1017-I1025 HydrophobicContact CE2-CD1 4.31Å; Y1017-I1025 HydrophobicContact CE2-CG1 4.14Å; Y1017-I1025 HydrophobicContact CG-CD1 3.97Å; Y1017-I1025 HydrophobicContact CG-CG1 4.43Å; I1025-L1027 HydrophobicContact CG2-CD2 3.64Å; I1025-L1027 HydrophobicContact CG2-CG 4.21Å; I1025-L1041 HydrophobicContact CD1-CD1 4.16Å; I1025-L1041 HydrophobicContact CD1-CD2 4.26Å; I1025-A1046 HydrophobicContact CD1-CB 4.05Å; I1025-K1047 PolarHBondContact N-O 2.73Å; I1025-V1048 CarbonylContact O-C 3.55Å; I1025-V1048 WeakPolarHBondContact O-CA 3.33Å; I1025-L1049 PolarHBondContact O-N 3.42Å |
| 1026 | I | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.7 | 172.3 | -59.6 | 176.7 | 0 | 0 | 0 | 108.6 | T949 I950 V951 V952 L976 M1029 L1049 I1256 | T949-I1026 HydrophobicContact CG2-CD1 3.85Å; T949-I1026 HydrophobicContact CG2-CG1 4.13Å; I950-I1026 PolarHBondContact O-N 3.08Å; V951-I1026 HydrophobicContact CG2-CB 4.48Å; V951-I1026 HydrophobicContact CG2-CD1 4.39Å; V952-I1026 PolarHBondContact N-O 3.28Å; V952-I1026 VanDerWaalsContact N-O 3.13Å; L976-I1026 HydrophobicContact CD1-CD1 4.16Å; I1026-M1029 HydrophobicContact CG2-CG 3.87Å; I1026-L1049 HydrophobicContact CG1-CB 3.99Å; I1026-L1049 HydrophobicContact CG1-CD1 4.14Å; I1026-I1256 HydrophobicContact CD1-CG2 3.8Å; I1026-I1256 HydrophobicContact CG1-CG2 3.9Å; I1026-I1256 HydrophobicContact CG2-CD1 4.3Å |
| 1027 | L | 96.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | -98.8 | -27.8 | 179.1 | -57.7 | 176.5 | 0 | 0 | 0 | 112.8 | V952 I1025 M1029 G1030 P1034 A1038 L1041 V1048 | V952-L1027 HydrophobicContact CB-CD2 4.18Å; V952-L1027 HydrophobicContact CG2-CD2 3.73Å; I1025-L1027 HydrophobicContact CG2-CD2 3.64Å; I1025-L1027 HydrophobicContact CG2-CG 4.21Å; L1027-M1029 PolarHBondContact O-N 3.44Å; L1027-G1030 PolarHBondContact O-N 2.71Å; L1027-P1034 HydrophobicContact CB-CB 4.02Å; L1027-P1034 HydrophobicContact CD2-CB 3.91Å; L1027-A1038 HydrophobicContact CD1-CB 3.51Å; L1027-L1041 HydrophobicContact CD1-CD1 4.19Å; L1027-L1041 HydrophobicContact CD2-CD1 4.07Å; L1027-V1048 HydrophobicContact CD1-CG1 3.91Å; L1027-V1048 HydrophobicContact CD1-CG2 4.08Å; L1027-V1048 HydrophobicContact CG-CG1 4.2Å | ||
| 1028 | S | 95.7 | Very high | 93 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 6% | 0.056 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -1.5 | -167.3 | 56.9 | 0 | 0 | 0 | 0 | 115.8 | R1232 V1233 | S1028-R1232 WeakPolarHBondContact O-CB 3.5Å; S1028-V1233 WeakPolarHBondContact O-CG2 3.41Å; S1028-V1233 PolarHBondContact O-N 3.27Å |
| 1029 | M | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -30.8 | -179.1 | -58.1 | -61.2 | 170.5 | 0 | 0 | 113.3 | V951 C968 A969 C972 I1026 L1027 G1031 P1212 V1233 V1249 A1252 I1256 | V951-M1029 HydrophobicContact CG1-CB 4.48Å; C968-M1029 HydrophobicContact CB-CB 4.49Å; C968-M1029 HydrophobicContact CB-SD 4.36Å; A969-M1029 HydrophobicContact CB-CB 4.46Å; C972-M1029 HydrophobicContact CB-CE 4.17Å; C972-M1029 HydrophobicContact CB-CG 3.85Å; C972-M1029 HydrophobicContact CB-SD 4.17Å; I1026-M1029 HydrophobicContact CG2-CG 3.87Å; L1027-M1029 PolarHBondContact O-N 3.44Å; M1029-G1031 PolarHBondContact O-N 3.06Å; M1029-P1212 HydrophobicContact CE-CG 4.3Å; M1029-V1233 WeakPolarHBondContact O-CG2 3.45Å; M1029-V1233 HydrophobicContact SD-CG1 3.66Å; M1029-V1249 HydrophobicContact SD-CG1 4.24Å; M1029-A1252 HydrophobicContact CE-CB 4.22Å; M1029-I1256 HydrophobicContact CE-CD1 3.56Å |
| 1030 | G | 90.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -91.3 | 14.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S954 L1027 P1034 | S954-G1030 WeakPolarHBondContact CA-O 3.49Å; L1027-G1030 PolarHBondContact O-N 2.71Å; G1030-P1034 WeakPolarHBondContact O-CD 3.49Å |
| 1031 | G | 90.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | 81.3 | -145.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1029 R1232 | M1029-G1031 PolarHBondContact O-N 3.06Å; G1031-R1232 VanDerWaalsContact C-CD 3.45Å; G1031-R1232 WeakPolarHBondContact O-CD 3.34Å | ||
| 1032 | Q | 88.1 | Confident | 91.8 | Very high | 18 Ų | 18 | 18.8 Ų | 18.8 | 8% | 0.084 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -76.7 | -34.5 | -172.4 | -165.8 | 57.5 | 38.1 | 0 | 0 | 113.2 | N1035 N1036 E1060 | Q1032-N1035 WeakPolarHBondContact O-CB 3.41Å; Q1032-N1035 PolarHBondContact O-N 2.93Å; Q1032-N1036 PolarHBondContact NE2-OD1 2.74Å; Q1032-N1036 PolarHBondContact O-N 3.36Å; Q1032-N1036 PolarHBondContact O-OD1 2.89Å; Q1032-E1060 PolarHBondContact NE2-OE1 2.97Å |
| 1033 | L | 90.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | -174.9 | 176 | 67.9 | 0 | 0 | 0 | 112.3 | Y988 I1008 N1036 | Y988-L1033 HydrophobicContact CE1-CD2 4.49Å; Y988-L1033 VanDerWaalsContact OH-CD2 3.3Å; Y988-L1033 WeakPolarHBondContact OH-CD2 3.4Å; I1008-L1033 HydrophobicContact CB-CD2 3.92Å; I1008-L1033 HydrophobicContact CB-CG 4.26Å; I1008-L1033 HydrophobicContact CD1-CD2 4.03Å; I1008-L1033 HydrophobicContact CG2-CD2 4.17Å; I1008-L1033 HydrophobicContact CG2-CG 3.98Å; L1033-N1036 PolarHBondContact O-N 2.71Å |
| 1034 | P | 93 | Very high | 91 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 173.4 | -22.7 | 35.5 | 0 | 0 | 0 | 113.7 | V952 G953 L1027 G1030 N1036 I1037 | V952-P1034 HydrophobicContact CB-CB 4.06Å; V952-P1034 HydrophobicContact CB-CG 4.14Å; V952-P1034 HydrophobicContact CG1-CB 3.89Å; V952-P1034 HydrophobicContact CG1-CG 3.76Å; G953-P1034 VanDerWaalsContact O-CG 3.24Å; G953-P1034 WeakPolarHBondContact O-CG 3.18Å; L1027-P1034 HydrophobicContact CB-CB 4.02Å; L1027-P1034 HydrophobicContact CD2-CB 3.91Å; G1030-P1034 WeakPolarHBondContact O-CD 3.49Å; P1034-N1036 VanDerWaalsContact C-N 3.27Å; P1034-N1036 PolarHBondContact O-N 2.76Å; P1034-I1037 WeakPolarHBondContact O-CG1 3.17Å; P1034-I1037 PolarHBondContact O-N 3.41Å |
| 1035 | N | 90 | Very high | 90.5 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.6 | -37.6 | 177.2 | -92.6 | 25.2 | 0 | 0 | 0 | 112.2 | Q1032 I1037 A1038 I1056 E1060 | Q1032-N1035 WeakPolarHBondContact O-CB 3.41Å; Q1032-N1035 PolarHBondContact O-N 2.93Å; N1035-I1037 PolarHBondContact O-N 2.92Å; N1035-I1037 VanDerWaalsContact O-N 3.11Å; N1035-A1038 WeakPolarHBondContact O-CB 3.46Å; N1035-A1038 PolarHBondContact O-N 3.12Å; N1035-I1056 HydrophobicContact CB-CG2 4.41Å; N1035-E1060 WeakPolarHBondContact CB-OE1 3.34Å; N1035-E1060 PolarHBondContact ND2-OE1 2.72Å |
| 1036 | N | 86.8 | Confident | 90.2 | Very high | 78 Ų | 78 | 30.1 Ų | 30.1 | 42% | 0.417 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.8 | -179.3 | -70.7 | -12.6 | 0 | 0 | 0 | 113.5 | Q1032 L1033 P1034 | Q1032-N1036 PolarHBondContact NE2-OD1 2.74Å; Q1032-N1036 PolarHBondContact O-N 3.36Å; Q1032-N1036 PolarHBondContact O-OD1 2.89Å; L1033-N1036 PolarHBondContact O-N 2.71Å; P1034-N1036 VanDerWaalsContact C-N 3.27Å; P1034-N1036 PolarHBondContact O-N 2.76Å |
| 1037 | I | 91.2 | Very high | 89.9 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.077 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 0.5 | 177.7 | 62.3 | 168.3 | 0 | 0 | 0 | 113.4 | I1008 V1013 P1034 N1035 M1039 D1040 L1041 | I1008-I1037 HydrophobicContact CG2-CD1 4.26Å; V1013-I1037 HydrophobicContact CB-CD1 4.23Å; V1013-I1037 HydrophobicContact CG1-CD1 4.46Å; V1013-I1037 HydrophobicContact CG2-CD1 3.92Å; P1034-I1037 WeakPolarHBondContact O-CG1 3.17Å; P1034-I1037 PolarHBondContact O-N 3.41Å; N1035-I1037 PolarHBondContact O-N 2.92Å; N1035-I1037 VanDerWaalsContact O-N 3.11Å; I1037-M1039 VanDerWaalsContact C-N 3.35Å; I1037-M1039 PolarHBondContact O-N 2.99Å; I1037-D1040 PolarHBondContact O-N 3.26Å; I1037-D1040 VanDerWaalsContact O-N 3.15Å; I1037-L1041 HydrophobicContact CD1-CD1 3.95Å; I1037-L1041 HydrophobicContact CD1-CG 4.5Å; I1037-L1041 HydrophobicContact CG1-CD1 4.03Å; I1037-L1041 WeakPolarHBondContact O-CG 3.33Å; I1037-L1041 PolarHBondContact O-N 2.82Å |
| 1038 | A | 91.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.2 | -44.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1027 N1035 H1042 P1053 I1056 | L1027-A1038 HydrophobicContact CD1-CB 3.51Å; N1035-A1038 WeakPolarHBondContact O-CB 3.46Å; N1035-A1038 PolarHBondContact O-N 3.12Å; A1038-H1042 VanDerWaalsContact O-CB 3.28Å; A1038-H1042 WeakPolarHBondContact O-CB 3.39Å; A1038-H1042 PolarHBondContact O-N 2.86Å; A1038-P1053 HydrophobicContact CB-CB 4.18Å; A1038-P1053 HydrophobicContact CB-CG 4.49Å; A1038-I1056 HydrophobicContact CB-CD1 4.21Å |
| 1039 | M | 86.3 | Confident | 89.7 | Confident | 42 Ų | 42 | 37.7 Ų | 37.7 | 21% | 0.207 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.5 | -33.4 | 178.8 | -76.3 | -59.4 | -61.5 | 0 | 0 | 112.6 | I1037 H1042 R1043 P1053 D1057 | I1037-M1039 VanDerWaalsContact C-N 3.35Å; I1037-M1039 PolarHBondContact O-N 2.99Å; M1039-H1042 PolarHBondContact O-N 3.36Å; M1039-R1043 WeakPolarHBondContact O-CB 3.49Å; M1039-R1043 WeakPolarHBondContact O-CD 3.32Å; M1039-R1043 WeakPolarHBondContact O-CG 3.38Å; M1039-R1043 PolarHBondContact O-N 3.49Å; M1039-P1053 HydrophobicContact SD-CB 3.97Å; M1039-D1057 HydrophobicContact CG-CB 4.05Å; M1039-D1057 HydrophobicContact SD-CB 4.07Å |
| 1040 | D | 87.1 | Confident | 89.6 | Confident | 48 Ų | 48 | 38.8 Ų | 38.8 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.4 | -41.5 | 179 | -65.2 | -25.4 | 0 | 0 | 0 | 111 | F1010 I1037 R1043 Q1044 | F1010-D1040 HydrophobicContact CB-CB 4.36Å; F1010-D1040 HydrophobicContact CD2-CB 3.93Å; F1010-D1040 HydrophobicContact CG-CB 4.22Å; I1037-D1040 PolarHBondContact O-N 3.26Å; I1037-D1040 VanDerWaalsContact O-N 3.15Å; D1040-R1043 PolarHBondContact O-N 3.37Å; D1040-R1043 IonicContact OD1-NH1 3.89Å; D1040-R1043 PolarHBondContact OD1-NH1 3.03Å; D1040-Q1044 PolarHBondContact O-N 3.03Å |
| 1041 | L | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 170.8 | -70.7 | 172.9 | 0 | 0 | 0 | 111.7 | F1010 V1013 M1014 I1025 L1027 I1037 R1043 Q1044 Q1045 A1046 | F1010-L1041 HydrophobicContact CD2-CD2 4.25Å; V1013-L1041 HydrophobicContact CB-CD2 4.47Å; V1013-L1041 HydrophobicContact CG1-CD1 4.14Å; V1013-L1041 HydrophobicContact CG1-CD2 3.98Å; M1014-L1041 HydrophobicContact SD-CD2 4.38Å; I1025-L1041 HydrophobicContact CD1-CD1 4.16Å; I1025-L1041 HydrophobicContact CD1-CD2 4.26Å; L1027-L1041 HydrophobicContact CD1-CD1 4.19Å; L1027-L1041 HydrophobicContact CD2-CD1 4.07Å; I1037-L1041 HydrophobicContact CD1-CD1 3.95Å; I1037-L1041 HydrophobicContact CD1-CG 4.5Å; I1037-L1041 HydrophobicContact CG1-CD1 4.03Å; I1037-L1041 WeakPolarHBondContact O-CG 3.33Å; I1037-L1041 PolarHBondContact O-N 2.82Å; L1041-R1043 VanDerWaalsContact C-N 3.34Å; L1041-R1043 PolarHBondContact O-N 3.42Å; L1041-Q1044 CarbonylContact O-C 3.34Å; L1041-Q1044 PolarHBondContact O-N 3.18Å; L1041-Q1044 VanDerWaalsContact O-N 3.11Å; L1041-Q1045 PolarHBondContact O-N 2.9Å; L1041-A1046 HydrophobicContact CB-CB 4.08Å; L1041-A1046 HydrophobicContact CD2-CB 4.33Å; L1041-A1046 WeakPolarHBondContact O-CB 3.3Å; L1041-A1046 PolarHBondContact O-N 3.43Å |
| 1042 | H | 86.9 | Confident | 89.6 | Confident | 70 Ų | 70 | 40.6 Ų | 40.6 | 32% | 0.324 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 178.6 | -178.6 | 73.6 | 0 | 0 | 0 | 112.6 | A1038 M1039 Q1044 Q1045 P1053 E1054 | A1038-H1042 VanDerWaalsContact O-CB 3.28Å; A1038-H1042 WeakPolarHBondContact O-CB 3.39Å; A1038-H1042 PolarHBondContact O-N 2.86Å; M1039-H1042 PolarHBondContact O-N 3.36Å; H1042-Q1044 PolarHBondContact O-N 2.81Å; H1042-Q1045 PolarHBondContact O-N 2.98Å; H1042-P1053 HydrophobicContact CB-CB 3.74Å; H1042-P1053 HydrophobicContact CB-CG 3.82Å; H1042-E1054 IonicContact CE1-OE1 3.06Å; H1042-E1054 PolarHBondContact CE1-OE1 3.09Å; H1042-E1054 IonicContact CE1-OE2 3.72Å; H1042-E1054 IonicContact NE2-OE1 2.9Å; H1042-E1054 PolarHBondContact NE2-OE1 3.49Å |
| 1043 | R | 82.8 | Confident | 89.7 | Confident | 95 Ų | 95 | 40 Ų | 40 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.5 | -26.8 | 177.7 | -74.8 | 165.7 | -178.7 | 153.7 | -2.6 | 112.7 | M1039 D1040 L1041 Q1045 | M1039-R1043 WeakPolarHBondContact O-CB 3.49Å; M1039-R1043 WeakPolarHBondContact O-CD 3.32Å; M1039-R1043 WeakPolarHBondContact O-CG 3.38Å; M1039-R1043 PolarHBondContact O-N 3.49Å; D1040-R1043 PolarHBondContact O-N 3.37Å; D1040-R1043 IonicContact OD1-NH1 3.89Å; D1040-R1043 PolarHBondContact OD1-NH1 3.03Å; L1041-R1043 VanDerWaalsContact C-N 3.34Å; L1041-R1043 PolarHBondContact O-N 3.42Å; R1043-Q1045 VanDerWaalsContact C-N 3.3Å |
| 1044 | Q | 85.2 | Confident | 89.4 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 18.5 | 173.6 | -61.9 | -61.6 | -41.1 | 0 | 0 | 112.9 | L899 F1010 M1014 D1040 L1041 H1042 A1046 | L899-Q1044 HydrophobicContact CD2-CG 4.49Å; F1010-Q1044 HydrophobicContact CE2-CB 4.12Å; F1010-Q1044 HydrophobicContact CE2-CG 3.57Å; F1010-Q1044 HydrophobicContact CZ-CB 4.48Å; F1010-Q1044 HydrophobicContact CZ-CG 3.63Å; M1014-Q1044 HydrophobicContact CE-CB 3.81Å; M1014-Q1044 HydrophobicContact SD-CB 4.11Å; D1040-Q1044 PolarHBondContact O-N 3.03Å; L1041-Q1044 CarbonylContact O-C 3.34Å; L1041-Q1044 PolarHBondContact O-N 3.18Å; L1041-Q1044 VanDerWaalsContact O-N 3.11Å; H1042-Q1044 PolarHBondContact O-N 2.81Å; Q1044-A1046 PolarHBondContact O-N 2.93Å |
| 1045 | Q | 85 | Confident | 89.2 | Confident | 182 Ų | 182 | 43 Ų | 43 | 85% | 0.85 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 20.9 | 175.9 | -52.4 | -174.8 | -41.6 | 0 | 0 | 114.6 | L1041 H1042 R1043 | L1041-Q1045 PolarHBondContact O-N 2.9Å; H1042-Q1045 PolarHBondContact O-N 2.98Å; R1043-Q1045 VanDerWaalsContact C-N 3.3Å |
| 1046 | A | 90.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | trans | -70.3 | 134.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | M1014 Y1017 I1025 L1041 Q1044 V1048 | M1014-A1046 HydrophobicContact SD-CB 4.19Å; Y1017-A1046 HydrophobicContact CD1-CB 4.07Å; Y1017-A1046 HydrophobicContact CE1-CB 3.86Å; I1025-A1046 HydrophobicContact CD1-CB 4.05Å; L1041-A1046 HydrophobicContact CB-CB 4.08Å; L1041-A1046 HydrophobicContact CD2-CB 4.33Å; L1041-A1046 WeakPolarHBondContact O-CB 3.3Å; L1041-A1046 PolarHBondContact O-N 3.43Å; Q1044-A1046 PolarHBondContact O-N 2.93Å; A1046-V1048 PolarHBondContact O-N 3.47Å; A1046-V1048 VanDerWaalsContact O-N 3.16Å | ||
| 1047 | K | 91.6 | Very high | 89.1 | Confident | 117 Ų | 117 | 40.2 Ų | 40.2 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | trans | -80.4 | 99.6 | -177.1 | -177.5 | 172.8 | 163.4 | -142.9 | 0 | 110.8 | Y1017 E1023 G1024 I1025 L1049 | Y1017-K1047 PolarHBondContact OH-N 2.92Å; E1023-K1047 WeakPolarHBondContact O-CD 3.44Å; E1023-K1047 WeakPolarHBondContact O-CE 3.49Å; E1023-K1047 PolarHBondContact O-NZ 2.83Å; G1024-K1047 CarbonylContact C-O 3.53Å; G1024-K1047 WeakPolarHBondContact CA-O 3.45Å; I1025-K1047 PolarHBondContact N-O 2.73Å; K1047-L1049 HydrophobicContact CD-CD2 4.49Å; K1047-L1049 HydrophobicContact CG-CD2 4.23Å | ||
| 1048 | V | 94.1 | Very high | 88.8 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 15% | 0.152 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 126.6 | 172.2 | -179 | 0 | 0 | 0 | 0 | 109.7 | I1025 L1027 A1046 P1053 | I1025-V1048 CarbonylContact O-C 3.55Å; I1025-V1048 WeakPolarHBondContact O-CA 3.33Å; L1027-V1048 HydrophobicContact CD1-CG1 3.91Å; L1027-V1048 HydrophobicContact CD1-CG2 4.08Å; L1027-V1048 HydrophobicContact CG-CG1 4.2Å; A1046-V1048 PolarHBondContact O-N 3.47Å; A1046-V1048 VanDerWaalsContact O-N 3.16Å; V1048-P1053 HydrophobicContact CB-CG 3.77Å; V1048-P1053 HydrophobicContact CG1-CG 4.07Å; V1048-P1053 HydrophobicContact CG2-CG 3.74Å |
| 1049 | L | 94.4 | Very high | 88.7 | Confident | 27 Ų | 27 | 40.9 Ų | 40.9 | 14% | 0.141 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 145.9 | 178.9 | -58.2 | 178.9 | 0 | 0 | 0 | 110.9 | T949 I1025 I1026 K1047 I1256 | T949-L1049 HydrophobicContact CG2-CD1 3.84Å; I1025-L1049 PolarHBondContact O-N 3.42Å; I1026-L1049 HydrophobicContact CG1-CB 3.99Å; I1026-L1049 HydrophobicContact CG1-CD1 4.14Å; K1047-L1049 HydrophobicContact CD-CD2 4.49Å; K1047-L1049 HydrophobicContact CG-CD2 4.23Å; L1049-I1256 HydrophobicContact CB-CG2 3.74Å |
| 1050 | G | 93.8 | Very high | 88.7 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 93.4 | -136.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | T1210 | G1050-T1210 CarbonylContact C-O 3.52Å; G1050-T1210 VanDerWaalsContact C-O 3.24Å; G1050-T1210 VanDerWaalsContact CA-O 3.29Å; G1050-T1210 WeakPolarHBondContact CA-O 3.42Å |
| 1051 | T | 93.1 | Very high | 88.5 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -72.1 | 138 | -178.8 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | S1055 T1210 V1231 | T1051-S1055 VanDerWaalsContact CG2-CB 3.48Å; T1051-T1210 PolarHBondContact N-O 3.24Å; T1051-T1210 PolarHBondContact OG1-N 3.32Å; T1051-T1210 PolarHBondContact OG1-O 3.03Å; T1051-V1231 HydrophobicContact CG2-CB 4.44Å; T1051-V1231 HydrophobicContact CG2-CG1 3.41Å; T1051-V1231 VanDerWaalsContact CG2-CG1 3.41Å; T1051-V1231 WeakPolarHBondContact OG1-CG1 3.35Å |
| 1052 | S | 88.5 | Confident | 88 | Confident | 31 Ų | 31 | 38 Ų | 38 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | trans | -66.3 | 146.3 | -173.6 | 81.6 | 0 | 0 | 0 | 0 | 111.9 | E1054 S1055 I1056 | S1052-E1054 VanDerWaalsContact CB-OE2 3.27Å; S1052-E1054 WeakPolarHBondContact CB-OE2 3.47Å; S1052-E1054 PolarHBondContact O-N 3.47Å; S1052-E1054 VanDerWaalsContact O-N 3.15Å; S1052-E1054 PolarHBondContact OG-OE2 3.02Å; S1052-S1055 WeakPolarHBondContact O-CA 3.49Å; S1052-S1055 WeakPolarHBondContact O-CB 3.17Å; S1052-S1055 PolarHBondContact O-N 2.76Å; S1052-S1055 PolarHBondContact OG-N 2.79Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.5Å; S1052-I1056 PolarHBondContact O-N 2.71Å | ||
| 1053 | P | 90.1 | Very high | 87.5 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.1 | -32.6 | 175.9 | -32.2 | 40.8 | 0 | 0 | 0 | 114.3 | A1038 M1039 H1042 V1048 I1056 D1057 | A1038-P1053 HydrophobicContact CB-CB 4.18Å; A1038-P1053 HydrophobicContact CB-CG 4.49Å; M1039-P1053 HydrophobicContact SD-CB 3.97Å; H1042-P1053 HydrophobicContact CB-CB 3.74Å; H1042-P1053 HydrophobicContact CB-CG 3.82Å; V1048-P1053 HydrophobicContact CB-CG 3.77Å; V1048-P1053 HydrophobicContact CG1-CG 4.07Å; V1048-P1053 HydrophobicContact CG2-CG 3.74Å; P1053-I1056 WeakPolarHBondContact O-CB 2.99Å; P1053-I1056 PolarHBondContact O-N 2.81Å; P1053-D1057 PolarHBondContact O-N 2.97Å |
| 1054 | E | 84.1 | Confident | 87.4 | Confident | 66 Ų | 66 | 33.3 Ų | 33.3 | 31% | 0.308 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -70.2 | -34.9 | 175.4 | -53.1 | 94.7 | 142.6 | 0 | 0 | 112.8 | H1042 S1052 C1058 | H1042-E1054 IonicContact CE1-OE1 3.06Å; H1042-E1054 PolarHBondContact CE1-OE1 3.09Å; H1042-E1054 IonicContact CE1-OE2 3.72Å; H1042-E1054 IonicContact NE2-OE1 2.9Å; H1042-E1054 PolarHBondContact NE2-OE1 3.49Å; S1052-E1054 VanDerWaalsContact CB-OE2 3.27Å; S1052-E1054 WeakPolarHBondContact CB-OE2 3.47Å; S1052-E1054 PolarHBondContact O-N 3.47Å; S1052-E1054 VanDerWaalsContact O-N 3.15Å; S1052-E1054 PolarHBondContact OG-OE2 3.02Å; E1054-C1058 VanDerWaalsContact O-CB 3.28Å; E1054-C1058 WeakPolarHBondContact O-CB 3.33Å; E1054-C1058 PolarHBondContact O-N 2.89Å |
| 1055 | S | 87.7 | Confident | 87.5 | Confident | 12 Ų | 12 | 31 Ų | 31 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.5 | -35.4 | 172.5 | -75.9 | 0 | 0 | 0 | 0 | 111.5 | T1051 S1052 C1058 A1059 L1207 | T1051-S1055 VanDerWaalsContact CG2-CB 3.48Å; S1052-S1055 WeakPolarHBondContact O-CA 3.49Å; S1052-S1055 WeakPolarHBondContact O-CB 3.17Å; S1052-S1055 PolarHBondContact O-N 2.76Å; S1052-S1055 PolarHBondContact OG-N 2.79Å; S1055-C1058 PolarHBondContact O-N 3.46Å; S1055-A1059 WeakPolarHBondContact O-CB 3.18Å; S1055-A1059 PolarHBondContact O-N 3.33Å; S1055-L1207 WeakPolarHBondContact CB-O 3.44Å; S1055-L1207 PolarHBondContact OG-O 2.83Å |
| 1056 | I | 89.7 | Confident | 87.5 | Confident | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -52.8 | 170.7 | -62.8 | 172.7 | 0 | 0 | 0 | 109.5 | N1035 A1038 S1052 P1053 C1058 A1059 E1060 | N1035-I1056 HydrophobicContact CB-CG2 4.41Å; A1038-I1056 HydrophobicContact CB-CD1 4.21Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.5Å; S1052-I1056 PolarHBondContact O-N 2.71Å; P1053-I1056 WeakPolarHBondContact O-CB 2.99Å; P1053-I1056 PolarHBondContact O-N 2.81Å; I1056-C1058 VanDerWaalsContact C-N 3.31Å; I1056-C1058 PolarHBondContact O-N 2.9Å; I1056-A1059 PolarHBondContact O-N 2.9Å; I1056-A1059 VanDerWaalsContact O-N 3.1Å; I1056-E1060 HydrophobicContact CG2-CG 4.29Å; I1056-E1060 WeakPolarHBondContact O-CG 3.47Å; I1056-E1060 PolarHBondContact O-N 3.06Å |
| 1057 | D | 85.4 | Confident | 86.9 | Confident | 19 Ų | 19 | 25.3 Ų | 25.3 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -35.8 | 177.6 | 175.7 | 75.4 | 0 | 0 | 0 | 112.4 | M1039 P1053 A1059 N1061 K1064 Y1105 | M1039-D1057 HydrophobicContact CG-CB 4.05Å; M1039-D1057 HydrophobicContact SD-CB 4.07Å; P1053-D1057 PolarHBondContact O-N 2.97Å; D1057-A1059 VanDerWaalsContact C-N 3.31Å; D1057-A1059 PolarHBondContact O-N 3.25Å; D1057-N1061 WeakPolarHBondContact O-CB 3.47Å; D1057-N1061 PolarHBondContact O-N 3.14Å; D1057-K1064 WeakPolarHBondContact OD2-CD 3.35Å; D1057-K1064 WeakPolarHBondContact OD2-CE 3.17Å; D1057-K1064 IonicContact OD2-NZ 2.92Å; D1057-K1064 PolarHBondContact OD2-NZ 3.31Å; D1057-Y1105 WeakPolarHBondContact OD1-CE1 3.38Å; D1057-Y1105 PolarHBondContact OD1-OH 3.33Å |
| 1058 | C | 85.3 | Confident | 86.5 | Confident | 26 Ų | 26 | 20 Ų | 20 | 18% | 0.176 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.1 | -36.7 | 174.8 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | E1054 S1055 I1056 F1065 L1207 | E1054-C1058 VanDerWaalsContact O-CB 3.28Å; E1054-C1058 WeakPolarHBondContact O-CB 3.33Å; E1054-C1058 PolarHBondContact O-N 2.89Å; S1055-C1058 PolarHBondContact O-N 3.46Å; I1056-C1058 VanDerWaalsContact C-N 3.31Å; I1056-C1058 PolarHBondContact O-N 2.9Å; C1058-F1065 WeakPolarHBondContact O-CA 3.23Å; C1058-F1065 WeakPolarHBondContact O-CB 3.39Å; C1058-F1065 PolarHBondContact O-N 3.04Å; C1058-F1065 VanDerWaalsContact O-N 3.07Å; C1058-L1207 HydrophobicContact CB-CD2 4.27Å |
| 1059 | A | 89.2 | Confident | 86.1 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -78.3 | -40.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1055 I1056 D1057 L1207 C1229 V1231 | S1055-A1059 WeakPolarHBondContact O-CB 3.18Å; S1055-A1059 PolarHBondContact O-N 3.33Å; I1056-A1059 PolarHBondContact O-N 2.9Å; I1056-A1059 VanDerWaalsContact O-N 3.1Å; D1057-A1059 VanDerWaalsContact C-N 3.31Å; D1057-A1059 PolarHBondContact O-N 3.25Å; A1059-L1207 HydrophobicContact CB-CD1 4.1Å; A1059-L1207 HydrophobicContact CB-CD2 3.98Å; A1059-C1229 WeakPolarHBondContact CB-O 3.24Å; A1059-V1231 HydrophobicContact CB-CG2 3.42Å; A1059-V1231 VanDerWaalsContact CB-CG2 3.42Å |
| 1060 | E | 86.8 | Confident | 85.5 | Confident | 14 Ų | 14 | 22 Ų | 22 | 7% | 0.065 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -76.7 | -35 | -178.3 | -69.1 | -174.2 | 170.1 | 0 | 0 | 112.8 | Q1032 N1035 I1056 R1062 Y1105 V1106 | Q1032-E1060 PolarHBondContact NE2-OE1 2.97Å; N1035-E1060 WeakPolarHBondContact CB-OE1 3.34Å; N1035-E1060 PolarHBondContact ND2-OE1 2.72Å; I1056-E1060 HydrophobicContact CG2-CG 4.29Å; I1056-E1060 WeakPolarHBondContact O-CG 3.47Å; I1056-E1060 PolarHBondContact O-N 3.06Å; E1060-R1062 PolarHBondContact O-N 2.96Å; E1060-Y1105 HydrophobicContact CB-CD1 4.16Å; E1060-Y1105 WeakPolarHBondContact O-CA 3.2Å; E1060-V1106 HydrophobicContact CB-CB 4.45Å; E1060-V1106 HydrophobicContact CG-CB 4.44Å; E1060-V1106 PolarHBondContact O-N 3.48Å; E1060-V1106 VanDerWaalsContact O-N 3.12Å |
| 1061 | N | 82 | Confident | 84.5 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -76.6 | 110.6 | 176.3 | -176.4 | -44.6 | 0 | 0 | 0 | 110.2 | D1057 F1063 K1064 F1065 Y1105 | D1057-N1061 WeakPolarHBondContact O-CB 3.47Å; D1057-N1061 PolarHBondContact O-N 3.14Å; N1061-F1063 VanDerWaalsContact C-N 3.25Å; N1061-F1063 PolarHBondContact O-N 2.78Å; N1061-F1063 VanDerWaalsContact O-N 3.16Å; N1061-F1063 WeakPolarHBondContact OD1-CB 3.49Å; N1061-F1063 PolarHBondContact OD1-N 3.02Å; N1061-K1064 HydrophobicContact CB-CB 4.02Å; N1061-K1064 HydrophobicContact CB-CD 3.95Å; N1061-K1064 HydrophobicContact CB-CG 3.95Å; N1061-K1064 PolarHBondContact O-N 3.14Å; N1061-K1064 PolarHBondContact OD1-N 2.99Å; N1061-F1065 WeakPolarHBondContact O-CB 3.34Å; N1061-F1065 PolarHBondContact O-N 2.93Å; N1061-Y1105 HydrophobicContact CB-CE1 4Å; N1061-Y1105 HydrophobicContact CB-CE2 3.84Å; N1061-Y1105 VanDerWaalsContact ND2-CE2 3.34Å; N1061-Y1105 WeakPolarHBondContact ND2-CE2 3.42Å; N1061-Y1105 PolarHBondContact ND2-OH 2.86Å |
| 1062 | R | 82.4 | Confident | 83.8 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 5% | 0.045 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55 | -38.2 | -177.4 | -177 | 64.9 | -155.4 | 176.4 | 5.4 | 113.4 | E1060 S1066 R1102 S1104 V1138 I1227 | E1060-R1062 PolarHBondContact O-N 2.96Å; R1062-S1066 VanDerWaalsContact CZ-OG 3.25Å; R1062-S1066 PolarHBondContact NE-OG 2.9Å; R1062-S1066 PolarHBondContact NH2-OG 2.81Å; R1062-S1066 WeakPolarHBondContact O-CB 3.18Å; R1062-S1066 PolarHBondContact O-N 3.44Å; R1062-S1066 PolarHBondContact O-OG 2.76Å; R1062-R1102 VanDerWaalsContact NE-NH2 3.17Å; R1062-S1104 WeakPolarHBondContact CB-O 3.49Å; R1062-S1104 PolarHBondContact N-O 2.66Å; R1062-V1138 HydrophobicContact CB-CG2 4.34Å; R1062-V1138 HydrophobicContact CG-CB 4.28Å; R1062-V1138 HydrophobicContact CG-CG1 3.97Å; R1062-V1138 HydrophobicContact CG-CG2 4.16Å; R1062-I1227 PolarHBondContact NH1-O 3.29Å |
| 1063 | F | 75.5 | Confident | 83.5 | Confident | 28 Ų | 28 | 32 Ų | 32 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.5 | -49.4 | 178.1 | -178.7 | -79.7 | 0 | 0 | 0 | 110.5 | N1061 R1067 W1079 E1081 G2063 | N1061-F1063 VanDerWaalsContact C-N 3.25Å; N1061-F1063 PolarHBondContact O-N 2.78Å; N1061-F1063 VanDerWaalsContact O-N 3.16Å; N1061-F1063 WeakPolarHBondContact OD1-CB 3.49Å; N1061-F1063 PolarHBondContact OD1-N 3.02Å; F1063-R1067 VanDerWaalsContact O-CB 3.3Å; F1063-R1067 WeakPolarHBondContact O-CB 3.11Å; F1063-R1067 PolarHBondContact O-N 3.04Å; F1063-R1067 VanDerWaalsContact O-N 3.08Å; F1063-W1079 AromaticContact CD2-CH2 3.82Å; F1063-W1079 HydrophobicContact CD2-CH2 3.82Å; F1063-W1079 HydrophobicContact CD2-CZ3 4.18Å; F1063-W1079 HydrophobicContact CE2-CH2 4.19Å; F1063-W1079 HydrophobicContact CG-CH2 4.45Å; F1063-E1081 WeakPolarHBondContact CD2-OE2 3.47Å; F1063-G2063 VanDerWaalsContact CD1-C 3.43Å; F1063-G2063 WeakPolarHBondContact CE1-O 3.5Å |
| 1064 | K | 80.9 | Confident | 83.4 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 17% | 0.174 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 179.1 | -63.7 | -176.3 | 179.8 | -172.9 | 0 | 110.7 | D1057 N1061 M1068 E2060 | D1057-K1064 WeakPolarHBondContact OD2-CD 3.35Å; D1057-K1064 WeakPolarHBondContact OD2-CE 3.17Å; D1057-K1064 IonicContact OD2-NZ 2.92Å; D1057-K1064 PolarHBondContact OD2-NZ 3.31Å; N1061-K1064 HydrophobicContact CB-CB 4.02Å; N1061-K1064 HydrophobicContact CB-CD 3.95Å; N1061-K1064 HydrophobicContact CB-CG 3.95Å; N1061-K1064 PolarHBondContact O-N 3.14Å; N1061-K1064 PolarHBondContact OD1-N 2.99Å; K1064-M1068 VanDerWaalsContact O-CB 3.26Å; K1064-M1068 WeakPolarHBondContact O-CB 3.44Å; K1064-M1068 PolarHBondContact O-N 3.39Å; K1064-E2060 PolarHBondContact NZ-O 3.13Å |
| 1065 | F | 87.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.7 | -51 | 178.6 | -174.3 | -112.8 | 0 | 0 | 0 | 112.4 | C1058 N1061 R1067 M1068 L1069 L1203 V1226 C1229 | C1058-F1065 WeakPolarHBondContact O-CA 3.23Å; C1058-F1065 WeakPolarHBondContact O-CB 3.39Å; C1058-F1065 PolarHBondContact O-N 3.04Å; C1058-F1065 VanDerWaalsContact O-N 3.07Å; N1061-F1065 WeakPolarHBondContact O-CB 3.34Å; N1061-F1065 PolarHBondContact O-N 2.93Å; F1065-R1067 PolarHBondContact O-N 3.22Å; F1065-M1068 HydrophobicContact CD2-CE 3.45Å; F1065-M1068 VanDerWaalsContact CD2-CE 3.45Å; F1065-M1068 HydrophobicContact CE2-CE 3.58Å; F1065-M1068 HydrophobicContact CG-CE 4.46Å; F1065-M1068 VanDerWaalsContact O-CB 3.3Å; F1065-M1068 WeakPolarHBondContact O-CB 3.45Å; F1065-M1068 PolarHBondContact O-N 3.43Å; F1065-M1068 VanDerWaalsContact O-N 3.13Å; F1065-L1069 HydrophobicContact CD1-CD1 4Å; F1065-L1069 HydrophobicContact CD1-CG 4.48Å; F1065-L1069 HydrophobicContact CE1-CD1 3.54Å; F1065-L1069 HydrophobicContact CE1-CG 4.22Å; F1065-L1069 HydrophobicContact CE2-CD2 4.42Å; F1065-L1069 HydrophobicContact CZ-CD1 3.91Å; F1065-L1069 HydrophobicContact CZ-CD2 4.21Å; F1065-L1069 HydrophobicContact CZ-CG 4.26Å; F1065-L1069 WeakPolarHBondContact O-CG 3.46Å; F1065-L1069 PolarHBondContact O-N 3.37Å; F1065-L1203 HydrophobicContact CE2-CD1 4.04Å; F1065-L1203 HydrophobicContact CZ-CD1 4.48Å; F1065-V1226 HydrophobicContact CE1-CG1 3.92Å; F1065-V1226 HydrophobicContact CZ-CG1 3.64Å; F1065-C1229 HydrophobicContact CE2-CB 3.5Å; F1065-C1229 VanDerWaalsContact CE2-CB 3.5Å; F1065-C1229 HydrophobicContact CZ-CB 3.64Å |
| 1066 | S | 84.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | -176.8 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | R1062 M1068 L1069 D1070 Q1076 | R1062-S1066 VanDerWaalsContact CZ-OG 3.25Å; R1062-S1066 PolarHBondContact NE-OG 2.9Å; R1062-S1066 PolarHBondContact NH2-OG 2.81Å; R1062-S1066 WeakPolarHBondContact O-CB 3.18Å; R1062-S1066 PolarHBondContact O-N 3.44Å; R1062-S1066 PolarHBondContact O-OG 2.76Å; S1066-M1068 VanDerWaalsContact C-N 3.26Å; S1066-M1068 PolarHBondContact O-N 3.21Å; S1066-L1069 PolarHBondContact O-N 3.21Å; S1066-D1070 VanDerWaalsContact O-CG 3.29Å; S1066-D1070 PolarHBondContact O-N 2.62Å; S1066-Q1076 PolarHBondContact O-NE2 3.42Å; S1066-Q1076 PolarHBondContact OG-OE1 2.92Å |
| 1067 | R | 77.4 | Confident | 83.9 | Confident | 65 Ų | 65 | 33.8 Ų | 33.8 | 25% | 0.245 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 175.5 | -174.5 | -179.1 | -175.1 | 156 | 14.2 | 112.1 | F1063 F1065 R1071 N1932 R2059 | F1063-R1067 VanDerWaalsContact O-CB 3.3Å; F1063-R1067 WeakPolarHBondContact O-CB 3.11Å; F1063-R1067 PolarHBondContact O-N 3.04Å; F1063-R1067 VanDerWaalsContact O-N 3.08Å; F1065-R1067 PolarHBondContact O-N 3.22Å; R1067-R1071 WeakPolarHBondContact O-CB 3.43Å; R1067-R1071 PolarHBondContact O-N 2.84Å; R1067-N1932 PolarHBondContact NH2-OD1 3.05Å; R1067-N1932 VanDerWaalsContact NH2-OD1 3.15Å; R1067-R2059 VanDerWaalsContact NH1-CZ 3.27Å |
| 1068 | M | 83.6 | Confident | 84.1 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.034 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.2 | 176.2 | -164 | 76 | 0 | 0 | 111.5 | K1064 F1065 S1066 R1071 K1072 L1203 V1206 L1207 | K1064-M1068 VanDerWaalsContact O-CB 3.26Å; K1064-M1068 WeakPolarHBondContact O-CB 3.44Å; K1064-M1068 PolarHBondContact O-N 3.39Å; F1065-M1068 HydrophobicContact CD2-CE 3.45Å; F1065-M1068 VanDerWaalsContact CD2-CE 3.45Å; F1065-M1068 HydrophobicContact CE2-CE 3.58Å; F1065-M1068 HydrophobicContact CG-CE 4.46Å; F1065-M1068 VanDerWaalsContact O-CB 3.3Å; F1065-M1068 WeakPolarHBondContact O-CB 3.45Å; F1065-M1068 PolarHBondContact O-N 3.43Å; F1065-M1068 VanDerWaalsContact O-N 3.13Å; S1066-M1068 VanDerWaalsContact C-N 3.26Å; S1066-M1068 PolarHBondContact O-N 3.21Å; M1068-R1071 PolarHBondContact O-N 2.93Å; M1068-K1072 PolarHBondContact O-N 3.01Å; M1068-L1203 HydrophobicContact CE-CD1 3.55Å; M1068-V1206 HydrophobicContact CG-CB 4.4Å; M1068-V1206 HydrophobicContact CG-CG1 3.22Å; M1068-V1206 HydrophobicContact SD-CB 4.26Å; M1068-V1206 HydrophobicContact SD-CG1 3.48Å; M1068-V1206 WeakPolarHBondContact SD-CG1 3.27Å; M1068-L1207 HydrophobicContact CE-CD1 4.32Å; M1068-L1207 HydrophobicContact CE-CD2 3.93Å; M1068-L1207 HydrophobicContact CE-CG 3.96Å; M1068-L1207 HydrophobicContact SD-CD2 3.48Å; M1068-L1207 WeakPolarHBondContact SD-CD2 3.44Å; M1068-L1207 HydrophobicContact SD-CG 3.84Å |
| 1069 | L | 87 | Confident | 84.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -47.8 | 174.9 | -64.4 | -178.9 | 0 | 0 | 0 | 111.8 | F1065 S1066 R1071 K1072 G1073 I1074 Q1076 L1203 V1226 | F1065-L1069 HydrophobicContact CD1-CD1 4Å; F1065-L1069 HydrophobicContact CD1-CG 4.48Å; F1065-L1069 HydrophobicContact CE1-CD1 3.54Å; F1065-L1069 HydrophobicContact CE1-CG 4.22Å; F1065-L1069 HydrophobicContact CE2-CD2 4.42Å; F1065-L1069 HydrophobicContact CZ-CD1 3.91Å; F1065-L1069 HydrophobicContact CZ-CD2 4.21Å; F1065-L1069 HydrophobicContact CZ-CG 4.26Å; F1065-L1069 WeakPolarHBondContact O-CG 3.46Å; F1065-L1069 PolarHBondContact O-N 3.37Å; S1066-L1069 PolarHBondContact O-N 3.21Å; L1069-R1071 VanDerWaalsContact C-N 3.26Å; L1069-R1071 PolarHBondContact O-N 2.74Å; L1069-K1072 CarbonylContact O-C 3.54Å; L1069-K1072 PolarHBondContact O-N 2.97Å; L1069-G1073 PolarHBondContact O-N 2.76Å; L1069-I1074 HydrophobicContact CB-CB 4.31Å; L1069-I1074 HydrophobicContact CD2-CB 4.01Å; L1069-I1074 HydrophobicContact CD2-CD1 4.01Å; L1069-I1074 HydrophobicContact CD2-CG2 3.98Å; L1069-I1074 PolarHBondContact O-N 3.26Å; L1069-Q1076 HydrophobicContact CD1-CB 3.97Å; L1069-L1203 HydrophobicContact CD2-CD1 3.65Å; L1069-V1226 HydrophobicContact CD1-CB 3.88Å; L1069-V1226 HydrophobicContact CD1-CG1 3.92Å; L1069-V1226 HydrophobicContact CD2-CB 4.49Å; L1069-V1226 HydrophobicContact CD2-CG1 4.41Å |
| 1070 | D | 80.4 | Confident | 83.7 | Confident | 92 Ų | 92 | 43.9 Ų | 43.9 | 49% | 0.492 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.7 | -40.8 | 178.6 | -67.6 | -26.8 | 0 | 0 | 0 | 111.4 | S1066 K1072 G1073 Q1076 | S1066-D1070 VanDerWaalsContact O-CG 3.29Å; S1066-D1070 PolarHBondContact O-N 2.62Å; D1070-K1072 VanDerWaalsContact C-N 3.28Å; D1070-K1072 PolarHBondContact O-N 3.46Å; D1070-G1073 PolarHBondContact O-N 3.09Å; D1070-Q1076 VanDerWaalsContact CG-NE2 3.28Å; D1070-Q1076 PolarHBondContact OD1-NE2 3.25Å |
| 1071 | R | 73.8 | Confident | 82.9 | Confident | 107 Ų | 107 | 45.8 Ų | 45.8 | 40% | 0.404 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.1 | -33.3 | 177.1 | -178.3 | 178.8 | 66.3 | -176.3 | 0.3 | 113 | R1067 M1068 L1069 | R1067-R1071 WeakPolarHBondContact O-CB 3.43Å; R1067-R1071 PolarHBondContact O-N 2.84Å; M1068-R1071 PolarHBondContact O-N 2.93Å; L1069-R1071 VanDerWaalsContact C-N 3.26Å; L1069-R1071 PolarHBondContact O-N 2.74Å |
| 1072 | K | 78 | Confident | 82.3 | Confident | 102 Ų | 102 | 46.5 Ų | 46.5 | 44% | 0.443 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -90.3 | -9.5 | 179.9 | -78.2 | -87.6 | 163.7 | 155.6 | 0 | 113.1 | M1068 L1069 D1070 I1074 V1206 | M1068-K1072 PolarHBondContact O-N 3.01Å; L1069-K1072 CarbonylContact O-C 3.54Å; L1069-K1072 PolarHBondContact O-N 2.97Å; D1070-K1072 VanDerWaalsContact C-N 3.28Å; D1070-K1072 PolarHBondContact O-N 3.46Å; K1072-I1074 VanDerWaalsContact C-N 3.31Å; K1072-I1074 HydrophobicContact CB-CD1 4.12Å; K1072-I1074 HydrophobicContact CB-CG1 4.08Å; K1072-V1206 HydrophobicContact CD-CG2 3.47Å; K1072-V1206 VanDerWaalsContact CD-CG2 3.47Å; K1072-V1206 VanDerWaalsContact CE-CG2 3.48Å; K1072-V1206 HydrophobicContact CG-CG1 4.41Å; K1072-V1206 HydrophobicContact CG-CG2 3.5Å; K1072-V1206 VanDerWaalsContact CG-CG2 3.5Å |
| 1073 | G | 81.4 | Confident | 81.3 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 64% | 0.639 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 21.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L1069 D1070 | L1069-G1073 PolarHBondContact O-N 2.76Å; D1070-G1073 PolarHBondContact O-N 3.09Å |
| 1074 | I | 88.2 | Confident | 80.9 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | trans | -83 | 123.1 | 174.6 | -59.9 | 171.4 | 0 | 0 | 0 | 107.7 | L1069 K1072 I1199 D1202 V1226 | L1069-I1074 HydrophobicContact CB-CB 4.31Å; L1069-I1074 HydrophobicContact CD2-CB 4.01Å; L1069-I1074 HydrophobicContact CD2-CD1 4.01Å; L1069-I1074 HydrophobicContact CD2-CG2 3.98Å; L1069-I1074 PolarHBondContact O-N 3.26Å; K1072-I1074 VanDerWaalsContact C-N 3.31Å; K1072-I1074 HydrophobicContact CB-CD1 4.12Å; K1072-I1074 HydrophobicContact CB-CG1 4.08Å; I1074-I1199 HydrophobicContact CG2-CG2 3.89Å; I1074-D1202 HydrophobicContact CD1-CB 3.99Å; I1074-V1226 HydrophobicContact CG2-CB 4.32Å; I1074-V1226 HydrophobicContact CG2-CG2 3.49Å; I1074-V1226 VanDerWaalsContact CG2-CG2 3.49Å | ||
| 1075 | L | 90.9 | Very high | 80.7 | Confident | 93 Ų | 93 | 54.1 Ų | 54.1 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | trans | -68 | 145.1 | -178.7 | -59.6 | 176.7 | 0 | 0 | 0 | 110.9 | K1225 V1226 | L1075-K1225 HydrophobicContact CB-CG 3.9Å; L1075-K1225 CarbonylContact O-C 3.51Å; L1075-K1225 VanDerWaalsContact O-CA 3.3Å; L1075-K1225 WeakPolarHBondContact O-CA 3.49Å; L1075-V1226 PolarHBondContact O-N 3.34Å | ||
| 1076 | Q | 91.7 | Very high | 80.1 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | trans | -143 | 163.4 | 175.3 | 61 | -176.5 | -48.2 | 0 | 0 | 109.3 | S1066 L1069 D1070 R1078 V1226 | S1066-Q1076 PolarHBondContact O-NE2 3.42Å; S1066-Q1076 PolarHBondContact OG-OE1 2.92Å; L1069-Q1076 HydrophobicContact CD1-CB 3.97Å; D1070-Q1076 VanDerWaalsContact CG-NE2 3.28Å; D1070-Q1076 PolarHBondContact OD1-NE2 3.25Å; Q1076-R1078 PolarHBondContact O-N 2.93Å; Q1076-V1226 WeakPolarHBondContact CB-O 3.34Å | ||
| 1077 | P | 90.5 | Very high | 79.7 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | trans | -56.6 | 139.5 | 170.3 | -23.7 | 34.9 | 0 | 0 | 0 | 111.2 | W1079 L1143 I1218 V1226 | P1077-W1079 PolarHBondContact O-N 3.41Å; P1077-L1143 HydrophobicContact CG-CD1 4.39Å; P1077-I1218 HydrophobicContact CG-CD1 4.49Å; P1077-V1226 VanDerWaalsContact CD-O 3.25Å; P1077-V1226 WeakPolarHBondContact CD-O 3.49Å | ||
| 1078 | R | 89.1 | Confident | 79.9 | Confident | 133 Ų | 133 | 57 Ų | 57 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | trans | -54.8 | 132.3 | 176.4 | -63.9 | -172.2 | 71.6 | -165.8 | -2.1 | 109.1 | Q1076 E1094 V1095 S1140 K1141 | Q1076-R1078 PolarHBondContact O-N 2.93Å; R1078-E1094 IonicContact CZ-OE1 2.76Å; R1078-E1094 IonicContact NH1-OE1 3.85Å; R1078-E1094 IonicContact NH2-OE1 3.93Å; R1078-E1094 PolarHBondContact NH2-OE1 3.04Å; R1078-V1095 HydrophobicContact CB-CG1 4.08Å; R1078-S1140 CarbonylContact O-C 3.46Å; R1078-S1140 VanDerWaalsContact O-CA 3.23Å; R1078-S1140 WeakPolarHBondContact O-CA 3.15Å; R1078-K1141 HydrophobicContact CB-CB 4.34Å; R1078-K1141 PolarHBondContact O-N 2.97Å | ||
| 1079 | W | 86.6 | Confident | 80 | Confident | 51 Ų | 51 | 58 Ų | 58 | 19% | 0.193 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 156.4 | -173.5 | 71.6 | -80.1 | 0 | 0 | 0 | 111.4 | F1063 P1077 E1081 V1138 I1139 | F1063-W1079 AromaticContact CD2-CH2 3.82Å; F1063-W1079 HydrophobicContact CD2-CH2 3.82Å; F1063-W1079 HydrophobicContact CD2-CZ3 4.18Å; F1063-W1079 HydrophobicContact CE2-CH2 4.19Å; F1063-W1079 HydrophobicContact CG-CH2 4.45Å; P1077-W1079 PolarHBondContact O-N 3.41Å; W1079-E1081 HydrophobicContact CZ3-CB 4.29Å; W1079-V1138 HydrophobicContact CE3-CG1 3.87Å; W1079-I1139 CarbonylContact C-O 3.58Å; W1079-I1139 WeakPolarHBondContact CA-O 3.46Å |
| 1080 | K | 78.7 | Confident | 79.9 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 134.3 | 172 | -165.3 | 171.1 | 176.2 | -172.4 | 0 | 109.9 | L1082 F1091 I1139 | K1080-L1082 HydrophobicContact CB-CD2 4.28Å; K1080-L1082 HydrophobicContact CB-CG 4.36Å; K1080-L1082 HydrophobicContact CD-CD2 3.77Å; K1080-L1082 HydrophobicContact CG-CD2 3.81Å; K1080-L1082 HydrophobicContact CG-CG 4.27Å; K1080-F1091 HydrophobicContact CB-CD1 4.26Å; K1080-F1091 HydrophobicContact CB-CD2 3.6Å; K1080-F1091 HydrophobicContact CB-CE1 4.4Å; K1080-F1091 HydrophobicContact CB-CE2 3.75Å; K1080-F1091 HydrophobicContact CB-CG 3.86Å; K1080-F1091 HydrophobicContact CB-CZ 4.15Å; K1080-F1091 HydrophobicContact CD-CB 4Å; K1080-F1091 HydrophobicContact CD-CD2 3.79Å; K1080-F1091 HydrophobicContact CD-CG 4.08Å; K1080-F1091 HydrophobicContact CG-CD2 4.36Å; K1080-I1139 PolarHBondContact N-O 2.94Å; K1080-I1139 PolarHBondContact O-N 2.78Å; K1080-I1139 VanDerWaalsContact O-N 3.1Å |
| 1081 | E | 71.2 | Confident | 80.3 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 25% | 0.248 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 133.7 | 165.9 | -178.3 | -179.3 | -150.8 | 0 | 0 | 108.7 | F1063 W1079 | F1063-E1081 WeakPolarHBondContact CD2-OE2 3.47Å; W1079-E1081 HydrophobicContact CZ3-CB 4.29Å |
| 1082 | L | 68.7 | Low | 81 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | trans | -130.3 | 132 | -166.7 | -64.9 | 161.6 | 0 | 0 | 0 | 110.5 | K1080 S1087 A1088 I1139 | K1080-L1082 HydrophobicContact CB-CD2 4.28Å; K1080-L1082 HydrophobicContact CB-CG 4.36Å; K1080-L1082 HydrophobicContact CD-CD2 3.77Å; K1080-L1082 HydrophobicContact CG-CD2 3.81Å; K1080-L1082 HydrophobicContact CG-CG 4.27Å; L1082-S1087 VanDerWaalsContact CD2-C 3.44Å; L1082-S1087 VanDerWaalsContact CD2-O 3.25Å; L1082-S1087 WeakPolarHBondContact CD2-O 3.26Å; L1082-S1087 WeakPolarHBondContact CD2-OG 3.35Å; L1082-A1088 HydrophobicContact CD1-CB 3.63Å; L1082-A1088 HydrophobicContact CG-CB 4.44Å; L1082-I1139 HydrophobicContact CD1-CB 3.62Å; L1082-I1139 HydrophobicContact CD1-CD1 3.23Å; L1082-I1139 HydrophobicContact CD1-CG1 3.55Å | ||
| 1083 | T | 61.1 | Low | 81.5 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 60% | 0.595 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -102 | -16.4 | -178 | 56 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1084 | N | 68 | Low | 81.9 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -149.6 | 156.1 | -179.8 | 63.5 | 72.2 | 0 | 0 | 0 | 111.6 | Q1086 S1087 A1088 | N1084-Q1086 VanDerWaalsContact C-N 3.3Å; N1084-Q1086 PolarHBondContact O-N 3.45Å; N1084-Q1086 PolarHBondContact OD1-N 2.94Å; N1084-S1087 PolarHBondContact O-N 3.42Å; N1084-S1087 PolarHBondContact O-OG 2.94Å; N1084-S1087 PolarHBondContact OD1-N 2.59Å; N1084-S1087 PolarHBondContact OD1-OG 3.16Å; N1084-A1088 PolarHBondContact O-N 2.89Å |
| 1085 | L | 75.9 | Confident | 81.9 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 30% | 0.304 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.8 | -39.3 | -178 | -179.9 | 63.3 | 0 | 0 | 0 | 113.2 | S1087 A1088 I1089 E1122 L1125 | L1085-S1087 PolarHBondContact O-N 3.05Å; L1085-A1088 WeakPolarHBondContact O-CA 3.07Å; L1085-A1088 VanDerWaalsContact O-CB 3.25Å; L1085-A1088 WeakPolarHBondContact O-CB 3.34Å; L1085-A1088 PolarHBondContact O-N 3.05Å; L1085-A1088 VanDerWaalsContact O-N 3.08Å; L1085-I1089 HydrophobicContact CD1-CD1 4.39Å; L1085-I1089 HydrophobicContact CD1-CG1 4.48Å; L1085-I1089 HydrophobicContact CG-CD1 4.06Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.24Å; L1085-I1089 PolarHBondContact O-N 3.27Å; L1085-E1122 HydrophobicContact CD1-CB 4.05Å; L1085-E1122 HydrophobicContact CD1-CG 4.33Å; L1085-E1122 HydrophobicContact CD2-CB 4.28Å; L1085-E1122 HydrophobicContact CD2-CG 3.77Å; L1085-L1125 HydrophobicContact CD1-CD1 3.57Å |
| 1086 | Q | 75.9 | Confident | 81.8 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | -177.6 | -174.4 | 59.5 | 33.9 | 0 | 0 | 111.7 | N1084 A1088 I1089 E1090 | N1084-Q1086 VanDerWaalsContact C-N 3.3Å; N1084-Q1086 PolarHBondContact O-N 3.45Å; N1084-Q1086 PolarHBondContact OD1-N 2.94Å; Q1086-A1088 PolarHBondContact O-N 3.24Å; Q1086-I1089 PolarHBondContact O-N 3.08Å; Q1086-E1090 WeakPolarHBondContact O-CG 3.48Å; Q1086-E1090 PolarHBondContact O-N 3.11Å |
| 1087 | S | 75.9 | Confident | 81.6 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 12% | 0.119 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.4 | -27.1 | 176.4 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | L1082 N1084 L1085 F1091 | L1082-S1087 VanDerWaalsContact CD2-C 3.44Å; L1082-S1087 VanDerWaalsContact CD2-O 3.25Å; L1082-S1087 WeakPolarHBondContact CD2-O 3.26Å; L1082-S1087 WeakPolarHBondContact CD2-OG 3.35Å; N1084-S1087 PolarHBondContact O-N 3.42Å; N1084-S1087 PolarHBondContact O-OG 2.94Å; N1084-S1087 PolarHBondContact OD1-N 2.59Å; N1084-S1087 PolarHBondContact OD1-OG 3.16Å; L1085-S1087 PolarHBondContact O-N 3.05Å; S1087-F1091 WeakPolarHBondContact O-CB 3.2Å; S1087-F1091 PolarHBondContact O-N 3.02Å |
| 1088 | A | 81.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.4 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1082 N1084 L1085 Q1086 F1091 C1092 L1121 L1125 I1139 | L1082-A1088 HydrophobicContact CD1-CB 3.63Å; L1082-A1088 HydrophobicContact CG-CB 4.44Å; N1084-A1088 PolarHBondContact O-N 2.89Å; L1085-A1088 WeakPolarHBondContact O-CA 3.07Å; L1085-A1088 VanDerWaalsContact O-CB 3.25Å; L1085-A1088 WeakPolarHBondContact O-CB 3.34Å; L1085-A1088 PolarHBondContact O-N 3.05Å; L1085-A1088 VanDerWaalsContact O-N 3.08Å; Q1086-A1088 PolarHBondContact O-N 3.24Å; A1088-F1091 PolarHBondContact O-N 3Å; A1088-C1092 PolarHBondContact O-N 3.42Å; A1088-C1092 PolarHBondContact O-SG 3.27Å; A1088-L1121 HydrophobicContact CB-CD2 3.92Å; A1088-L1125 HydrophobicContact CB-CD1 3.8Å; A1088-I1139 HydrophobicContact CB-CD1 3.68Å |
| 1089 | I | 85.7 | Confident | 81.7 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -50.8 | 174.7 | -67.6 | 167.9 | 0 | 0 | 0 | 109.6 | L1085 Q1086 F1091 C1092 E1093 N1118 L1121 | L1085-I1089 HydrophobicContact CD1-CD1 4.39Å; L1085-I1089 HydrophobicContact CD1-CG1 4.48Å; L1085-I1089 HydrophobicContact CG-CD1 4.06Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.24Å; L1085-I1089 PolarHBondContact O-N 3.27Å; Q1086-I1089 PolarHBondContact O-N 3.08Å; I1089-F1091 VanDerWaalsContact C-N 3.29Å; I1089-F1091 PolarHBondContact O-N 3.25Å; I1089-C1092 PolarHBondContact O-N 3.18Å; I1089-E1093 HydrophobicContact CG2-CG 4.3Å; I1089-E1093 WeakPolarHBondContact CG2-OE1 3.33Å; I1089-E1093 WeakPolarHBondContact O-CG 3.44Å; I1089-E1093 PolarHBondContact O-N 2.98Å; I1089-N1118 WeakPolarHBondContact CG2-ND2 3.43Å; I1089-L1121 HydrophobicContact CG1-CD2 4.05Å |
| 1090 | E | 85.5 | Confident | 81.7 | Confident | 97 Ų | 97 | 48.8 Ų | 48.8 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.3 | -43.5 | 178.6 | -72.6 | 169.2 | -169.9 | 0 | 0 | 112.3 | Q1086 E1094 | Q1086-E1090 WeakPolarHBondContact O-CG 3.48Å; Q1086-E1090 PolarHBondContact O-N 3.11Å; E1090-E1094 WeakPolarHBondContact O-CB 3.43Å; E1090-E1094 PolarHBondContact O-N 3.22Å |
| 1091 | F | 87.3 | Confident | 81.9 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 176.6 | 176.3 | -105.9 | 0 | 0 | 0 | 112.2 | K1080 S1087 A1088 I1089 E1093 E1094 V1095 I1139 | K1080-F1091 HydrophobicContact CB-CD1 4.26Å; K1080-F1091 HydrophobicContact CB-CD2 3.6Å; K1080-F1091 HydrophobicContact CB-CE1 4.4Å; K1080-F1091 HydrophobicContact CB-CE2 3.75Å; K1080-F1091 HydrophobicContact CB-CG 3.86Å; K1080-F1091 HydrophobicContact CB-CZ 4.15Å; K1080-F1091 HydrophobicContact CD-CB 4Å; K1080-F1091 HydrophobicContact CD-CD2 3.79Å; K1080-F1091 HydrophobicContact CD-CG 4.08Å; K1080-F1091 HydrophobicContact CG-CD2 4.36Å; S1087-F1091 WeakPolarHBondContact O-CB 3.2Å; S1087-F1091 PolarHBondContact O-N 3.02Å; A1088-F1091 PolarHBondContact O-N 3Å; I1089-F1091 VanDerWaalsContact C-N 3.29Å; I1089-F1091 PolarHBondContact O-N 3.25Å; F1091-E1093 VanDerWaalsContact C-N 3.32Å; F1091-E1093 PolarHBondContact O-N 3.46Å; F1091-E1094 WeakPolarHBondContact O-CB 3.33Å; F1091-E1094 PolarHBondContact O-N 2.67Å; F1091-V1095 HydrophobicContact CD1-CG2 4.41Å; F1091-V1095 HydrophobicContact CD2-CG1 4.09Å; F1091-V1095 HydrophobicContact CE1-CG1 4.33Å; F1091-V1095 HydrophobicContact CE1-CG2 4.04Å; F1091-V1095 HydrophobicContact CE2-CG1 3.55Å; F1091-V1095 HydrophobicContact CZ-CG1 3.69Å; F1091-V1095 HydrophobicContact CZ-CG2 4.19Å; F1091-V1095 WeakPolarHBondContact O-CG2 3.5Å; F1091-V1095 PolarHBondContact O-N 3.24Å; F1091-I1139 HydrophobicContact CD1-CB 4.21Å; F1091-I1139 HydrophobicContact CD1-CG2 3.93Å; F1091-I1139 HydrophobicContact CE1-CB 4.27Å; F1091-I1139 HydrophobicContact CE1-CG2 3.94Å; F1091-I1139 WeakPolarHBondContact CE1-O 3.5Å |
| 1092 | C | 88.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.8 | -33.9 | 179.9 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | A1088 I1089 G1096 Y1097 L1121 | A1088-C1092 PolarHBondContact O-N 3.42Å; A1088-C1092 PolarHBondContact O-SG 3.27Å; I1089-C1092 PolarHBondContact O-N 3.18Å; C1092-G1096 CarbonylContact O-C 3.57Å; C1092-G1096 VanDerWaalsContact O-C 3.3Å; C1092-G1096 WeakPolarHBondContact O-CA 3.48Å; C1092-G1096 PolarHBondContact O-N 3.01Å; C1092-Y1097 HydrophobicContact CB-CE1 3.91Å; C1092-Y1097 HydrophobicContact CB-CE2 3.86Å; C1092-Y1097 VanDerWaalsContact CB-CZ 3.46Å; C1092-Y1097 WeakPolarHBondContact CB-OH 3.3Å; C1092-L1121 HydrophobicContact CB-CD2 4.31Å |
| 1093 | E | 89.1 | Confident | 82.5 | Confident | 121 Ų | 121 | 43.1 Ų | 43.1 | 57% | 0.565 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.8 | -39.9 | 171.8 | -71.6 | 179 | 176 | 0 | 0 | 111.4 | I1089 F1091 N1118 | I1089-E1093 HydrophobicContact CG2-CG 4.3Å; I1089-E1093 WeakPolarHBondContact CG2-OE1 3.33Å; I1089-E1093 WeakPolarHBondContact O-CG 3.44Å; I1089-E1093 PolarHBondContact O-N 2.98Å; F1091-E1093 VanDerWaalsContact C-N 3.32Å; F1091-E1093 PolarHBondContact O-N 3.46Å; E1093-N1118 PolarHBondContact OE1-ND2 2.86Å; E1093-N1118 VanDerWaalsContact OE1-ND2 3.15Å |
| 1094 | E | 89.4 | Confident | 83 | Confident | 116 Ų | 116 | 38.7 Ų | 38.7 | 54% | 0.542 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.2 | -45.6 | 177.8 | -169.4 | -161.4 | 153.5 | 0 | 0 | 113.1 | R1078 E1090 F1091 | R1078-E1094 IonicContact CZ-OE1 2.76Å; R1078-E1094 IonicContact NH1-OE1 3.85Å; R1078-E1094 IonicContact NH2-OE1 3.93Å; R1078-E1094 PolarHBondContact NH2-OE1 3.04Å; E1090-E1094 WeakPolarHBondContact O-CB 3.43Å; E1090-E1094 PolarHBondContact O-N 3.22Å; F1091-E1094 WeakPolarHBondContact O-CB 3.33Å; F1091-E1094 PolarHBondContact O-N 2.67Å |
| 1095 | V | 89.4 | Confident | 83.3 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 13% | 0.127 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -87.5 | -13 | -179.7 | -55.7 | 0 | 0 | 0 | 0 | 113.4 | R1078 F1091 K1141 | R1078-V1095 HydrophobicContact CB-CG1 4.08Å; F1091-V1095 HydrophobicContact CD1-CG2 4.41Å; F1091-V1095 HydrophobicContact CD2-CG1 4.09Å; F1091-V1095 HydrophobicContact CE1-CG1 4.33Å; F1091-V1095 HydrophobicContact CE1-CG2 4.04Å; F1091-V1095 HydrophobicContact CE2-CG1 3.55Å; F1091-V1095 HydrophobicContact CZ-CG1 3.69Å; F1091-V1095 HydrophobicContact CZ-CG2 4.19Å; F1091-V1095 WeakPolarHBondContact O-CG2 3.5Å; F1091-V1095 PolarHBondContact O-N 3.24Å; V1095-K1141 HydrophobicContact CB-CB 4.26Å; V1095-K1141 HydrophobicContact CB-CD 4.17Å; V1095-K1141 HydrophobicContact CB-CG 4.49Å; V1095-K1141 HydrophobicContact CG2-CB 4.14Å; V1095-K1141 HydrophobicContact CG2-CD 3.98Å; V1095-K1141 WeakPolarHBondContact O-CD 3.46Å; V1095-K1141 WeakPolarHBondContact O-CE 3.08Å |
| 1096 | G | 88.8 | Confident | 82.8 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 29% | 0.289 | 17% | 0.172 | S | C | . | . | trans | 72.7 | 152.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1092 C1099 K1141 | C1092-G1096 CarbonylContact O-C 3.57Å; C1092-G1096 VanDerWaalsContact O-C 3.3Å; C1092-G1096 WeakPolarHBondContact O-CA 3.48Å; C1092-G1096 PolarHBondContact O-N 3.01Å; G1096-C1099 PolarHBondContact O-SG 2.8Å; G1096-K1141 WeakPolarHBondContact O-CD 3.25Å; G1096-K1141 PolarHBondContact O-NZ 2.88Å | ||
| 1097 | Y | 87.8 | Confident | 82.2 | Confident | 59 Ų | 59 | 31.8 Ų | 31.8 | 23% | 0.231 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -75 | 158.2 | 172.5 | -76.8 | -77.2 | 0 | 0 | 0 | 113.1 | C1092 C1099 A1115 Y1116 S1117 N1118 K1141 | C1092-Y1097 HydrophobicContact CB-CE1 3.91Å; C1092-Y1097 HydrophobicContact CB-CE2 3.86Å; C1092-Y1097 VanDerWaalsContact CB-CZ 3.46Å; C1092-Y1097 WeakPolarHBondContact CB-OH 3.3Å; Y1097-C1099 HydrophobicContact CD1-CB 4.37Å; Y1097-C1099 HydrophobicContact CE1-CB 4.4Å; Y1097-A1115 VanDerWaalsContact CD1-O 3.3Å; Y1097-A1115 WeakPolarHBondContact CD1-O 3.45Å; Y1097-A1115 HydrophobicContact CE1-CB 4.01Å; Y1097-Y1116 WeakPolarHBondContact CB-O 3.42Å; Y1097-Y1116 VanDerWaalsContact CD1-C 3.4Å; Y1097-S1117 WeakPolarHBondContact CE1-O 3.24Å; Y1097-S1117 PolarHBondContact OH-O 3.47Å; Y1097-N1118 WeakPolarHBondContact CE2-OD1 3.41Å; Y1097-N1118 VanDerWaalsContact OH-CA 3.32Å; Y1097-N1118 WeakPolarHBondContact OH-CA 3.42Å; Y1097-N1118 PolarHBondContact OH-N 3.15Å; Y1097-N1118 PolarHBondContact OH-OD1 3.19Å; Y1097-K1141 VanDerWaalsContact C-NZ 3.25Å; Y1097-K1141 PolarHBondContact O-NZ 2.82Å |
| 1098 | P | 89.9 | Confident | 81.6 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 10% | 0.104 | 17% | 0.169 | C | C | . | . | cis | -72.6 | 158.9 | -7.2 | 29.8 | -34.5 | 0 | 0 | 0 | 113.4 | V1114 A1115 Y1116 K1141 F1142 T1144 | P1098-V1114 HydrophobicContact CB-CG1 3.74Å; P1098-A1115 CarbonylContact C-O 3.55Å; P1098-A1115 VanDerWaalsContact CA-O 3.24Å; P1098-A1115 WeakPolarHBondContact CA-O 3.2Å; P1098-A1115 WeakPolarHBondContact CB-O 3.35Å; P1098-Y1116 HydrophobicContact CB-CD1 3.82Å; P1098-Y1116 HydrophobicContact CB-CE1 3.89Å; P1098-Y1116 HydrophobicContact CB-CG 4.35Å; P1098-Y1116 HydrophobicContact CG-CD1 4.44Å; P1098-Y1116 HydrophobicContact CG-CE1 4.23Å; P1098-K1141 PolarHBondContact O-NZ 3.15Å; P1098-K1141 VanDerWaalsContact O-NZ 3.11Å; P1098-F1142 HydrophobicContact CB-CB 4.26Å; P1098-F1142 HydrophobicContact CB-CD1 4.4Å; P1098-F1142 HydrophobicContact CG-CB 4.13Å; P1098-F1142 HydrophobicContact CG-CD1 3.72Å; P1098-F1142 HydrophobicContact CG-CG 4.29Å; P1098-F1142 WeakPolarHBondContact O-CB 3.5Å; P1098-F1142 PolarHBondContact O-N 2.78Å; P1098-T1144 HydrophobicContact CG-CG2 3.73Å | ||
| 1099 | C | 90.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.9 | 177.9 | -68.8 | 0 | 0 | 0 | 0 | 110.4 | G1096 Y1097 V1114 A1115 I1139 | G1096-C1099 PolarHBondContact O-SG 2.8Å; Y1097-C1099 HydrophobicContact CD1-CB 4.37Å; Y1097-C1099 HydrophobicContact CE1-CB 4.4Å; C1099-V1114 CarbonylContact O-C 3.59Å; C1099-V1114 WeakPolarHBondContact O-CA 3.19Å; C1099-A1115 PolarHBondContact N-O 2.95Å; C1099-A1115 PolarHBondContact O-N 3.28Å; C1099-I1139 HydrophobicContact CB-CG2 3.95Å |
| 1100 | L | 87.3 | Confident | 79.4 | Confident | 16 Ų | 16 | 33.6 Ų | 33.6 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118.2 | 178.9 | -179.9 | 66.6 | 0 | 0 | 0 | 110 | M1112 V1114 I1139 S1140 F1142 V1294 | L1100-M1112 HydrophobicContact CD1-CB 4.49Å; L1100-M1112 HydrophobicContact CD1-CE 3.92Å; L1100-M1112 HydrophobicContact CD2-CE 3.69Å; L1100-M1112 HydrophobicContact CG-CE 4.15Å; L1100-V1114 HydrophobicContact CD1-CG2 4.02Å; L1100-I1139 WeakPolarHBondContact O-CA 3.48Å; L1100-S1140 PolarHBondContact N-O 2.68Å; L1100-S1140 PolarHBondContact O-N 3.08Å; L1100-F1142 HydrophobicContact CB-CB 4.41Å; L1100-F1142 HydrophobicContact CB-CD2 4.34Å; L1100-V1294 HydrophobicContact CD1-CG1 4.04Å; L1100-V1294 HydrophobicContact CD1-CG2 4.28Å |
| 1101 | V | 82.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 122.4 | 171.2 | -173.4 | 0 | 0 | 0 | 0 | 107.5 | M1112 N1113 A1115 L1121 L1125 V1137 I1139 | V1101-M1112 CarbonylContact O-C 3.52Å; V1101-M1112 WeakPolarHBondContact O-CA 3.17Å; V1101-N1113 PolarHBondContact N-O 2.7Å; V1101-N1113 PolarHBondContact O-N 3.07Å; V1101-A1115 HydrophobicContact CG2-CB 4.31Å; V1101-L1121 HydrophobicContact CG2-CD1 3.71Å; V1101-L1125 HydrophobicContact CG1-CD2 4.21Å; V1101-V1137 HydrophobicContact CG1-CG1 3.33Å; V1101-I1139 HydrophobicContact CG2-CD1 4.46Å; V1101-I1139 HydrophobicContact CG2-CG1 4.34Å |
| 1102 | R | 79.3 | Confident | 77.9 | Confident | 16 Ų | 16 | 31.4 Ų | 31.4 | 6% | 0.06 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 157.5 | -179.9 | 58.6 | 172.8 | 164 | -178.9 | -9.5 | 112.9 | R1062 M1112 V1137 V1138 S1140 | R1062-R1102 VanDerWaalsContact NE-NH2 3.17Å; R1102-M1112 HydrophobicContact CB-CB 4.48Å; R1102-M1112 HydrophobicContact CB-CE 4.15Å; R1102-M1112 HydrophobicContact CB-CG 3.7Å; R1102-M1112 HydrophobicContact CB-SD 4.26Å; R1102-V1137 WeakPolarHBondContact O-CG1 3.47Å; R1102-V1138 PolarHBondContact N-O 3.38Å; R1102-V1138 PolarHBondContact O-N 3.43Å; R1102-S1140 PolarHBondContact NH2-OG 3.34Å |
| 1103 | P | 73.3 | Confident | 77.4 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 8% | 0.078 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 156.2 | 170.6 | -21.6 | 33.8 | 0 | 0 | 0 | 112.3 | Y1105 L1107 A1111 | P1103-Y1105 VanDerWaalsContact C-N 3.26Å; P1103-Y1105 PolarHBondContact O-N 3.03Å; P1103-L1107 HydrophobicContact CB-CD1 4Å; P1103-L1107 HydrophobicContact CG-CD1 3.98Å; P1103-A1111 HydrophobicContact CG-CB 3.92Å |
| 1104 | S | 72 | Confident | 77.2 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -72.5 | -16 | 174.3 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | R1062 P1136 | R1062-S1104 WeakPolarHBondContact CB-O 3.49Å; R1062-S1104 PolarHBondContact N-O 2.66Å; S1104-P1136 WeakPolarHBondContact CB-O 3.38Å; S1104-P1136 PolarHBondContact N-O 2.9Å; S1104-P1136 VanDerWaalsContact N-O 3.12Å; S1104-P1136 WeakPolarHBondContact OG-CD 3.13Å; S1104-P1136 PolarHBondContact OG-O 3.06Å |
| 1105 | Y | 75.1 | Confident | 77.1 | Confident | 27 Ų | 27 | 23.1 Ų | 23.1 | 11% | 0.106 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -110.5 | 151.1 | 173.6 | -86.9 | -105.6 | 0 | 0 | 0 | 110.7 | D1057 E1060 N1061 P1103 L1107 H1135 R2173 | D1057-Y1105 WeakPolarHBondContact OD1-CE1 3.38Å; D1057-Y1105 PolarHBondContact OD1-OH 3.33Å; E1060-Y1105 HydrophobicContact CB-CD1 4.16Å; E1060-Y1105 WeakPolarHBondContact O-CA 3.2Å; N1061-Y1105 HydrophobicContact CB-CE1 4Å; N1061-Y1105 HydrophobicContact CB-CE2 3.84Å; N1061-Y1105 VanDerWaalsContact ND2-CE2 3.34Å; N1061-Y1105 WeakPolarHBondContact ND2-CE2 3.42Å; N1061-Y1105 PolarHBondContact ND2-OH 2.86Å; P1103-Y1105 VanDerWaalsContact C-N 3.26Å; P1103-Y1105 PolarHBondContact O-N 3.03Å; Y1105-L1107 PolarHBondContact O-N 2.98Å; Y1105-H1135 AromaticContact CD2-ND1 3.85Å; Y1105-R2173 VanDerWaalsContact CE2-CZ 3.42Å; Y1105-R2173 PolarHBondContact OH-NH2 2.97Å |
| 1106 | V | 65.3 | Low | 76.8 | Confident | 23 Ų | 23 | 25.9 Ų | 25.9 | 14% | 0.139 | 15% | 0.148 | C | C | . | . | trans | -68.6 | 114.8 | 173.2 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | E1060 | E1060-V1106 HydrophobicContact CB-CB 4.45Å; E1060-V1106 HydrophobicContact CG-CB 4.44Å; E1060-V1106 PolarHBondContact O-N 3.48Å; E1060-V1106 VanDerWaalsContact O-N 3.12Å | ||
| 1107 | L | 62.1 | Low | 76.7 | Confident | 61 Ų | 61 | 26.6 Ų | 26.6 | 32% | 0.319 | 15% | 0.148 | S | C | . | . | trans | -119.6 | 33.8 | 178.9 | -64 | 176.9 | 0 | 0 | 0 | 112 | P1103 Y1105 G1109 A1110 | P1103-L1107 HydrophobicContact CB-CD1 4Å; P1103-L1107 HydrophobicContact CG-CD1 3.98Å; Y1105-L1107 PolarHBondContact O-N 2.98Å; L1107-G1109 VanDerWaalsContact C-N 3.3Å; L1107-G1109 PolarHBondContact O-N 3.11Å; L1107-A1110 HydrophobicContact CB-CB 4.26Å; L1107-A1110 WeakPolarHBondContact O-CB 3.33Å; L1107-A1110 PolarHBondContact O-N 3.06Å; L1107-A1110 VanDerWaalsContact O-N 3.13Å | ||
| 1108 | S | 63.3 | Low | 76.5 | Confident | 37 Ų | 37 | 26.5 Ų | 26.5 | 26% | 0.259 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 41.9 | 180 | -49.8 | 0 | 0 | 0 | 0 | 113.8 | A1110 | S1108-A1110 VanDerWaalsContact C-N 3.32Å; S1108-A1110 PolarHBondContact O-N 2.79Å |
| 1109 | G | 56.4 | Low | 76 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 8% | 0.082 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -13.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | L1107 M1112 | L1107-G1109 VanDerWaalsContact C-N 3.3Å; L1107-G1109 PolarHBondContact O-N 3.11Å; G1109-M1112 WeakPolarHBondContact O-CB 3.45Å; G1109-M1112 WeakPolarHBondContact O-CG 3.27Å; G1109-M1112 PolarHBondContact O-N 2.8Å |
| 1110 | A | 65.7 | Low | 75.4 | Confident | 38 Ų | 38 | 33.9 Ų | 33.9 | 31% | 0.314 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 144.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1107 S1108 M1112 | L1107-A1110 HydrophobicContact CB-CB 4.26Å; L1107-A1110 WeakPolarHBondContact O-CB 3.33Å; L1107-A1110 PolarHBondContact O-N 3.06Å; L1107-A1110 VanDerWaalsContact O-N 3.13Å; S1108-A1110 VanDerWaalsContact C-N 3.32Å; S1108-A1110 PolarHBondContact O-N 2.79Å; A1110-M1112 PolarHBondContact O-N 3.21Å |
| 1111 | A | 64.5 | Low | 75.2 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 17.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1103 V1131 | P1103-A1111 HydrophobicContact CG-CB 3.92Å; A1111-V1131 HydrophobicContact CB-CG1 4.09Å |
| 1112 | M | 76.5 | Confident | 75.1 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 16% | 0.163 | 20% | 0.202 | C | C | . | . | trans | -88.4 | 132.2 | 174.5 | -63.3 | -177.6 | 54.1 | 0 | 0 | 111.7 | L1100 V1101 R1102 G1109 A1110 V1294 | L1100-M1112 HydrophobicContact CD1-CB 4.49Å; L1100-M1112 HydrophobicContact CD1-CE 3.92Å; L1100-M1112 HydrophobicContact CD2-CE 3.69Å; L1100-M1112 HydrophobicContact CG-CE 4.15Å; V1101-M1112 CarbonylContact O-C 3.52Å; V1101-M1112 WeakPolarHBondContact O-CA 3.17Å; R1102-M1112 HydrophobicContact CB-CB 4.48Å; R1102-M1112 HydrophobicContact CB-CE 4.15Å; R1102-M1112 HydrophobicContact CB-CG 3.7Å; R1102-M1112 HydrophobicContact CB-SD 4.26Å; G1109-M1112 WeakPolarHBondContact O-CB 3.45Å; G1109-M1112 WeakPolarHBondContact O-CG 3.27Å; G1109-M1112 PolarHBondContact O-N 2.8Å; A1110-M1112 PolarHBondContact O-N 3.21Å; M1112-V1294 HydrophobicContact CB-CB 4.31Å; M1112-V1294 HydrophobicContact CB-CG2 3.64Å; M1112-V1294 HydrophobicContact CE-CB 4.28Å | ||
| 1113 | N | 78.9 | Confident | 74.8 | Confident | 52 Ų | 52 | 40.2 Ų | 40.2 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.5 | -179.7 | -76.7 | -80.2 | 0 | 0 | 0 | 111.9 | V1101 Y1124 | V1101-N1113 PolarHBondContact N-O 2.7Å; V1101-N1113 PolarHBondContact O-N 3.07Å; N1113-Y1124 HydrophobicContact CB-CD1 3.89Å; N1113-Y1124 HydrophobicContact CB-CD2 3.7Å; N1113-Y1124 HydrophobicContact CB-CE1 4.29Å; N1113-Y1124 HydrophobicContact CB-CE2 4.09Å; N1113-Y1124 HydrophobicContact CB-CG 3.6Å |
| 1114 | V | 84.6 | Confident | 75 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 109.1 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 109 | P1098 C1099 L1100 Y1116 Y1124 F1142 V1294 R1418 | P1098-V1114 HydrophobicContact CB-CG1 3.74Å; C1099-V1114 CarbonylContact O-C 3.59Å; C1099-V1114 WeakPolarHBondContact O-CA 3.19Å; L1100-V1114 HydrophobicContact CD1-CG2 4.02Å; V1114-Y1116 HydrophobicContact CB-CE2 4.01Å; V1114-Y1116 HydrophobicContact CG1-CD2 4.34Å; V1114-Y1116 HydrophobicContact CG1-CE1 4.46Å; V1114-Y1116 HydrophobicContact CG1-CE2 3.69Å; V1114-Y1116 WeakPolarHBondContact O-CD2 3.31Å; V1114-Y1116 WeakPolarHBondContact O-CE2 3.02Å; V1114-Y1124 WeakPolarHBondContact O-CE2 3.35Å; V1114-F1142 HydrophobicContact CG1-CB 4.43Å; V1114-F1142 HydrophobicContact CG1-CD1 4.41Å; V1114-F1142 HydrophobicContact CG1-CD2 4.08Å; V1114-F1142 HydrophobicContact CG1-CE2 4.42Å; V1114-F1142 HydrophobicContact CG1-CG 4.05Å; V1114-F1142 HydrophobicContact CG2-CD2 3.78Å; V1114-F1142 HydrophobicContact CG2-CE2 3.68Å; V1114-F1142 HydrophobicContact CG2-CZ 4.39Å; V1114-V1294 HydrophobicContact CG2-CG1 4.17Å; V1114-V1294 HydrophobicContact CG2-CG2 4.49Å; V1114-R1418 PolarHBondContact O-NH1 2.86Å |
| 1115 | A | 85.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 132.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1097 P1098 C1099 V1101 D1120 L1121 Y1124 | Y1097-A1115 VanDerWaalsContact CD1-O 3.3Å; Y1097-A1115 WeakPolarHBondContact CD1-O 3.45Å; Y1097-A1115 HydrophobicContact CE1-CB 4.01Å; P1098-A1115 CarbonylContact C-O 3.55Å; P1098-A1115 VanDerWaalsContact CA-O 3.24Å; P1098-A1115 WeakPolarHBondContact CA-O 3.2Å; P1098-A1115 WeakPolarHBondContact CB-O 3.35Å; C1099-A1115 PolarHBondContact N-O 2.95Å; C1099-A1115 PolarHBondContact O-N 3.28Å; V1101-A1115 HydrophobicContact CG2-CB 4.31Å; A1115-D1120 HydrophobicContact CB-CB 4.09Å; A1115-L1121 HydrophobicContact CB-CB 4.14Å; A1115-L1121 HydrophobicContact CB-CD1 4.09Å; A1115-Y1124 HydrophobicContact CB-CD2 4.11Å; A1115-Y1124 HydrophobicContact CB-CE2 4.4Å |
| 1116 | Y | 84.3 | Confident | 74.7 | Confident | 79 Ų | 79 | 45.2 Ų | 45.2 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | trans | -109.6 | -10.1 | 176.2 | -66.9 | -95.2 | 0 | 0 | 0 | 112.5 | Y1097 P1098 V1114 D1120 S1413 R1418 | Y1097-Y1116 WeakPolarHBondContact CB-O 3.42Å; Y1097-Y1116 VanDerWaalsContact CD1-C 3.4Å; P1098-Y1116 HydrophobicContact CB-CD1 3.82Å; P1098-Y1116 HydrophobicContact CB-CE1 3.89Å; P1098-Y1116 HydrophobicContact CB-CG 4.35Å; P1098-Y1116 HydrophobicContact CG-CD1 4.44Å; P1098-Y1116 HydrophobicContact CG-CE1 4.23Å; V1114-Y1116 HydrophobicContact CB-CE2 4.01Å; V1114-Y1116 HydrophobicContact CG1-CD2 4.34Å; V1114-Y1116 HydrophobicContact CG1-CE1 4.46Å; V1114-Y1116 HydrophobicContact CG1-CE2 3.69Å; V1114-Y1116 WeakPolarHBondContact O-CD2 3.31Å; V1114-Y1116 WeakPolarHBondContact O-CE2 3.02Å; Y1116-D1120 WeakPolarHBondContact CA-OD2 3.3Å; Y1116-D1120 WeakPolarHBondContact CB-OD2 3.25Å; Y1116-D1120 PolarHBondContact N-OD2 3.33Å; Y1116-S1413 WeakPolarHBondContact CE1-O 3.48Å; Y1116-R1418 VanDerWaalsContact CE2-NH1 3.35Å | ||
| 1117 | S | 85.3 | Confident | 74.6 | Confident | 42 Ų | 42 | 46.1 Ų | 46.1 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -150.5 | 166.7 | -178.9 | 65 | 0 | 0 | 0 | 0 | 111.6 | Y1097 Q1119 D1120 L1121 | Y1097-S1117 WeakPolarHBondContact CE1-O 3.24Å; Y1097-S1117 PolarHBondContact OH-O 3.47Å; S1117-Q1119 PolarHBondContact O-N 3.05Å; S1117-D1120 PolarHBondContact N-OD2 3.09Å; S1117-D1120 VanDerWaalsContact N-OD2 3.1Å; S1117-D1120 PolarHBondContact O-N 3.15Å; S1117-D1120 PolarHBondContact OG-N 3.26Å; S1117-D1120 PolarHBondContact OG-OD2 3.49Å; S1117-L1121 PolarHBondContact O-N 2.86Å |
| 1118 | N | 84.9 | Confident | 74.4 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 31% | 0.305 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58 | -33.5 | 173.5 | -69.9 | -1.3 | 0 | 0 | 0 | 111.8 | I1089 E1093 Y1097 L1121 E1122 | I1089-N1118 WeakPolarHBondContact CG2-ND2 3.43Å; E1093-N1118 PolarHBondContact OE1-ND2 2.86Å; E1093-N1118 VanDerWaalsContact OE1-ND2 3.15Å; Y1097-N1118 WeakPolarHBondContact CE2-OD1 3.41Å; Y1097-N1118 VanDerWaalsContact OH-CA 3.32Å; Y1097-N1118 WeakPolarHBondContact OH-CA 3.42Å; Y1097-N1118 PolarHBondContact OH-N 3.15Å; Y1097-N1118 PolarHBondContact OH-OD1 3.19Å; N1118-L1121 WeakPolarHBondContact O-CB 3.28Å; N1118-L1121 PolarHBondContact O-N 2.9Å; N1118-E1122 PolarHBondContact O-N 2.67Å; N1118-E1122 VanDerWaalsContact O-N 3.07Å |
| 1119 | Q | 79.1 | Confident | 74.2 | Confident | 146 Ų | 146 | 44.8 Ų | 44.8 | 68% | 0.682 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -74.2 | -39.4 | -179.9 | -170.5 | 170.5 | 20.3 | 0 | 0 | 112.6 | S1117 L1121 E1122 T1123 | S1117-Q1119 PolarHBondContact O-N 3.05Å; Q1119-L1121 VanDerWaalsContact C-N 3.28Å; Q1119-L1121 PolarHBondContact O-N 3.26Å; Q1119-E1122 PolarHBondContact O-N 2.99Å; Q1119-T1123 PolarHBondContact O-N 2.87Å; Q1119-T1123 VanDerWaalsContact O-N 3.07Å; Q1119-T1123 PolarHBondContact O-OG1 2.74Å |
| 1120 | D | 78.1 | Confident | 74 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 171.5 | -63.1 | -34.5 | 0 | 0 | 0 | 110.1 | A1115 Y1116 S1117 E1122 T1123 Y1124 | A1115-D1120 HydrophobicContact CB-CB 4.09Å; Y1116-D1120 WeakPolarHBondContact CA-OD2 3.3Å; Y1116-D1120 WeakPolarHBondContact CB-OD2 3.25Å; Y1116-D1120 PolarHBondContact N-OD2 3.33Å; S1117-D1120 PolarHBondContact N-OD2 3.09Å; S1117-D1120 VanDerWaalsContact N-OD2 3.1Å; S1117-D1120 PolarHBondContact O-N 3.15Å; S1117-D1120 PolarHBondContact OG-N 3.26Å; S1117-D1120 PolarHBondContact OG-OD2 3.49Å; D1120-E1122 PolarHBondContact O-N 3.42Å; D1120-T1123 PolarHBondContact O-N 3.34Å; D1120-Y1124 HydrophobicContact CB-CD2 4.09Å; D1120-Y1124 HydrophobicContact CB-CE2 3.69Å; D1120-Y1124 WeakPolarHBondContact O-CB 3.2Å; D1120-Y1124 WeakPolarHBondContact O-CD2 3.09Å; D1120-Y1124 PolarHBondContact O-N 2.73Å |
| 1121 | L | 82.1 | Confident | 73.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 179.3 | -172.9 | 68.1 | 0 | 0 | 0 | 111.8 | A1088 I1089 C1092 V1101 A1115 S1117 N1118 Q1119 Y1124 L1125 I1139 | A1088-L1121 HydrophobicContact CB-CD2 3.92Å; I1089-L1121 HydrophobicContact CG1-CD2 4.05Å; C1092-L1121 HydrophobicContact CB-CD2 4.31Å; V1101-L1121 HydrophobicContact CG2-CD1 3.71Å; A1115-L1121 HydrophobicContact CB-CB 4.14Å; A1115-L1121 HydrophobicContact CB-CD1 4.09Å; S1117-L1121 PolarHBondContact O-N 2.86Å; N1118-L1121 WeakPolarHBondContact O-CB 3.28Å; N1118-L1121 PolarHBondContact O-N 2.9Å; Q1119-L1121 VanDerWaalsContact C-N 3.28Å; Q1119-L1121 PolarHBondContact O-N 3.26Å; L1121-Y1124 PolarHBondContact O-N 2.66Å; L1121-L1125 HydrophobicContact CD1-CD1 4.22Å; L1121-L1125 HydrophobicContact CG-CD1 3.9Å; L1121-L1125 VanDerWaalsContact O-CB 3.32Å; L1121-L1125 WeakPolarHBondContact O-CB 3.49Å; L1121-L1125 VanDerWaalsContact O-CG 3.25Å; L1121-L1125 WeakPolarHBondContact O-CG 3.12Å; L1121-L1125 PolarHBondContact O-N 2.83Å; L1121-I1139 HydrophobicContact CD1-CD1 3.59Å |
| 1122 | E | 79.7 | Confident | 72.3 | Confident | 91 Ų | 91 | 55 Ų | 55 | 43% | 0.425 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 176.9 | -176.9 | 173.2 | -160.8 | 0 | 0 | 111.9 | L1085 N1118 Q1119 D1120 Y1124 L1125 N1126 | L1085-E1122 HydrophobicContact CD1-CB 4.05Å; L1085-E1122 HydrophobicContact CD1-CG 4.33Å; L1085-E1122 HydrophobicContact CD2-CB 4.28Å; L1085-E1122 HydrophobicContact CD2-CG 3.77Å; N1118-E1122 PolarHBondContact O-N 2.67Å; N1118-E1122 VanDerWaalsContact O-N 3.07Å; Q1119-E1122 PolarHBondContact O-N 2.99Å; D1120-E1122 PolarHBondContact O-N 3.42Å; E1122-Y1124 PolarHBondContact O-N 2.81Å; E1122-L1125 PolarHBondContact O-N 3.37Å; E1122-N1126 VanDerWaalsContact O-CG 3.29Å; E1122-N1126 PolarHBondContact O-N 2.85Å; E1122-N1126 PolarHBondContact O-ND2 2.97Å |
| 1123 | T | 74.7 | Confident | 71 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 178.6 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | Q1119 D1120 N1126 A1127 | Q1119-T1123 PolarHBondContact O-N 2.87Å; Q1119-T1123 VanDerWaalsContact O-N 3.07Å; Q1119-T1123 PolarHBondContact O-OG1 2.74Å; D1120-T1123 PolarHBondContact O-N 3.34Å; T1123-N1126 PolarHBondContact O-N 3.27Å; T1123-A1127 PolarHBondContact O-N 3.05Å; T1123-A1127 VanDerWaalsContact O-N 3.08Å |
| 1124 | Y | 76.1 | Confident | 69.6 | Low | 22 Ų | 22 | 66.2 Ų | 66.2 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72 | -34 | -178.4 | -61.5 | -37.2 | 0 | 0 | 0 | 112.9 | N1113 V1114 A1115 D1120 L1121 E1122 A1127 A1128 R1418 | N1113-Y1124 HydrophobicContact CB-CD1 3.89Å; N1113-Y1124 HydrophobicContact CB-CD2 3.7Å; N1113-Y1124 HydrophobicContact CB-CE1 4.29Å; N1113-Y1124 HydrophobicContact CB-CE2 4.09Å; N1113-Y1124 HydrophobicContact CB-CG 3.6Å; V1114-Y1124 WeakPolarHBondContact O-CE2 3.35Å; A1115-Y1124 HydrophobicContact CB-CD2 4.11Å; A1115-Y1124 HydrophobicContact CB-CE2 4.4Å; D1120-Y1124 HydrophobicContact CB-CD2 4.09Å; D1120-Y1124 HydrophobicContact CB-CE2 3.69Å; D1120-Y1124 WeakPolarHBondContact O-CB 3.2Å; D1120-Y1124 WeakPolarHBondContact O-CD2 3.09Å; D1120-Y1124 PolarHBondContact O-N 2.73Å; L1121-Y1124 PolarHBondContact O-N 2.66Å; E1122-Y1124 PolarHBondContact O-N 2.81Å; Y1124-A1127 PolarHBondContact O-N 3.05Å; Y1124-A1128 WeakPolarHBondContact O-CB 3.32Å; Y1124-A1128 PolarHBondContact O-N 2.75Å; Y1124-R1418 PolarHBondContact OH-NH1 2.59Å; Y1124-R1418 VanDerWaalsContact OH-NH1 3.08Å |
| 1125 | L | 73.7 | Confident | 68.2 | Low | 29 Ų | 29 | 67.4 Ų | 67.4 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 174.3 | -76.7 | 169.7 | 0 | 0 | 0 | 111.6 | L1085 A1088 V1101 L1121 E1122 S1129 V1137 I1139 | L1085-L1125 HydrophobicContact CD1-CD1 3.57Å; A1088-L1125 HydrophobicContact CB-CD1 3.8Å; V1101-L1125 HydrophobicContact CG1-CD2 4.21Å; L1121-L1125 HydrophobicContact CD1-CD1 4.22Å; L1121-L1125 HydrophobicContact CG-CD1 3.9Å; L1121-L1125 VanDerWaalsContact O-CB 3.32Å; L1121-L1125 WeakPolarHBondContact O-CB 3.49Å; L1121-L1125 VanDerWaalsContact O-CG 3.25Å; L1121-L1125 WeakPolarHBondContact O-CG 3.12Å; L1121-L1125 PolarHBondContact O-N 2.83Å; E1122-L1125 PolarHBondContact O-N 3.37Å; L1125-S1129 WeakPolarHBondContact O-CB 3.48Å; L1125-S1129 PolarHBondContact O-N 2.83Å; L1125-S1129 PolarHBondContact O-OG 3.28Å; L1125-V1137 HydrophobicContact CD2-CB 4.16Å; L1125-V1137 HydrophobicContact CD2-CG1 3.85Å; L1125-I1139 HydrophobicContact CD1-CD1 4.32Å; L1125-I1139 HydrophobicContact CD2-CD1 4.16Å |
| 1126 | N | 67 | Low | 66.9 | Low | 97 Ų | 97 | 70 Ų | 70 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 173.9 | -71.3 | -25.2 | 0 | 0 | 0 | 111 | E1122 T1123 S1129 E1130 | E1122-N1126 VanDerWaalsContact O-CG 3.29Å; E1122-N1126 PolarHBondContact O-N 2.85Å; E1122-N1126 PolarHBondContact O-ND2 2.97Å; T1123-N1126 PolarHBondContact O-N 3.27Å; N1126-S1129 PolarHBondContact O-N 3.3Å; N1126-S1129 PolarHBondContact O-OG 3.27Å; N1126-E1130 PolarHBondContact O-N 2.86Å |
| 1127 | A | 63.1 | Low | 66.3 | Low | 42 Ų | 42 | 67.3 Ų | 67.3 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1123 Y1124 S1129 E1130 V1131 | T1123-A1127 PolarHBondContact O-N 3.05Å; T1123-A1127 VanDerWaalsContact O-N 3.08Å; Y1124-A1127 PolarHBondContact O-N 3.05Å; A1127-S1129 VanDerWaalsContact C-N 3.28Å; A1127-S1129 PolarHBondContact O-N 2.78Å; A1127-E1130 PolarHBondContact O-N 3.34Å; A1127-E1130 VanDerWaalsContact O-N 3.17Å; A1127-V1131 WeakPolarHBondContact O-CG2 3.3Å; A1127-V1131 PolarHBondContact O-N 3.05Å; A1127-V1131 VanDerWaalsContact O-N 3.08Å |
| 1128 | A | 59.6 | Low | 66 | Low | 8 Ų | 8 | 65.4 Ų | 65.4 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -33.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1124 E1130 V1131 S1132 V1137 | Y1124-A1128 WeakPolarHBondContact O-CB 3.32Å; Y1124-A1128 PolarHBondContact O-N 2.75Å; A1128-E1130 VanDerWaalsContact C-N 3.3Å; A1128-E1130 PolarHBondContact O-N 3.41Å; A1128-V1131 PolarHBondContact O-N 3.43Å; A1128-S1132 PolarHBondContact O-N 3.36Å; A1128-V1137 HydrophobicContact CB-CG2 3.87Å |
| 1129 | S | 57.1 | Low | 66.1 | Low | 62 Ų | 62 | 62.7 Ų | 62.7 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.5 | -27.6 | 174.9 | 77.6 | 0 | 0 | 0 | 0 | 113.5 | L1125 N1126 A1127 | L1125-S1129 WeakPolarHBondContact O-CB 3.48Å; L1125-S1129 PolarHBondContact O-N 2.83Å; L1125-S1129 PolarHBondContact O-OG 3.28Å; N1126-S1129 PolarHBondContact O-N 3.3Å; N1126-S1129 PolarHBondContact O-OG 3.27Å; A1127-S1129 VanDerWaalsContact C-N 3.28Å; A1127-S1129 PolarHBondContact O-N 2.78Å |
| 1130 | E | 52.8 | Low | 66.5 | Low | 153 Ų | 153 | 55.8 Ų | 55.8 | 72% | 0.715 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -77.3 | -43.3 | 172.4 | -72.8 | -174.8 | 158.4 | 0 | 0 | 112 | N1126 A1127 A1128 | N1126-E1130 PolarHBondContact O-N 2.86Å; A1127-E1130 PolarHBondContact O-N 3.34Å; A1127-E1130 VanDerWaalsContact O-N 3.17Å; A1128-E1130 VanDerWaalsContact C-N 3.3Å; A1128-E1130 PolarHBondContact O-N 3.41Å |
| 1131 | V | 48.8 | Very low | 67.1 | Low | 109 Ų | 109 | 56.5 Ų | 56.5 | 66% | 0.661 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -72.1 | -37.9 | -176.1 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | A1111 A1127 A1128 | A1111-V1131 HydrophobicContact CB-CG1 4.09Å; A1127-V1131 WeakPolarHBondContact O-CG2 3.3Å; A1127-V1131 PolarHBondContact O-N 3.05Å; A1127-V1131 VanDerWaalsContact O-N 3.08Å; A1128-V1131 PolarHBondContact O-N 3.43Å |
| 1132 | S | 47.1 | Very low | 67.5 | Low | 21 Ų | 21 | 57.9 Ų | 57.9 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 79.1 | 175.6 | -162.1 | 0 | 0 | 0 | 0 | 111.2 | A1128 E1134 H1135 | A1128-S1132 PolarHBondContact O-N 3.36Å; S1132-E1134 PolarHBondContact O-N 3.34Å; S1132-E1134 VanDerWaalsContact O-N 3.13Å; S1132-H1135 WeakPolarHBondContact OG-CB 2.97Å; S1132-H1135 PolarHBondContact OG-CD2 2.63Å; S1132-H1135 PolarHBondContact OG-N 3.36Å |
| 1133 | R | 47.9 | Very low | 67.8 | Low | 225 Ų | 225 | 54.9 Ų | 54.9 | 85% | 0.849 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.3 | 166.3 | -68.1 | -177 | -179.1 | 170.9 | 1.8 | 112.4 | ||
| 1134 | E | 50.4 | Low | 68.4 | Low | 96 Ų | 96 | 54.2 Ų | 54.2 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -21.7 | -171.7 | -57.9 | -168.5 | 168.6 | 0 | 0 | 114.9 | S1132 K2172 | S1132-E1134 PolarHBondContact O-N 3.34Å; S1132-E1134 VanDerWaalsContact O-N 3.13Å; E1134-K2172 VanDerWaalsContact OE1-CD 3.24Å; E1134-K2172 WeakPolarHBondContact OE1-CD 3.09Å; E1134-K2172 IonicContact OE1-NZ 2.73Å; E1134-K2172 PolarHBondContact OE1-NZ 3.33Å; E1134-K2172 WeakPolarHBondContact OE2-CD 3.36Å; E1134-K2172 IonicContact OE2-NZ 3.5Å; E1134-K2172 PolarHBondContact OE2-NZ 3.08Å |
| 1135 | H | 54.7 | Low | 68.8 | Low | 36 Ų | 36 | 57.7 Ų | 57.7 | 17% | 0.167 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -126 | 124.1 | -173.4 | -59.7 | -57 | 0 | 0 | 0 | 112.5 | Y1105 S1132 | Y1105-H1135 AromaticContact CD2-ND1 3.85Å; S1132-H1135 WeakPolarHBondContact OG-CB 2.97Å; S1132-H1135 PolarHBondContact OG-CD2 2.63Å; S1132-H1135 PolarHBondContact OG-N 3.36Å |
| 1136 | P | 59.2 | Low | 69.6 | Low | 56 Ų | 56 | 56.4 Ų | 56.4 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -60.2 | 143.8 | 173.1 | 22.4 | -30.1 | 0 | 0 | 0 | 111.1 | S1104 | S1104-P1136 WeakPolarHBondContact CB-O 3.38Å; S1104-P1136 PolarHBondContact N-O 2.9Å; S1104-P1136 VanDerWaalsContact N-O 3.12Å; S1104-P1136 WeakPolarHBondContact OG-CD 3.13Å; S1104-P1136 PolarHBondContact OG-O 3.06Å | ||
| 1137 | V | 71.7 | Confident | 70.8 | Confident | 22 Ų | 22 | 54 Ų | 54 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 136.5 | -179.2 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | V1101 R1102 L1125 A1128 | V1101-V1137 HydrophobicContact CG1-CG1 3.33Å; R1102-V1137 WeakPolarHBondContact O-CG1 3.47Å; L1125-V1137 HydrophobicContact CD2-CB 4.16Å; L1125-V1137 HydrophobicContact CD2-CG1 3.85Å; A1128-V1137 HydrophobicContact CB-CG2 3.87Å |
| 1138 | V | 78.7 | Confident | 72.2 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.2 | 176.6 | -177 | 0 | 0 | 0 | 0 | 109.2 | R1062 W1079 R1102 | R1062-V1138 HydrophobicContact CB-CG2 4.34Å; R1062-V1138 HydrophobicContact CG-CB 4.28Å; R1062-V1138 HydrophobicContact CG-CG1 3.97Å; R1062-V1138 HydrophobicContact CG-CG2 4.16Å; W1079-V1138 HydrophobicContact CE3-CG1 3.87Å; R1102-V1138 PolarHBondContact N-O 3.38Å; R1102-V1138 PolarHBondContact O-N 3.43Å |
| 1139 | I | 85.5 | Confident | 73.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.1 | 177 | -57.5 | 174.8 | 0 | 0 | 0 | 109.1 | W1079 K1080 L1082 A1088 F1091 C1099 L1100 V1101 L1121 L1125 | W1079-I1139 CarbonylContact C-O 3.58Å; W1079-I1139 WeakPolarHBondContact CA-O 3.46Å; K1080-I1139 PolarHBondContact N-O 2.94Å; K1080-I1139 PolarHBondContact O-N 2.78Å; K1080-I1139 VanDerWaalsContact O-N 3.1Å; L1082-I1139 HydrophobicContact CD1-CB 3.62Å; L1082-I1139 HydrophobicContact CD1-CD1 3.23Å; L1082-I1139 HydrophobicContact CD1-CG1 3.55Å; A1088-I1139 HydrophobicContact CB-CD1 3.68Å; F1091-I1139 HydrophobicContact CD1-CB 4.21Å; F1091-I1139 HydrophobicContact CD1-CG2 3.93Å; F1091-I1139 HydrophobicContact CE1-CB 4.27Å; F1091-I1139 HydrophobicContact CE1-CG2 3.94Å; F1091-I1139 WeakPolarHBondContact CE1-O 3.5Å; C1099-I1139 HydrophobicContact CB-CG2 3.95Å; L1100-I1139 WeakPolarHBondContact O-CA 3.48Å; V1101-I1139 HydrophobicContact CG2-CD1 4.46Å; V1101-I1139 HydrophobicContact CG2-CG1 4.34Å; L1121-I1139 HydrophobicContact CD1-CD1 3.59Å; L1125-I1139 HydrophobicContact CD1-CD1 4.32Å; L1125-I1139 HydrophobicContact CD2-CD1 4.16Å |
| 1140 | S | 88.2 | Confident | 75.8 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.4 | 177.5 | 48 | 0 | 0 | 0 | 0 | 112.1 | R1078 L1100 R1102 F1142 | R1078-S1140 CarbonylContact O-C 3.46Å; R1078-S1140 VanDerWaalsContact O-CA 3.23Å; R1078-S1140 WeakPolarHBondContact O-CA 3.15Å; L1100-S1140 PolarHBondContact N-O 2.68Å; L1100-S1140 PolarHBondContact O-N 3.08Å; R1102-S1140 PolarHBondContact NH2-OG 3.34Å; S1140-F1142 PolarHBondContact O-N 3.3Å |
| 1141 | K | 91.9 | Very high | 77.8 | Confident | 40 Ų | 40 | 42 Ų | 42 | 17% | 0.174 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 122.3 | 175.9 | 176.9 | 56.5 | -177.1 | 164.6 | 0 | 110 | R1078 V1095 G1096 Y1097 P1098 L1143 | R1078-K1141 HydrophobicContact CB-CB 4.34Å; R1078-K1141 PolarHBondContact O-N 2.97Å; V1095-K1141 HydrophobicContact CB-CB 4.26Å; V1095-K1141 HydrophobicContact CB-CD 4.17Å; V1095-K1141 HydrophobicContact CB-CG 4.49Å; V1095-K1141 HydrophobicContact CG2-CB 4.14Å; V1095-K1141 HydrophobicContact CG2-CD 3.98Å; V1095-K1141 WeakPolarHBondContact O-CD 3.46Å; V1095-K1141 WeakPolarHBondContact O-CE 3.08Å; G1096-K1141 WeakPolarHBondContact O-CD 3.25Å; G1096-K1141 PolarHBondContact O-NZ 2.88Å; Y1097-K1141 VanDerWaalsContact C-NZ 3.25Å; Y1097-K1141 PolarHBondContact O-NZ 2.82Å; P1098-K1141 PolarHBondContact O-NZ 3.15Å; P1098-K1141 VanDerWaalsContact O-NZ 3.11Å; K1141-L1143 HydrophobicContact CG-CD2 4.02Å |
| 1142 | F | 89 | Confident | 80.2 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 13% | 0.127 | 17% | 0.174 | C | C | . | . | trans | -81.1 | 121.3 | 172.1 | -173.6 | -86 | 0 | 0 | 0 | 109.2 | P1098 L1100 V1114 S1140 T1144 V1294 | P1098-F1142 HydrophobicContact CB-CB 4.26Å; P1098-F1142 HydrophobicContact CB-CD1 4.4Å; P1098-F1142 HydrophobicContact CG-CB 4.13Å; P1098-F1142 HydrophobicContact CG-CD1 3.72Å; P1098-F1142 HydrophobicContact CG-CG 4.29Å; P1098-F1142 WeakPolarHBondContact O-CB 3.5Å; P1098-F1142 PolarHBondContact O-N 2.78Å; L1100-F1142 HydrophobicContact CB-CB 4.41Å; L1100-F1142 HydrophobicContact CB-CD2 4.34Å; V1114-F1142 HydrophobicContact CG1-CB 4.43Å; V1114-F1142 HydrophobicContact CG1-CD1 4.41Å; V1114-F1142 HydrophobicContact CG1-CD2 4.08Å; V1114-F1142 HydrophobicContact CG1-CE2 4.42Å; V1114-F1142 HydrophobicContact CG1-CG 4.05Å; V1114-F1142 HydrophobicContact CG2-CD2 3.78Å; V1114-F1142 HydrophobicContact CG2-CE2 3.68Å; V1114-F1142 HydrophobicContact CG2-CZ 4.39Å; S1140-F1142 PolarHBondContact O-N 3.3Å; F1142-T1144 HydrophobicContact CD1-CG2 3.96Å; F1142-T1144 HydrophobicContact CE1-CG2 4.1Å; F1142-V1294 HydrophobicContact CE2-CG1 4.24Å | ||
| 1143 | L | 87.3 | Confident | 82.6 | Confident | 29 Ų | 29 | 35.8 Ų | 35.8 | 15% | 0.152 | 17% | 0.167 | C | C | . | . | trans | -93.2 | 101.5 | -177.1 | -62.5 | 178.2 | 0 | 0 | 0 | 109.8 | P1077 K1141 A1146 I1218 K1225 | P1077-L1143 HydrophobicContact CG-CD1 4.39Å; K1141-L1143 HydrophobicContact CG-CD2 4.02Å; L1143-A1146 HydrophobicContact CB-CB 4.34Å; L1143-I1218 HydrophobicContact CB-CD1 4.41Å; L1143-I1218 HydrophobicContact CB-CG2 4.36Å; L1143-I1218 HydrophobicContact CD1-CB 4.43Å; L1143-I1218 HydrophobicContact CD1-CD1 4.19Å; L1143-I1218 HydrophobicContact CD1-CG2 3.92Å; L1143-K1225 HydrophobicContact CD1-CD 3.85Å | ||
| 1144 | T | 86.1 | Confident | 85 | Confident | 59 Ų | 59 | 25 Ų | 25 | 36% | 0.362 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 151.5 | 175.6 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | P1098 F1142 A1146 K1220 | P1098-T1144 HydrophobicContact CG-CG2 3.73Å; F1142-T1144 HydrophobicContact CD1-CG2 3.96Å; F1142-T1144 HydrophobicContact CE1-CG2 4.1Å; T1144-A1146 PolarHBondContact O-N 3.28Å; T1144-K1220 PolarHBondContact O-NZ 3.39Å |
| 1145 | E | 85.3 | Confident | 87.1 | Confident | 96 Ų | 96 | 20.5 Ų | 20.5 | 45% | 0.449 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 38.4 | 174.7 | -49.9 | -174.2 | 97.3 | 0 | 0 | 114 | K1337 | E1145-K1337 WeakPolarHBondContact OE1-CE 3.41Å; E1145-K1337 IonicContact OE1-NZ 2.79Å; E1145-K1337 PolarHBondContact OE1-NZ 3.03Å; E1145-K1337 IonicContact OE2-NZ 2.8Å; E1145-K1337 PolarHBondContact OE2-NZ 2.94Å |
| 1146 | A | 90.2 | Very high | 89 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | trans | -110 | 150.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | L1143 T1144 A1172 I1218 K1220 | L1143-A1146 HydrophobicContact CB-CB 4.34Å; T1144-A1146 PolarHBondContact O-N 3.28Å; A1146-A1172 HydrophobicContact CB-CB 4.25Å; A1146-A1172 WeakPolarHBondContact O-CB 3.34Å; A1146-A1172 PolarHBondContact O-N 3.08Å; A1146-I1218 HydrophobicContact CB-CG2 3.13Å; A1146-K1220 HydrophobicContact CB-CB 3.91Å; A1146-K1220 HydrophobicContact CB-CD 4.14Å; A1146-K1220 HydrophobicContact CB-CG 4.39Å | ||
| 1147 | K | 91.4 | Very high | 90.4 | Very high | 47 Ų | 47 | 22 Ų | 22 | 20% | 0.204 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 135.6 | 173.4 | -179.8 | 177.8 | -77.6 | -166.3 | 0 | 108.1 | I1149 E1167 D1187 L1188 I1218 A1219 | K1147-I1149 HydrophobicContact CG-CG1 4.47Å; K1147-E1167 HydrophobicContact CD-CB 4.33Å; K1147-E1167 IonicContact NZ-OE2 2.69Å; K1147-E1167 PolarHBondContact NZ-OE2 3.08Å; K1147-D1187 VanDerWaalsContact NZ-CG 3.32Å; K1147-D1187 PolarHBondContact NZ-O 2.78Å; K1147-D1187 IonicContact NZ-OD2 3.46Å; K1147-D1187 PolarHBondContact NZ-OD2 3.01Å; K1147-L1188 HydrophobicContact CD-CD2 3.9Å; K1147-I1218 CarbonylContact O-C 3.57Å; K1147-I1218 WeakPolarHBondContact O-CA 3.43Å; K1147-A1219 HydrophobicContact CB-CB 4.48Å; K1147-A1219 PolarHBondContact N-O 3.28Å; K1147-A1219 PolarHBondContact O-N 3.22Å |
| 1148 | E | 94.3 | Very high | 91.2 | Very high | 11 Ų | 11 | 21.3 Ų | 21.3 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 142.2 | 172.9 | -169.1 | 165.9 | 148.1 | 0 | 0 | 109.8 | H1168 A1172 L1217 I1227 | E1148-H1168 HydrophobicContact CB-CB 4.18Å; E1148-H1168 WeakPolarHBondContact O-CB 3.48Å; E1148-H1168 PolarHBondContact O-N 3.27Å; E1148-H1168 IonicContact OE1-CE1 2.87Å; E1148-H1168 PolarHBondContact OE1-CE1 3.12Å; E1148-A1172 HydrophobicContact CB-CB 4.09Å; E1148-L1217 CarbonylContact C-O 3.51Å; E1148-L1217 WeakPolarHBondContact CA-O 3.5Å; E1148-I1227 HydrophobicContact CG-CD1 4.08Å |
| 1149 | I | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 121.7 | -175 | -56.6 | 169.8 | 0 | 0 | 0 | 107.6 | K1147 V1151 V1165 S1166 L1188 I1196 Q1216 L1217 A1219 L1224 | K1147-I1149 HydrophobicContact CG-CG1 4.47Å; I1149-V1151 HydrophobicContact CG2-CG2 4.27Å; I1149-V1165 HydrophobicContact CG2-CG1 3.61Å; I1149-S1166 WeakPolarHBondContact CA-O 3.33Å; I1149-L1188 HydrophobicContact CD1-CD1 3.92Å; I1149-L1188 HydrophobicContact CD1-CD2 3.85Å; I1149-L1188 HydrophobicContact CG1-CD1 4.34Å; I1149-L1188 HydrophobicContact CG1-CD2 4.46Å; I1149-L1188 HydrophobicContact CG2-CD1 4.43Å; I1149-I1196 HydrophobicContact CD1-CD1 3.85Å; I1149-I1196 HydrophobicContact CG2-CD1 3.93Å; I1149-Q1216 WeakPolarHBondContact O-CA 3.4Å; I1149-L1217 HydrophobicContact CB-CB 4.23Å; I1149-L1217 PolarHBondContact N-O 2.78Å; I1149-L1217 PolarHBondContact O-N 3.02Å; I1149-A1219 HydrophobicContact CD1-CB 3.76Å; I1149-L1224 HydrophobicContact CD1-CD2 4.13Å |
| 1150 | D | 95.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.5 | 172.5 | -90.3 | -50.3 | 0 | 0 | 0 | 109.7 | S1166 H1168 S1176 Q1216 | D1150-S1166 PolarHBondContact N-O 3.48Å; D1150-S1166 PolarHBondContact O-N 3.4Å; D1150-H1168 IonicContact OD2-CD2 3.42Å; D1150-H1168 IonicContact OD2-CE1 3.01Å; D1150-H1168 IonicContact OD2-NE2 3.37Å; D1150-H1168 PolarHBondContact OD2-NE2 2.95Å; D1150-S1176 WeakPolarHBondContact OD2-CB 3.4Å; D1150-Q1216 WeakPolarHBondContact OD1-CG 3.3Å |
| 1151 | V | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118.4 | 174.2 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | I1149 M1163 A1164 V1165 I1196 T1200 N1214 M1215 L1217 | I1149-V1151 HydrophobicContact CG2-CG2 4.27Å; V1151-M1163 HydrophobicContact CG1-CE 4.08Å; V1151-A1164 WeakPolarHBondContact CA-O 3.18Å; V1151-A1164 WeakPolarHBondContact CG1-O 3.32Å; V1151-V1165 HydrophobicContact CG1-CG2 4.23Å; V1151-V1165 HydrophobicContact CG2-CG2 4.25Å; V1151-I1196 HydrophobicContact CG2-CG2 3.57Å; V1151-T1200 HydrophobicContact CG1-CG2 4.18Å; V1151-N1214 CarbonylContact O-C 3.58Å; V1151-N1214 WeakPolarHBondContact O-CA 3.49Å; V1151-M1215 HydrophobicContact CB-CG 3.57Å; V1151-M1215 HydrophobicContact CB-SD 4.24Å; V1151-M1215 HydrophobicContact CG1-CG 4.28Å; V1151-M1215 HydrophobicContact CG1-SD 4.48Å; V1151-M1215 HydrophobicContact CG2-CG 4.13Å; V1151-M1215 PolarHBondContact N-O 3.15Å; V1151-M1215 PolarHBondContact O-N 3.28Å; V1151-L1217 HydrophobicContact CG2-CD1 3.89Å |
| 1152 | D | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.6 | 172.5 | -66.3 | -51.8 | 0 | 0 | 0 | 108.9 | M1163 A1164 N1214 S1234 S1236 F1237 V1240 | D1152-M1163 CarbonylContact O-C 3.28Å; D1152-M1163 VanDerWaalsContact O-CA 3.31Å; D1152-M1163 WeakPolarHBondContact O-CA 3.3Å; D1152-A1164 PolarHBondContact N-O 3.34Å; D1152-A1164 PolarHBondContact O-N 3.43Å; D1152-N1214 PolarHBondContact OD1-ND2 3.48Å; D1152-S1234 WeakPolarHBondContact OD1-CB 3.24Å; D1152-S1234 PolarHBondContact OD1-OG 3.29Å; D1152-S1236 VanDerWaalsContact CG-OG 3.27Å; D1152-S1236 PolarHBondContact OD1-OG 3.06Å; D1152-S1236 WeakPolarHBondContact OD2-CB 3.39Å; D1152-S1236 PolarHBondContact OD2-OG 3.16Å; D1152-F1237 HydrophobicContact CB-CD2 3.88Å; D1152-F1237 HydrophobicContact CB-CE2 3.62Å; D1152-F1237 HydrophobicContact CB-CZ 4.34Å; D1152-F1237 WeakPolarHBondContact OD1-CD2 3.32Å; D1152-F1237 WeakPolarHBondContact OD1-CE2 3.34Å; D1152-V1240 HydrophobicContact CB-CG2 4.17Å |
| 1153 | A | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1160 C1162 M1163 T1200 F1213 | A1153-I1160 HydrophobicContact CB-CD1 4.42Å; A1153-C1162 WeakPolarHBondContact CA-O 3.41Å; A1153-M1163 HydrophobicContact CB-CB 4Å; A1153-T1200 HydrophobicContact CB-CG2 4.11Å; A1153-F1213 HydrophobicContact CB-CD1 4.06Å; A1153-F1213 HydrophobicContact CB-CE1 3.38Å; A1153-F1213 HydrophobicContact CB-CE2 4.16Å; A1153-F1213 HydrophobicContact CB-CZ 3.44Å; A1153-F1213 VanDerWaalsContact CB-CZ 3.44Å; A1153-F1213 PolarHBondContact N-O 2.9Å; A1153-F1213 WeakPolarHBondContact O-CD1 3.21Å; A1153-F1213 PolarHBondContact O-N 3.19Å; A1153-F1213 VanDerWaalsContact O-O 3.06Å |
| 1154 | V | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.4 | 171.9 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | L1161 C1162 G1211 F1237 F1248 T1251 A1252 | V1154-L1161 HydrophobicContact CG1-CD1 4.17Å; V1154-L1161 PolarHBondContact O-N 3.23Å; V1154-C1162 PolarHBondContact N-O 3.04Å; V1154-G1211 WeakPolarHBondContact CA-O 3.43Å; V1154-F1237 HydrophobicContact CG2-CE1 4.21Å; V1154-F1248 HydrophobicContact CG2-CB 4.1Å; V1154-F1248 HydrophobicContact CG2-CD1 3.96Å; V1154-F1248 HydrophobicContact CG2-CG 4.37Å; V1154-F1248 WeakPolarHBondContact CG2-O 3.32Å; V1154-T1251 HydrophobicContact CB-CG2 4.24Å; V1154-T1251 HydrophobicContact CG1-CG2 3.95Å; V1154-A1252 VanDerWaalsContact CG1-CA 3.47Å; V1154-A1252 HydrophobicContact CG1-CB 3.8Å; V1154-A1252 HydrophobicContact CG2-CB 4.04Å |
| 1155 | A | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 160.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1159 I1160 A1204 V1209 T1210 G1211 F1213 | A1155-R1159 CarbonylContact C-O 3.55Å; A1155-R1159 WeakPolarHBondContact CA-O 3.33Å; A1155-R1159 WeakPolarHBondContact CB-O 3.36Å; A1155-I1160 HydrophobicContact CB-CD1 4.23Å; A1155-A1204 HydrophobicContact CB-CB 4.08Å; A1155-V1209 CarbonylContact C-O 3.56Å; A1155-V1209 HydrophobicContact CB-CB 4Å; A1155-V1209 HydrophobicContact CB-CG1 4.07Å; A1155-V1209 WeakPolarHBondContact CB-O 3.48Å; A1155-T1210 CarbonylContact O-C 3.52Å; A1155-T1210 WeakPolarHBondContact O-CA 3.44Å; A1155-G1211 PolarHBondContact N-O 2.99Å; A1155-G1211 PolarHBondContact O-N 2.88Å; A1155-F1213 HydrophobicContact CB-CD1 4.47Å; A1155-F1213 HydrophobicContact CB-CE1 3.98Å |
| 1156 | S | 94.2 | Very high | 94.3 | Very high | 31 Ų | 31 | 19.6 Ų | 19.6 | 22% | 0.217 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 120.6 | 168.7 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | G1158 R1159 | S1156-G1158 PolarHBondContact O-N 2.83Å; S1156-R1159 PolarHBondContact N-O 3.42Å; S1156-R1159 WeakPolarHBondContact O-CB 3.39Å; S1156-R1159 PolarHBondContact O-N 3.33Å |
| 1157 | D | 88.4 | Confident | 94.5 | Very high | 92 Ų | 92 | 19.7 Ų | 19.7 | 49% | 0.492 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 39.5 | -173.1 | -63.2 | -43.7 | 0 | 0 | 0 | 112.7 | R1159 V1209 T1210 | D1157-R1159 VanDerWaalsContact C-N 3.26Å; D1157-R1159 PolarHBondContact O-N 2.98Å; D1157-V1209 PolarHBondContact N-O 2.97Å; D1157-T1210 PolarHBondContact N-OG1 3.13Å |
| 1158 | G | 87.7 | Confident | 94.7 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 8% | 0.082 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 2.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | S1156 A1204 S1205 V1209 | S1156-G1158 PolarHBondContact O-N 2.83Å; G1158-A1204 WeakPolarHBondContact CA-O 3.14Å; G1158-A1204 WeakPolarHBondContact O-CB 3.2Å; G1158-S1205 PolarHBondContact O-N 2.89Å; G1158-V1209 PolarHBondContact N-O 3.07Å |
| 1159 | R | 89.4 | Confident | 94.7 | Very high | 170 Ų | 170 | 18.2 Ų | 18.2 | 64% | 0.642 | 9% | 0.089 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 125 | 171.1 | -177.1 | -176.7 | -179.9 | -177.8 | 0.9 | 110.3 | A1155 S1156 D1157 L1161 | A1155-R1159 CarbonylContact C-O 3.55Å; A1155-R1159 WeakPolarHBondContact CA-O 3.33Å; A1155-R1159 WeakPolarHBondContact CB-O 3.36Å; S1156-R1159 PolarHBondContact N-O 3.42Å; S1156-R1159 WeakPolarHBondContact O-CB 3.39Å; S1156-R1159 PolarHBondContact O-N 3.33Å; D1157-R1159 VanDerWaalsContact C-N 3.26Å; D1157-R1159 PolarHBondContact O-N 2.98Å; R1159-L1161 PolarHBondContact O-N 2.95Å |
| 1160 | I | 94.2 | Very high | 94.6 | Very high | 25 Ų | 25 | 18.6 Ų | 18.6 | 13% | 0.128 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 129.5 | 176.3 | -54.4 | -57.5 | 0 | 0 | 0 | 110.7 | A1153 A1155 M1163 T1200 A1204 F1213 | A1153-I1160 HydrophobicContact CB-CD1 4.42Å; A1155-I1160 HydrophobicContact CB-CD1 4.23Å; I1160-M1163 HydrophobicContact CG2-CB 4.17Å; I1160-T1200 HydrophobicContact CD1-CG2 3.92Å; I1160-T1200 HydrophobicContact CG1-CG2 4.48Å; I1160-A1204 HydrophobicContact CD1-CB 3.54Å; I1160-F1213 HydrophobicContact CD1-CE1 3.78Å; I1160-F1213 HydrophobicContact CD1-CZ 3.61Å |
| 1161 | L | 94.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.052 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -46.2 | 173.3 | -61.5 | -177.6 | 0 | 0 | 0 | 111.1 | V1154 R1159 T1251 A1255 V1261 P1263 L1264 | V1154-L1161 HydrophobicContact CG1-CD1 4.17Å; V1154-L1161 PolarHBondContact O-N 3.23Å; R1159-L1161 PolarHBondContact O-N 2.95Å; L1161-T1251 HydrophobicContact CB-CG2 3.92Å; L1161-T1251 HydrophobicContact CD1-CG2 3.96Å; L1161-A1255 HydrophobicContact CD1-CB 3.89Å; L1161-V1261 HydrophobicContact CD1-CB 3.98Å; L1161-V1261 HydrophobicContact CD1-CG1 4.37Å; L1161-V1261 WeakPolarHBondContact CD2-O 3.32Å; L1161-P1263 HydrophobicContact CD2-CG 4.16Å; L1161-P1263 CarbonylContact O-C 3.6Å; L1161-P1263 WeakPolarHBondContact O-CA 3.22Å; L1161-L1264 PolarHBondContact O-N 2.97Å |
| 1162 | C | 95.3 | Very high | 94 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 154.8 | 172.7 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | A1153 V1154 F1248 V1266 | A1153-C1162 WeakPolarHBondContact CA-O 3.41Å; V1154-C1162 PolarHBondContact N-O 3.04Å; C1162-F1248 HydrophobicContact CB-CE1 4.4Å; C1162-F1248 HydrophobicContact CB-CZ 4.23Å; C1162-V1266 HydrophobicContact CB-CG2 4.3Å |
| 1163 | M | 95.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 5% | 0.054 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 145.9 | 179 | 66.2 | 179.2 | -69.7 | 0 | 0 | 111.6 | V1151 D1152 A1153 I1160 V1165 I1196 K1197 V1266 L1267 | V1151-M1163 HydrophobicContact CG1-CE 4.08Å; D1152-M1163 CarbonylContact O-C 3.28Å; D1152-M1163 VanDerWaalsContact O-CA 3.31Å; D1152-M1163 WeakPolarHBondContact O-CA 3.3Å; A1153-M1163 HydrophobicContact CB-CB 4Å; I1160-M1163 HydrophobicContact CG2-CB 4.17Å; M1163-V1165 HydrophobicContact CE-CG2 3.84Å; M1163-I1196 HydrophobicContact CE-CG2 4.43Å; M1163-K1197 HydrophobicContact CE-CB 4.29Å; M1163-K1197 HydrophobicContact SD-CB 4.26Å; M1163-K1197 HydrophobicContact SD-CG 3.89Å; M1163-V1266 WeakPolarHBondContact O-CG2 3.42Å; M1163-L1267 HydrophobicContact CE-CD1 4.26Å; M1163-L1267 HydrophobicContact CG-CD1 4.38Å |
| 1164 | A | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 139.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109 | V1151 D1152 V1240 L1244 F1248 | V1151-A1164 WeakPolarHBondContact CA-O 3.18Å; V1151-A1164 WeakPolarHBondContact CG1-O 3.32Å; D1152-A1164 PolarHBondContact N-O 3.34Å; D1152-A1164 PolarHBondContact O-N 3.43Å; A1164-V1240 HydrophobicContact CB-CB 3.65Å; A1164-V1240 HydrophobicContact CB-CG1 3.8Å; A1164-V1240 HydrophobicContact CB-CG2 3.97Å; A1164-L1244 HydrophobicContact CB-CD1 3.51Å; A1164-F1248 HydrophobicContact CB-CE1 4.1Å; A1164-F1248 HydrophobicContact CB-CZ 3.78Å |
| 1165 | V | 96.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.7 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 108 | I1149 V1151 M1163 P1185 L1188 L1193 I1196 L1267 | I1149-V1165 HydrophobicContact CG2-CG1 3.61Å; V1151-V1165 HydrophobicContact CG1-CG2 4.23Å; V1151-V1165 HydrophobicContact CG2-CG2 4.25Å; M1163-V1165 HydrophobicContact CE-CG2 3.84Å; V1165-P1185 HydrophobicContact CB-CG 4.32Å; V1165-P1185 HydrophobicContact CG1-CG 4.08Å; V1165-P1185 WeakPolarHBondContact O-CD 3.48Å; V1165-L1188 HydrophobicContact CG1-CD1 4.07Å; V1165-L1193 HydrophobicContact CB-CD1 4.18Å; V1165-L1193 HydrophobicContact CG1-CD1 4.2Å; V1165-L1193 HydrophobicContact CG2-CD1 4.03Å; V1165-I1196 HydrophobicContact CG1-CD1 4.07Å; V1165-I1196 HydrophobicContact CG2-CG2 4Å; V1165-L1267 HydrophobicContact CB-CD1 4.03Å; V1165-L1267 HydrophobicContact CG2-CD1 3.55Å |
| 1166 | S | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.4 | -179.9 | -50.3 | 0 | 0 | 0 | 0 | 108.9 | I1149 D1150 V1182 T1183 | I1149-S1166 WeakPolarHBondContact CA-O 3.33Å; D1150-S1166 PolarHBondContact N-O 3.48Å; D1150-S1166 PolarHBondContact O-N 3.4Å; S1166-V1182 WeakPolarHBondContact CA-O 3.37Å; S1166-T1183 WeakPolarHBondContact CB-OG1 2.84Å; S1166-T1183 PolarHBondContact OG-OG1 3.2Å |
| 1167 | E | 94.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.019 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 138 | 175.4 | 62.4 | 179 | 167.9 | 0 | 0 | 111 | K1147 L1181 V1182 P1185 Q1186 D1187 | K1147-E1167 HydrophobicContact CD-CB 4.33Å; K1147-E1167 IonicContact NZ-OE2 2.69Å; K1147-E1167 PolarHBondContact NZ-OE2 3.08Å; E1167-L1181 WeakPolarHBondContact O-CA 2.98Å; E1167-V1182 HydrophobicContact CG-CB 3.86Å; E1167-V1182 HydrophobicContact CG-CG2 4.4Å; E1167-V1182 PolarHBondContact N-O 3.3Å; E1167-V1182 VanDerWaalsContact N-O 3.14Å; E1167-V1182 PolarHBondContact O-N 3.25Å; E1167-P1185 HydrophobicContact CB-CB 4.37Å; E1167-P1185 HydrophobicContact CG-CB 4.2Å; E1167-Q1186 PolarHBondContact OE1-N 2.83Å; E1167-D1187 PolarHBondContact OE1-N 2.89Å; E1167-D1187 WeakPolarHBondContact OE2-CB 3.19Å; E1167-D1187 PolarHBondContact OE2-N 3.05Å |
| 1168 | H | 95.4 | Very high | 92 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 141.1 | 167.6 | -70.7 | -153.4 | 0 | 0 | 0 | 109.6 | E1148 D1150 A1179 T1180 L1181 | E1148-H1168 HydrophobicContact CB-CB 4.18Å; E1148-H1168 WeakPolarHBondContact O-CB 3.48Å; E1148-H1168 PolarHBondContact O-N 3.27Å; E1148-H1168 IonicContact OE1-CE1 2.87Å; E1148-H1168 PolarHBondContact OE1-CE1 3.12Å; D1150-H1168 IonicContact OD2-CD2 3.42Å; D1150-H1168 IonicContact OD2-CE1 3.01Å; D1150-H1168 IonicContact OD2-NE2 3.37Å; D1150-H1168 PolarHBondContact OD2-NE2 2.95Å; H1168-A1179 HydrophobicContact CB-CB 4.41Å; H1168-A1179 VanDerWaalsContact ND1-CB 3.29Å; H1168-A1179 WeakPolarHBondContact ND1-CB 3.48Å; H1168-T1180 WeakPolarHBondContact CA-O 3.31Å; H1168-L1181 WeakPolarHBondContact CD2-CD2 3.3Å; H1168-L1181 WeakPolarHBondContact NE2-CD2 3.07Å |
| 1169 | V | 95.3 | Very high | 92.3 | Very high | 25 Ų | 25 | 18.6 Ų | 18.6 | 15% | 0.152 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -45.5 | 169 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | T1180 V1182 K1446 L1450 | V1169-T1180 HydrophobicContact CB-CG2 4.28Å; V1169-T1180 HydrophobicContact CG2-CG2 3.65Å; V1169-T1180 PolarHBondContact N-O 3.16Å; V1169-V1182 HydrophobicContact CG2-CG2 3.89Å; V1169-K1446 HydrophobicContact CG1-CB 4.17Å; V1169-K1446 WeakPolarHBondContact O-CB 3.35Å; V1169-K1446 WeakPolarHBondContact O-CG 3.17Å; V1169-L1450 HydrophobicContact CB-CD2 4.45Å; V1169-L1450 HydrophobicContact CG1-CB 4.27Å; V1169-L1450 HydrophobicContact CG1-CD2 3.82Å; V1169-L1450 HydrophobicContact CG2-CD2 3.72Å |
| 1170 | E | 93.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 10.7 Ų | 10.7 | 3% | 0.033 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 156 | 175.1 | -61.4 | 80.8 | 175.5 | 0 | 0 | 111.1 | V1174 A1179 T1180 D1444 C1447 | E1170-V1174 HydrophobicContact CB-CB 4.17Å; E1170-V1174 HydrophobicContact CB-CG2 3.92Å; E1170-V1174 HydrophobicContact CG-CG2 4.27Å; E1170-A1179 WeakPolarHBondContact OE2-CA 3.47Å; E1170-T1180 VanDerWaalsContact CD-N 3.32Å; E1170-T1180 WeakPolarHBondContact OE1-CB 3.17Å; E1170-T1180 PolarHBondContact OE1-N 3.29Å; E1170-T1180 PolarHBondContact OE1-OG1 3.43Å; E1170-T1180 WeakPolarHBondContact OE2-CB 3.45Å; E1170-T1180 PolarHBondContact OE2-N 3.43Å; E1170-D1444 HydrophobicContact CG-CB 4.43Å; E1170-C1447 PolarHBondContact OE1-SG 3.12Å |
| 1171 | N | 90.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 9.7 Ų | 9.7 | 21% | 0.209 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 155.6 | 171.1 | -63.6 | -56.2 | 0 | 0 | 0 | 110.6 | G1173 K1446 | N1171-G1173 PolarHBondContact O-N 3.41Å; N1171-K1446 WeakPolarHBondContact OD1-CE 3.34Å |
| 1172 | A | 88.2 | Confident | 92.9 | Very high | 9 Ų | 9 | 9.2 Ų | 9.2 | 7% | 0.074 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 137.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1146 E1148 I1218 | A1146-A1172 HydrophobicContact CB-CB 4.25Å; A1146-A1172 WeakPolarHBondContact O-CB 3.34Å; A1146-A1172 PolarHBondContact O-N 3.08Å; E1148-A1172 HydrophobicContact CB-CB 4.09Å; A1172-I1218 HydrophobicContact CB-CD1 4.29Å; A1172-I1218 HydrophobicContact CB-CG1 4.3Å |
| 1173 | G | 84.7 | Confident | 93 | Very high | 19 Ų | 19 | 9.1 Ų | 9.1 | 20% | 0.196 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 109.6 | -0.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1171 G1293 V1294 | N1171-G1173 PolarHBondContact O-N 3.41Å; G1173-G1293 CarbonylContact O-C 3.58Å; G1173-G1293 WeakPolarHBondContact O-CA 3.5Å; G1173-V1294 PolarHBondContact O-N 3.31Å |
| 1174 | V | 89 | Confident | 92.9 | Very high | 15 Ų | 15 | 9.1 Ų | 9.1 | 9% | 0.091 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -96.7 | 127.4 | 159.9 | 177.1 | 0 | 0 | 0 | 0 | 107.1 | E1170 S1176 D1178 A1179 L1292 G1293 | E1170-V1174 HydrophobicContact CB-CB 4.17Å; E1170-V1174 HydrophobicContact CB-CG2 3.92Å; E1170-V1174 HydrophobicContact CG-CG2 4.27Å; V1174-S1176 PolarHBondContact O-N 3.45Å; V1174-D1178 HydrophobicContact CG1-CB 3.81Å; V1174-A1179 HydrophobicContact CG1-CB 4.25Å; V1174-L1292 HydrophobicContact CG1-CB 4.06Å; V1174-L1292 HydrophobicContact CG1-CD1 3.97Å; V1174-L1292 HydrophobicContact CG2-CB 4.06Å; V1174-G1293 WeakPolarHBondContact CA-O 3.33Å |
| 1175 | H | 88.6 | Confident | 92.8 | Very high | 34 Ų | 34 | 10 Ų | 10 | 16% | 0.157 | 6% | 0.062 | C | C | . | . | trans | -56.6 | 136.8 | 177.3 | -170.8 | -77 | 0 | 0 | 0 | 110 | G1177 D1178 A1179 G1293 V1294 M1296 | H1175-G1177 WeakPolarHBondContact ND1-CA 3.26Å; H1175-G1177 PolarHBondContact ND1-N 3.02Å; H1175-G1177 CarbonylContact O-C 3.31Å; H1175-G1177 WeakPolarHBondContact O-CA 3.45Å; H1175-G1177 PolarHBondContact O-N 3.11Å; H1175-D1178 PolarHBondContact O-N 2.85Å; H1175-A1179 PolarHBondContact O-N 3.34Å; H1175-G1293 PolarHBondContact N-O 2.96Å; H1175-V1294 PolarHBondContact CD2-O 3.2Å; H1175-M1296 HydrophobicContact CB-CB 4.31Å | ||
| 1176 | S | 87 | Confident | 92.5 | Very high | 17 Ų | 17 | 14.5 Ų | 14.5 | 12% | 0.119 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -49.2 | -38.4 | 178.6 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | D1150 V1174 D1178 A1179 Q1216 K1276 | D1150-S1176 WeakPolarHBondContact OD2-CB 3.4Å; V1174-S1176 PolarHBondContact O-N 3.45Å; S1176-D1178 PolarHBondContact O-N 2.83Å; S1176-A1179 PolarHBondContact O-N 3.34Å; S1176-Q1216 PolarHBondContact OG-NE2 3.28Å; S1176-K1276 PolarHBondContact O-NZ 3.29Å |
| 1177 | G | 88 | Confident | 92.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -1 | -83.7 | 139.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | H1175 R1235 K1276 S1298 | H1175-G1177 WeakPolarHBondContact ND1-CA 3.26Å; H1175-G1177 PolarHBondContact ND1-N 3.02Å; H1175-G1177 CarbonylContact O-C 3.31Å; H1175-G1177 WeakPolarHBondContact O-CA 3.45Å; H1175-G1177 PolarHBondContact O-N 3.11Å; G1177-R1235 VanDerWaalsContact C-NH2 3.34Å; G1177-R1235 VanDerWaalsContact CA-NH1 3.32Å; G1177-R1235 VanDerWaalsContact CA-NH2 3.26Å; G1177-R1235 PolarHBondContact O-NH1 3.02Å; G1177-R1235 PolarHBondContact O-NH2 2.81Å; G1177-K1276 PolarHBondContact O-NZ 3.18Å; G1177-S1298 PolarHBondContact O-OG 3.03Å |
| 1178 | D | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -96.3 | -1.1 | -170.5 | -62.6 | -10.7 | 0 | 0 | 0 | 111.3 | V1174 H1175 S1176 P1278 F1280 L1292 M1296 A1297 S1298 | V1174-D1178 HydrophobicContact CG1-CB 3.81Å; H1175-D1178 PolarHBondContact O-N 2.85Å; S1176-D1178 PolarHBondContact O-N 2.83Å; D1178-P1278 VanDerWaalsContact O-CG 3.3Å; D1178-P1278 WeakPolarHBondContact O-CG 3.13Å; D1178-F1280 HydrophobicContact CB-CE1 4.03Å; D1178-F1280 HydrophobicContact CB-CZ 3.96Å; D1178-L1292 HydrophobicContact CB-CD1 4.22Å; D1178-L1292 HydrophobicContact CB-CD2 4.17Å; D1178-M1296 VanDerWaalsContact OD1-CG 3.28Å; D1178-M1296 WeakPolarHBondContact OD1-CG 3.39Å; D1178-M1296 WeakPolarHBondContact OD2-CA 3.47Å; D1178-A1297 PolarHBondContact OD1-N 3.37Å; D1178-A1297 PolarHBondContact OD2-N 3.03Å; D1178-S1298 WeakPolarHBondContact OD1-CB 3.41Å; D1178-S1298 PolarHBondContact OD1-N 3.1Å; D1178-S1298 PolarHBondContact OD1-OG 3.16Å |
| 1179 | A | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -82.4 | 146.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H1168 E1170 V1174 H1175 S1176 L1181 K1276 | H1168-A1179 HydrophobicContact CB-CB 4.41Å; H1168-A1179 VanDerWaalsContact ND1-CB 3.29Å; H1168-A1179 WeakPolarHBondContact ND1-CB 3.48Å; E1170-A1179 WeakPolarHBondContact OE2-CA 3.47Å; V1174-A1179 HydrophobicContact CG1-CB 4.25Å; H1175-A1179 PolarHBondContact O-N 3.34Å; S1176-A1179 PolarHBondContact O-N 3.34Å; A1179-L1181 HydrophobicContact CB-CD2 4.27Å; A1179-K1276 PolarHBondContact O-NZ 2.92Å |
| 1180 | T | 96.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | trans | -79.8 | 121.9 | 165.9 | -55.5 | 0 | 0 | 0 | 0 | 108.7 | H1168 V1169 E1170 V1275 K1276 V1277 Y1313 | H1168-T1180 WeakPolarHBondContact CA-O 3.31Å; V1169-T1180 HydrophobicContact CB-CG2 4.28Å; V1169-T1180 HydrophobicContact CG2-CG2 3.65Å; V1169-T1180 PolarHBondContact N-O 3.16Å; E1170-T1180 VanDerWaalsContact CD-N 3.32Å; E1170-T1180 WeakPolarHBondContact OE1-CB 3.17Å; E1170-T1180 PolarHBondContact OE1-N 3.29Å; E1170-T1180 PolarHBondContact OE1-OG1 3.43Å; E1170-T1180 WeakPolarHBondContact OE2-CB 3.45Å; E1170-T1180 PolarHBondContact OE2-N 3.43Å; T1180-V1275 HydrophobicContact CG2-CG1 3.72Å; T1180-K1276 CarbonylContact C-O 3.58Å; T1180-K1276 WeakPolarHBondContact CA-O 3.44Å; T1180-K1276 WeakPolarHBondContact CG2-O 3.41Å; T1180-V1277 HydrophobicContact CG2-CG2 4.05Å; T1180-Y1313 HydrophobicContact CG2-CD2 3.85Å; T1180-Y1313 HydrophobicContact CG2-CE2 3.82Å | ||
| 1181 | L | 96.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 139.6 | -177.5 | -57.6 | -176.5 | 0 | 0 | 0 | 111.3 | E1167 H1168 A1179 F1239 V1275 K1276 | E1167-L1181 WeakPolarHBondContact O-CA 2.98Å; H1168-L1181 WeakPolarHBondContact CD2-CD2 3.3Å; H1168-L1181 WeakPolarHBondContact NE2-CD2 3.07Å; A1179-L1181 HydrophobicContact CB-CD2 4.27Å; L1181-F1239 HydrophobicContact CB-CE1 3.97Å; L1181-V1275 CarbonylContact O-C 3.53Å; L1181-V1275 VanDerWaalsContact O-CA 3.28Å; L1181-V1275 WeakPolarHBondContact O-CA 3.37Å; L1181-K1276 HydrophobicContact CB-CB 4.34Å; L1181-K1276 HydrophobicContact CB-CD 4.21Å; L1181-K1276 HydrophobicContact CD1-CD 3.98Å; L1181-K1276 HydrophobicContact CG-CD 3.91Å; L1181-K1276 PolarHBondContact N-O 3Å; L1181-K1276 PolarHBondContact O-N 2.87Å |
| 1182 | V | 97.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.5 | 174.1 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | S1166 E1167 V1169 Q1186 V1273 V1275 R1309 | S1166-V1182 WeakPolarHBondContact CA-O 3.37Å; E1167-V1182 HydrophobicContact CG-CB 3.86Å; E1167-V1182 HydrophobicContact CG-CG2 4.4Å; E1167-V1182 PolarHBondContact N-O 3.3Å; E1167-V1182 VanDerWaalsContact N-O 3.14Å; E1167-V1182 PolarHBondContact O-N 3.25Å; V1169-V1182 HydrophobicContact CG2-CG2 3.89Å; V1182-Q1186 HydrophobicContact CG1-CB 4.48Å; V1182-Q1186 HydrophobicContact CG1-CG 3.94Å; V1182-V1273 HydrophobicContact CG1-CG1 3.7Å; V1182-V1275 HydrophobicContact CG1-CG2 4.29Å; V1182-V1275 HydrophobicContact CG2-CG2 4.17Å; V1182-R1309 HydrophobicContact CG1-CB 3.89Å |
| 1183 | T | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.7 | -178.4 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | S1166 F1239 V1240 T1243 L1244 G1274 | S1166-T1183 WeakPolarHBondContact CB-OG1 2.84Å; S1166-T1183 PolarHBondContact OG-OG1 3.2Å; T1183-F1239 WeakPolarHBondContact OG1-CE1 3.22Å; T1183-V1240 HydrophobicContact CG2-CG1 4.27Å; T1183-T1243 HydrophobicContact CG2-CG2 4.4Å; T1183-T1243 VanDerWaalsContact O-CG2 3.26Å; T1183-T1243 WeakPolarHBondContact O-CG2 3.4Å; T1183-L1244 HydrophobicContact CG2-CD1 4.42Å; T1183-L1244 HydrophobicContact CG2-CD2 4.07Å; T1183-L1244 HydrophobicContact CG2-CG 4.26Å; T1183-G1274 PolarHBondContact N-O 3.35Å; T1183-G1274 PolarHBondContact O-N 3.08Å |
| 1184 | P | 94.5 | Very high | 90.5 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 7% | 0.071 | 20% | 0.204 | C | C | . | . | S | Bend | cis | -55.8 | 160.5 | -17.6 | -20.6 | 32.4 | 0 | 0 | 0 | 111.9 | Q1186 L1244 | P1184-Q1186 PolarHBondContact O-NE2 2.89Å; P1184-L1244 HydrophobicContact CG-CD2 3.87Å |
| 1185 | P | 92.6 | Very high | 90.6 | Very high | 19 Ų | 19 | 38 Ų | 38 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | trans | -65.1 | 140.4 | -178.1 | 29.9 | -32.4 | 0 | 0 | 0 | 110.1 | V1165 E1167 L1188 L1193 | V1165-P1185 HydrophobicContact CB-CG 4.32Å; V1165-P1185 HydrophobicContact CG1-CG 4.08Å; V1165-P1185 WeakPolarHBondContact O-CD 3.48Å; E1167-P1185 HydrophobicContact CB-CB 4.37Å; E1167-P1185 HydrophobicContact CG-CB 4.2Å; P1185-L1188 HydrophobicContact CB-CB 4.24Å; P1185-L1188 HydrophobicContact CB-CD1 3.66Å; P1185-L1188 HydrophobicContact CB-CG 3.93Å; P1185-L1188 HydrophobicContact CG-CD1 4.06Å; P1185-L1193 HydrophobicContact CG-CD1 4.32Å | ||
| 1186 | Q | 90.8 | Very high | 90.8 | Very high | 95 Ų | 95 | 36.3 Ų | 36.3 | 44% | 0.444 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -112.1 | -15 | -176.4 | -64.4 | -66.5 | -72.1 | 0 | 0 | 112.6 | E1167 V1182 P1184 V1273 R1309 | E1167-Q1186 PolarHBondContact OE1-N 2.83Å; V1182-Q1186 HydrophobicContact CG1-CB 4.48Å; V1182-Q1186 HydrophobicContact CG1-CG 3.94Å; P1184-Q1186 PolarHBondContact O-NE2 2.89Å; Q1186-V1273 HydrophobicContact CG-CG1 4.14Å; Q1186-V1273 HydrophobicContact CG-CG2 4.15Å; Q1186-R1309 HydrophobicContact CG-CB 4.21Å |
| 1187 | D | 86.7 | Confident | 91.1 | Very high | 94 Ų | 94 | 38.8 Ų | 38.8 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -127.7 | 36.5 | -176.8 | -176.8 | 47.4 | 0 | 0 | 0 | 112 | K1147 E1167 R1309 | K1147-D1187 VanDerWaalsContact NZ-CG 3.32Å; K1147-D1187 PolarHBondContact NZ-O 2.78Å; K1147-D1187 IonicContact NZ-OD2 3.46Å; K1147-D1187 PolarHBondContact NZ-OD2 3.01Å; E1167-D1187 PolarHBondContact OE1-N 2.89Å; E1167-D1187 WeakPolarHBondContact OE2-CB 3.19Å; E1167-D1187 PolarHBondContact OE2-N 3.05Å; D1187-R1309 VanDerWaalsContact CB-NH1 3.31Å |
| 1188 | L | 87.4 | Confident | 91.3 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 19% | 0.194 | 24% | 0.238 | C | C | . | . | trans | -119.2 | 138.2 | 167.5 | -63.1 | -178.2 | 0 | 0 | 0 | 109.7 | K1147 I1149 V1165 P1185 T1192 I1196 | K1147-L1188 HydrophobicContact CD-CD2 3.9Å; I1149-L1188 HydrophobicContact CD1-CD1 3.92Å; I1149-L1188 HydrophobicContact CD1-CD2 3.85Å; I1149-L1188 HydrophobicContact CG1-CD1 4.34Å; I1149-L1188 HydrophobicContact CG1-CD2 4.46Å; I1149-L1188 HydrophobicContact CG2-CD1 4.43Å; V1165-L1188 HydrophobicContact CG1-CD1 4.07Å; P1185-L1188 HydrophobicContact CB-CB 4.24Å; P1185-L1188 HydrophobicContact CB-CD1 3.66Å; P1185-L1188 HydrophobicContact CB-CG 3.93Å; P1185-L1188 HydrophobicContact CG-CD1 4.06Å; L1188-T1192 HydrophobicContact CD2-CG2 4.45Å; L1188-I1196 HydrophobicContact CD1-CD1 4.11Å | ||
| 1189 | N | 85 | Confident | 91.4 | Very high | 75 Ų | 75 | 47 Ų | 47 | 40% | 0.401 | 24% | 0.241 | S | C | . | . | trans | -82 | 161.3 | 174.7 | 66.8 | 33.6 | 0 | 0 | 0 | 111.6 | E1191 T1192 L1193 | N1189-E1191 VanDerWaalsContact C-N 3.3Å; N1189-E1191 PolarHBondContact O-N 3.1Å; N1189-E1191 PolarHBondContact OD1-N 2.92Å; N1189-T1192 PolarHBondContact O-N 3.43Å; N1189-T1192 WeakPolarHBondContact OD1-CB 3.22Å; N1189-T1192 PolarHBondContact OD1-N 2.81Å; N1189-T1192 PolarHBondContact OD1-OG1 3.03Å; N1189-L1193 PolarHBondContact O-N 3.47Å | ||
| 1190 | A | 84.4 | Confident | 91.4 | Very high | 81 Ų | 81 | 47 Ų | 47 | 67% | 0.669 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.9 | -34.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1193 E1194 | A1190-L1193 PolarHBondContact O-N 3.49Å; A1190-E1194 PolarHBondContact O-N 3.46Å |
| 1191 | E | 85.9 | Confident | 91.2 | Very high | 144 Ų | 144 | 49.3 Ų | 49.3 | 67% | 0.673 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 177 | -176.2 | -177.9 | -175.4 | 0 | 0 | 111.7 | N1189 L1193 E1194 A1195 | N1189-E1191 VanDerWaalsContact C-N 3.3Å; N1189-E1191 PolarHBondContact O-N 3.1Å; N1189-E1191 PolarHBondContact OD1-N 2.92Å; E1191-L1193 VanDerWaalsContact C-N 3.34Å; E1191-E1194 PolarHBondContact O-N 3.12Å; E1191-A1195 WeakPolarHBondContact O-CB 3.46Å; E1191-A1195 PolarHBondContact O-N 3.44Å |
| 1192 | T | 88 | Confident | 90.8 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 176 | -55.8 | 0 | 0 | 0 | 0 | 110 | L1188 N1189 E1194 A1195 I1196 L1224 | L1188-T1192 HydrophobicContact CD2-CG2 4.45Å; N1189-T1192 PolarHBondContact O-N 3.43Å; N1189-T1192 WeakPolarHBondContact OD1-CB 3.22Å; N1189-T1192 PolarHBondContact OD1-N 2.81Å; N1189-T1192 PolarHBondContact OD1-OG1 3.03Å; T1192-E1194 PolarHBondContact O-N 3.15Å; T1192-A1195 PolarHBondContact O-N 2.91Å; T1192-I1196 HydrophobicContact CG2-CD1 4.2Å; T1192-I1196 VanDerWaalsContact O-CG1 3.25Å; T1192-I1196 WeakPolarHBondContact O-CG1 3.39Å; T1192-I1196 PolarHBondContact O-N 2.7Å; T1192-L1224 HydrophobicContact CG2-CD1 4.22Å; T1192-L1224 HydrophobicContact CG2-CD2 3.96Å; T1192-L1224 HydrophobicContact CG2-CG 4.37Å |
| 1193 | L | 89.1 | Confident | 90.5 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 179.5 | -167.8 | 64.5 | 0 | 0 | 0 | 112.5 | V1165 P1185 N1189 A1190 E1191 I1196 K1197 L1267 | V1165-L1193 HydrophobicContact CB-CD1 4.18Å; V1165-L1193 HydrophobicContact CG1-CD1 4.2Å; V1165-L1193 HydrophobicContact CG2-CD1 4.03Å; P1185-L1193 HydrophobicContact CG-CD1 4.32Å; N1189-L1193 PolarHBondContact O-N 3.47Å; A1190-L1193 PolarHBondContact O-N 3.49Å; E1191-L1193 VanDerWaalsContact C-N 3.34Å; L1193-I1196 WeakPolarHBondContact O-CB 3.08Å; L1193-I1196 PolarHBondContact O-N 3.49Å; L1193-K1197 PolarHBondContact O-N 2.92Å; L1193-L1267 HydrophobicContact CD1-CD1 4.12Å; L1193-L1267 HydrophobicContact CD1-CD2 4.02Å; L1193-L1267 HydrophobicContact CD1-CG 4.26Å; L1193-L1267 HydrophobicContact CD2-CD2 3.71Å; L1193-L1267 HydrophobicContact CD2-CG 4.14Å; L1193-L1267 HydrophobicContact CG-CD2 3.77Å; L1193-L1267 HydrophobicContact CG-CG 4.42Å |
| 1194 | E | 89.7 | Confident | 90.3 | Very high | 114 Ų | 114 | 52.1 Ų | 52.1 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 175.3 | -170.9 | 57.4 | -147.2 | 0 | 0 | 111.7 | A1190 E1191 T1192 I1196 K1197 R1198 | A1190-E1194 PolarHBondContact O-N 3.46Å; E1191-E1194 PolarHBondContact O-N 3.12Å; T1192-E1194 PolarHBondContact O-N 3.15Å; E1194-I1196 VanDerWaalsContact C-N 3.35Å; E1194-I1196 PolarHBondContact O-N 2.85Å; E1194-K1197 PolarHBondContact O-N 3.31Å; E1194-R1198 PolarHBondContact O-N 3.31Å |
| 1195 | A | 90.7 | Very high | 90 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1191 T1192 I1199 L1224 | E1191-A1195 WeakPolarHBondContact O-CB 3.46Å; E1191-A1195 PolarHBondContact O-N 3.44Å; T1192-A1195 PolarHBondContact O-N 2.91Å; A1195-I1199 WeakPolarHBondContact O-CD1 3.48Å; A1195-I1199 VanDerWaalsContact O-CG1 3.25Å; A1195-I1199 WeakPolarHBondContact O-CG1 3.49Å; A1195-I1199 PolarHBondContact O-N 2.77Å; A1195-L1224 HydrophobicContact CB-CD1 3.61Å |
| 1196 | I | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -53.3 | 171.7 | -66.9 | 166.1 | 0 | 0 | 0 | 109.6 | I1149 V1151 M1163 V1165 L1188 T1192 L1193 E1194 R1198 I1199 T1200 L1217 L1224 | I1149-I1196 HydrophobicContact CD1-CD1 3.85Å; I1149-I1196 HydrophobicContact CG2-CD1 3.93Å; V1151-I1196 HydrophobicContact CG2-CG2 3.57Å; M1163-I1196 HydrophobicContact CE-CG2 4.43Å; V1165-I1196 HydrophobicContact CG1-CD1 4.07Å; V1165-I1196 HydrophobicContact CG2-CG2 4Å; L1188-I1196 HydrophobicContact CD1-CD1 4.11Å; T1192-I1196 HydrophobicContact CG2-CD1 4.2Å; T1192-I1196 VanDerWaalsContact O-CG1 3.25Å; T1192-I1196 WeakPolarHBondContact O-CG1 3.39Å; T1192-I1196 PolarHBondContact O-N 2.7Å; L1193-I1196 WeakPolarHBondContact O-CB 3.08Å; L1193-I1196 PolarHBondContact O-N 3.49Å; E1194-I1196 VanDerWaalsContact C-N 3.35Å; E1194-I1196 PolarHBondContact O-N 2.85Å; I1196-R1198 VanDerWaalsContact C-N 3.3Å; I1196-R1198 PolarHBondContact O-N 3.23Å; I1196-I1199 PolarHBondContact O-N 3.28Å; I1196-I1199 VanDerWaalsContact O-N 3.07Å; I1196-T1200 PolarHBondContact O-N 2.9Å; I1196-T1200 PolarHBondContact O-OG1 2.71Å; I1196-L1217 HydrophobicContact CB-CD1 4.35Å; I1196-L1217 HydrophobicContact CG1-CD1 3.96Å; I1196-L1217 HydrophobicContact CG2-CD1 3.85Å; I1196-L1224 HydrophobicContact CG1-CD1 3.64Å; I1196-L1224 HydrophobicContact CG1-CD2 4.32Å |
| 1197 | K | 92 | Very high | 89.4 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 30% | 0.3 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.9 | -45.5 | 179.9 | -176 | 175.3 | -176.8 | 175.8 | 0 | 112.3 | M1163 L1193 E1194 T1200 C1201 | M1163-K1197 HydrophobicContact CE-CB 4.29Å; M1163-K1197 HydrophobicContact SD-CB 4.26Å; M1163-K1197 HydrophobicContact SD-CG 3.89Å; L1193-K1197 PolarHBondContact O-N 2.92Å; E1194-K1197 PolarHBondContact O-N 3.31Å; K1197-T1200 PolarHBondContact O-N 3.16Å; K1197-C1201 PolarHBondContact O-N 3.43Å; K1197-C1201 PolarHBondContact O-SG 3.39Å |
| 1198 | R | 92.5 | Very high | 89.3 | Confident | 157 Ų | 157 | 46.8 Ų | 46.8 | 59% | 0.592 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.2 | -49.3 | 175.4 | -176.4 | 179.5 | 63.2 | -163 | -4.6 | 112 | E1194 I1196 T1200 C1201 D1202 | E1194-R1198 PolarHBondContact O-N 3.31Å; I1196-R1198 VanDerWaalsContact C-N 3.3Å; I1196-R1198 PolarHBondContact O-N 3.23Å; R1198-T1200 VanDerWaalsContact C-N 3.32Å; R1198-T1200 PolarHBondContact O-N 2.88Å; R1198-C1201 PolarHBondContact O-N 2.87Å; R1198-D1202 PolarHBondContact O-N 3.06Å |
| 1199 | I | 94.3 | Very high | 89.6 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 179.2 | -65.6 | 165.1 | 0 | 0 | 0 | 110.6 | I1074 A1195 I1196 D1202 L1203 M1215 L1217 L1224 V1226 | I1074-I1199 HydrophobicContact CG2-CG2 3.89Å; A1195-I1199 WeakPolarHBondContact O-CD1 3.48Å; A1195-I1199 VanDerWaalsContact O-CG1 3.25Å; A1195-I1199 WeakPolarHBondContact O-CG1 3.49Å; A1195-I1199 PolarHBondContact O-N 2.77Å; I1196-I1199 PolarHBondContact O-N 3.28Å; I1196-I1199 VanDerWaalsContact O-N 3.07Å; I1199-D1202 PolarHBondContact O-N 3.27Å; I1199-L1203 VanDerWaalsContact O-CB 3.31Å; I1199-L1203 WeakPolarHBondContact O-CB 3.43Å; I1199-L1203 PolarHBondContact O-N 2.89Å; I1199-M1215 HydrophobicContact CG2-CE 3.81Å; I1199-L1217 HydrophobicContact CD1-CD2 4.33Å; I1199-L1217 HydrophobicContact CG2-CD2 4.24Å; I1199-L1224 HydrophobicContact CD1-CB 3.76Å; I1199-L1224 HydrophobicContact CD1-CD1 3.96Å; I1199-V1226 HydrophobicContact CG2-CG2 3.67Å |
| 1200 | T | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | V1151 A1153 I1160 I1196 K1197 R1198 L1203 A1204 F1213 M1215 | V1151-T1200 HydrophobicContact CG1-CG2 4.18Å; A1153-T1200 HydrophobicContact CB-CG2 4.11Å; I1160-T1200 HydrophobicContact CD1-CG2 3.92Å; I1160-T1200 HydrophobicContact CG1-CG2 4.48Å; I1196-T1200 PolarHBondContact O-N 2.9Å; I1196-T1200 PolarHBondContact O-OG1 2.71Å; K1197-T1200 PolarHBondContact O-N 3.16Å; R1198-T1200 VanDerWaalsContact C-N 3.32Å; R1198-T1200 PolarHBondContact O-N 2.88Å; T1200-L1203 PolarHBondContact O-N 2.96Å; T1200-A1204 WeakPolarHBondContact O-CB 3.26Å; T1200-A1204 PolarHBondContact O-N 2.83Å; T1200-F1213 HydrophobicContact CG2-CE2 4.01Å; T1200-F1213 HydrophobicContact CG2-CZ 3.67Å; T1200-M1215 HydrophobicContact CG2-SD 3.9Å; T1200-M1215 PolarHBondContact OG1-SD 3.11Å |
| 1201 | C | 92.2 | Very high | 90.6 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 35% | 0.351 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -44.8 | 174.5 | -73.6 | 0 | 0 | 0 | 0 | 112.1 | K1197 R1198 L1203 S1205 | K1197-C1201 PolarHBondContact O-N 3.43Å; K1197-C1201 PolarHBondContact O-SG 3.39Å; R1198-C1201 PolarHBondContact O-N 2.87Å; C1201-L1203 VanDerWaalsContact C-N 3.33Å; C1201-L1203 PolarHBondContact O-N 3.31Å; C1201-S1205 WeakPolarHBondContact O-CB 3.47Å; C1201-S1205 PolarHBondContact O-N 3.2Å |
| 1202 | D | 89.3 | Confident | 91.2 | Very high | 61 Ų | 61 | 31.6 Ų | 31.6 | 33% | 0.326 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 178.2 | -75.7 | -30.2 | 0 | 0 | 0 | 111.1 | I1074 R1198 I1199 S1205 V1206 | I1074-D1202 HydrophobicContact CD1-CB 3.99Å; R1198-D1202 PolarHBondContact O-N 3.06Å; I1199-D1202 PolarHBondContact O-N 3.27Å; D1202-S1205 PolarHBondContact O-N 3.48Å; D1202-V1206 WeakPolarHBondContact O-CG2 3.36Å; D1202-V1206 PolarHBondContact O-N 3.1Å |
| 1203 | L | 91.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.1 | -45.4 | -178.1 | -165 | 61.9 | 0 | 0 | 0 | 112.1 | F1065 M1068 L1069 I1199 T1200 C1201 S1205 V1206 L1207 M1215 C1229 | F1065-L1203 HydrophobicContact CE2-CD1 4.04Å; F1065-L1203 HydrophobicContact CZ-CD1 4.48Å; M1068-L1203 HydrophobicContact CE-CD1 3.55Å; L1069-L1203 HydrophobicContact CD2-CD1 3.65Å; I1199-L1203 VanDerWaalsContact O-CB 3.31Å; I1199-L1203 WeakPolarHBondContact O-CB 3.43Å; I1199-L1203 PolarHBondContact O-N 2.89Å; T1200-L1203 PolarHBondContact O-N 2.96Å; C1201-L1203 VanDerWaalsContact C-N 3.33Å; C1201-L1203 PolarHBondContact O-N 3.31Å; L1203-S1205 VanDerWaalsContact C-N 3.29Å; L1203-S1205 PolarHBondContact O-N 3.12Å; L1203-V1206 PolarHBondContact O-N 3.45Å; L1203-L1207 HydrophobicContact CD1-CD1 4.22Å; L1203-L1207 HydrophobicContact CG-CD1 4.1Å; L1203-L1207 WeakPolarHBondContact O-CB 3.3Å; L1203-L1207 PolarHBondContact O-N 3.33Å; L1203-M1215 HydrophobicContact CD2-CB 4.07Å; L1203-M1215 HydrophobicContact CD2-CE 4.17Å; L1203-M1215 HydrophobicContact CD2-SD 4.09Å; L1203-C1229 HydrophobicContact CD2-CB 3.75Å |
| 1204 | A | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.6 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1155 G1158 I1160 T1200 D1208 V1209 F1213 | A1155-A1204 HydrophobicContact CB-CB 4.08Å; G1158-A1204 WeakPolarHBondContact CA-O 3.14Å; G1158-A1204 WeakPolarHBondContact O-CB 3.2Å; I1160-A1204 HydrophobicContact CD1-CB 3.54Å; T1200-A1204 WeakPolarHBondContact O-CB 3.26Å; T1200-A1204 PolarHBondContact O-N 2.83Å; A1204-D1208 WeakPolarHBondContact O-CA 3.22Å; A1204-D1208 PolarHBondContact O-N 2.8Å; A1204-V1209 PolarHBondContact O-N 2.66Å; A1204-F1213 HydrophobicContact CB-CE1 4.05Å; A1204-F1213 HydrophobicContact CB-CZ 3.8Å |
| 1205 | S | 86.8 | Confident | 92.2 | Very high | 55 Ų | 55 | 24.2 Ų | 24.2 | 39% | 0.385 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 112.7 | G1158 C1201 D1202 L1203 D1208 | G1158-S1205 PolarHBondContact O-N 2.89Å; C1201-S1205 WeakPolarHBondContact O-CB 3.47Å; C1201-S1205 PolarHBondContact O-N 3.2Å; D1202-S1205 PolarHBondContact O-N 3.48Å; L1203-S1205 VanDerWaalsContact C-N 3.29Å; L1203-S1205 PolarHBondContact O-N 3.12Å; S1205-D1208 PolarHBondContact O-N 3.48Å |
| 1206 | V | 84.3 | Confident | 92.3 | Very high | 28 Ų | 28 | 23.8 Ų | 23.8 | 17% | 0.17 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -78 | -36.9 | -175.3 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | M1068 K1072 D1202 L1203 | M1068-V1206 HydrophobicContact CG-CB 4.4Å; M1068-V1206 HydrophobicContact CG-CG1 3.22Å; M1068-V1206 HydrophobicContact SD-CB 4.26Å; M1068-V1206 HydrophobicContact SD-CG1 3.48Å; M1068-V1206 WeakPolarHBondContact SD-CG1 3.27Å; K1072-V1206 HydrophobicContact CD-CG2 3.47Å; K1072-V1206 VanDerWaalsContact CD-CG2 3.47Å; K1072-V1206 VanDerWaalsContact CE-CG2 3.48Å; K1072-V1206 HydrophobicContact CG-CG1 4.41Å; K1072-V1206 HydrophobicContact CG-CG2 3.5Å; K1072-V1206 VanDerWaalsContact CG-CG2 3.5Å; D1202-V1206 WeakPolarHBondContact O-CG2 3.36Å; D1202-V1206 PolarHBondContact O-N 3.1Å; L1203-V1206 PolarHBondContact O-N 3.45Å |
| 1207 | L | 87.8 | Confident | 92.4 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -81.1 | -6.6 | 172.5 | -70.3 | 172 | 0 | 0 | 0 | 112.1 | S1055 C1058 A1059 M1068 L1203 V1209 C1229 V1231 | S1055-L1207 WeakPolarHBondContact CB-O 3.44Å; S1055-L1207 PolarHBondContact OG-O 2.83Å; C1058-L1207 HydrophobicContact CB-CD2 4.27Å; A1059-L1207 HydrophobicContact CB-CD1 4.1Å; A1059-L1207 HydrophobicContact CB-CD2 3.98Å; M1068-L1207 HydrophobicContact CE-CD1 4.32Å; M1068-L1207 HydrophobicContact CE-CD2 3.93Å; M1068-L1207 HydrophobicContact CE-CG 3.96Å; M1068-L1207 HydrophobicContact SD-CD2 3.48Å; M1068-L1207 WeakPolarHBondContact SD-CD2 3.44Å; M1068-L1207 HydrophobicContact SD-CG 3.84Å; L1203-L1207 HydrophobicContact CD1-CD1 4.22Å; L1203-L1207 HydrophobicContact CG-CD1 4.1Å; L1203-L1207 WeakPolarHBondContact O-CB 3.3Å; L1203-L1207 PolarHBondContact O-N 3.33Å; L1207-V1209 VanDerWaalsContact C-N 3.27Å; L1207-V1209 HydrophobicContact CB-CG2 3.59Å; L1207-V1209 PolarHBondContact O-N 3Å; L1207-C1229 HydrophobicContact CD1-CB 4.26Å; L1207-V1231 HydrophobicContact CD1-CG2 3.96Å |
| 1208 | D | 84.2 | Confident | 92.4 | Very high | 24 Ų | 24 | 21.2 Ų | 21.2 | 13% | 0.128 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 49.6 | -179.3 | -156.4 | 6.5 | 0 | 0 | 0 | 111.2 | A1204 S1205 K1947 R1949 | A1204-D1208 WeakPolarHBondContact O-CA 3.22Å; A1204-D1208 PolarHBondContact O-N 2.8Å; S1205-D1208 PolarHBondContact O-N 3.48Å; D1208-K1947 IonicContact OD1-NZ 3.34Å; D1208-K1947 VanDerWaalsContact OD2-CE 3.32Å; D1208-K1947 WeakPolarHBondContact OD2-CE 3.46Å; D1208-K1947 IonicContact OD2-NZ 3.29Å; D1208-K1947 PolarHBondContact OD2-NZ 2.96Å; D1208-R1949 IonicContact OD1-NH2 3.77Å; D1208-R1949 IonicContact OD2-NH2 2.62Å |
| 1209 | V | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -70.8 | 129.7 | -169.7 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | A1155 D1157 G1158 A1204 L1207 F1213 V1231 | A1155-V1209 CarbonylContact C-O 3.56Å; A1155-V1209 HydrophobicContact CB-CB 4Å; A1155-V1209 HydrophobicContact CB-CG1 4.07Å; A1155-V1209 WeakPolarHBondContact CB-O 3.48Å; D1157-V1209 PolarHBondContact N-O 2.97Å; G1158-V1209 PolarHBondContact N-O 3.07Å; A1204-V1209 PolarHBondContact O-N 2.66Å; L1207-V1209 VanDerWaalsContact C-N 3.27Å; L1207-V1209 HydrophobicContact CB-CG2 3.59Å; L1207-V1209 PolarHBondContact O-N 3Å; V1209-F1213 HydrophobicContact CB-CD1 4.38Å; V1209-F1213 HydrophobicContact CG1-CB 4.14Å; V1209-F1213 HydrophobicContact CG1-CD1 3.67Å; V1209-F1213 HydrophobicContact CG1-CE1 4.4Å; V1209-F1213 HydrophobicContact CG1-CG 4.14Å; V1209-V1231 HydrophobicContact CB-CG1 4.49Å; V1209-V1231 HydrophobicContact CG1-CG1 3.93Å; V1209-V1231 HydrophobicContact CG2-CG1 3.96Å | ||
| 1210 | T | 94.6 | Very high | 92.1 | Very high | 17 Ų | 17 | 17 Ų | 17 | 10% | 0.104 | 10% | 0.099 | C | C | . | . | trans | -126.1 | 115.1 | 166.7 | -64 | 0 | 0 | 0 | 0 | 108.5 | G1050 T1051 A1155 D1157 A1255 | G1050-T1210 CarbonylContact C-O 3.52Å; G1050-T1210 VanDerWaalsContact C-O 3.24Å; G1050-T1210 VanDerWaalsContact CA-O 3.29Å; G1050-T1210 WeakPolarHBondContact CA-O 3.42Å; T1051-T1210 PolarHBondContact N-O 3.24Å; T1051-T1210 PolarHBondContact OG1-N 3.32Å; T1051-T1210 PolarHBondContact OG1-O 3.03Å; A1155-T1210 CarbonylContact O-C 3.52Å; A1155-T1210 WeakPolarHBondContact O-CA 3.44Å; D1157-T1210 PolarHBondContact N-OG1 3.13Å; T1210-A1255 HydrophobicContact CG2-CB 4.47Å; T1210-A1255 WeakPolarHBondContact CG2-O 3.47Å | ||
| 1211 | G | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.7 | -155.8 | -171 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1154 A1155 | V1154-G1211 WeakPolarHBondContact CA-O 3.43Å; A1155-G1211 PolarHBondContact N-O 2.99Å; A1155-G1211 PolarHBondContact O-N 2.88Å |
| 1212 | P | 97.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 147.4 | -172 | 33.6 | -30 | 0 | 0 | 0 | 111.5 | M1029 V1231 R1232 V1233 F1237 A1252 | M1029-P1212 HydrophobicContact CE-CG 4.3Å; P1212-V1231 CarbonylContact O-C 3.6Å; P1212-R1232 PolarHBondContact O-N 2.77Å; P1212-V1233 HydrophobicContact CB-CG1 3.68Å; P1212-V1233 HydrophobicContact CG-CG1 3.55Å; P1212-F1237 HydrophobicContact CB-CE1 3.58Å; P1212-F1237 HydrophobicContact CB-CE2 4.47Å; P1212-F1237 HydrophobicContact CB-CZ 3.5Å; P1212-A1252 HydrophobicContact CB-CB 4.13Å; P1212-A1252 HydrophobicContact CG-CB 4.24Å |
| 1213 | F | 97.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 156.9 | 165.8 | 71.8 | -74.4 | 0 | 0 | 0 | 110.8 | A1153 A1155 I1160 T1200 A1204 V1209 M1215 N1230 V1231 R1232 | A1153-F1213 HydrophobicContact CB-CD1 4.06Å; A1153-F1213 HydrophobicContact CB-CE1 3.38Å; A1153-F1213 HydrophobicContact CB-CE2 4.16Å; A1153-F1213 HydrophobicContact CB-CZ 3.44Å; A1153-F1213 VanDerWaalsContact CB-CZ 3.44Å; A1153-F1213 PolarHBondContact N-O 2.9Å; A1153-F1213 WeakPolarHBondContact O-CD1 3.21Å; A1153-F1213 PolarHBondContact O-N 3.19Å; A1153-F1213 VanDerWaalsContact O-O 3.06Å; A1155-F1213 HydrophobicContact CB-CD1 4.47Å; A1155-F1213 HydrophobicContact CB-CE1 3.98Å; I1160-F1213 HydrophobicContact CD1-CE1 3.78Å; I1160-F1213 HydrophobicContact CD1-CZ 3.61Å; T1200-F1213 HydrophobicContact CG2-CE2 4.01Å; T1200-F1213 HydrophobicContact CG2-CZ 3.67Å; A1204-F1213 HydrophobicContact CB-CE1 4.05Å; A1204-F1213 HydrophobicContact CB-CZ 3.8Å; V1209-F1213 HydrophobicContact CB-CD1 4.38Å; V1209-F1213 HydrophobicContact CG1-CB 4.14Å; V1209-F1213 HydrophobicContact CG1-CD1 3.67Å; V1209-F1213 HydrophobicContact CG1-CE1 4.4Å; V1209-F1213 HydrophobicContact CG1-CG 4.14Å; F1213-M1215 HydrophobicContact CE2-SD 4.4Å; F1213-N1230 CarbonylContact C-O 3.58Å; F1213-N1230 VanDerWaalsContact CA-O 3.24Å; F1213-N1230 WeakPolarHBondContact CA-O 3.48Å; F1213-N1230 WeakPolarHBondContact CB-O 3.28Å; F1213-V1231 HydrophobicContact CB-CG1 4.34Å; F1213-R1232 WeakPolarHBondContact CA-O 3.5Å |
| 1214 | N | 95.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.1 | 174.4 | 164.3 | -92 | 0 | 0 | 0 | 109.3 | V1151 D1152 C1229 N1230 | V1151-N1214 CarbonylContact O-C 3.58Å; V1151-N1214 WeakPolarHBondContact O-CA 3.49Å; D1152-N1214 PolarHBondContact OD1-ND2 3.48Å; N1214-C1229 CarbonylContact O-C 3.46Å; N1214-C1229 VanDerWaalsContact O-CA 3.29Å; N1214-C1229 WeakPolarHBondContact O-CA 3.3Å; N1214-N1230 PolarHBondContact N-O 3.46Å; N1214-N1230 PolarHBondContact O-N 2.9Å |
| 1215 | M | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 145.5 | 176.6 | 62.7 | 174.5 | -70.1 | 0 | 0 | 110.8 | V1151 I1199 T1200 L1203 F1213 L1217 V1226 E1228 C1229 | V1151-M1215 HydrophobicContact CB-CG 3.57Å; V1151-M1215 HydrophobicContact CB-SD 4.24Å; V1151-M1215 HydrophobicContact CG1-CG 4.28Å; V1151-M1215 HydrophobicContact CG1-SD 4.48Å; V1151-M1215 HydrophobicContact CG2-CG 4.13Å; V1151-M1215 PolarHBondContact N-O 3.15Å; V1151-M1215 PolarHBondContact O-N 3.28Å; I1199-M1215 HydrophobicContact CG2-CE 3.81Å; T1200-M1215 HydrophobicContact CG2-SD 3.9Å; T1200-M1215 PolarHBondContact OG1-SD 3.11Å; L1203-M1215 HydrophobicContact CD2-CB 4.07Å; L1203-M1215 HydrophobicContact CD2-CE 4.17Å; L1203-M1215 HydrophobicContact CD2-SD 4.09Å; F1213-M1215 HydrophobicContact CE2-SD 4.4Å; M1215-L1217 HydrophobicContact CE-CD1 3.59Å; M1215-L1217 HydrophobicContact CE-CD2 3.73Å; M1215-L1217 HydrophobicContact CE-CG 3.62Å; M1215-V1226 HydrophobicContact CE-CG2 4.25Å; M1215-E1228 WeakPolarHBondContact CA-O 3.35Å; M1215-C1229 HydrophobicContact CB-CB 4.44Å |
| 1216 | Q | 93.6 | Very high | 91.1 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 7% | 0.065 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.1 | 179.7 | -74.1 | 166.8 | 10.5 | 0 | 0 | 110.3 | I1149 D1150 S1176 I1227 E1228 | I1149-Q1216 WeakPolarHBondContact O-CA 3.4Å; D1150-Q1216 WeakPolarHBondContact OD1-CG 3.3Å; S1176-Q1216 PolarHBondContact OG-NE2 3.28Å; Q1216-I1227 HydrophobicContact CB-CB 4.08Å; Q1216-I1227 HydrophobicContact CB-CD1 4.09Å; Q1216-I1227 HydrophobicContact CB-CG1 4.34Å; Q1216-I1227 PolarHBondContact O-N 3.06Å; Q1216-E1228 HydrophobicContact CB-CG 4.04Å; Q1216-E1228 HydrophobicContact CG-CG 4.28Å; Q1216-E1228 PolarHBondContact N-O 2.69Å; Q1216-E1228 PolarHBondContact NE2-OE1 3.46Å; Q1216-E1228 VanDerWaalsContact OE1-CD 3.26Å; Q1216-E1228 VanDerWaalsContact OE1-CG 3.24Å; Q1216-E1228 PolarHBondContact OE1-OE1 2.88Å |
| 1217 | L | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.3 | -177.4 | -69.7 | 157.1 | 0 | 0 | 0 | 110.4 | E1148 I1149 V1151 I1196 I1199 M1215 K1225 V1226 | E1148-L1217 CarbonylContact C-O 3.51Å; E1148-L1217 WeakPolarHBondContact CA-O 3.5Å; I1149-L1217 HydrophobicContact CB-CB 4.23Å; I1149-L1217 PolarHBondContact N-O 2.78Å; I1149-L1217 PolarHBondContact O-N 3.02Å; V1151-L1217 HydrophobicContact CG2-CD1 3.89Å; I1196-L1217 HydrophobicContact CB-CD1 4.35Å; I1196-L1217 HydrophobicContact CG1-CD1 3.96Å; I1196-L1217 HydrophobicContact CG2-CD1 3.85Å; I1199-L1217 HydrophobicContact CD1-CD2 4.33Å; I1199-L1217 HydrophobicContact CG2-CD2 4.24Å; M1215-L1217 HydrophobicContact CE-CD1 3.59Å; M1215-L1217 HydrophobicContact CE-CD2 3.73Å; M1215-L1217 HydrophobicContact CE-CG 3.62Å; L1217-K1225 CarbonylContact C-O 3.18Å; L1217-K1225 WeakPolarHBondContact CA-O 3.32Å; L1217-V1226 HydrophobicContact CD2-CB 4.35Å; L1217-V1226 HydrophobicContact CD2-CG2 3.54Å |
| 1218 | I | 93.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 30.2 Ų | 30.2 | 8% | 0.077 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.9 | 168.1 | -63.5 | 179.1 | 0 | 0 | 0 | 108.6 | P1077 L1143 A1146 K1147 A1172 L1224 K1225 I1227 | P1077-I1218 HydrophobicContact CG-CD1 4.49Å; L1143-I1218 HydrophobicContact CB-CD1 4.41Å; L1143-I1218 HydrophobicContact CB-CG2 4.36Å; L1143-I1218 HydrophobicContact CD1-CB 4.43Å; L1143-I1218 HydrophobicContact CD1-CD1 4.19Å; L1143-I1218 HydrophobicContact CD1-CG2 3.92Å; A1146-I1218 HydrophobicContact CB-CG2 3.13Å; K1147-I1218 CarbonylContact O-C 3.57Å; K1147-I1218 WeakPolarHBondContact O-CA 3.43Å; A1172-I1218 HydrophobicContact CB-CD1 4.29Å; A1172-I1218 HydrophobicContact CB-CG1 4.3Å; I1218-L1224 CarbonylContact O-C 3.56Å; I1218-L1224 WeakPolarHBondContact O-CA 3.21Å; I1218-K1225 PolarHBondContact N-O 2.86Å; I1218-K1225 PolarHBondContact O-N 2.8Å; I1218-I1227 HydrophobicContact CD1-CD1 3.66Å; I1218-I1227 HydrophobicContact CD1-CG1 3.72Å; I1218-I1227 HydrophobicContact CG1-CD1 3.35Å; I1218-I1227 HydrophobicContact CG1-CG1 3.49Å; I1218-I1227 VanDerWaalsContact CG1-CG1 3.49Å |
| 1219 | A | 91.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 15% | 0.149 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K1147 I1149 E1223 L1224 | K1147-A1219 HydrophobicContact CB-CB 4.48Å; K1147-A1219 PolarHBondContact N-O 3.28Å; K1147-A1219 PolarHBondContact O-N 3.22Å; I1149-A1219 HydrophobicContact CD1-CB 3.76Å; A1219-E1223 WeakPolarHBondContact CA-O 3.44Å; A1219-L1224 HydrophobicContact CB-CD2 3.71Å |
| 1220 | K | 88.2 | Confident | 91.8 | Very high | 66 Ų | 66 | 29.7 Ų | 29.7 | 29% | 0.287 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 130.6 | 171.9 | -170 | 172.2 | -175.7 | 171.8 | 0 | 110.4 | T1144 A1146 N1222 E1223 | T1144-K1220 PolarHBondContact O-NZ 3.39Å; A1146-K1220 HydrophobicContact CB-CB 3.91Å; A1146-K1220 HydrophobicContact CB-CD 4.14Å; A1146-K1220 HydrophobicContact CB-CG 4.39Å; K1220-N1222 VanDerWaalsContact C-N 3.28Å; K1220-N1222 PolarHBondContact O-N 2.79Å; K1220-E1223 PolarHBondContact N-O 2.83Å; K1220-E1223 WeakPolarHBondContact O-CB 3.13Å; K1220-E1223 PolarHBondContact O-N 2.68Å |
| 1221 | N | 82.5 | Confident | 91.7 | Very high | 146 Ų | 146 | 29 Ų | 29 | 78% | 0.781 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 42.8 | 179.6 | -55.3 | -23.4 | 0 | 0 | 0 | 113.3 | E1223 | N1221-E1223 PolarHBondContact O-N 3.15Å; N1221-E1223 VanDerWaalsContact O-N 3.12Å |
| 1222 | N | 76.2 | Confident | 91.7 | Very high | 122 Ų | 122 | 29.8 Ų | 29.8 | 65% | 0.652 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 7.2 | -173.7 | -60.7 | -10.7 | 0 | 0 | 0 | 115.9 | K1220 | K1220-N1222 VanDerWaalsContact C-N 3.28Å; K1220-N1222 PolarHBondContact O-N 2.79Å |
| 1223 | E | 86.3 | Confident | 91.6 | Very high | 95 Ų | 95 | 29.8 Ų | 29.8 | 44% | 0.444 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.8 | 168 | -64.7 | -173.9 | 166.6 | 0 | 0 | 110.7 | A1219 K1220 N1221 K1225 | A1219-E1223 WeakPolarHBondContact CA-O 3.44Å; K1220-E1223 PolarHBondContact N-O 2.83Å; K1220-E1223 WeakPolarHBondContact O-CB 3.13Å; K1220-E1223 PolarHBondContact O-N 2.68Å; N1221-E1223 PolarHBondContact O-N 3.15Å; N1221-E1223 VanDerWaalsContact O-N 3.12Å; E1223-K1225 VanDerWaalsContact OE2-CE 3.26Å; E1223-K1225 WeakPolarHBondContact OE2-CE 3.49Å; E1223-K1225 IonicContact OE2-NZ 3.41Å; E1223-K1225 PolarHBondContact OE2-NZ 3.29Å |
| 1224 | L | 92.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.3 | 171.3 | -69.1 | 172.7 | 0 | 0 | 0 | 110.1 | I1149 T1192 A1195 I1196 I1199 I1218 A1219 | I1149-L1224 HydrophobicContact CD1-CD2 4.13Å; T1192-L1224 HydrophobicContact CG2-CD1 4.22Å; T1192-L1224 HydrophobicContact CG2-CD2 3.96Å; T1192-L1224 HydrophobicContact CG2-CG 4.37Å; A1195-L1224 HydrophobicContact CB-CD1 3.61Å; I1196-L1224 HydrophobicContact CG1-CD1 3.64Å; I1196-L1224 HydrophobicContact CG1-CD2 4.32Å; I1199-L1224 HydrophobicContact CD1-CB 3.76Å; I1199-L1224 HydrophobicContact CD1-CD1 3.96Å; I1218-L1224 CarbonylContact O-C 3.56Å; I1218-L1224 WeakPolarHBondContact O-CA 3.21Å; A1219-L1224 HydrophobicContact CB-CD2 3.71Å |
| 1225 | K | 94.2 | Very high | 91.2 | Very high | 46 Ų | 46 | 31.2 Ų | 31.2 | 20% | 0.2 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.1 | 179 | -71.1 | 174.7 | -177.9 | 156 | 0 | 110.5 | L1075 L1143 L1217 I1218 E1223 | L1075-K1225 HydrophobicContact CB-CG 3.9Å; L1075-K1225 CarbonylContact O-C 3.51Å; L1075-K1225 VanDerWaalsContact O-CA 3.3Å; L1075-K1225 WeakPolarHBondContact O-CA 3.49Å; L1143-K1225 HydrophobicContact CD1-CD 3.85Å; L1217-K1225 CarbonylContact C-O 3.18Å; L1217-K1225 WeakPolarHBondContact CA-O 3.32Å; I1218-K1225 PolarHBondContact N-O 2.86Å; I1218-K1225 PolarHBondContact O-N 2.8Å; E1223-K1225 VanDerWaalsContact OE2-CE 3.26Å; E1223-K1225 WeakPolarHBondContact OE2-CE 3.49Å; E1223-K1225 IonicContact OE2-NZ 3.41Å; E1223-K1225 PolarHBondContact OE2-NZ 3.29Å |
| 1226 | V | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.6 | 177.4 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | F1065 L1069 I1074 L1075 Q1076 P1077 I1199 M1215 L1217 | F1065-V1226 HydrophobicContact CE1-CG1 3.92Å; F1065-V1226 HydrophobicContact CZ-CG1 3.64Å; L1069-V1226 HydrophobicContact CD1-CB 3.88Å; L1069-V1226 HydrophobicContact CD1-CG1 3.92Å; L1069-V1226 HydrophobicContact CD2-CB 4.49Å; L1069-V1226 HydrophobicContact CD2-CG1 4.41Å; I1074-V1226 HydrophobicContact CG2-CB 4.32Å; I1074-V1226 HydrophobicContact CG2-CG2 3.49Å; I1074-V1226 VanDerWaalsContact CG2-CG2 3.49Å; L1075-V1226 PolarHBondContact O-N 3.34Å; Q1076-V1226 WeakPolarHBondContact CB-O 3.34Å; P1077-V1226 VanDerWaalsContact CD-O 3.25Å; P1077-V1226 WeakPolarHBondContact CD-O 3.49Å; I1199-V1226 HydrophobicContact CG2-CG2 3.67Å; M1215-V1226 HydrophobicContact CE-CG2 4.25Å; L1217-V1226 HydrophobicContact CD2-CB 4.35Å; L1217-V1226 HydrophobicContact CD2-CG2 3.54Å |
| 1227 | I | 88.9 | Confident | 91.3 | Very high | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.108 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -58.8 | 173.7 | -48.9 | 179.3 | 0 | 0 | 0 | 109.3 | R1062 E1148 Q1216 I1218 | R1062-I1227 PolarHBondContact NH1-O 3.29Å; E1148-I1227 HydrophobicContact CG-CD1 4.08Å; Q1216-I1227 HydrophobicContact CB-CB 4.08Å; Q1216-I1227 HydrophobicContact CB-CD1 4.09Å; Q1216-I1227 HydrophobicContact CB-CG1 4.34Å; Q1216-I1227 PolarHBondContact O-N 3.06Å; I1218-I1227 HydrophobicContact CD1-CD1 3.66Å; I1218-I1227 HydrophobicContact CD1-CG1 3.72Å; I1218-I1227 HydrophobicContact CG1-CD1 3.35Å; I1218-I1227 HydrophobicContact CG1-CG1 3.49Å; I1218-I1227 VanDerWaalsContact CG1-CG1 3.49Å |
| 1228 | E | 89.8 | Confident | 91.3 | Very high | 31 Ų | 31 | 31 Ų | 31 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 165.7 | -173.2 | 59.9 | 174.8 | -139.4 | 0 | 0 | 111.3 | M1215 Q1216 N1230 | M1215-E1228 WeakPolarHBondContact CA-O 3.35Å; Q1216-E1228 HydrophobicContact CB-CG 4.04Å; Q1216-E1228 HydrophobicContact CG-CG 4.28Å; Q1216-E1228 PolarHBondContact N-O 2.69Å; Q1216-E1228 PolarHBondContact NE2-OE1 3.46Å; Q1216-E1228 VanDerWaalsContact OE1-CD 3.26Å; Q1216-E1228 VanDerWaalsContact OE1-CG 3.24Å; Q1216-E1228 PolarHBondContact OE1-OE1 2.88Å; E1228-N1230 PolarHBondContact OE1-ND2 3.3Å |
| 1229 | C | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 119.1 | 174.8 | -172.9 | 0 | 0 | 0 | 0 | 109 | A1059 F1065 L1203 L1207 N1214 M1215 | A1059-C1229 WeakPolarHBondContact CB-O 3.24Å; F1065-C1229 HydrophobicContact CE2-CB 3.5Å; F1065-C1229 VanDerWaalsContact CE2-CB 3.5Å; F1065-C1229 HydrophobicContact CZ-CB 3.64Å; L1203-C1229 HydrophobicContact CD2-CB 3.75Å; L1207-C1229 HydrophobicContact CD1-CB 4.26Å; N1214-C1229 CarbonylContact O-C 3.46Å; N1214-C1229 VanDerWaalsContact O-CA 3.29Å; N1214-C1229 WeakPolarHBondContact O-CA 3.3Å; M1215-C1229 HydrophobicContact CB-CB 4.44Å |
| 1230 | N | 93.3 | Very high | 91.7 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113.4 | 177.4 | -63.1 | -56.6 | 0 | 0 | 0 | 108 | F1213 N1214 E1228 R1232 | F1213-N1230 CarbonylContact C-O 3.58Å; F1213-N1230 VanDerWaalsContact CA-O 3.24Å; F1213-N1230 WeakPolarHBondContact CA-O 3.48Å; F1213-N1230 WeakPolarHBondContact CB-O 3.28Å; N1214-N1230 PolarHBondContact N-O 3.46Å; N1214-N1230 PolarHBondContact O-N 2.9Å; E1228-N1230 PolarHBondContact OE1-ND2 3.3Å; N1230-R1232 HydrophobicContact CB-CG 4.15Å; N1230-R1232 PolarHBondContact O-N 2.77Å |
| 1231 | V | 94.5 | Very high | 92 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -85.3 | 55.5 | -176.8 | -159.6 | 0 | 0 | 0 | 0 | 111.2 | T1051 A1059 L1207 V1209 P1212 F1213 | T1051-V1231 HydrophobicContact CG2-CB 4.44Å; T1051-V1231 HydrophobicContact CG2-CG1 3.41Å; T1051-V1231 VanDerWaalsContact CG2-CG1 3.41Å; T1051-V1231 WeakPolarHBondContact OG1-CG1 3.35Å; A1059-V1231 HydrophobicContact CB-CG2 3.42Å; A1059-V1231 VanDerWaalsContact CB-CG2 3.42Å; L1207-V1231 HydrophobicContact CD1-CG2 3.96Å; V1209-V1231 HydrophobicContact CB-CG1 4.49Å; V1209-V1231 HydrophobicContact CG1-CG1 3.93Å; V1209-V1231 HydrophobicContact CG2-CG1 3.96Å; P1212-V1231 CarbonylContact O-C 3.6Å; F1213-V1231 HydrophobicContact CB-CG1 4.34Å |
| 1232 | R | 95.1 | Very high | 92.6 | Very high | 16 Ų | 16 | 19.8 Ų | 19.8 | 6% | 0.06 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -157 | 173.3 | -178.8 | 54.8 | 173.5 | 176 | 106.7 | -5.7 | 108.8 | S1028 G1031 P1212 F1213 N1230 | S1028-R1232 WeakPolarHBondContact O-CB 3.5Å; G1031-R1232 VanDerWaalsContact C-CD 3.45Å; G1031-R1232 WeakPolarHBondContact O-CD 3.34Å; P1212-R1232 PolarHBondContact O-N 2.77Å; F1213-R1232 WeakPolarHBondContact CA-O 3.5Å; N1230-R1232 HydrophobicContact CB-CG 4.15Å; N1230-R1232 PolarHBondContact O-N 2.77Å |
| 1233 | V | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | trans | -59.3 | 155.4 | 168.4 | -60.1 | 0 | 0 | 0 | 0 | 111 | F965 C968 S1028 M1029 P1212 F1237 | F965-V1233 HydrophobicContact CD1-CG2 3.72Å; F965-V1233 HydrophobicContact CE1-CG2 4.01Å; C968-V1233 HydrophobicContact CB-CB 4.19Å; C968-V1233 HydrophobicContact CB-CG1 4Å; C968-V1233 HydrophobicContact CB-CG2 3.76Å; S1028-V1233 WeakPolarHBondContact O-CG2 3.41Å; S1028-V1233 PolarHBondContact O-N 3.27Å; M1029-V1233 WeakPolarHBondContact O-CG2 3.45Å; M1029-V1233 HydrophobicContact SD-CG1 3.66Å; P1212-V1233 HydrophobicContact CB-CG1 3.68Å; P1212-V1233 HydrophobicContact CG-CG1 3.55Å; V1233-F1237 HydrophobicContact CB-CD1 4.34Å; V1233-F1237 HydrophobicContact CB-CD2 4.34Å; V1233-F1237 HydrophobicContact CB-CG 4.16Å; V1233-F1237 HydrophobicContact CG1-CD1 4.04Å; V1233-F1237 HydrophobicContact CG1-CE1 4.21Å; V1233-F1237 HydrophobicContact CG1-CG 4.35Å | ||
| 1234 | S | 93.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 9.7 Ų | 9.7 | 9% | 0.091 | 5% | 0.048 | C | C | . | . | trans | -113 | 177 | 171.3 | 77.6 | 0 | 0 | 0 | 0 | 110.7 | D1152 S1236 F1237 | D1152-S1234 WeakPolarHBondContact OD1-CB 3.24Å; D1152-S1234 PolarHBondContact OD1-OG 3.29Å; S1234-S1236 PolarHBondContact O-N 2.86Å; S1234-S1236 PolarHBondContact OG-N 2.81Å; S1234-S1236 PolarHBondContact OG-OG 2.83Å; S1234-F1237 WeakPolarHBondContact O-CB 3.37Å; S1234-F1237 PolarHBondContact O-N 2.97Å; S1234-F1237 WeakPolarHBondContact OG-CD2 3.39Å; S1234-F1237 PolarHBondContact OG-N 3.19Å | ||
| 1235 | R | 90.7 | Very high | 93.7 | Very high | 21 Ų | 21 | 12.5 Ų | 12.5 | 8% | 0.079 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -23.5 | 175.9 | -41 | -173.8 | -42.1 | 140.3 | 37.3 | 113.1 | E964 F965 G1177 P1238 M1296 E1301 | E964-R1235 HydrophobicContact CB-CB 4.22Å; E964-R1235 HydrophobicContact CG-CB 3.7Å; E964-R1235 HydrophobicContact CG-CG 3.87Å; F965-R1235 HydrophobicContact CE2-CG 3.95Å; F965-R1235 HydrophobicContact CZ-CG 3.84Å; G1177-R1235 VanDerWaalsContact C-NH2 3.34Å; G1177-R1235 VanDerWaalsContact CA-NH1 3.32Å; G1177-R1235 VanDerWaalsContact CA-NH2 3.26Å; G1177-R1235 PolarHBondContact O-NH1 3.02Å; G1177-R1235 PolarHBondContact O-NH2 2.81Å; R1235-P1238 WeakPolarHBondContact O-CD 3.05Å; R1235-M1296 PolarHBondContact NH1-SD 3.02Å; R1235-E1301 IonicContact CZ-OE2 3.4Å; R1235-E1301 IonicContact NH2-OE2 3.24Å; R1235-E1301 PolarHBondContact NH2-OE2 2.88Å |
| 1236 | S | 94 | Very high | 93.7 | Very high | 9 Ų | 9 | 12.2 Ų | 12.2 | 6% | 0.063 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -82.8 | -10.7 | 177.6 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | D1152 S1234 F1239 V1240 | D1152-S1236 VanDerWaalsContact CG-OG 3.27Å; D1152-S1236 PolarHBondContact OD1-OG 3.06Å; D1152-S1236 WeakPolarHBondContact OD2-CB 3.39Å; D1152-S1236 PolarHBondContact OD2-OG 3.16Å; S1234-S1236 PolarHBondContact O-N 2.86Å; S1234-S1236 PolarHBondContact OG-N 2.81Å; S1234-S1236 PolarHBondContact OG-OG 2.83Å; S1236-F1239 CarbonylContact O-C 3.34Å; S1236-F1239 WeakPolarHBondContact O-CA 3.1Å; S1236-F1239 WeakPolarHBondContact O-CB 3.14Å; S1236-F1239 PolarHBondContact O-N 3.07Å; S1236-V1240 WeakPolarHBondContact O-CG1 3.46Å; S1236-V1240 WeakPolarHBondContact O-CG2 3.42Å; S1236-V1240 PolarHBondContact O-N 3.49Å |
| 1237 | F | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -52.1 | -49.1 | 175.8 | -97.5 | -114.8 | 0 | 0 | 0 | 113.8 | D1152 V1154 P1212 V1233 S1234 V1240 S1241 F1248 V1249 | D1152-F1237 HydrophobicContact CB-CD2 3.88Å; D1152-F1237 HydrophobicContact CB-CE2 3.62Å; D1152-F1237 HydrophobicContact CB-CZ 4.34Å; D1152-F1237 WeakPolarHBondContact OD1-CD2 3.32Å; D1152-F1237 WeakPolarHBondContact OD1-CE2 3.34Å; V1154-F1237 HydrophobicContact CG2-CE1 4.21Å; P1212-F1237 HydrophobicContact CB-CE1 3.58Å; P1212-F1237 HydrophobicContact CB-CE2 4.47Å; P1212-F1237 HydrophobicContact CB-CZ 3.5Å; V1233-F1237 HydrophobicContact CB-CD1 4.34Å; V1233-F1237 HydrophobicContact CB-CD2 4.34Å; V1233-F1237 HydrophobicContact CB-CG 4.16Å; V1233-F1237 HydrophobicContact CG1-CD1 4.04Å; V1233-F1237 HydrophobicContact CG1-CE1 4.21Å; V1233-F1237 HydrophobicContact CG1-CG 4.35Å; S1234-F1237 WeakPolarHBondContact O-CB 3.37Å; S1234-F1237 PolarHBondContact O-N 2.97Å; S1234-F1237 WeakPolarHBondContact OG-CD2 3.39Å; S1234-F1237 PolarHBondContact OG-N 3.19Å; F1237-V1240 WeakPolarHBondContact O-CG2 3.48Å; F1237-S1241 WeakPolarHBondContact O-CB 3.25Å; F1237-S1241 PolarHBondContact O-N 3.01Å; F1237-S1241 PolarHBondContact O-OG 3.46Å; F1237-F1248 HydrophobicContact CD1-CB 3.72Å; F1237-F1248 HydrophobicContact CE1-CB 3.73Å; F1237-F1248 HydrophobicContact CE1-CD1 4.23Å; F1237-F1248 HydrophobicContact CE1-CG 4.47Å; F1237-V1249 HydrophobicContact CD1-CG2 4.25Å |
| 1238 | P | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 172.3 | -20.3 | 25.9 | 0 | 0 | 0 | 112.9 | E964 W967 R1235 S1241 K1242 | E964-P1238 HydrophobicContact CB-CG 3.98Å; W967-P1238 HydrophobicContact CB-CG 4.29Å; W967-P1238 HydrophobicContact CD2-CB 3.94Å; W967-P1238 HydrophobicContact CD2-CG 3.96Å; W967-P1238 HydrophobicContact CE3-CB 3.83Å; W967-P1238 HydrophobicContact CE3-CG 3.57Å; W967-P1238 HydrophobicContact CG-CB 4.32Å; W967-P1238 HydrophobicContact CG-CG 4.24Å; W967-P1238 HydrophobicContact CZ3-CB 4.28Å; W967-P1238 HydrophobicContact CZ3-CG 4.25Å; R1235-P1238 WeakPolarHBondContact O-CD 3.05Å; P1238-S1241 PolarHBondContact O-N 3.07Å; P1238-K1242 WeakPolarHBondContact O-CB 3.32Å; P1238-K1242 WeakPolarHBondContact O-CG 3.42Å; P1238-K1242 PolarHBondContact O-N 3.48Å; P1238-K1242 VanDerWaalsContact O-N 3.09Å |
| 1239 | F | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62 | -51.1 | -178.9 | 166.4 | -120.1 | 0 | 0 | 0 | 112.1 | I447 L1181 T1183 S1236 K1242 T1243 K1276 A1303 | I447-F1239 HydrophobicContact CD1-CD2 4.1Å; I447-F1239 HydrophobicContact CG2-CB 4.06Å; I447-F1239 HydrophobicContact CG2-CD2 4.24Å; L1181-F1239 HydrophobicContact CB-CE1 3.97Å; T1183-F1239 WeakPolarHBondContact OG1-CE1 3.22Å; S1236-F1239 CarbonylContact O-C 3.34Å; S1236-F1239 WeakPolarHBondContact O-CA 3.1Å; S1236-F1239 WeakPolarHBondContact O-CB 3.14Å; S1236-F1239 PolarHBondContact O-N 3.07Å; F1239-K1242 PolarHBondContact O-N 2.84Å; F1239-T1243 WeakPolarHBondContact CD2-OG1 3.19Å; F1239-T1243 VanDerWaalsContact CE2-OG1 3.31Å; F1239-T1243 WeakPolarHBondContact CE2-OG1 3.37Å; F1239-T1243 VanDerWaalsContact O-CB 3.23Å; F1239-T1243 WeakPolarHBondContact O-CB 3.29Å; F1239-T1243 PolarHBondContact O-N 3.27Å; F1239-T1243 PolarHBondContact O-OG1 3.16Å; F1239-K1276 HydrophobicContact CD1-CB 4Å; F1239-K1276 HydrophobicContact CD2-CB 3.86Å; F1239-K1276 HydrophobicContact CE1-CB 3.94Å; F1239-K1276 HydrophobicContact CE2-CB 3.84Å; F1239-K1276 HydrophobicContact CG-CB 3.96Å; F1239-K1276 HydrophobicContact CZ-CB 3.88Å; F1239-A1303 HydrophobicContact CD2-CB 3.75Å; F1239-A1303 HydrophobicContact CE2-CB 3.88Å |
| 1240 | V | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.9 | -38.2 | 179.9 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | D1152 A1164 T1183 S1236 F1237 K1242 T1243 L1244 | D1152-V1240 HydrophobicContact CB-CG2 4.17Å; A1164-V1240 HydrophobicContact CB-CB 3.65Å; A1164-V1240 HydrophobicContact CB-CG1 3.8Å; A1164-V1240 HydrophobicContact CB-CG2 3.97Å; T1183-V1240 HydrophobicContact CG2-CG1 4.27Å; S1236-V1240 WeakPolarHBondContact O-CG1 3.46Å; S1236-V1240 WeakPolarHBondContact O-CG2 3.42Å; S1236-V1240 PolarHBondContact O-N 3.49Å; F1237-V1240 WeakPolarHBondContact O-CG2 3.48Å; V1240-K1242 VanDerWaalsContact C-N 3.34Å; V1240-K1242 PolarHBondContact O-N 3.44Å; V1240-T1243 PolarHBondContact O-N 2.77Å; V1240-L1244 HydrophobicContact CB-CD1 4.47Å; V1240-L1244 VanDerWaalsContact O-CB 3.29Å; V1240-L1244 WeakPolarHBondContact O-CB 3.39Å; V1240-L1244 WeakPolarHBondContact O-CG 3.36Å; V1240-L1244 PolarHBondContact O-N 3.18Å |
| 1241 | S | 95.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 13.1 Ų | 13.1 | 4% | 0.042 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 179.6 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | F1237 P1238 D1245 H1246 F1248 | F1237-S1241 WeakPolarHBondContact O-CB 3.25Å; F1237-S1241 PolarHBondContact O-N 3.01Å; F1237-S1241 PolarHBondContact O-OG 3.46Å; P1238-S1241 PolarHBondContact O-N 3.07Å; S1241-D1245 WeakPolarHBondContact O-CA 3.4Å; S1241-D1245 PolarHBondContact O-N 3.27Å; S1241-D1245 VanDerWaalsContact O-N 3.13Å; S1241-H1246 CarbonylContact C-O 3.55Å; S1241-H1246 WeakPolarHBondContact CA-O 3.2Å; S1241-H1246 WeakPolarHBondContact CB-O 3.21Å; S1241-H1246 PolarHBondContact O-N 2.9Å; S1241-F1248 PolarHBondContact OG-N 2.91Å |
| 1242 | K | 94.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 13 Ų | 13 | 2% | 0.022 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -78.9 | -33.9 | -180 | -70.7 | 169.7 | -175.3 | 173.2 | 0 | 112.7 | I447 T449 T452 F462 P1238 F1239 V1240 K1272 M1471 | I447-K1242 HydrophobicContact CD1-CB 3.91Å; I447-K1242 HydrophobicContact CD1-CD 4.36Å; I447-K1242 HydrophobicContact CG1-CB 4.03Å; I447-K1242 HydrophobicContact CG1-CD 3.58Å; I447-K1242 HydrophobicContact CG1-CG 4.43Å; I447-K1242 WeakPolarHBondContact O-CD 3.31Å; I447-K1242 WeakPolarHBondContact O-CE 3.49Å; I447-K1242 PolarHBondContact O-NZ 2.71Å; T449-K1242 PolarHBondContact O-NZ 3.45Å; T452-K1242 WeakPolarHBondContact O-CE 3.32Å; T452-K1242 PolarHBondContact OG1-NZ 2.88Å; F462-K1242 HydrophobicContact CE1-CD 4.49Å; F462-K1242 HydrophobicContact CZ-CD 4.24Å; P1238-K1242 WeakPolarHBondContact O-CB 3.32Å; P1238-K1242 WeakPolarHBondContact O-CG 3.42Å; P1238-K1242 PolarHBondContact O-N 3.48Å; P1238-K1242 VanDerWaalsContact O-N 3.09Å; F1239-K1242 PolarHBondContact O-N 2.84Å; V1240-K1242 VanDerWaalsContact C-N 3.34Å; V1240-K1242 PolarHBondContact O-N 3.44Å; K1242-K1272 PolarHBondContact O-NZ 2.91Å; K1242-M1471 HydrophobicContact CB-CE 4.06Å; K1242-M1471 HydrophobicContact CB-SD 3.67Å; K1242-M1471 HydrophobicContact CG-CE 4.09Å; K1242-M1471 HydrophobicContact CG-SD 4.1Å; K1242-M1471 VanDerWaalsContact O-SD 3.38Å |
| 1243 | T | 94.9 | Very high | 95 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.3 | -43.8 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | T1183 F1239 V1240 D1245 K1272 F1305 | T1183-T1243 HydrophobicContact CG2-CG2 4.4Å; T1183-T1243 VanDerWaalsContact O-CG2 3.26Å; T1183-T1243 WeakPolarHBondContact O-CG2 3.4Å; F1239-T1243 WeakPolarHBondContact CD2-OG1 3.19Å; F1239-T1243 VanDerWaalsContact CE2-OG1 3.31Å; F1239-T1243 WeakPolarHBondContact CE2-OG1 3.37Å; F1239-T1243 VanDerWaalsContact O-CB 3.23Å; F1239-T1243 WeakPolarHBondContact O-CB 3.29Å; F1239-T1243 PolarHBondContact O-N 3.27Å; F1239-T1243 PolarHBondContact O-OG1 3.16Å; V1240-T1243 PolarHBondContact O-N 2.77Å; T1243-D1245 VanDerWaalsContact C-N 3.35Å; T1243-K1272 WeakPolarHBondContact O-CE 3.41Å; T1243-F1305 HydrophobicContact CG2-CE1 4.39Å |
| 1244 | L | 93.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1.7 | -178.9 | -56.3 | 177.6 | 0 | 0 | 0 | 113.5 | A1164 T1183 P1184 V1240 H1246 F1248 V1266 | A1164-L1244 HydrophobicContact CB-CD1 3.51Å; T1183-L1244 HydrophobicContact CG2-CD1 4.42Å; T1183-L1244 HydrophobicContact CG2-CD2 4.07Å; T1183-L1244 HydrophobicContact CG2-CG 4.26Å; P1184-L1244 HydrophobicContact CG-CD2 3.87Å; V1240-L1244 HydrophobicContact CB-CD1 4.47Å; V1240-L1244 VanDerWaalsContact O-CB 3.29Å; V1240-L1244 WeakPolarHBondContact O-CB 3.39Å; V1240-L1244 WeakPolarHBondContact O-CG 3.36Å; V1240-L1244 PolarHBondContact O-N 3.18Å; L1244-H1246 VanDerWaalsContact C-N 3.25Å; L1244-H1246 PolarHBondContact O-N 3.4Å; L1244-F1248 HydrophobicContact CD1-CE2 4.34Å; L1244-F1248 HydrophobicContact CD1-CZ 4.36Å; L1244-V1266 HydrophobicContact CD1-CB 4.39Å; L1244-V1266 HydrophobicContact CD1-CG2 4.06Å |
| 1245 | D | 89.8 | Confident | 95.2 | Very high | 73 Ų | 73 | 16.5 Ų | 16.5 | 39% | 0.39 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 38.9 | -175.6 | -160.7 | 35.9 | 0 | 0 | 0 | 113.8 | K454 S1241 T1243 V1270 | K454-D1245 WeakPolarHBondContact CD-OD1 3.49Å; K454-D1245 IonicContact NZ-OD1 2.9Å; K454-D1245 PolarHBondContact NZ-OD1 2.54Å; K454-D1245 IonicContact NZ-OD2 3.68Å; K454-D1245 PolarHBondContact NZ-OD2 3.27Å; S1241-D1245 WeakPolarHBondContact O-CA 3.4Å; S1241-D1245 PolarHBondContact O-N 3.27Å; S1241-D1245 VanDerWaalsContact O-N 3.13Å; T1243-D1245 VanDerWaalsContact C-N 3.35Å; D1245-V1270 HydrophobicContact CB-CG2 4.32Å |
| 1246 | H | 92.6 | Very high | 95.5 | Very high | 40 Ų | 40 | 16 Ų | 16 | 19% | 0.185 | 8% | 0.08 | C | C | . | . | trans | -135.9 | 127.9 | 177.3 | -176.6 | 75 | 0 | 0 | 0 | 110.4 | S1241 L1244 F1248 T1251 L1264 V1266 | S1241-H1246 CarbonylContact C-O 3.55Å; S1241-H1246 WeakPolarHBondContact CA-O 3.2Å; S1241-H1246 WeakPolarHBondContact CB-O 3.21Å; S1241-H1246 PolarHBondContact O-N 2.9Å; L1244-H1246 VanDerWaalsContact C-N 3.25Å; L1244-H1246 PolarHBondContact O-N 3.4Å; H1246-F1248 HydrophobicContact CB-CE2 4.4Å; H1246-F1248 AromaticContact CD2-CD2 3.72Å; H1246-F1248 AromaticContact CD2-CE2 3.76Å; H1246-F1248 WeakPolarHBondContact O-CD2 3.08Å; H1246-F1248 PolarHBondContact O-N 3.3Å; H1246-T1251 PolarHBondContact NE2-OG1 3.03Å; H1246-L1264 WeakPolarHBondContact ND1-CD2 3.45Å; H1246-V1266 HydrophobicContact CB-CG1 3.87Å | ||
| 1247 | D | 94 | Very high | 95.4 | Very high | 62 Ų | 62 | 17 Ų | 17 | 33% | 0.332 | 9% | 0.085 | S | C | . | . | trans | -83.8 | 96.4 | -176 | -170.9 | -20.8 | 0 | 0 | 0 | 111.4 | V1249 A1250 T1251 | D1247-V1249 VanDerWaalsContact C-N 3.26Å; D1247-V1249 PolarHBondContact O-N 3.04Å; D1247-V1249 PolarHBondContact OD1-N 3.23Å; D1247-A1250 HydrophobicContact CB-CB 3.93Å; D1247-A1250 VanDerWaalsContact CG-CB 3.5Å; D1247-A1250 PolarHBondContact O-N 3.13Å; D1247-A1250 PolarHBondContact OD1-N 3.45Å; D1247-T1251 PolarHBondContact O-N 2.82Å; D1247-T1251 PolarHBondContact O-OG1 3.43Å | ||
| 1248 | F | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.3 | -31.2 | 179.9 | -81.2 | -127.2 | 0 | 0 | 0 | 111.9 | V1154 C1162 A1164 F1237 S1241 L1244 H1246 A1252 V1266 | V1154-F1248 HydrophobicContact CG2-CB 4.1Å; V1154-F1248 HydrophobicContact CG2-CD1 3.96Å; V1154-F1248 HydrophobicContact CG2-CG 4.37Å; V1154-F1248 WeakPolarHBondContact CG2-O 3.32Å; C1162-F1248 HydrophobicContact CB-CE1 4.4Å; C1162-F1248 HydrophobicContact CB-CZ 4.23Å; A1164-F1248 HydrophobicContact CB-CE1 4.1Å; A1164-F1248 HydrophobicContact CB-CZ 3.78Å; F1237-F1248 HydrophobicContact CD1-CB 3.72Å; F1237-F1248 HydrophobicContact CE1-CB 3.73Å; F1237-F1248 HydrophobicContact CE1-CD1 4.23Å; F1237-F1248 HydrophobicContact CE1-CG 4.47Å; S1241-F1248 PolarHBondContact OG-N 2.91Å; L1244-F1248 HydrophobicContact CD1-CE2 4.34Å; L1244-F1248 HydrophobicContact CD1-CZ 4.36Å; H1246-F1248 HydrophobicContact CB-CE2 4.4Å; H1246-F1248 AromaticContact CD2-CD2 3.72Å; H1246-F1248 AromaticContact CD2-CE2 3.76Å; H1246-F1248 WeakPolarHBondContact O-CD2 3.08Å; H1246-F1248 PolarHBondContact O-N 3.3Å; F1248-A1252 VanDerWaalsContact O-CB 3.26Å; F1248-A1252 WeakPolarHBondContact O-CB 3.34Å; F1248-A1252 PolarHBondContact O-N 3.06Å; F1248-V1266 HydrophobicContact CE2-CG2 3.94Å; F1248-V1266 HydrophobicContact CZ-CG2 3.76Å |
| 1249 | V | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.9 | -44 | -179.8 | 172.9 | 0 | 0 | 0 | 0 | 110 | W967 C968 C972 M1029 F1237 D1247 T1251 A1252 T1253 | W967-V1249 HydrophobicContact CE3-CG2 4.06Å; W967-V1249 HydrophobicContact CH2-CG2 4.13Å; W967-V1249 HydrophobicContact CZ3-CB 4.28Å; W967-V1249 HydrophobicContact CZ3-CG2 3.42Å; W967-V1249 VanDerWaalsContact CZ3-CG2 3.42Å; C968-V1249 HydrophobicContact CB-CG2 4.15Å; C968-V1249 WeakPolarHBondContact O-CG1 3.43Å; C972-V1249 HydrophobicContact CB-CG1 4.25Å; M1029-V1249 HydrophobicContact SD-CG1 4.24Å; F1237-V1249 HydrophobicContact CD1-CG2 4.25Å; D1247-V1249 VanDerWaalsContact C-N 3.26Å; D1247-V1249 PolarHBondContact O-N 3.04Å; D1247-V1249 PolarHBondContact OD1-N 3.23Å; V1249-T1251 VanDerWaalsContact C-N 3.34Å; V1249-T1251 PolarHBondContact O-N 2.89Å; V1249-A1252 WeakPolarHBondContact O-CB 3.48Å; V1249-A1252 PolarHBondContact O-N 3.46Å; V1249-A1252 VanDerWaalsContact O-N 3.16Å; V1249-T1253 PolarHBondContact O-N 3.48Å; V1249-T1253 PolarHBondContact O-OG1 3.2Å; V1249-T1253 VanDerWaalsContact O-OG1 3.06Å |
| 1250 | A | 95.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | E975 D1247 A1252 T1253 R1254 | E975-A1250 HydrophobicContact CB-CB 4.49Å; E975-A1250 HydrophobicContact CG-CB 4.02Å; D1247-A1250 HydrophobicContact CB-CB 3.93Å; D1247-A1250 VanDerWaalsContact CG-CB 3.5Å; D1247-A1250 PolarHBondContact O-N 3.13Å; D1247-A1250 PolarHBondContact OD1-N 3.45Å; A1250-A1252 VanDerWaalsContact C-N 3.34Å; A1250-A1252 PolarHBondContact O-N 3.5Å; A1250-T1253 PolarHBondContact O-N 3.12Å; A1250-R1254 WeakPolarHBondContact O-CG 3.38Å; A1250-R1254 PolarHBondContact O-N 3.39Å |
| 1251 | T | 97.3 | Very high | 93.8 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 174 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | V1154 L1161 H1246 D1247 V1249 R1254 A1255 V1261 | V1154-T1251 HydrophobicContact CB-CG2 4.24Å; V1154-T1251 HydrophobicContact CG1-CG2 3.95Å; L1161-T1251 HydrophobicContact CB-CG2 3.92Å; L1161-T1251 HydrophobicContact CD1-CG2 3.96Å; H1246-T1251 PolarHBondContact NE2-OG1 3.03Å; D1247-T1251 PolarHBondContact O-N 2.82Å; D1247-T1251 PolarHBondContact O-OG1 3.43Å; V1249-T1251 VanDerWaalsContact C-N 3.34Å; V1249-T1251 PolarHBondContact O-N 2.89Å; T1251-R1254 PolarHBondContact O-N 3.45Å; T1251-A1255 PolarHBondContact O-N 3.24Å; T1251-A1255 VanDerWaalsContact O-N 3.1Å; T1251-V1261 HydrophobicContact CG2-CG1 4.03Å |
| 1252 | A | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1029 V1154 P1212 F1248 V1249 A1250 R1254 A1255 I1256 | M1029-A1252 HydrophobicContact CE-CB 4.22Å; V1154-A1252 VanDerWaalsContact CG1-CA 3.47Å; V1154-A1252 HydrophobicContact CG1-CB 3.8Å; V1154-A1252 HydrophobicContact CG2-CB 4.04Å; P1212-A1252 HydrophobicContact CB-CB 4.13Å; P1212-A1252 HydrophobicContact CG-CB 4.24Å; F1248-A1252 VanDerWaalsContact O-CB 3.26Å; F1248-A1252 WeakPolarHBondContact O-CB 3.34Å; F1248-A1252 PolarHBondContact O-N 3.06Å; V1249-A1252 WeakPolarHBondContact O-CB 3.48Å; V1249-A1252 PolarHBondContact O-N 3.46Å; V1249-A1252 VanDerWaalsContact O-N 3.16Å; A1250-A1252 VanDerWaalsContact C-N 3.34Å; A1250-A1252 PolarHBondContact O-N 3.5Å; A1252-R1254 VanDerWaalsContact C-N 3.34Å; A1252-R1254 PolarHBondContact O-N 2.84Å; A1252-A1255 PolarHBondContact O-N 3.35Å; A1252-I1256 WeakPolarHBondContact O-CB 3.24Å; A1252-I1256 WeakPolarHBondContact O-CD1 3.49Å; A1252-I1256 WeakPolarHBondContact O-CG1 3.4Å; A1252-I1256 PolarHBondContact O-N 2.7Å |
| 1253 | T | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | C972 E975 L976 V1249 A1250 A1255 I1256 V1257 | C972-T1253 WeakPolarHBondContact CA-OG1 3.49Å; C972-T1253 PolarHBondContact SG-OG1 3.08Å; E975-T1253 HydrophobicContact CB-CG2 3.99Å; E975-T1253 HydrophobicContact CG-CG2 4.17Å; L976-T1253 HydrophobicContact CD2-CG2 3.86Å; L976-T1253 HydrophobicContact CG-CG2 3.84Å; V1249-T1253 PolarHBondContact O-N 3.48Å; V1249-T1253 PolarHBondContact O-OG1 3.2Å; V1249-T1253 VanDerWaalsContact O-OG1 3.06Å; A1250-T1253 PolarHBondContact O-N 3.12Å; T1253-A1255 PolarHBondContact O-N 3.19Å; T1253-I1256 PolarHBondContact O-N 2.98Å; T1253-V1257 WeakPolarHBondContact O-CG2 3.31Å; T1253-V1257 PolarHBondContact O-N 3.47Å |
| 1254 | R | 97.1 | Very high | 92.5 | Very high | 101 Ų | 101 | 45.8 Ų | 45.8 | 38% | 0.381 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 176.1 | -71.1 | 175.9 | -172.2 | -177.7 | 5 | 112.1 | E975 L979 A1250 T1251 A1252 V1257 G1258 L1259 V1261 | E975-R1254 HydrophobicContact CG-CG 4.43Å; E975-R1254 IonicContact OE1-CZ 3.05Å; E975-R1254 IonicContact OE1-NE 3.27Å; E975-R1254 PolarHBondContact OE1-NE 3.48Å; E975-R1254 IonicContact OE1-NH2 3.04Å; E975-R1254 PolarHBondContact OE1-NH2 3.16Å; L979-R1254 HydrophobicContact CD1-CG 4.33Å; A1250-R1254 WeakPolarHBondContact O-CG 3.38Å; A1250-R1254 PolarHBondContact O-N 3.39Å; T1251-R1254 PolarHBondContact O-N 3.45Å; A1252-R1254 VanDerWaalsContact C-N 3.34Å; A1252-R1254 PolarHBondContact O-N 2.84Å; R1254-V1257 WeakPolarHBondContact O-CG2 3.33Å; R1254-V1257 PolarHBondContact O-N 3.4Å; R1254-G1258 PolarHBondContact O-N 3.37Å; R1254-L1259 HydrophobicContact CB-CB 4.25Å; R1254-L1259 HydrophobicContact CB-CD1 4.34Å; R1254-L1259 HydrophobicContact CG-CD1 4.16Å; R1254-L1259 WeakPolarHBondContact O-CB 3.47Å; R1254-L1259 PolarHBondContact O-N 3.27Å; R1254-V1261 HydrophobicContact CB-CG2 3.48Å; R1254-V1261 VanDerWaalsContact CB-CG2 3.48Å; R1254-V1261 HydrophobicContact CG-CG2 4.47Å |
| 1255 | A | 95.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1161 T1210 T1251 A1252 T1253 V1257 G1258 | L1161-A1255 HydrophobicContact CD1-CB 3.89Å; T1210-A1255 HydrophobicContact CG2-CB 4.47Å; T1210-A1255 WeakPolarHBondContact CG2-O 3.47Å; T1251-A1255 PolarHBondContact O-N 3.24Å; T1251-A1255 VanDerWaalsContact O-N 3.1Å; A1252-A1255 PolarHBondContact O-N 3.35Å; T1253-A1255 PolarHBondContact O-N 3.19Å; A1255-V1257 VanDerWaalsContact C-N 3.31Å; A1255-V1257 PolarHBondContact O-N 3.43Å; A1255-G1258 PolarHBondContact O-N 2.79Å |
| 1256 | I | 96.2 | Very high | 91.9 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 179 | -73.6 | 165.5 | 0 | 0 | 0 | 111.9 | I1026 M1029 L1049 A1252 T1253 G1258 | I1026-I1256 HydrophobicContact CD1-CG2 3.8Å; I1026-I1256 HydrophobicContact CG1-CG2 3.9Å; I1026-I1256 HydrophobicContact CG2-CD1 4.3Å; M1029-I1256 HydrophobicContact CE-CD1 3.56Å; L1049-I1256 HydrophobicContact CB-CG2 3.74Å; A1252-I1256 WeakPolarHBondContact O-CB 3.24Å; A1252-I1256 WeakPolarHBondContact O-CD1 3.49Å; A1252-I1256 WeakPolarHBondContact O-CG1 3.4Å; A1252-I1256 PolarHBondContact O-N 2.7Å; T1253-I1256 PolarHBondContact O-N 2.98Å; I1256-G1258 VanDerWaalsContact C-N 3.26Å; I1256-G1258 PolarHBondContact O-N 3.21Å |
| 1257 | V | 93 | Very high | 91.5 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 3.2 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | L976 L979 T1253 R1254 A1255 L1259 | L976-V1257 HydrophobicContact CD2-CG1 3.65Å; L979-V1257 HydrophobicContact CD1-CG2 3.98Å; T1253-V1257 WeakPolarHBondContact O-CG2 3.31Å; T1253-V1257 PolarHBondContact O-N 3.47Å; R1254-V1257 WeakPolarHBondContact O-CG2 3.33Å; R1254-V1257 PolarHBondContact O-N 3.4Å; A1255-V1257 VanDerWaalsContact C-N 3.31Å; A1255-V1257 PolarHBondContact O-N 3.43Å; V1257-L1259 HydrophobicContact CG2-CD1 3.98Å; V1257-L1259 HydrophobicContact CG2-CG 3.95Å |
| 1258 | G | 88.7 | Confident | 90.7 | Very high | 65 Ų | 65 | 48 Ų | 48 | 67% | 0.67 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 20.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1254 A1255 I1256 | R1254-G1258 PolarHBondContact O-N 3.37Å; A1255-G1258 PolarHBondContact O-N 2.79Å; I1256-G1258 VanDerWaalsContact C-N 3.26Å; I1256-G1258 PolarHBondContact O-N 3.21Å |
| 1259 | L | 89.5 | Confident | 89.8 | Confident | 77 Ų | 77 | 49.3 Ų | 49.3 | 40% | 0.403 | 27% | 0.273 | S | S | . | . | trans | -77.2 | 144.8 | 171.7 | -67.7 | 171.7 | 0 | 0 | 0 | 110.7 | L979 R1254 V1257 | L979-L1259 HydrophobicContact CD1-CD1 3.69Å; L979-L1259 HydrophobicContact CD2-CD1 3.63Å; L979-L1259 HydrophobicContact CG-CD1 4.3Å; R1254-L1259 HydrophobicContact CB-CB 4.25Å; R1254-L1259 HydrophobicContact CB-CD1 4.34Å; R1254-L1259 HydrophobicContact CG-CD1 4.16Å; R1254-L1259 WeakPolarHBondContact O-CB 3.47Å; R1254-L1259 PolarHBondContact O-N 3.27Å; V1257-L1259 HydrophobicContact CG2-CD1 3.98Å; V1257-L1259 HydrophobicContact CG2-CG 3.95Å | ||
| 1260 | D | 84 | Confident | 88.9 | Confident | 125 Ų | 125 | 53.4 Ų | 53.4 | 67% | 0.668 | 30% | 0.298 | S | S | * | . | trans | -74.9 | 125.6 | 171.6 | -145.2 | -20.4 | 0 | 0 | 0 | 109 | R1889 | D1260-R1889 IonicContact OD2-CZ 2.7Å; D1260-R1889 IonicContact OD2-NH2 3.81Å; D1260-R1889 PolarHBondContact OD2-NH2 3.32Å | ||
| 1261 | V | 88.4 | Confident | 88.2 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | trans | -126 | 125 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | L1161 T1251 R1254 | L1161-V1261 HydrophobicContact CD1-CB 3.98Å; L1161-V1261 HydrophobicContact CD1-CG1 4.37Å; L1161-V1261 WeakPolarHBondContact CD2-O 3.32Å; T1251-V1261 HydrophobicContact CG2-CG1 4.03Å; R1254-V1261 HydrophobicContact CB-CG2 3.48Å; R1254-V1261 VanDerWaalsContact CB-CG2 3.48Å; R1254-V1261 HydrophobicContact CG-CG2 4.47Å | ||
| 1262 | E | 84.4 | Confident | 87.9 | Confident | 179 Ų | 179 | 56.5 Ų | 56.5 | 84% | 0.836 | 33% | 0.327 | S | S | * | . | trans | -67.1 | 130.3 | 177.1 | -67.5 | -166.3 | 148 | 0 | 0 | 110.4 | ||||
| 1263 | P | 87.5 | Confident | 87.8 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 40% | 0.403 | 33% | 0.329 | S | S | . | . | trans | -62.9 | 138 | 174.5 | -22.7 | 33.4 | 0 | 0 | 0 | 111.9 | L1161 | L1161-P1263 HydrophobicContact CD2-CG 4.16Å; L1161-P1263 CarbonylContact O-C 3.6Å; L1161-P1263 WeakPolarHBondContact O-CA 3.22Å | ||
| 1264 | L | 86.1 | Confident | 87.7 | Confident | 90 Ų | 90 | 56.8 Ų | 56.8 | 47% | 0.471 | 33% | 0.329 | S | S | . | . | trans | -123.6 | 130.9 | 178.5 | -173.1 | 71.6 | 0 | 0 | 0 | 110.2 | L1161 H1246 V1266 | L1161-L1264 PolarHBondContact O-N 2.97Å; H1246-L1264 WeakPolarHBondContact ND1-CD2 3.45Å; L1264-V1266 HydrophobicContact CD2-CG1 3.55Å; L1264-V1266 HydrophobicContact CG-CG1 3.85Å; L1264-V1266 PolarHBondContact O-N 2.81Å | ||
| 1265 | D | 84.3 | Confident | 87.8 | Confident | 59 Ų | 59 | 52 Ų | 52 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | trans | -86.5 | 102.8 | 173 | -167.1 | -10.2 | 0 | 0 | 0 | 110.4 | L1267 F1850 | D1265-L1267 WeakPolarHBondContact OD1-CB 3.38Å; D1265-L1267 PolarHBondContact OD1-N 2.91Å; D1265-L1267 VanDerWaalsContact OD1-N 3.09Å; D1265-F1850 HydrophobicContact CB-CE1 4.12Å; D1265-F1850 HydrophobicContact CB-CE2 4.32Å; D1265-F1850 HydrophobicContact CB-CZ 3.56Å | ||
| 1266 | V | 86.7 | Confident | 87.9 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.085 | 31% | 0.309 | C | S | . | . | trans | -106 | 6.6 | 177.8 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | C1162 M1163 L1244 H1246 F1248 L1264 H1268 G1269 | C1162-V1266 HydrophobicContact CB-CG2 4.3Å; M1163-V1266 WeakPolarHBondContact O-CG2 3.42Å; L1244-V1266 HydrophobicContact CD1-CB 4.39Å; L1244-V1266 HydrophobicContact CD1-CG2 4.06Å; H1246-V1266 HydrophobicContact CB-CG1 3.87Å; F1248-V1266 HydrophobicContact CE2-CG2 3.94Å; F1248-V1266 HydrophobicContact CZ-CG2 3.76Å; L1264-V1266 HydrophobicContact CD2-CG1 3.55Å; L1264-V1266 HydrophobicContact CG-CG1 3.85Å; L1264-V1266 PolarHBondContact O-N 2.81Å; V1266-H1268 VanDerWaalsContact C-N 3.27Å; V1266-H1268 PolarHBondContact O-N 3.37Å; V1266-G1269 PolarHBondContact O-N 3.13Å | ||
| 1267 | L | 83.7 | Confident | 87.9 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -32.3 | -167.5 | -169.9 | 63.6 | 0 | 0 | 0 | 113.4 | M1163 V1165 L1193 D1265 | M1163-L1267 HydrophobicContact CE-CD1 4.26Å; M1163-L1267 HydrophobicContact CG-CD1 4.38Å; V1165-L1267 HydrophobicContact CB-CD1 4.03Å; V1165-L1267 HydrophobicContact CG2-CD1 3.55Å; L1193-L1267 HydrophobicContact CD1-CD1 4.12Å; L1193-L1267 HydrophobicContact CD1-CD2 4.02Å; L1193-L1267 HydrophobicContact CD1-CG 4.26Å; L1193-L1267 HydrophobicContact CD2-CD2 3.71Å; L1193-L1267 HydrophobicContact CD2-CG 4.14Å; L1193-L1267 HydrophobicContact CG-CD2 3.77Å; L1193-L1267 HydrophobicContact CG-CG 4.42Å; D1265-L1267 WeakPolarHBondContact OD1-CB 3.38Å; D1265-L1267 PolarHBondContact OD1-N 2.91Å; D1265-L1267 VanDerWaalsContact OD1-N 3.09Å |
| 1268 | H | 78.3 | Confident | 88 | Confident | 143 Ų | 143 | 50.6 Ų | 50.6 | 66% | 0.662 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.9 | -179.4 | -60.8 | 90.4 | 0 | 0 | 0 | 113.4 | V1266 | V1266-H1268 VanDerWaalsContact C-N 3.27Å; V1266-H1268 PolarHBondContact O-N 3.37Å |
| 1269 | G | 77.3 | Confident | 88.2 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 27% | 0.268 | 28% | 0.275 | S | S | . | . | trans | 67.9 | -163.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1266 | V1266-G1269 PolarHBondContact O-N 3.13Š| ||
| 1270 | V | 78.7 | Confident | 88.4 | Confident | 86 Ų | 86 | 47.3 Ų | 47.3 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -119 | 33 | -171.9 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | D1245 K1272 | D1245-V1270 HydrophobicContact CB-CG2 4.32Å; V1270-K1272 HydrophobicContact CG2-CD 4.47Å; V1270-K1272 HydrophobicContact CG2-CG 4.2Å |
| 1271 | G | 80.7 | Confident | 88.7 | Confident | 62 Ų | 62 | 41.5 Ų | 41.5 | 64% | 0.639 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 80.9 | 15.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1272 | K | 90.6 | Very high | 88.7 | Confident | 25 Ų | 25 | 41.2 Ų | 41.2 | 11% | 0.109 | 23% | 0.233 | C | C | . | . | trans | -132.3 | 153.7 | 172.8 | 66.2 | -178.1 | -177.9 | 172.3 | 0 | 111 | K1242 T1243 V1270 F1305 T1468 | K1242-K1272 PolarHBondContact O-NZ 2.91Å; T1243-K1272 WeakPolarHBondContact O-CE 3.41Å; V1270-K1272 HydrophobicContact CG2-CD 4.47Å; V1270-K1272 HydrophobicContact CG2-CG 4.2Å; K1272-F1305 HydrophobicContact CD-CD2 4.3Å; K1272-F1305 HydrophobicContact CD-CG 4.23Å; K1272-T1468 HydrophobicContact CB-CG2 4.19Å | ||
| 1273 | V | 95 | Very high | 88.5 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.1 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | V1182 Q1186 V1275 F1305 G1306 R1309 | V1182-V1273 HydrophobicContact CG1-CG1 3.7Å; Q1186-V1273 HydrophobicContact CG-CG1 4.14Å; Q1186-V1273 HydrophobicContact CG-CG2 4.15Å; V1273-V1275 HydrophobicContact CG1-CG2 4.44Å; V1273-F1305 CarbonylContact O-C 3.59Å; V1273-F1305 WeakPolarHBondContact O-CA 3.02Å; V1273-G1306 PolarHBondContact N-O 2.96Å; V1273-G1306 PolarHBondContact O-N 3.37Å; V1273-R1309 HydrophobicContact CG1-CB 4.2Å |
| 1274 | G | 96.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 140.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | T1183 | T1183-G1274 PolarHBondContact N-O 3.35Å; T1183-G1274 PolarHBondContact O-N 3.08Å |
| 1275 | V | 98.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.1 | 170.6 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | T1180 L1181 V1182 V1273 V1277 A1303 C1304 R1309 A1312 Y1313 A1316 | T1180-V1275 HydrophobicContact CG2-CG1 3.72Å; L1181-V1275 CarbonylContact O-C 3.53Å; L1181-V1275 VanDerWaalsContact O-CA 3.28Å; L1181-V1275 WeakPolarHBondContact O-CA 3.37Å; V1182-V1275 HydrophobicContact CG1-CG2 4.29Å; V1182-V1275 HydrophobicContact CG2-CG2 4.17Å; V1273-V1275 HydrophobicContact CG1-CG2 4.44Å; V1275-V1277 HydrophobicContact CG1-CG2 4.28Å; V1275-A1303 VanDerWaalsContact O-CA 3.23Å; V1275-A1303 WeakPolarHBondContact O-CA 3.28Å; V1275-A1303 WeakPolarHBondContact O-CB 3.42Å; V1275-C1304 PolarHBondContact N-O 3.33Å; V1275-C1304 PolarHBondContact O-N 3.21Å; V1275-R1309 HydrophobicContact CG2-CB 4.42Å; V1275-A1312 HydrophobicContact CB-CB 3.91Å; V1275-A1312 HydrophobicContact CG2-CB 3.49Å; V1275-A1312 VanDerWaalsContact CG2-CB 3.49Å; V1275-Y1313 HydrophobicContact CG1-CD2 3.9Å; V1275-Y1313 HydrophobicContact CG1-CG 4.5Å; V1275-A1316 WeakPolarHBondContact O-CB 3.37Å |
| 1276 | K | 97.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130 | 174.1 | 168.2 | -105.1 | 167.1 | -176.2 | 0 | 109.3 | S1176 G1177 A1179 T1180 L1181 F1239 E1301 V1302 A1303 | S1176-K1276 PolarHBondContact O-NZ 3.29Å; G1177-K1276 PolarHBondContact O-NZ 3.18Å; A1179-K1276 PolarHBondContact O-NZ 2.92Å; T1180-K1276 CarbonylContact C-O 3.58Å; T1180-K1276 WeakPolarHBondContact CA-O 3.44Å; T1180-K1276 WeakPolarHBondContact CG2-O 3.41Å; L1181-K1276 HydrophobicContact CB-CB 4.34Å; L1181-K1276 HydrophobicContact CB-CD 4.21Å; L1181-K1276 HydrophobicContact CD1-CD 3.98Å; L1181-K1276 HydrophobicContact CG-CD 3.91Å; L1181-K1276 PolarHBondContact N-O 3Å; L1181-K1276 PolarHBondContact O-N 2.87Å; F1239-K1276 HydrophobicContact CD1-CB 4Å; F1239-K1276 HydrophobicContact CD2-CB 3.86Å; F1239-K1276 HydrophobicContact CE1-CB 3.94Å; F1239-K1276 HydrophobicContact CE2-CB 3.84Å; F1239-K1276 HydrophobicContact CG-CB 3.96Å; F1239-K1276 HydrophobicContact CZ-CB 3.88Å; K1276-E1301 WeakPolarHBondContact CE-OE2 3.4Å; K1276-E1301 HydrophobicContact CG-CB 4.12Å; K1276-E1301 IonicContact NZ-OE2 2.97Å; K1276-V1302 CarbonylContact C-O 3.46Å; K1276-V1302 VanDerWaalsContact CA-O 3.3Å; K1276-V1302 WeakPolarHBondContact CA-O 3.49Å; K1276-A1303 HydrophobicContact CB-CB 4.13Å |
| 1277 | V | 96.9 | Very high | 87.2 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.8 | 176.5 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | T1180 V1275 E1301 V1302 Y1313 A1316 M1317 T1320 | T1180-V1277 HydrophobicContact CG2-CG2 4.05Å; V1275-V1277 HydrophobicContact CG1-CG2 4.28Å; V1277-E1301 WeakPolarHBondContact O-CA 3.23Å; V1277-V1302 HydrophobicContact CB-CG2 4.19Å; V1277-V1302 PolarHBondContact N-O 3.04Å; V1277-V1302 PolarHBondContact O-N 3.41Å; V1277-Y1313 HydrophobicContact CG2-CD2 4.26Å; V1277-Y1313 HydrophobicContact CG2-CE2 4.32Å; V1277-A1316 HydrophobicContact CB-CB 4.22Å; V1277-A1316 HydrophobicContact CG2-CB 3.51Å; V1277-M1317 HydrophobicContact CG1-SD 3.83Å; V1277-M1317 HydrophobicContact CG2-CG 4.45Å; V1277-M1317 HydrophobicContact CG2-SD 4.37Å; V1277-T1320 HydrophobicContact CB-CG2 4.31Å; V1277-T1320 HydrophobicContact CG1-CG2 3.71Å |
| 1278 | P | 95.1 | Very high | 87.2 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 144.3 | 175.9 | 32.4 | -43 | 0 | 0 | 0 | 112.8 | D1178 F1280 | D1178-P1278 VanDerWaalsContact O-CG 3.3Å; D1178-P1278 WeakPolarHBondContact O-CG 3.13Å; P1278-F1280 HydrophobicContact CB-CD2 4.47Å; P1278-F1280 HydrophobicContact CB-CE1 4.24Å; P1278-F1280 HydrophobicContact CB-CE2 3.76Å; P1278-F1280 HydrophobicContact CB-CZ 3.61Å; P1278-F1280 HydrophobicContact CG-CD2 4.33Å; P1278-F1280 HydrophobicContact CG-CE2 3.35Å; P1278-F1280 HydrophobicContact CG-CZ 3.46Å; P1278-F1280 VanDerWaalsContact CG-CZ 3.46Å |
| 1279 | Q | 93.6 | Very high | 87.3 | Confident | 24 Ų | 24 | 24.2 Ų | 24.2 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.7 | 167.9 | -175.6 | 65 | 43.5 | 0 | 0 | 109.5 | L414 S1298 T1299 G1300 T1320 | L414-Q1279 WeakPolarHBondContact O-CG 3.48Å; Q1279-S1298 CarbonylContact O-C 3.56Å; Q1279-S1298 WeakPolarHBondContact O-CA 3.49Å; Q1279-S1298 WeakPolarHBondContact O-CB 3.49Å; Q1279-T1299 PolarHBondContact O-N 3.01Å; Q1279-T1299 PolarHBondContact O-OG1 3.06Å; Q1279-G1300 PolarHBondContact N-O 3.02Å; Q1279-G1300 PolarHBondContact O-N 3.1Å; Q1279-T1320 VanDerWaalsContact OE1-CA 3.24Å |
| 1280 | F | 92.8 | Very high | 87.5 | Confident | 50 Ų | 50 | 23.6 Ų | 23.6 | 22% | 0.219 | 15% | 0.154 | C | C | . | . | trans | -110 | 156.4 | 177.8 | -58.2 | -77.5 | 0 | 0 | 0 | 112 | D1178 P1278 F1282 L1292 A1297 | D1178-F1280 HydrophobicContact CB-CE1 4.03Å; D1178-F1280 HydrophobicContact CB-CZ 3.96Å; P1278-F1280 HydrophobicContact CB-CD2 4.47Å; P1278-F1280 HydrophobicContact CB-CE1 4.24Å; P1278-F1280 HydrophobicContact CB-CE2 3.76Å; P1278-F1280 HydrophobicContact CB-CZ 3.61Å; P1278-F1280 HydrophobicContact CG-CD2 4.33Å; P1278-F1280 HydrophobicContact CG-CE2 3.35Å; P1278-F1280 HydrophobicContact CG-CZ 3.46Å; P1278-F1280 VanDerWaalsContact CG-CZ 3.46Å; F1280-F1282 HydrophobicContact CB-CD2 3.5Å; F1280-F1282 HydrophobicContact CB-CE2 3.46Å; F1280-F1282 VanDerWaalsContact CB-CE2 3.46Å; F1280-F1282 HydrophobicContact CB-CG 4.32Å; F1280-F1282 HydrophobicContact CB-CZ 4.25Å; F1280-F1282 HydrophobicContact CD1-CD2 4.41Å; F1280-F1282 AromaticContact CD1-CE2 3.5Å; F1280-F1282 HydrophobicContact CD1-CE2 3.5Å; F1280-F1282 AromaticContact CD1-CZ 3.67Å; F1280-F1282 HydrophobicContact CD1-CZ 3.67Å; F1280-F1282 AromaticContact CD2-CE2 3.99Å; F1280-F1282 HydrophobicContact CD2-CE2 3.99Å; F1280-F1282 HydrophobicContact CE1-CE2 4.22Å; F1280-F1282 HydrophobicContact CE1-CZ 4.24Å; F1280-F1282 AromaticContact CG-CD2 3.97Å; F1280-F1282 HydrophobicContact CG-CD2 3.97Å; F1280-F1282 AromaticContact CG-CE2 3.38Å; F1280-F1282 HydrophobicContact CG-CE2 3.38Å; F1280-F1282 HydrophobicContact CG-CZ 4.05Å; F1280-L1292 HydrophobicContact CE1-CD2 3.62Å; F1280-L1292 HydrophobicContact CE2-CD2 4.37Å; F1280-L1292 HydrophobicContact CZ-CD1 4.12Å; F1280-L1292 HydrophobicContact CZ-CD2 3.51Å; F1280-L1292 HydrophobicContact CZ-CG 4.46Å; F1280-A1297 HydrophobicContact CD1-CB 4.44Å; F1280-A1297 HydrophobicContact CE1-CB 4.38Å | ||
| 1281 | S | 90.2 | Very high | 87.5 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | trans | -118.3 | 30.7 | 178.1 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | S415 I416 S1283 R1284 L1285 T1299 | S415-S1281 WeakPolarHBondContact CA-OG 3.49Å; I416-S1281 PolarHBondContact N-OG 2.86Å; S1281-S1283 PolarHBondContact O-N 2.7Å; S1281-S1283 VanDerWaalsContact O-N 3.11Å; S1281-R1284 WeakPolarHBondContact O-CB 3.35Å; S1281-R1284 PolarHBondContact O-N 3.4Å; S1281-L1285 PolarHBondContact O-N 2.53Å; S1281-T1299 PolarHBondContact OG-OG1 2.89Å | ||
| 1282 | F | 88 | Confident | 87.8 | Confident | 13 Ų | 13 | 22.9 Ų | 22.9 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.9 | -176.9 | -63.3 | -57.8 | 0 | 0 | 0 | 114.3 | F759 F1280 R1284 L1285 A1288 V1290 L1292 A1297 R1432 V1435 | F759-F1282 HydrophobicContact CE1-CE1 4.2Å; F1280-F1282 HydrophobicContact CB-CD2 3.5Å; F1280-F1282 HydrophobicContact CB-CE2 3.46Å; F1280-F1282 VanDerWaalsContact CB-CE2 3.46Å; F1280-F1282 HydrophobicContact CB-CG 4.32Å; F1280-F1282 HydrophobicContact CB-CZ 4.25Å; F1280-F1282 HydrophobicContact CD1-CD2 4.41Å; F1280-F1282 AromaticContact CD1-CE2 3.5Å; F1280-F1282 HydrophobicContact CD1-CE2 3.5Å; F1280-F1282 AromaticContact CD1-CZ 3.67Å; F1280-F1282 HydrophobicContact CD1-CZ 3.67Å; F1280-F1282 AromaticContact CD2-CE2 3.99Å; F1280-F1282 HydrophobicContact CD2-CE2 3.99Å; F1280-F1282 HydrophobicContact CE1-CE2 4.22Å; F1280-F1282 HydrophobicContact CE1-CZ 4.24Å; F1280-F1282 AromaticContact CG-CD2 3.97Å; F1280-F1282 HydrophobicContact CG-CD2 3.97Å; F1280-F1282 AromaticContact CG-CE2 3.38Å; F1280-F1282 HydrophobicContact CG-CE2 3.38Å; F1280-F1282 HydrophobicContact CG-CZ 4.05Å; F1282-R1284 PolarHBondContact O-N 3.26Å; F1282-L1285 PolarHBondContact O-N 3.43Å; F1282-A1288 HydrophobicContact CD1-CB 4.04Å; F1282-V1290 HydrophobicContact CB-CG2 4.45Å; F1282-V1290 HydrophobicContact CD2-CB 4.39Å; F1282-V1290 HydrophobicContact CD2-CG1 3.72Å; F1282-V1290 HydrophobicContact CD2-CG2 4.34Å; F1282-V1290 HydrophobicContact CE2-CB 4.48Å; F1282-V1290 HydrophobicContact CE2-CG1 3.76Å; F1282-V1290 HydrophobicContact CG-CG1 4.48Å; F1282-V1290 HydrophobicContact CG-CG2 4.32Å; F1282-L1292 HydrophobicContact CZ-CD2 4.45Å; F1282-A1297 HydrophobicContact CE1-CB 4.16Å; F1282-A1297 HydrophobicContact CZ-CB 4.02Å; F1282-R1432 PolarHBondContact O-NH1 2.96Å; F1282-R1432 PolarHBondContact O-NH2 3.03Å; F1282-V1435 HydrophobicContact CB-CG1 4.01Å |
| 1283 | S | 80.7 | Confident | 87.4 | Confident | 49 Ų | 49 | 23 Ų | 23 | 34% | 0.343 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.9 | 175 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | S1281 | S1281-S1283 PolarHBondContact O-N 2.7Å; S1281-S1283 VanDerWaalsContact O-N 3.11Å |
| 1284 | R | 80.1 | Confident | 86.8 | Confident | 23 Ų | 23 | 23.6 Ų | 23.6 | 9% | 0.087 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -27.9 | 178.3 | -64.3 | -82.5 | -180 | -168.8 | -9.5 | 113 | I416 L570 G571 S1281 F1282 A1286 | I416-R1284 HydrophobicContact CB-CB 4.17Å; I416-R1284 HydrophobicContact CB-CG 3.95Å; I416-R1284 HydrophobicContact CD1-CB 4.23Å; I416-R1284 HydrophobicContact CG2-CB 4.09Å; I416-R1284 HydrophobicContact CG2-CG 3.99Å; I416-R1284 PolarHBondContact O-NE 3.29Å; L570-R1284 VanDerWaalsContact C-NH2 3.28Å; L570-R1284 PolarHBondContact O-NH1 3.48Å; L570-R1284 PolarHBondContact O-NH2 2.86Å; G571-R1284 PolarHBondContact O-NH1 3.27Å; S1281-R1284 WeakPolarHBondContact O-CB 3.35Å; S1281-R1284 PolarHBondContact O-N 3.4Å; F1282-R1284 PolarHBondContact O-N 3.26Å; R1284-A1286 PolarHBondContact O-N 3.02Å |
| 1285 | L | 84.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -96.3 | 73.6 | -176.2 | -60.1 | 174.6 | 0 | 0 | 0 | 109.3 | I416 L756 F759 V762 S1281 F1282 G1287 A1288 R1432 | I416-L1285 HydrophobicContact CD1-CD1 4.29Å; I416-L1285 HydrophobicContact CD1-CD2 3.96Å; I416-L1285 HydrophobicContact CD1-CG 4.06Å; L756-L1285 HydrophobicContact CD2-CD2 3.78Å; F759-L1285 HydrophobicContact CD2-CD1 3.89Å; F759-L1285 HydrophobicContact CE1-CD1 4.12Å; F759-L1285 HydrophobicContact CE2-CD1 3.44Å; F759-L1285 VanDerWaalsContact CE2-CD1 3.44Å; F759-L1285 HydrophobicContact CG-CD1 4.4Å; F759-L1285 HydrophobicContact CZ-CD1 3.57Å; V762-L1285 HydrophobicContact CG1-CB 4.36Å; V762-L1285 HydrophobicContact CG1-CD2 4.18Å; V762-L1285 HydrophobicContact CG2-CB 3.92Å; S1281-L1285 PolarHBondContact O-N 2.53Å; F1282-L1285 PolarHBondContact O-N 3.43Å; L1285-G1287 PolarHBondContact O-N 2.98Å; L1285-A1288 HydrophobicContact CB-CB 3.86Å; L1285-A1288 WeakPolarHBondContact O-CB 3.25Å; L1285-A1288 PolarHBondContact O-N 3.47Å; L1285-R1432 PolarHBondContact O-NH1 3.44Å |
| 1286 | A | 76.5 | Confident | 85.5 | Confident | 54 Ų | 54 | 27.2 Ų | 27.2 | 45% | 0.446 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 126.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V762 R1284 | V762-A1286 WeakPolarHBondContact CA-O 3.24Å; R1284-A1286 PolarHBondContact O-N 3.02Å |
| 1287 | G | 76.7 | Confident | 85.1 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 17% | 0.165 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -15.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R761 L1285 D1289 Y1428 | R761-G1287 WeakPolarHBondContact CB-O 3.33Å; L1285-G1287 PolarHBondContact O-N 2.98Å; G1287-D1289 PolarHBondContact O-N 2.66Å; G1287-Y1428 PolarHBondContact O-OH 3.31Å |
| 1288 | A | 83.7 | Confident | 84.9 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | trans | -61.9 | 136 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F759 V762 F1282 L1285 R1432 | F759-A1288 HydrophobicContact CD1-CB 3.92Å; F759-A1288 HydrophobicContact CG-CB 4.43Å; V762-A1288 HydrophobicContact CG2-CB 3.69Å; F1282-A1288 HydrophobicContact CD1-CB 4.04Å; L1285-A1288 HydrophobicContact CB-CB 3.86Å; L1285-A1288 WeakPolarHBondContact O-CB 3.25Å; L1285-A1288 PolarHBondContact O-N 3.47Å; A1288-R1432 PolarHBondContact O-NH1 3.45Å; A1288-R1432 VanDerWaalsContact O-NH1 3.12Å | ||
| 1289 | D | 80.2 | Confident | 84.7 | Confident | 50 Ų | 50 | 28.1 Ų | 28.1 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | trans | -83 | 144.7 | 168.4 | -161.2 | -5.7 | 0 | 0 | 0 | 109.5 | G1287 Q1291 Y1428 R1431 | G1287-D1289 PolarHBondContact O-N 2.66Å; D1289-Q1291 PolarHBondContact O-N 2.91Å; D1289-Y1428 HydrophobicContact CB-CD2 4.1Å; D1289-Y1428 HydrophobicContact CB-CE2 4.17Å; D1289-R1431 IonicContact OD1-CZ 3.63Å; D1289-R1431 IonicContact OD1-NE 3.96Å; D1289-R1431 PolarHBondContact OD1-NE 3.48Å; D1289-R1431 IonicContact OD1-NH2 3.49Å; D1289-R1431 PolarHBondContact OD1-NH2 2.99Å; D1289-R1431 IonicContact OD2-NH2 3.98Å; D1289-R1431 PolarHBondContact OD2-NH2 3.43Å | ||
| 1290 | V | 81.7 | Confident | 84.6 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 9% | 0.085 | 16% | 0.162 | C | C | . | . | trans | -91 | 21.7 | -176 | -166.6 | 0 | 0 | 0 | 0 | 110.8 | F1282 R1431 V1435 L1441 T1443 | F1282-V1290 HydrophobicContact CB-CG2 4.45Å; F1282-V1290 HydrophobicContact CD2-CB 4.39Å; F1282-V1290 HydrophobicContact CD2-CG1 3.72Å; F1282-V1290 HydrophobicContact CD2-CG2 4.34Å; F1282-V1290 HydrophobicContact CE2-CB 4.48Å; F1282-V1290 HydrophobicContact CE2-CG1 3.76Å; F1282-V1290 HydrophobicContact CG-CG1 4.48Å; F1282-V1290 HydrophobicContact CG-CG2 4.32Å; V1290-R1431 HydrophobicContact CG2-CB 4.38Å; V1290-V1435 HydrophobicContact CG2-CG2 3.6Å; V1290-L1441 HydrophobicContact CB-CD2 4.08Å; V1290-L1441 HydrophobicContact CG1-CD2 3.85Å; V1290-L1441 HydrophobicContact CG2-CD2 4.12Å; V1290-T1443 HydrophobicContact CG1-CG2 4.38Å; V1290-T1443 PolarHBondContact O-OG1 2.85Å | ||
| 1291 | Q | 79 | Confident | 84.6 | Confident | 85 Ų | 85 | 24.9 Ų | 24.9 | 40% | 0.397 | 15% | 0.152 | S | C | . | . | trans | -89.7 | 130.1 | 176.7 | -70.3 | -172.1 | 8.9 | 0 | 0 | 109.6 | D1289 P1411 | D1289-Q1291 PolarHBondContact O-N 2.91Å; Q1291-P1411 HydrophobicContact CG-CG 4.14Å | ||
| 1292 | L | 85.8 | Confident | 84.9 | Confident | 48 Ų | 48 | 24.8 Ų | 24.8 | 25% | 0.251 | 15% | 0.151 | S | C | . | . | trans | -85 | 155.8 | 175.7 | -52.3 | -178.5 | 0 | 0 | 0 | 110.5 | V1174 D1178 F1280 F1282 | V1174-L1292 HydrophobicContact CG1-CB 4.06Å; V1174-L1292 HydrophobicContact CG1-CD1 3.97Å; V1174-L1292 HydrophobicContact CG2-CB 4.06Å; D1178-L1292 HydrophobicContact CB-CD1 4.22Å; D1178-L1292 HydrophobicContact CB-CD2 4.17Å; F1280-L1292 HydrophobicContact CE1-CD2 3.62Å; F1280-L1292 HydrophobicContact CE2-CD2 4.37Å; F1280-L1292 HydrophobicContact CZ-CD1 4.12Å; F1280-L1292 HydrophobicContact CZ-CD2 3.51Å; F1280-L1292 HydrophobicContact CZ-CG 4.46Å; F1282-L1292 HydrophobicContact CZ-CD2 4.45Å | ||
| 1293 | G | 84 | Confident | 85.4 | Confident | 26 Ų | 26 | 24.1 Ų | 24.1 | 27% | 0.268 | 15% | 0.148 | S | C | . | . | trans | -159.9 | -159.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1173 V1174 H1175 E1295 | G1173-G1293 CarbonylContact O-C 3.58Å; G1173-G1293 WeakPolarHBondContact O-CA 3.5Å; V1174-G1293 WeakPolarHBondContact CA-O 3.33Å; H1175-G1293 PolarHBondContact N-O 2.96Å; G1293-E1295 VanDerWaalsContact C-N 3.33Å | ||
| 1294 | V | 81.7 | Confident | 86.2 | Confident | 21 Ų | 21 | 21.8 Ų | 21.8 | 13% | 0.127 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -74.8 | -22.6 | -179.2 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | L1100 M1112 V1114 F1142 G1173 H1175 | L1100-V1294 HydrophobicContact CD1-CG1 4.04Å; L1100-V1294 HydrophobicContact CD1-CG2 4.28Å; M1112-V1294 HydrophobicContact CB-CB 4.31Å; M1112-V1294 HydrophobicContact CB-CG2 3.64Å; M1112-V1294 HydrophobicContact CE-CB 4.28Å; V1114-V1294 HydrophobicContact CG2-CG1 4.17Å; V1114-V1294 HydrophobicContact CG2-CG2 4.49Å; F1142-V1294 HydrophobicContact CE2-CG1 4.24Å; G1173-V1294 PolarHBondContact O-N 3.31Å; H1175-V1294 PolarHBondContact CD2-O 3.2Å |
| 1295 | E | 81 | Confident | 86.9 | Confident | 69 Ų | 69 | 20.7 Ų | 20.7 | 32% | 0.322 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -91.1 | 130.7 | 170.5 | -173.4 | 171.3 | -160.1 | 0 | 0 | 109.1 | K758 G1293 | K758-E1295 WeakPolarHBondContact CG-OE1 3.41Å; G1293-E1295 VanDerWaalsContact C-N 3.33Å |
| 1296 | M | 86.4 | Confident | 87.4 | Confident | 7 Ų | 7 | 20.5 Ų | 20.5 | 3% | 0.034 | 13% | 0.126 | C | C | . | . | trans | -71 | 140.1 | -175.9 | -173.9 | -179.9 | 141.3 | 0 | 0 | 112.2 | I959 G960 H1175 D1178 R1235 S1298 | I959-M1296 HydrophobicContact CG2-CB 4.19Å; I959-M1296 HydrophobicContact CG2-CE 3.97Å; I959-M1296 HydrophobicContact CG2-CG 3.99Å; I959-M1296 WeakPolarHBondContact CG2-O 3.45Å; I959-M1296 HydrophobicContact CG2-SD 4.47Å; G960-M1296 VanDerWaalsContact CA-SD 3.5Å; H1175-M1296 HydrophobicContact CB-CB 4.31Å; D1178-M1296 VanDerWaalsContact OD1-CG 3.28Å; D1178-M1296 WeakPolarHBondContact OD1-CG 3.39Å; D1178-M1296 WeakPolarHBondContact OD2-CA 3.47Å; R1235-M1296 PolarHBondContact NH1-SD 3.02Å; M1296-S1298 WeakPolarHBondContact CE-O 3.38Å; M1296-S1298 WeakPolarHBondContact CE-OG 3.45Å | ||
| 1297 | A | 89.5 | Confident | 88.1 | Confident | 12 Ų | 12 | 21.5 Ų | 21.5 | 10% | 0.099 | 13% | 0.125 | C | C | . | . | trans | -122.1 | -15.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F759 D1178 F1280 F1282 | F759-A1297 HydrophobicContact CE1-CB 4.1Å; F759-A1297 HydrophobicContact CZ-CB 4.35Å; D1178-A1297 PolarHBondContact OD1-N 3.37Å; D1178-A1297 PolarHBondContact OD2-N 3.03Å; F1280-A1297 HydrophobicContact CD1-CB 4.44Å; F1280-A1297 HydrophobicContact CE1-CB 4.38Å; F1282-A1297 HydrophobicContact CE1-CB 4.16Å; F1282-A1297 HydrophobicContact CZ-CB 4.02Å | ||
| 1298 | S | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -69.5 | 142.4 | -178.6 | 88.5 | 0 | 0 | 0 | 0 | 112 | G1177 D1178 Q1279 M1296 G1300 | G1177-S1298 PolarHBondContact O-OG 3.03Å; D1178-S1298 WeakPolarHBondContact OD1-CB 3.41Å; D1178-S1298 PolarHBondContact OD1-N 3.1Å; D1178-S1298 PolarHBondContact OD1-OG 3.16Å; Q1279-S1298 CarbonylContact O-C 3.56Å; Q1279-S1298 WeakPolarHBondContact O-CA 3.49Å; Q1279-S1298 WeakPolarHBondContact O-CB 3.49Å; M1296-S1298 WeakPolarHBondContact CE-O 3.38Å; M1296-S1298 WeakPolarHBondContact CE-OG 3.45Å; S1298-G1300 PolarHBondContact OG-O 2.62Å | ||
| 1299 | T | 90.3 | Very high | 89.4 | Confident | 19 Ų | 19 | 25.6 Ų | 25.6 | 12% | 0.117 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -94.7 | -16.7 | 176.4 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | L414 I416 V773 I959 Q1279 S1281 | L414-T1299 CarbonylContact O-C 3.45Å; L414-T1299 PolarHBondContact O-OG1 2.96Å; I416-T1299 HydrophobicContact CG1-CG2 4.31Å; V773-T1299 HydrophobicContact CG1-CG2 4.36Å; I959-T1299 HydrophobicContact CG1-CG2 4.4Å; Q1279-T1299 PolarHBondContact O-N 3.01Å; Q1279-T1299 PolarHBondContact O-OG1 3.06Å; S1281-T1299 PolarHBondContact OG-OG1 2.89Å |
| 1300 | G | 91.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 25 Ų | 25 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | -161.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L414 Q1279 S1298 | L414-G1300 PolarHBondContact O-N 3.14Å; Q1279-G1300 PolarHBondContact N-O 3.02Å; Q1279-G1300 PolarHBondContact O-N 3.1Å; S1298-G1300 PolarHBondContact OG-O 2.62Å |
| 1301 | E | 93.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 157.4 | 179.6 | 53.1 | -173.1 | -128 | 0 | 0 | 111.5 | A448 R1235 K1276 V1277 | A448-E1301 HydrophobicContact CB-CG 4.21Å; R1235-E1301 IonicContact CZ-OE2 3.4Å; R1235-E1301 IonicContact NH2-OE2 3.24Å; R1235-E1301 PolarHBondContact NH2-OE2 2.88Å; K1276-E1301 WeakPolarHBondContact CE-OE2 3.4Å; K1276-E1301 HydrophobicContact CG-CB 4.12Å; K1276-E1301 IonicContact NZ-OE2 2.97Å; V1277-E1301 WeakPolarHBondContact O-CA 3.23Å |
| 1302 | V | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 154 | 171.9 | -64.7 | 0 | 0 | 0 | 0 | 109 | G413 P445 K1276 V1277 A1316 T1320 | G413-V1302 VanDerWaalsContact CA-CG1 3.45Å; P445-V1302 HydrophobicContact CB-CB 4.26Å; P445-V1302 HydrophobicContact CB-CG1 4.41Å; P445-V1302 HydrophobicContact CG-CG1 4.33Å; P445-V1302 CarbonylContact O-C 3.53Å; P445-V1302 VanDerWaalsContact O-CA 3.27Å; P445-V1302 WeakPolarHBondContact O-CA 3.5Å; K1276-V1302 CarbonylContact C-O 3.46Å; K1276-V1302 VanDerWaalsContact CA-O 3.3Å; K1276-V1302 WeakPolarHBondContact CA-O 3.49Å; V1277-V1302 HydrophobicContact CB-CG2 4.19Å; V1277-V1302 PolarHBondContact N-O 3.04Å; V1277-V1302 PolarHBondContact O-N 3.41Å; V1302-A1316 WeakPolarHBondContact CG2-O 3.28Å; V1302-T1320 HydrophobicContact CG2-CG2 3.49Å; V1302-T1320 VanDerWaalsContact CG2-CG2 3.49Å |
| 1303 | A | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 149.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P445 I447 F1239 V1275 K1276 | P445-A1303 PolarHBondContact O-N 3.21Å; I447-A1303 HydrophobicContact CB-CB 3.8Å; I447-A1303 HydrophobicContact CD1-CB 3.82Å; I447-A1303 HydrophobicContact CG1-CB 4.38Å; I447-A1303 HydrophobicContact CG2-CB 3.45Å; I447-A1303 VanDerWaalsContact CG2-CB 3.45Å; F1239-A1303 HydrophobicContact CD2-CB 3.75Å; F1239-A1303 HydrophobicContact CE2-CB 3.88Å; V1275-A1303 VanDerWaalsContact O-CA 3.23Å; V1275-A1303 WeakPolarHBondContact O-CA 3.28Å; V1275-A1303 WeakPolarHBondContact O-CB 3.42Å; K1276-A1303 HydrophobicContact CB-CB 4.13Å |
| 1304 | C | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 158.3 | 173.7 | -67.2 | 0 | 0 | 0 | 0 | 109.8 | F462 V1275 K1315 A1316 S1319 | F462-C1304 PolarHBondContact O-SG 3.16Å; V1275-C1304 PolarHBondContact N-O 3.33Å; V1275-C1304 PolarHBondContact O-N 3.21Å; C1304-K1315 HydrophobicContact CB-CB 3.46Å; C1304-K1315 VanDerWaalsContact CB-CB 3.46Å; C1304-K1315 VanDerWaalsContact SG-C 3.53Å; C1304-A1316 HydrophobicContact CB-CB 4.11Å; C1304-S1319 PolarHBondContact SG-OG 2.91Å; C1304-S1319 VanDerWaalsContact SG-OG 3.36Å |
| 1305 | F | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 158.7 | 176.9 | -55.5 | -40.2 | 0 | 0 | 0 | 111.2 | I447 F462 T1243 K1272 V1273 T1468 D1469 M1471 | I447-F1305 HydrophobicContact CD1-CE1 3.88Å; I447-F1305 HydrophobicContact CD1-CZ 3.79Å; F462-F1305 HydrophobicContact CB-CD2 4.26Å; F462-F1305 HydrophobicContact CB-CE2 4.24Å; F462-F1305 AromaticContact CD2-CD2 3.96Å; F462-F1305 HydrophobicContact CD2-CD2 3.96Å; F462-F1305 AromaticContact CD2-CE2 3.28Å; F462-F1305 HydrophobicContact CD2-CE2 3.28Å; F462-F1305 AromaticContact CD2-CZ 3.92Å; F462-F1305 HydrophobicContact CD2-CZ 3.92Å; F462-F1305 AromaticContact CE2-CE2 3.74Å; F462-F1305 HydrophobicContact CE2-CE2 3.74Å; F462-F1305 HydrophobicContact CE2-CZ 4.16Å; F462-F1305 HydrophobicContact CG-CD2 4.35Å; F462-F1305 AromaticContact CG-CE2 3.84Å; F462-F1305 HydrophobicContact CG-CE2 3.84Å; F462-F1305 HydrophobicContact CG-CZ 4.2Å; T1243-F1305 HydrophobicContact CG2-CE1 4.39Å; K1272-F1305 HydrophobicContact CD-CD2 4.3Å; K1272-F1305 HydrophobicContact CD-CG 4.23Å; V1273-F1305 CarbonylContact O-C 3.59Å; V1273-F1305 WeakPolarHBondContact O-CA 3.02Å; F1305-T1468 HydrophobicContact CB-CG2 4.08Å; F1305-T1468 WeakPolarHBondContact CB-O 3.02Å; F1305-T1468 WeakPolarHBondContact CD2-O 3.38Å; F1305-D1469 VanDerWaalsContact O-OD1 3.13Å; F1305-M1471 HydrophobicContact CE2-CG 3.98Å; F1305-M1471 HydrophobicContact CE2-SD 4.09Å; F1305-M1471 HydrophobicContact CZ-SD 4.15Å |
| 1306 | G | 94 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 165.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1273 N1308 T1468 | V1273-G1306 PolarHBondContact N-O 2.96Å; V1273-G1306 PolarHBondContact O-N 3.37Å; G1306-N1308 PolarHBondContact O-N 3.36Å; G1306-T1468 VanDerWaalsContact C-CG2 3.45Å |
| 1307 | D | 90.6 | Very high | 94.5 | Very high | 76 Ų | 76 | 13.5 Ų | 13.5 | 41% | 0.406 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -71.4 | -17.8 | 177.7 | -59.4 | -9.7 | 0 | 0 | 0 | 111 | E1311 K1465 T1468 | D1307-E1311 PolarHBondContact N-OE2 3.41Å; D1307-K1465 IonicContact OD1-NZ 2.81Å; D1307-K1465 IonicContact OD2-NZ 3.82Å; D1307-K1465 PolarHBondContact OD2-NZ 3.35Å; D1307-T1468 PolarHBondContact OD1-OG1 3.01Å |
| 1308 | N | 92.1 | Very high | 94.8 | Very high | 59 Ų | 59 | 13.6 Ų | 13.6 | 32% | 0.316 | 7% | 0.067 | S | C | . | . | S | Bend | trans | -148.4 | 170.4 | 172.4 | 59.3 | 61.6 | 0 | 0 | 0 | 110 | G1306 Y1310 E1311 A1312 | G1306-N1308 PolarHBondContact O-N 3.36Å; N1308-Y1310 HydrophobicContact CB-CD2 4.48Å; N1308-Y1310 PolarHBondContact O-N 3.13Å; N1308-Y1310 VanDerWaalsContact O-N 3.16Å; N1308-Y1310 WeakPolarHBondContact OD1-CA 3.26Å; N1308-Y1310 VanDerWaalsContact OD1-CB 3.29Å; N1308-Y1310 WeakPolarHBondContact OD1-CB 3.37Å; N1308-Y1310 WeakPolarHBondContact OD1-CD2 3.38Å; N1308-Y1310 PolarHBondContact OD1-N 3.28Å; N1308-E1311 PolarHBondContact O-N 3.21Å; N1308-E1311 PolarHBondContact OD1-N 3.08Å; N1308-E1311 VanDerWaalsContact OD1-N 3.15Å; N1308-A1312 PolarHBondContact O-N 3.43Å |
| 1309 | R | 94.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 14.3 Ų | 14.3 | 17% | 0.17 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.9 | -27.7 | -179.8 | 68.1 | 176.9 | -176.7 | -176.5 | 0 | 114.3 | V1182 Q1186 D1187 V1273 V1275 Y1313 L1450 | V1182-R1309 HydrophobicContact CG1-CB 3.89Å; Q1186-R1309 HydrophobicContact CG-CB 4.21Å; D1187-R1309 VanDerWaalsContact CB-NH1 3.31Å; V1273-R1309 HydrophobicContact CG1-CB 4.2Å; V1275-R1309 HydrophobicContact CG2-CB 4.42Å; R1309-Y1313 WeakPolarHBondContact O-CB 3.31Å; R1309-Y1313 PolarHBondContact O-N 2.93Å; R1309-L1450 HydrophobicContact CG-CD1 4.43Å |
| 1310 | Y | 95.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 15.1 Ų | 15.1 | 15% | 0.153 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.7 | -43.7 | -173.5 | -53.2 | -66.5 | 0 | 0 | 0 | 112 | N1308 L1314 L1450 E1453 S1454 | N1308-Y1310 HydrophobicContact CB-CD2 4.48Å; N1308-Y1310 PolarHBondContact O-N 3.13Å; N1308-Y1310 VanDerWaalsContact O-N 3.16Å; N1308-Y1310 WeakPolarHBondContact OD1-CA 3.26Å; N1308-Y1310 VanDerWaalsContact OD1-CB 3.29Å; N1308-Y1310 WeakPolarHBondContact OD1-CB 3.37Å; N1308-Y1310 WeakPolarHBondContact OD1-CD2 3.38Å; N1308-Y1310 PolarHBondContact OD1-N 3.28Å; Y1310-L1314 PolarHBondContact O-N 2.99Å; Y1310-L1450 HydrophobicContact CD1-CD1 3.69Å; Y1310-L1450 HydrophobicContact CE1-CD1 3.82Å; Y1310-E1453 HydrophobicContact CD1-CB 4.43Å; Y1310-E1453 HydrophobicContact CD1-CG 3.99Å; Y1310-E1453 HydrophobicContact CE1-CB 4.34Å; Y1310-E1453 VanDerWaalsContact CE1-CD 3.42Å; Y1310-E1453 HydrophobicContact CE1-CG 3.69Å; Y1310-E1453 WeakPolarHBondContact CE1-OE2 3.27Å; Y1310-S1454 VanDerWaalsContact CA-OG 3.22Å; Y1310-S1454 WeakPolarHBondContact CA-OG 3.3Å; Y1310-S1454 WeakPolarHBondContact O-CB 3.49Å; Y1310-S1454 PolarHBondContact O-OG 3.42Å |
| 1311 | E | 95.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -49.4 | 173.4 | 177.4 | 176.8 | -171.1 | 0 | 0 | 111.1 | D1307 N1308 Y1313 L1314 K1315 P1462 K1465 | D1307-E1311 PolarHBondContact N-OE2 3.41Å; N1308-E1311 PolarHBondContact O-N 3.21Å; N1308-E1311 PolarHBondContact OD1-N 3.08Å; N1308-E1311 VanDerWaalsContact OD1-N 3.15Å; E1311-Y1313 PolarHBondContact O-N 3.19Å; E1311-L1314 PolarHBondContact O-N 3.27Å; E1311-K1315 HydrophobicContact CG-CD 4.33Å; E1311-K1315 PolarHBondContact O-N 3.5Å; E1311-K1315 VanDerWaalsContact O-N 3.13Å; E1311-K1315 WeakPolarHBondContact OE1-CE 3.34Å; E1311-K1315 IonicContact OE1-NZ 3.75Å; E1311-K1315 PolarHBondContact OE1-NZ 2.96Å; E1311-P1462 HydrophobicContact CG-CB 4Å; E1311-K1465 VanDerWaalsContact CD-NZ 3.33Å; E1311-K1465 VanDerWaalsContact OE1-CE 3.32Å; E1311-K1465 WeakPolarHBondContact OE1-CE 3.48Å; E1311-K1465 IonicContact OE1-NZ 3.86Å; E1311-K1465 PolarHBondContact OE1-NZ 3.06Å; E1311-K1465 IonicContact OE2-NZ 2.68Å; E1311-K1465 PolarHBondContact OE2-NZ 3.41Å |
| 1312 | A | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1275 N1308 L1314 K1315 A1316 | V1275-A1312 HydrophobicContact CB-CB 3.91Å; V1275-A1312 HydrophobicContact CG2-CB 3.49Å; V1275-A1312 VanDerWaalsContact CG2-CB 3.49Å; N1308-A1312 PolarHBondContact O-N 3.43Å; A1312-L1314 PolarHBondContact O-N 2.93Å; A1312-K1315 PolarHBondContact O-N 2.94Å; A1312-A1316 WeakPolarHBondContact O-CB 3.4Å; A1312-A1316 PolarHBondContact O-N 3.21Å |
| 1313 | Y | 97.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 178.4 | 177.9 | -108.3 | 0 | 0 | 0 | 112.4 | T1180 V1275 V1277 R1309 E1311 A1316 M1317 L1450 L1451 | T1180-Y1313 HydrophobicContact CG2-CD2 3.85Å; T1180-Y1313 HydrophobicContact CG2-CE2 3.82Å; V1275-Y1313 HydrophobicContact CG1-CD2 3.9Å; V1275-Y1313 HydrophobicContact CG1-CG 4.5Å; V1277-Y1313 HydrophobicContact CG2-CD2 4.26Å; V1277-Y1313 HydrophobicContact CG2-CE2 4.32Å; R1309-Y1313 WeakPolarHBondContact O-CB 3.31Å; R1309-Y1313 PolarHBondContact O-N 2.93Å; E1311-Y1313 PolarHBondContact O-N 3.19Å; Y1313-A1316 PolarHBondContact O-N 2.94Å; Y1313-M1317 HydrophobicContact CD1-CG 4.21Å; Y1313-M1317 HydrophobicContact CD2-CG 4.11Å; Y1313-M1317 HydrophobicContact CE1-CG 3.78Å; Y1313-M1317 HydrophobicContact CE2-CG 3.68Å; Y1313-M1317 HydrophobicContact CE2-SD 3.95Å; Y1313-M1317 HydrophobicContact CG-CG 4.38Å; Y1313-M1317 WeakPolarHBondContact O-CB 3.27Å; Y1313-M1317 WeakPolarHBondContact O-CG 3.12Å; Y1313-M1317 PolarHBondContact O-N 2.91Å; Y1313-L1450 HydrophobicContact CD1-CB 4.47Å; Y1313-L1450 HydrophobicContact CD1-CD2 3.87Å; Y1313-L1450 HydrophobicContact CD1-CG 3.66Å; Y1313-L1450 HydrophobicContact CD2-CD2 3.62Å; Y1313-L1450 HydrophobicContact CD2-CG 4.35Å; Y1313-L1450 HydrophobicContact CE1-CB 4.3Å; Y1313-L1450 HydrophobicContact CE1-CD2 4.18Å; Y1313-L1450 HydrophobicContact CE1-CG 3.96Å; Y1313-L1450 HydrophobicContact CE2-CD2 3.96Å; Y1313-L1450 HydrophobicContact CG-CD2 3.56Å; Y1313-L1450 HydrophobicContact CG-CG 3.86Å; Y1313-L1451 HydrophobicContact CE1-CB 3.92Å; Y1313-L1451 HydrophobicContact CE1-CD1 4.27Å |
| 1314 | L | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | -178.5 | -169.4 | 56.4 | 0 | 0 | 0 | 111.6 | Y1310 E1311 A1312 M1318 I1324 L1451 M1455 N1458 P1462 | Y1310-L1314 PolarHBondContact O-N 2.99Å; E1311-L1314 PolarHBondContact O-N 3.27Å; A1312-L1314 PolarHBondContact O-N 2.93Å; L1314-M1318 VanDerWaalsContact O-CG 3.23Å; L1314-M1318 WeakPolarHBondContact O-CG 3.31Å; L1314-M1318 PolarHBondContact O-N 3.03Å; L1314-M1318 VanDerWaalsContact O-N 3.07Å; L1314-I1324 HydrophobicContact CD1-CD1 4.22Å; L1314-I1324 HydrophobicContact CD1-CG1 4.28Å; L1314-I1324 HydrophobicContact CD2-CD1 4.22Å; L1314-I1324 HydrophobicContact CG-CD1 4.36Å; L1314-L1451 HydrophobicContact CD1-CD1 4.34Å; L1314-M1455 HydrophobicContact CD1-CG 4.41Å; L1314-N1458 HydrophobicContact CD2-CB 4.09Å; L1314-P1462 HydrophobicContact CB-CG 4.17Å; L1314-P1462 HydrophobicContact CD2-CG 3.83Å; L1314-P1462 HydrophobicContact CG-CG 4.18Å |
| 1315 | K | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 172.1 | -69.1 | 176.7 | -173.3 | 172.4 | 0 | 111 | L463 P464 C1304 E1311 A1312 M1317 M1318 S1319 P1462 D1469 | L463-K1315 HydrophobicContact CD2-CD 4.15Å; P464-K1315 WeakPolarHBondContact CG-O 3.39Å; C1304-K1315 HydrophobicContact CB-CB 3.46Å; C1304-K1315 VanDerWaalsContact CB-CB 3.46Å; C1304-K1315 VanDerWaalsContact SG-C 3.53Å; E1311-K1315 HydrophobicContact CG-CD 4.33Å; E1311-K1315 PolarHBondContact O-N 3.5Å; E1311-K1315 VanDerWaalsContact O-N 3.13Å; E1311-K1315 WeakPolarHBondContact OE1-CE 3.34Å; E1311-K1315 IonicContact OE1-NZ 3.75Å; E1311-K1315 PolarHBondContact OE1-NZ 2.96Å; A1312-K1315 PolarHBondContact O-N 2.94Å; K1315-M1317 PolarHBondContact O-N 3.31Å; K1315-M1318 PolarHBondContact O-N 3.32Å; K1315-S1319 PolarHBondContact O-N 3Å; K1315-S1319 PolarHBondContact O-OG 3.05Å; K1315-P1462 HydrophobicContact CG-CB 4.31Å; K1315-P1462 HydrophobicContact CG-CG 4.29Å; K1315-D1469 IonicContact NZ-OD1 2.98Å; K1315-D1469 PolarHBondContact NZ-OD1 3.14Å; K1315-D1469 IonicContact NZ-OD2 2.72Å; K1315-D1469 PolarHBondContact NZ-OD2 2.82Å |
| 1316 | A | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -42.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1275 V1277 V1302 C1304 A1312 Y1313 M1318 S1319 T1320 | V1275-A1316 WeakPolarHBondContact O-CB 3.37Å; V1277-A1316 HydrophobicContact CB-CB 4.22Å; V1277-A1316 HydrophobicContact CG2-CB 3.51Å; V1302-A1316 WeakPolarHBondContact CG2-O 3.28Å; C1304-A1316 HydrophobicContact CB-CB 4.11Å; A1312-A1316 WeakPolarHBondContact O-CB 3.4Å; A1312-A1316 PolarHBondContact O-N 3.21Å; Y1313-A1316 PolarHBondContact O-N 2.94Å; A1316-M1318 PolarHBondContact O-N 3.26Å; A1316-S1319 VanDerWaalsContact O-CB 3.32Å; A1316-S1319 WeakPolarHBondContact O-CB 3.38Å; A1316-S1319 PolarHBondContact O-N 3.29Å; A1316-S1319 VanDerWaalsContact O-N 3.16Å; A1316-T1320 PolarHBondContact O-N 3.45Å |
| 1317 | M | 94.7 | Very high | 92.8 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 173.4 | -77.2 | -66.7 | -67 | 0 | 0 | 111.2 | V1277 Y1313 K1315 S1319 T1320 F1322 | V1277-M1317 HydrophobicContact CG1-SD 3.83Å; V1277-M1317 HydrophobicContact CG2-CG 4.45Å; V1277-M1317 HydrophobicContact CG2-SD 4.37Å; Y1313-M1317 HydrophobicContact CD1-CG 4.21Å; Y1313-M1317 HydrophobicContact CD2-CG 4.11Å; Y1313-M1317 HydrophobicContact CE1-CG 3.78Å; Y1313-M1317 HydrophobicContact CE2-CG 3.68Å; Y1313-M1317 HydrophobicContact CE2-SD 3.95Å; Y1313-M1317 HydrophobicContact CG-CG 4.38Å; Y1313-M1317 WeakPolarHBondContact O-CB 3.27Å; Y1313-M1317 WeakPolarHBondContact O-CG 3.12Å; Y1313-M1317 PolarHBondContact O-N 2.91Å; K1315-M1317 PolarHBondContact O-N 3.31Å; M1317-S1319 PolarHBondContact O-N 3.48Å; M1317-T1320 PolarHBondContact O-N 3.06Å; M1317-T1320 PolarHBondContact O-OG1 3.49Å; M1317-F1322 HydrophobicContact CB-CB 4.2Å; M1317-F1322 HydrophobicContact CB-CD1 4.31Å; M1317-F1322 HydrophobicContact CB-CG 4.31Å; M1317-F1322 HydrophobicContact CE-CB 4.2Å; M1317-F1322 HydrophobicContact CE-CD2 3.57Å; M1317-F1322 HydrophobicContact CE-CE2 4.07Å; M1317-F1322 HydrophobicContact CE-CG 3.87Å; M1317-F1322 WeakPolarHBondContact O-CB 3.25Å; M1317-F1322 PolarHBondContact O-N 2.72Å |
| 1318 | M | 94.5 | Very high | 92.9 | Very high | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.069 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -32.1 | 177.4 | -71.1 | 173.5 | 70 | 0 | 0 | 112.7 | P464 Y469 L1314 K1315 A1316 T1320 G1321 I1324 K1461 | P464-M1318 HydrophobicContact CB-CB 4.13Å; P464-M1318 HydrophobicContact CG-CB 3.69Å; Y469-M1318 HydrophobicContact CE2-CE 3.65Å; Y469-M1318 HydrophobicContact CE2-SD 4.33Å; L1314-M1318 VanDerWaalsContact O-CG 3.23Å; L1314-M1318 WeakPolarHBondContact O-CG 3.31Å; L1314-M1318 PolarHBondContact O-N 3.03Å; L1314-M1318 VanDerWaalsContact O-N 3.07Å; K1315-M1318 PolarHBondContact O-N 3.32Å; A1316-M1318 PolarHBondContact O-N 3.26Å; M1318-T1320 PolarHBondContact O-N 3.4Å; M1318-G1321 PolarHBondContact O-N 3.33Å; M1318-G1321 VanDerWaalsContact O-N 3.16Å; M1318-I1324 HydrophobicContact CG-CG1 4.45Å; M1318-I1324 HydrophobicContact SD-CD1 3.91Å; M1318-I1324 HydrophobicContact SD-CG1 4.31Å; M1318-K1461 HydrophobicContact CE-CB 4.38Å; M1318-K1461 HydrophobicContact CE-CD 3.88Å; M1318-K1461 HydrophobicContact CE-CG 3.78Å; M1318-K1461 HydrophobicContact SD-CG 4.44Å |
| 1319 | S | 94.5 | Very high | 92.9 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -18.3 | 175 | -64.3 | 0 | 0 | 0 | 0 | 113.8 | P445 P464 C1304 K1315 A1316 M1317 G1321 | P445-S1319 WeakPolarHBondContact CB-OG 3.27Å; P464-S1319 WeakPolarHBondContact CA-OG 3.42Å; P464-S1319 WeakPolarHBondContact CG-OG 3.2Å; C1304-S1319 PolarHBondContact SG-OG 2.91Å; C1304-S1319 VanDerWaalsContact SG-OG 3.36Å; K1315-S1319 PolarHBondContact O-N 3Å; K1315-S1319 PolarHBondContact O-OG 3.05Å; A1316-S1319 VanDerWaalsContact O-CB 3.32Å; A1316-S1319 WeakPolarHBondContact O-CB 3.38Å; A1316-S1319 PolarHBondContact O-N 3.29Å; A1316-S1319 VanDerWaalsContact O-N 3.16Å; M1317-S1319 PolarHBondContact O-N 3.48Å; S1319-G1321 VanDerWaalsContact C-N 3.33Å |
| 1320 | T | 91.8 | Very high | 92.9 | Very high | 36 Ų | 36 | 32.2 Ų | 32.2 | 22% | 0.221 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 0.9 | 174.1 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | V1277 Q1279 V1302 A1316 M1317 M1318 | V1277-T1320 HydrophobicContact CB-CG2 4.31Å; V1277-T1320 HydrophobicContact CG1-CG2 3.71Å; Q1279-T1320 VanDerWaalsContact OE1-CA 3.24Å; V1302-T1320 HydrophobicContact CG2-CG2 3.49Å; V1302-T1320 VanDerWaalsContact CG2-CG2 3.49Å; A1316-T1320 PolarHBondContact O-N 3.45Å; M1317-T1320 PolarHBondContact O-N 3.06Å; M1317-T1320 PolarHBondContact O-OG1 3.49Å; M1318-T1320 PolarHBondContact O-N 3.4Å |
| 1321 | G | 86.9 | Confident | 92.9 | Very high | 59 Ų | 59 | 30.3 Ų | 30.3 | 61% | 0.608 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | 2.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1318 S1319 Q1323 | M1318-G1321 PolarHBondContact O-N 3.33Å; M1318-G1321 VanDerWaalsContact O-N 3.16Å; S1319-G1321 VanDerWaalsContact C-N 3.33Å; G1321-Q1323 PolarHBondContact O-N 3.15Å |
| 1322 | F | 90.7 | Very high | 92.7 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 123.6 | 174.6 | -177.9 | -91.1 | 0 | 0 | 0 | 111 | M1317 L1406 P1440 L1451 | M1317-F1322 HydrophobicContact CB-CB 4.2Å; M1317-F1322 HydrophobicContact CB-CD1 4.31Å; M1317-F1322 HydrophobicContact CB-CG 4.31Å; M1317-F1322 HydrophobicContact CE-CB 4.2Å; M1317-F1322 HydrophobicContact CE-CD2 3.57Å; M1317-F1322 HydrophobicContact CE-CE2 4.07Å; M1317-F1322 HydrophobicContact CE-CG 3.87Å; M1317-F1322 WeakPolarHBondContact O-CB 3.25Å; M1317-F1322 PolarHBondContact O-N 2.72Å; F1322-L1406 HydrophobicContact CE2-CD1 3.97Å; F1322-L1406 HydrophobicContact CZ-CD1 4.25Å; F1322-P1440 HydrophobicContact CD2-CB 3.87Å; F1322-P1440 HydrophobicContact CE2-CB 3.7Å; F1322-P1440 HydrophobicContact CZ-CB 4.45Å; F1322-L1451 HydrophobicContact CE1-CD1 3.89Å; F1322-L1451 HydrophobicContact CE2-CD2 4.06Å; F1322-L1451 HydrophobicContact CZ-CD1 3.8Å; F1322-L1451 HydrophobicContact CZ-CD2 3.68Å; F1322-L1451 HydrophobicContact CZ-CG 4.36Å |
| 1323 | Q | 88.2 | Confident | 92.4 | Very high | 141 Ų | 141 | 30.9 Ų | 30.9 | 66% | 0.659 | 17% | 0.169 | S | C | * | . | P | Polyproline II helix | trans | -96.6 | 128.2 | 174 | -60.3 | -171.2 | 15.3 | 0 | 0 | 109.7 | G1321 P1440 | G1321-Q1323 PolarHBondContact O-N 3.15Å; Q1323-P1440 HydrophobicContact CB-CG 4.18Å |
| 1324 | I | 89.5 | Confident | 91.5 | Very high | 34 Ų | 34 | 32 Ų | 32 | 17% | 0.174 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 124.8 | 173.7 | -57.8 | 179.5 | 0 | 0 | 0 | 108 | L1314 M1318 M1455 K1461 | L1314-I1324 HydrophobicContact CD1-CD1 4.22Å; L1314-I1324 HydrophobicContact CD1-CG1 4.28Å; L1314-I1324 HydrophobicContact CD2-CD1 4.22Å; L1314-I1324 HydrophobicContact CG-CD1 4.36Å; M1318-I1324 HydrophobicContact CG-CG1 4.45Å; M1318-I1324 HydrophobicContact SD-CD1 3.91Å; M1318-I1324 HydrophobicContact SD-CG1 4.31Å; I1324-M1455 HydrophobicContact CG2-CE 4.39Å; I1324-K1461 HydrophobicContact CD1-CG 3.95Å |
| 1325 | P | 91.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 154 | -178.5 | 27.4 | -36.3 | 0 | 0 | 0 | 111.3 | Y1354 D1405 L1406 M1455 | P1325-Y1354 HydrophobicContact CB-CE1 4.09Å; P1325-Y1354 HydrophobicContact CG-CE1 4.07Å; P1325-Y1354 WeakPolarHBondContact O-CE1 3.21Å; P1325-Y1354 PolarHBondContact O-OH 2.95Å; P1325-D1405 HydrophobicContact CB-CB 3.69Å; P1325-L1406 HydrophobicContact CB-CB 3.91Å; P1325-L1406 HydrophobicContact CG-CB 4.13Å; P1325-L1406 HydrophobicContact CG-CD2 4.13Å; P1325-M1455 HydrophobicContact CG-CE 3.53Å; P1325-M1455 HydrophobicContact CG-SD 4.35Å |
| 1326 | K | 87.3 | Confident | 90.3 | Very high | 170 Ų | 170 | 40 Ų | 40 | 74% | 0.739 | 22% | 0.221 | S | C | * | . | trans | -115.1 | -40.6 | -178.6 | -65.8 | -179.4 | -176 | 173 | 0 | 113.2 | D1405 | K1326-D1405 PolarHBondContact N-OD2 3.23Š| ||
| 1327 | N | 87.6 | Confident | 89.8 | Confident | 109 Ų | 109 | 44.9 Ų | 44.9 | 58% | 0.583 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -127.4 | -62.7 | -168.5 | -54 | -58.1 | 0 | 0 | 0 | 112.8 | Y1354 K1355 D1405 | N1327-Y1354 WeakPolarHBondContact O-CA 2.99Å; N1327-K1355 PolarHBondContact O-N 3.05Å; N1327-D1405 WeakPolarHBondContact CA-OD2 3.25Å; N1327-D1405 WeakPolarHBondContact CB-OD2 3.4Å; N1327-D1405 PolarHBondContact N-OD2 2.93Å |
| 1328 | A | 92.6 | Very high | 89.6 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1355 Y1357 Q1403 F1404 D1405 L1406 | A1328-K1355 WeakPolarHBondContact CA-O 3.36Å; A1328-Y1357 HydrophobicContact CB-CD2 4.28Å; A1328-Y1357 HydrophobicContact CB-CE2 3.9Å; A1328-Q1403 WeakPolarHBondContact CB-O 3.37Å; A1328-F1404 HydrophobicContact CB-CD1 4.39Å; A1328-D1405 PolarHBondContact N-OD2 3.49Å; A1328-D1405 VanDerWaalsContact N-OD2 3.13Å; A1328-D1405 PolarHBondContact O-N 2.88Å; A1328-L1406 PolarHBondContact O-N 2.63Å |
| 1329 | V | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.7 | -179.6 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | L1331 Y1354 K1355 L1356 Y1357 L1406 I1408 | V1329-L1331 HydrophobicContact CG1-CD2 3.97Å; V1329-Y1354 HydrophobicContact CG2-CD1 4.26Å; V1329-Y1354 HydrophobicContact CG2-CG 4.17Å; V1329-K1355 PolarHBondContact N-O 3.04Å; V1329-L1356 HydrophobicContact CB-CD2 3.98Å; V1329-L1356 HydrophobicContact CG2-CD2 4.48Å; V1329-Y1357 PolarHBondContact O-N 3.35Å; V1329-L1406 CarbonylContact C-O 3.45Å; V1329-L1406 WeakPolarHBondContact CA-O 3.3Å; V1329-L1406 HydrophobicContact CG1-CB 4.2Å; V1329-L1406 HydrophobicContact CG1-CD2 4.03Å; V1329-L1406 HydrophobicContact CG1-CG 4.11Å; V1329-L1406 HydrophobicContact CG2-CB 4.2Å; V1329-L1406 HydrophobicContact CG2-CD2 4.37Å; V1329-I1408 HydrophobicContact CG1-CD1 4.14Å |
| 1330 | L | 94.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 128.8 | 174.1 | 174.6 | 68.7 | 0 | 0 | 0 | 111.3 | Y1357 V1376 L1395 F1404 L1406 V1407 I1408 T1430 | L1330-Y1357 CarbonylContact C-O 3.16Å; L1330-Y1357 WeakPolarHBondContact CA-O 3.43Å; L1330-V1376 HydrophobicContact CD1-CG2 3.75Å; L1330-L1395 HydrophobicContact CD1-CD1 3.78Å; L1330-L1395 HydrophobicContact CD2-CD1 3.7Å; L1330-L1395 HydrophobicContact CG-CD1 4.4Å; L1330-F1404 HydrophobicContact CB-CD1 4.05Å; L1330-F1404 HydrophobicContact CB-CD2 3.97Å; L1330-F1404 HydrophobicContact CB-CE1 4.22Å; L1330-F1404 HydrophobicContact CB-CE2 4.11Å; L1330-F1404 HydrophobicContact CB-CG 3.93Å; L1330-F1404 HydrophobicContact CB-CZ 4.25Å; L1330-F1404 HydrophobicContact CD1-CE2 4.21Å; L1330-F1404 HydrophobicContact CD1-CZ 4.04Å; L1330-F1404 HydrophobicContact CD2-CD2 3.99Å; L1330-F1404 HydrophobicContact CD2-CE2 3.81Å; L1330-F1404 HydrophobicContact CD2-CZ 4.47Å; L1330-F1404 HydrophobicContact CG-CD2 4.48Å; L1330-F1404 HydrophobicContact CG-CE2 4.26Å; L1330-F1404 HydrophobicContact CG-CZ 4.47Å; L1330-L1406 PolarHBondContact N-O 3.45Å; L1330-V1407 HydrophobicContact CB-CG2 4.25Å; L1330-V1407 HydrophobicContact CD2-CG1 4.02Å; L1330-V1407 HydrophobicContact CD2-CG2 4.15Å; L1330-I1408 PolarHBondContact O-N 2.86Å; L1330-T1430 HydrophobicContact CD2-CG2 4.07Å |
| 1331 | L | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.4 | 179.6 | -52.8 | 176.4 | 0 | 0 | 0 | 111 | V1329 I1346 L1356 Y1357 A1358 S1359 T1362 Y1366 I1408 | V1329-L1331 HydrophobicContact CG1-CD2 3.97Å; L1331-I1346 HydrophobicContact CD1-CD1 4.01Å; L1331-I1346 HydrophobicContact CD1-CG1 4.32Å; L1331-I1346 HydrophobicContact CD1-CG2 3.79Å; L1331-I1346 HydrophobicContact CD2-CD1 3.8Å; L1331-L1356 HydrophobicContact CD1-CB 4.5Å; L1331-L1356 HydrophobicContact CD1-CD1 4.43Å; L1331-Y1357 PolarHBondContact N-O 3.36Å; L1331-A1358 HydrophobicContact CB-CB 4.06Å; L1331-A1358 CarbonylContact O-C 3.57Å; L1331-A1358 WeakPolarHBondContact O-CA 3.27Å; L1331-A1358 WeakPolarHBondContact O-CB 3.4Å; L1331-S1359 PolarHBondContact O-N 3.02Å; L1331-T1362 HydrophobicContact CB-CG2 4.03Å; L1331-Y1366 HydrophobicContact CD1-CD2 4.28Å; L1331-Y1366 HydrophobicContact CD1-CE2 4.22Å; L1331-I1408 HydrophobicContact CD2-CB 4.03Å; L1331-I1408 HydrophobicContact CD2-CD1 3.75Å; L1331-I1408 HydrophobicContact CD2-CG1 4.34Å |
| 1332 | S | 91.7 | Very high | 89.8 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 96 | 170.3 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | S1359 W1378 I1408 N1409 L1410 | S1332-S1359 PolarHBondContact OG-OG 3.42Å; S1332-W1378 WeakPolarHBondContact OG-CZ2 3.26Å; S1332-I1408 PolarHBondContact N-O 3Å; S1332-N1409 CarbonylContact O-C 3.58Å; S1332-N1409 WeakPolarHBondContact O-CA 3.49Å; S1332-L1410 PolarHBondContact O-N 3.48Å |
| 1333 | I | 90 | Very high | 90 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 114.6 | -171.2 | -59 | 169.9 | 0 | 0 | 0 | 109 | H1338 K1339 L1342 T1362 Y1366 L1410 | I1333-H1338 HydrophobicContact CG2-CB 3.58Å; I1333-K1339 HydrophobicContact CB-CG 3.96Å; I1333-K1339 HydrophobicContact CG2-CB 4.43Å; I1333-K1339 HydrophobicContact CG2-CG 3.61Å; I1333-K1339 WeakPolarHBondContact O-CE 3.11Å; I1333-L1342 HydrophobicContact CD1-CD1 3.67Å; I1333-L1342 HydrophobicContact CG1-CD1 4.38Å; I1333-T1362 HydrophobicContact CB-CG2 4.08Å; I1333-T1362 HydrophobicContact CD1-CG2 4.27Å; I1333-T1362 HydrophobicContact CG1-CG2 4.19Å; I1333-T1362 PolarHBondContact N-OG1 3.21Å; I1333-T1362 PolarHBondContact O-OG1 3.11Å; I1333-Y1366 HydrophobicContact CD1-CE2 3.71Å; I1333-Y1366 WeakPolarHBondContact CD1-OH 3.5Å; I1333-L1410 HydrophobicContact CG1-CG 4.44Å; I1333-L1410 HydrophobicContact CG2-CB 4.35Å; I1333-L1410 HydrophobicContact CG2-CD1 4.17Å |
| 1334 | G | 77.9 | Confident | 90.3 | Very high | 27 Ų | 27 | 44 Ų | 44 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | trans | -64.8 | -67.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1410 | G1334-L1410 PolarHBondContact N-O 2.78Š| ||
| 1335 | S | 82 | Confident | 90.5 | Very high | 32 Ų | 32 | 43 Ų | 43 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -79.5 | 141.5 | -170.3 | 78 | 0 | 0 | 0 | 0 | 112.6 | K1337 H1338 K1339 | S1335-K1337 PolarHBondContact O-N 3.29Å; S1335-H1338 PolarHBondContact O-N 3.17Å; S1335-H1338 VanDerWaalsContact O-N 3.16Å; S1335-H1338 WeakPolarHBondContact OG-CB 3.46Å; S1335-H1338 PolarHBondContact OG-N 2.94Å; S1335-H1338 PolarHBondContact OG-ND1 3.45Å; S1335-K1339 WeakPolarHBondContact O-CG 3.43Å; S1335-K1339 PolarHBondContact O-N 3.07Å; S1335-K1339 VanDerWaalsContact O-N 3.12Å |
| 1336 | F | 86.3 | Confident | 90.7 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 60% | 0.601 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -53.2 | -38.8 | 172.1 | 176.6 | -94.5 | 0 | 0 | 0 | 111.9 | K1339 M1340 F1365 | F1336-K1339 WeakPolarHBondContact O-CB 3.47Å; F1336-K1339 PolarHBondContact O-N 2.76Å; F1336-M1340 HydrophobicContact CD1-CG 4.17Å; F1336-M1340 HydrophobicContact CE1-CG 3.64Å; F1336-M1340 HydrophobicContact CE2-CG 4.48Å; F1336-M1340 HydrophobicContact CZ-CG 3.82Å; F1336-M1340 HydrophobicContact CZ-SD 4.17Å; F1336-M1340 PolarHBondContact O-N 2.76Å; F1336-F1365 HydrophobicContact CD2-CD2 4.21Å; F1336-F1365 AromaticContact CD2-CE2 3.95Å; F1336-F1365 HydrophobicContact CD2-CE2 3.95Å; F1336-F1365 HydrophobicContact CE2-CD2 4.05Å; F1336-F1365 AromaticContact CE2-CE2 3.55Å; F1336-F1365 HydrophobicContact CE2-CE2 3.55Å; F1336-F1365 HydrophobicContact CZ-CE2 4.25Å |
| 1337 | K | 85.4 | Confident | 91.1 | Very high | 101 Ų | 101 | 39.8 Ų | 39.8 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 177.1 | -177.7 | 174.1 | -177.6 | 161.6 | 0 | 113.1 | E1145 S1335 K1339 M1340 E1341 | E1145-K1337 WeakPolarHBondContact OE1-CE 3.41Å; E1145-K1337 IonicContact OE1-NZ 2.79Å; E1145-K1337 PolarHBondContact OE1-NZ 3.03Å; E1145-K1337 IonicContact OE2-NZ 2.8Å; E1145-K1337 PolarHBondContact OE2-NZ 2.94Å; S1335-K1337 PolarHBondContact O-N 3.29Å; K1337-K1339 VanDerWaalsContact C-N 3.3Å; K1337-K1339 PolarHBondContact O-N 3.22Å; K1337-M1340 PolarHBondContact O-N 3.48Å; K1337-E1341 PolarHBondContact O-N 3.42Å |
| 1338 | H | 90 | Very high | 91.3 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 17% | 0.167 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -35 | 177.3 | -66.1 | 164.1 | 0 | 0 | 0 | 111.6 | I1333 S1335 M1340 E1341 L1342 L1410 | I1333-H1338 HydrophobicContact CG2-CB 3.58Å; S1335-H1338 PolarHBondContact O-N 3.17Å; S1335-H1338 VanDerWaalsContact O-N 3.16Å; S1335-H1338 WeakPolarHBondContact OG-CB 3.46Å; S1335-H1338 PolarHBondContact OG-N 2.94Å; S1335-H1338 PolarHBondContact OG-ND1 3.45Å; H1338-M1340 VanDerWaalsContact C-N 3.35Å; H1338-E1341 PolarHBondContact O-N 2.93Å; H1338-L1342 WeakPolarHBondContact O-CB 3.39Å; H1338-L1342 WeakPolarHBondContact O-CG 3.14Å; H1338-L1342 PolarHBondContact O-N 2.91Å; H1338-L1410 HydrophobicContact CB-CD1 3.98Å |
| 1339 | K | 92.5 | Very high | 91.3 | Very high | 29 Ų | 29 | 36 Ų | 36 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 174.1 | -62.5 | 178.6 | -171.2 | 175.1 | 0 | 111.7 | I1333 S1335 F1336 K1337 L1343 G1361 F1365 Y1366 | I1333-K1339 HydrophobicContact CB-CG 3.96Å; I1333-K1339 HydrophobicContact CG2-CB 4.43Å; I1333-K1339 HydrophobicContact CG2-CG 3.61Å; I1333-K1339 WeakPolarHBondContact O-CE 3.11Å; S1335-K1339 WeakPolarHBondContact O-CG 3.43Å; S1335-K1339 PolarHBondContact O-N 3.07Å; S1335-K1339 VanDerWaalsContact O-N 3.12Å; F1336-K1339 WeakPolarHBondContact O-CB 3.47Å; F1336-K1339 PolarHBondContact O-N 2.76Å; K1337-K1339 VanDerWaalsContact C-N 3.3Å; K1337-K1339 PolarHBondContact O-N 3.22Å; K1339-L1343 PolarHBondContact O-N 3.4Å; K1339-G1361 PolarHBondContact NZ-O 3.21Å; K1339-F1365 HydrophobicContact CB-CD1 3.59Å; K1339-F1365 HydrophobicContact CB-CD2 4.37Å; K1339-F1365 HydrophobicContact CB-CE1 3.44Å; K1339-F1365 VanDerWaalsContact CB-CE1 3.44Å; K1339-F1365 HydrophobicContact CB-CE2 4.22Å; K1339-F1365 HydrophobicContact CB-CG 4.08Å; K1339-F1365 HydrophobicContact CB-CZ 3.76Å; K1339-F1365 HydrophobicContact CD-CB 3.9Å; K1339-F1365 HydrophobicContact CD-CD1 3.95Å; K1339-F1365 HydrophobicContact CD-CD2 4.16Å; K1339-F1365 HydrophobicContact CD-CG 3.71Å; K1339-F1365 HydrophobicContact CG-CD1 4.22Å; K1339-F1365 HydrophobicContact CG-CG 4.46Å; K1339-Y1366 PolarHBondContact O-OH 3.46Å |
| 1340 | M | 92.9 | Very high | 91.2 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 41% | 0.414 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65 | -45.2 | 174.1 | -76 | -63 | -58.2 | 0 | 0 | 112.5 | F1336 K1337 H1338 L1342 L1343 F1365 | F1336-M1340 HydrophobicContact CD1-CG 4.17Å; F1336-M1340 HydrophobicContact CE1-CG 3.64Å; F1336-M1340 HydrophobicContact CE2-CG 4.48Å; F1336-M1340 HydrophobicContact CZ-CG 3.82Å; F1336-M1340 HydrophobicContact CZ-SD 4.17Å; F1336-M1340 PolarHBondContact O-N 2.76Å; K1337-M1340 PolarHBondContact O-N 3.48Å; H1338-M1340 VanDerWaalsContact C-N 3.35Å; M1340-L1342 PolarHBondContact O-N 3.43Å; M1340-L1343 WeakPolarHBondContact O-CB 3.27Å; M1340-L1343 PolarHBondContact O-N 3.25Å; M1340-F1365 HydrophobicContact CG-CE2 4.34Å; M1340-F1365 HydrophobicContact CG-CZ 3.99Å; M1340-F1365 HydrophobicContact SD-CE2 4Å; M1340-F1365 HydrophobicContact SD-CZ 3.58Å; M1340-F1365 VanDerWaalsContact SD-CZ 3.58Å |
| 1341 | E | 92.6 | Very high | 91 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -37.8 | -179.7 | -178.8 | 172.2 | -179.5 | 0 | 0 | 112.6 | K1337 H1338 P1344 V1445 K1446 K1449 | K1337-E1341 PolarHBondContact O-N 3.42Å; H1338-E1341 PolarHBondContact O-N 2.93Å; E1341-P1344 WeakPolarHBondContact O-CD 3.1Å; E1341-V1445 HydrophobicContact CG-CG2 4.33Å; E1341-K1446 IonicContact OE1-NZ 2.63Å; E1341-K1446 PolarHBondContact OE1-NZ 2.62Å; E1341-K1446 IonicContact OE2-NZ 3.59Å; E1341-K1449 HydrophobicContact CG-CD 4.16Å; E1341-K1449 IonicContact OE1-NZ 3.4Å; E1341-K1449 PolarHBondContact OE1-NZ 3.06Å |
| 1342 | L | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -84 | -10 | -179.4 | -72.9 | 179.5 | 0 | 0 | 0 | 114.4 | I1333 H1338 M1340 P1344 S1345 I1346 L1410 V1445 T1448 K1449 | I1333-L1342 HydrophobicContact CD1-CD1 3.67Å; I1333-L1342 HydrophobicContact CG1-CD1 4.38Å; H1338-L1342 WeakPolarHBondContact O-CB 3.39Å; H1338-L1342 WeakPolarHBondContact O-CG 3.14Å; H1338-L1342 PolarHBondContact O-N 2.91Å; M1340-L1342 PolarHBondContact O-N 3.43Å; L1342-P1344 VanDerWaalsContact C-CD 3.41Å; L1342-P1344 VanDerWaalsContact C-N 3.29Å; L1342-P1344 VanDerWaalsContact O-N 3.15Å; L1342-S1345 WeakPolarHBondContact O-CA 3.3Å; L1342-S1345 WeakPolarHBondContact O-CB 3.34Å; L1342-S1345 PolarHBondContact O-N 3Å; L1342-I1346 HydrophobicContact CB-CG1 4.23Å; L1342-I1346 WeakPolarHBondContact O-CG1 3.32Å; L1342-I1346 PolarHBondContact O-N 2.9Å; L1342-L1410 HydrophobicContact CD1-CD1 3.45Å; L1342-L1410 VanDerWaalsContact CD1-CD1 3.45Å; L1342-L1410 HydrophobicContact CD1-CG 4.44Å; L1342-V1445 HydrophobicContact CD1-CG2 4.24Å; L1342-V1445 HydrophobicContact CD2-CG2 3.94Å; L1342-V1445 HydrophobicContact CG-CG2 3.84Å; L1342-T1448 HydrophobicContact CD1-CG2 4.17Å; L1342-T1448 HydrophobicContact CD2-CG2 3.76Å; L1342-K1449 HydrophobicContact CD2-CD 4.44Å; L1342-K1449 HydrophobicContact CD2-CG 3.68Å |
| 1343 | L | 94.7 | Very high | 90.9 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -49.1 | -42.5 | -178.4 | -179.1 | 64.3 | 0 | 0 | 0 | 113.8 | K1339 M1340 R1347 Y1366 H1369 V1371 | K1339-L1343 PolarHBondContact O-N 3.4Å; M1340-L1343 WeakPolarHBondContact O-CB 3.27Å; M1340-L1343 PolarHBondContact O-N 3.25Å; L1343-R1347 WeakPolarHBondContact O-CG 3.38Å; L1343-R1347 PolarHBondContact O-N 2.95Å; L1343-R1347 VanDerWaalsContact O-N 3.09Å; L1343-Y1366 HydrophobicContact CB-CE1 4.38Å; L1343-Y1366 HydrophobicContact CD1-CD1 3.77Å; L1343-Y1366 HydrophobicContact CD1-CE1 3.94Å; L1343-H1369 HydrophobicContact CD1-CB 3.76Å; L1343-H1369 HydrophobicContact CD2-CB 4.2Å; L1343-V1371 HydrophobicContact CD1-CG2 4.16Å |
| 1344 | P | 94.2 | Very high | 91 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 49% | 0.494 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 173.8 | -21.4 | 34.6 | 0 | 0 | 0 | 113.1 | E1341 L1342 I1346 R1347 D1348 | E1341-P1344 WeakPolarHBondContact O-CD 3.1Å; L1342-P1344 VanDerWaalsContact C-CD 3.41Å; L1342-P1344 VanDerWaalsContact C-N 3.29Å; L1342-P1344 VanDerWaalsContact O-N 3.15Å; P1344-I1346 PolarHBondContact O-N 3.31Å; P1344-R1347 WeakPolarHBondContact O-CB 3.26Å; P1344-R1347 PolarHBondContact O-N 3.31Å; P1344-D1348 PolarHBondContact O-N 3.07Å |
| 1345 | S | 94.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | L1342 R1347 D1348 L1349 V1452 | L1342-S1345 WeakPolarHBondContact O-CA 3.3Å; L1342-S1345 WeakPolarHBondContact O-CB 3.34Å; L1342-S1345 PolarHBondContact O-N 3Å; S1345-R1347 VanDerWaalsContact C-N 3.34Å; S1345-R1347 PolarHBondContact O-N 2.96Å; S1345-D1348 PolarHBondContact O-N 3.31Å; S1345-L1349 PolarHBondContact O-N 3.39Å; S1345-V1452 WeakPolarHBondContact O-CG1 3.45Å |
| 1346 | I | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 176.7 | -59.3 | -44.2 | 0 | 0 | 0 | 111.3 | L1331 L1342 P1344 D1348 L1349 A1350 L1356 Y1366 V1371 | L1331-I1346 HydrophobicContact CD1-CD1 4.01Å; L1331-I1346 HydrophobicContact CD1-CG1 4.32Å; L1331-I1346 HydrophobicContact CD1-CG2 3.79Å; L1331-I1346 HydrophobicContact CD2-CD1 3.8Å; L1342-I1346 HydrophobicContact CB-CG1 4.23Å; L1342-I1346 WeakPolarHBondContact O-CG1 3.32Å; L1342-I1346 PolarHBondContact O-N 2.9Å; P1344-I1346 PolarHBondContact O-N 3.31Å; I1346-D1348 VanDerWaalsContact C-N 3.31Å; I1346-D1348 PolarHBondContact O-N 3.01Å; I1346-L1349 HydrophobicContact CD1-CD1 4.01Å; I1346-L1349 PolarHBondContact O-N 3.05Å; I1346-A1350 PolarHBondContact O-N 3.39Å; I1346-L1356 HydrophobicContact CG2-CD1 3.81Å; I1346-Y1366 HydrophobicContact CB-CE1 4.15Å; I1346-Y1366 HydrophobicContact CG1-CE1 3.95Å; I1346-Y1366 HydrophobicContact CG1-CE2 4.04Å; I1346-Y1366 WeakPolarHBondContact CG1-OH 3.36Å; I1346-Y1366 HydrophobicContact CG2-CD1 4.34Å; I1346-Y1366 HydrophobicContact CG2-CD2 4.48Å; I1346-Y1366 HydrophobicContact CG2-CE1 4.36Å; I1346-Y1366 HydrophobicContact CG2-CE2 4.46Å; I1346-Y1366 HydrophobicContact CG2-CG 4.43Å; I1346-V1371 HydrophobicContact CG2-CG1 3.77Å |
| 1347 | R | 94.7 | Very high | 92.8 | Very high | 108 Ų | 108 | 49.6 Ų | 49.6 | 41% | 0.408 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 171.6 | -76 | 173.1 | 175.4 | 163.6 | 0.2 | 111.9 | L1343 P1344 S1345 A1350 K1351 H1369 V1371 | L1343-R1347 WeakPolarHBondContact O-CG 3.38Å; L1343-R1347 PolarHBondContact O-N 2.95Å; L1343-R1347 VanDerWaalsContact O-N 3.09Å; P1344-R1347 WeakPolarHBondContact O-CB 3.26Å; P1344-R1347 PolarHBondContact O-N 3.31Å; S1345-R1347 VanDerWaalsContact C-N 3.34Å; S1345-R1347 PolarHBondContact O-N 2.96Å; R1347-A1350 PolarHBondContact O-N 3.3Å; R1347-K1351 VanDerWaalsContact O-CG 3.29Å; R1347-K1351 WeakPolarHBondContact O-CG 3.2Å; R1347-K1351 PolarHBondContact O-N 3.34Å; R1347-H1369 PolarHBondContact NH2-O 3.46Å; R1347-V1371 HydrophobicContact CG-CG2 3.75Å |
| 1348 | D | 92.7 | Very high | 93.1 | Very high | 38 Ų | 38 | 44.8 Ų | 44.8 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 176.7 | -72.3 | -14.4 | 0 | 0 | 0 | 111.6 | P1344 S1345 I1346 A1350 K1351 M1352 V1452 R1456 | P1344-D1348 PolarHBondContact O-N 3.07Å; S1345-D1348 PolarHBondContact O-N 3.31Å; I1346-D1348 VanDerWaalsContact C-N 3.31Å; I1346-D1348 PolarHBondContact O-N 3.01Å; D1348-A1350 VanDerWaalsContact C-N 3.35Å; D1348-A1350 PolarHBondContact O-N 3.5Å; D1348-K1351 PolarHBondContact O-N 3.3Å; D1348-K1351 IonicContact OD1-NZ 3.78Å; D1348-K1351 PolarHBondContact OD1-NZ 3.26Å; D1348-M1352 VanDerWaalsContact O-CG 3.25Å; D1348-M1352 WeakPolarHBondContact O-CG 3.3Å; D1348-M1352 PolarHBondContact O-N 3Å; D1348-V1452 HydrophobicContact CB-CG1 3.96Å; D1348-R1456 IonicContact OD2-NE 3.18Å |
| 1349 | L | 92.8 | Very high | 93 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 171.5 | -75.7 | 175.7 | 0 | 0 | 0 | 112.4 | S1345 I1346 M1352 Y1354 L1356 I1408 V1452 M1455 | S1345-L1349 PolarHBondContact O-N 3.39Å; I1346-L1349 HydrophobicContact CD1-CD1 4.01Å; I1346-L1349 PolarHBondContact O-N 3.05Å; L1349-M1352 PolarHBondContact O-N 2.89Å; L1349-Y1354 HydrophobicContact CD2-CD2 3.83Å; L1349-Y1354 HydrophobicContact CD2-CE2 4.08Å; L1349-Y1354 WeakPolarHBondContact O-CD2 3.11Å; L1349-Y1354 PolarHBondContact O-N 3.39Å; L1349-L1356 HydrophobicContact CB-CD2 4.21Å; L1349-I1408 HydrophobicContact CD1-CD1 4.13Å; L1349-V1452 HydrophobicContact CD1-CG2 3.84Å; L1349-V1452 HydrophobicContact CD2-CG1 4.32Å; L1349-V1452 HydrophobicContact CD2-CG2 3.92Å; L1349-V1452 HydrophobicContact CG-CG1 4.05Å; L1349-V1452 HydrophobicContact CG-CG2 3.72Å; L1349-M1455 HydrophobicContact CD2-CE 4.49Å |
| 1350 | A | 91.7 | Very high | 92.5 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 31% | 0.306 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | I1346 R1347 D1348 M1352 G1353 L1356 | I1346-A1350 PolarHBondContact O-N 3.39Å; R1347-A1350 PolarHBondContact O-N 3.3Å; D1348-A1350 VanDerWaalsContact C-N 3.35Å; D1348-A1350 PolarHBondContact O-N 3.5Å; A1350-M1352 VanDerWaalsContact C-N 3.29Å; A1350-M1352 PolarHBondContact O-N 2.81Å; A1350-G1353 PolarHBondContact O-N 2.94Å; A1350-G1353 VanDerWaalsContact O-N 3.09Å; A1350-L1356 HydrophobicContact CB-CD1 3.96Å |
| 1351 | K | 91.3 | Very high | 92.1 | Very high | 166 Ų | 166 | 44.4 Ų | 44.4 | 72% | 0.722 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.1 | -30.8 | 176.4 | -73.1 | 171.3 | -171.5 | 166.7 | 0 | 113.1 | R1347 D1348 G1353 | R1347-K1351 VanDerWaalsContact O-CG 3.29Å; R1347-K1351 WeakPolarHBondContact O-CG 3.2Å; R1347-K1351 PolarHBondContact O-N 3.34Å; D1348-K1351 PolarHBondContact O-N 3.3Å; D1348-K1351 IonicContact OD1-NZ 3.78Å; D1348-K1351 PolarHBondContact OD1-NZ 3.26Å; K1351-G1353 PolarHBondContact O-N 2.95Å |
| 1352 | M | 91.5 | Very high | 92.1 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.8 | 174.5 | -71.2 | 174.7 | 74.8 | 0 | 0 | 113.1 | D1348 L1349 A1350 Y1354 M1455 R1456 | D1348-M1352 VanDerWaalsContact O-CG 3.25Å; D1348-M1352 WeakPolarHBondContact O-CG 3.3Å; D1348-M1352 PolarHBondContact O-N 3Å; L1349-M1352 PolarHBondContact O-N 2.89Å; A1350-M1352 VanDerWaalsContact C-N 3.29Å; A1350-M1352 PolarHBondContact O-N 2.81Å; M1352-Y1354 HydrophobicContact CB-CD2 3.88Å; M1352-Y1354 HydrophobicContact CB-CE2 3.79Å; M1352-Y1354 HydrophobicContact CE-CE2 3.9Å; M1352-Y1354 HydrophobicContact SD-CE2 4.23Å; M1352-M1455 HydrophobicContact CE-CB 3.84Å; M1352-M1455 HydrophobicContact CE-CE 4.38Å; M1352-R1456 HydrophobicContact SD-CB 4.15Å |
| 1353 | G | 91.2 | Very high | 91.9 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 68% | 0.68 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94 | 9.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1350 K1351 | A1350-G1353 PolarHBondContact O-N 2.94Å; A1350-G1353 VanDerWaalsContact O-N 3.09Å; K1351-G1353 PolarHBondContact O-N 2.95Å |
| 1354 | Y | 92.5 | Very high | 91.6 | Very high | 34 Ų | 34 | 46 Ų | 46 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | trans | -71.8 | 138.8 | 176.6 | -66.2 | -71 | 0 | 0 | 0 | 111.8 | P1325 N1327 V1329 L1349 M1352 L1356 M1455 | P1325-Y1354 HydrophobicContact CB-CE1 4.09Å; P1325-Y1354 HydrophobicContact CG-CE1 4.07Å; P1325-Y1354 WeakPolarHBondContact O-CE1 3.21Å; P1325-Y1354 PolarHBondContact O-OH 2.95Å; N1327-Y1354 WeakPolarHBondContact O-CA 2.99Å; V1329-Y1354 HydrophobicContact CG2-CD1 4.26Å; V1329-Y1354 HydrophobicContact CG2-CG 4.17Å; L1349-Y1354 HydrophobicContact CD2-CD2 3.83Å; L1349-Y1354 HydrophobicContact CD2-CE2 4.08Å; L1349-Y1354 WeakPolarHBondContact O-CD2 3.11Å; L1349-Y1354 PolarHBondContact O-N 3.39Å; M1352-Y1354 HydrophobicContact CB-CD2 3.88Å; M1352-Y1354 HydrophobicContact CB-CE2 3.79Å; M1352-Y1354 HydrophobicContact CE-CE2 3.9Å; M1352-Y1354 HydrophobicContact SD-CE2 4.23Å; Y1354-L1356 PolarHBondContact O-N 3.48Å; Y1354-M1455 HydrophobicContact CE2-CE 3.75Å; Y1354-M1455 WeakPolarHBondContact OH-CE 3.07Å | ||
| 1355 | K | 94.1 | Very high | 91.6 | Very high | 101 Ų | 101 | 43 Ų | 43 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 114.4 | 169.5 | -171.4 | 169 | -177 | -162.4 | 0 | 109.6 | N1327 A1328 V1329 Y1357 E1374 | N1327-K1355 PolarHBondContact O-N 3.05Å; A1328-K1355 WeakPolarHBondContact CA-O 3.36Å; V1329-K1355 PolarHBondContact N-O 3.04Å; K1355-Y1357 HydrophobicContact CB-CE2 4.42Å; K1355-Y1357 HydrophobicContact CD-CE2 3.97Å; K1355-Y1357 WeakPolarHBondContact CD-OH 3.5Å; K1355-Y1357 WeakPolarHBondContact CE-OH 3.33Å; K1355-Y1357 HydrophobicContact CG-CD2 4.48Å; K1355-Y1357 HydrophobicContact CG-CE2 3.84Å; K1355-Y1357 PolarHBondContact NZ-OH 3.29Å; K1355-E1374 WeakPolarHBondContact CE-OE2 3.43Å; K1355-E1374 IonicContact NZ-OE2 3.2Å; K1355-E1374 PolarHBondContact NZ-OE2 2.76Å |
| 1356 | L | 95.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.7 | -176.7 | -55.1 | -177.6 | 0 | 0 | 0 | 110.8 | V1329 L1331 I1346 L1349 A1350 Y1354 V1371 V1373 E1374 | V1329-L1356 HydrophobicContact CB-CD2 3.98Å; V1329-L1356 HydrophobicContact CG2-CD2 4.48Å; L1331-L1356 HydrophobicContact CD1-CB 4.5Å; L1331-L1356 HydrophobicContact CD1-CD1 4.43Å; I1346-L1356 HydrophobicContact CG2-CD1 3.81Å; L1349-L1356 HydrophobicContact CB-CD2 4.21Å; A1350-L1356 HydrophobicContact CB-CD1 3.96Å; Y1354-L1356 PolarHBondContact O-N 3.48Å; L1356-V1371 HydrophobicContact CD1-CG1 3.81Å; L1356-V1373 HydrophobicContact CB-CB 4.25Å; L1356-V1373 HydrophobicContact CB-CG2 3.92Å; L1356-V1373 WeakPolarHBondContact O-CA 3.43Å; L1356-E1374 PolarHBondContact O-N 2.9Å |
| 1357 | Y | 93.6 | Very high | 91.4 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 151.1 | 168.3 | -64.2 | -94 | 0 | 0 | 0 | 109 | A1328 V1329 L1330 L1331 K1355 E1374 V1376 F1398 F1404 | A1328-Y1357 HydrophobicContact CB-CD2 4.28Å; A1328-Y1357 HydrophobicContact CB-CE2 3.9Å; V1329-Y1357 PolarHBondContact O-N 3.35Å; L1330-Y1357 CarbonylContact C-O 3.16Å; L1330-Y1357 WeakPolarHBondContact CA-O 3.43Å; L1331-Y1357 PolarHBondContact N-O 3.36Å; K1355-Y1357 HydrophobicContact CB-CE2 4.42Å; K1355-Y1357 HydrophobicContact CD-CE2 3.97Å; K1355-Y1357 WeakPolarHBondContact CD-OH 3.5Å; K1355-Y1357 WeakPolarHBondContact CE-OH 3.33Å; K1355-Y1357 HydrophobicContact CG-CD2 4.48Å; K1355-Y1357 HydrophobicContact CG-CE2 3.84Å; K1355-Y1357 PolarHBondContact NZ-OH 3.29Å; Y1357-E1374 CarbonylContact C-O 3.5Å; Y1357-E1374 VanDerWaalsContact CA-O 3.23Å; Y1357-E1374 WeakPolarHBondContact CA-O 3.34Å; Y1357-E1374 HydrophobicContact CD1-CB 3.86Å; Y1357-E1374 HydrophobicContact CD1-CG 4.16Å; Y1357-E1374 HydrophobicContact CE1-CB 4.15Å; Y1357-E1374 HydrophobicContact CE1-CG 4.17Å; Y1357-E1374 WeakPolarHBondContact CE1-OE2 3.5Å; Y1357-V1376 HydrophobicContact CD1-CG1 3.91Å; Y1357-F1398 HydrophobicContact CE1-CE1 4.15Å; Y1357-F1398 HydrophobicContact CE1-CZ 4.21Å; Y1357-F1404 HydrophobicContact CD1-CE1 4.24Å; Y1357-F1404 HydrophobicContact CD2-CD1 4.02Å; Y1357-F1404 AromaticContact CD2-CE1 3.5Å; Y1357-F1404 HydrophobicContact CD2-CE1 3.5Å; Y1357-F1404 HydrophobicContact CE2-CE1 4.08Å; Y1357-F1404 HydrophobicContact CG-CD1 4.48Å; Y1357-F1404 AromaticContact CG-CE1 3.57Å; Y1357-F1404 HydrophobicContact CG-CE1 3.57Å; Y1357-F1404 HydrophobicContact CG-CZ 4.32Å |
| 1358 | A | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 151.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1331 T1362 V1373 E1374 S1375 V1376 | L1331-A1358 HydrophobicContact CB-CB 4.06Å; L1331-A1358 CarbonylContact O-C 3.57Å; L1331-A1358 WeakPolarHBondContact O-CA 3.27Å; L1331-A1358 WeakPolarHBondContact O-CB 3.4Å; A1358-T1362 HydrophobicContact CB-CG2 4.09Å; A1358-V1373 HydrophobicContact CB-CG2 3.42Å; A1358-V1373 VanDerWaalsContact CB-CG2 3.42Å; A1358-E1374 PolarHBondContact N-O 3.32Å; A1358-S1375 CarbonylContact O-C 3.45Å; A1358-S1375 VanDerWaalsContact O-CA 3.29Å; A1358-S1375 WeakPolarHBondContact O-CA 3.44Å; A1358-V1376 VanDerWaalsContact O-CG2 3.3Å; A1358-V1376 WeakPolarHBondContact O-CG2 3.41Å; A1358-V1376 PolarHBondContact O-N 3.35Å |
| 1359 | S | 87.9 | Confident | 91.3 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 146 | 166.3 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | L1331 S1332 G1361 T1362 G1363 | L1331-S1359 PolarHBondContact O-N 3.02Å; S1332-S1359 PolarHBondContact OG-OG 3.42Å; S1359-G1361 PolarHBondContact O-N 3.08Å; S1359-G1361 VanDerWaalsContact O-N 3.13Å; S1359-T1362 CarbonylContact O-C 3.43Å; S1359-T1362 WeakPolarHBondContact O-CA 3.5Å; S1359-T1362 WeakPolarHBondContact O-CB 3.46Å; S1359-T1362 PolarHBondContact O-N 3.22Å; S1359-T1362 PolarHBondContact OG-OG1 2.94Å; S1359-G1363 PolarHBondContact O-N 3.46Å |
| 1360 | M | 83.5 | Confident | 91.2 | Very high | 90 Ų | 90 | 52 Ų | 52 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -40.8 | -58.5 | -170.5 | -59.3 | -168.8 | -43.2 | 0 | 0 | 114 | T1362 G1363 D1364 | M1360-T1362 VanDerWaalsContact C-N 3.26Å; M1360-T1362 PolarHBondContact O-N 3.23Å; M1360-G1363 PolarHBondContact O-N 3.29Å; M1360-G1363 VanDerWaalsContact O-N 3.09Å; M1360-D1364 PolarHBondContact O-N 2.77Å |
| 1361 | G | 85 | Confident | 91.2 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 42% | 0.423 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69 | -16.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K1339 S1359 | K1339-G1361 PolarHBondContact NZ-O 3.21Å; S1359-G1361 PolarHBondContact O-N 3.08Å; S1359-G1361 VanDerWaalsContact O-N 3.13Å |
| 1362 | T | 90.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -84.2 | -39.9 | 170.3 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | L1331 I1333 A1358 S1359 M1360 Y1366 | L1331-T1362 HydrophobicContact CB-CG2 4.03Å; I1333-T1362 HydrophobicContact CB-CG2 4.08Å; I1333-T1362 HydrophobicContact CD1-CG2 4.27Å; I1333-T1362 HydrophobicContact CG1-CG2 4.19Å; I1333-T1362 PolarHBondContact N-OG1 3.21Å; I1333-T1362 PolarHBondContact O-OG1 3.11Å; A1358-T1362 HydrophobicContact CB-CG2 4.09Å; S1359-T1362 CarbonylContact O-C 3.43Å; S1359-T1362 WeakPolarHBondContact O-CA 3.5Å; S1359-T1362 WeakPolarHBondContact O-CB 3.46Å; S1359-T1362 PolarHBondContact O-N 3.22Å; S1359-T1362 PolarHBondContact OG-OG1 2.94Å; M1360-T1362 VanDerWaalsContact C-N 3.26Å; M1360-T1362 PolarHBondContact O-N 3.23Å; T1362-Y1366 HydrophobicContact CG2-CD2 3.78Å; T1362-Y1366 HydrophobicContact CG2-CE2 3.61Å; T1362-Y1366 VanDerWaalsContact O-CD2 3.27Å; T1362-Y1366 WeakPolarHBondContact O-CD2 3.22Å; T1362-Y1366 PolarHBondContact O-N 3.29Å |
| 1363 | G | 90.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -51 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1359 M1360 F1365 Y1366 A1367 V1373 | S1359-G1363 PolarHBondContact O-N 3.46Å; M1360-G1363 PolarHBondContact O-N 3.29Å; M1360-G1363 VanDerWaalsContact O-N 3.09Å; G1363-F1365 VanDerWaalsContact C-N 3.33Å; G1363-F1365 PolarHBondContact O-N 2.71Å; G1363-Y1366 PolarHBondContact O-N 3.13Å; G1363-A1367 VanDerWaalsContact O-CB 3.3Å; G1363-A1367 WeakPolarHBondContact O-CB 3.43Å; G1363-A1367 PolarHBondContact O-N 3.44Å; G1363-V1373 WeakPolarHBondContact O-CG1 3.16Å |
| 1364 | D | 90 | Very high | 91.1 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.6 | -48.9 | 179.2 | -61.2 | -20.5 | 0 | 0 | 0 | 111.4 | M1360 Y1366 A1367 E1368 | M1360-D1364 PolarHBondContact O-N 2.77Å; D1364-Y1366 PolarHBondContact O-N 3.28Å; D1364-A1367 PolarHBondContact O-N 2.92Å; D1364-E1368 WeakPolarHBondContact O-CB 3.44Å; D1364-E1368 WeakPolarHBondContact O-CG 3.28Å; D1364-E1368 PolarHBondContact O-N 2.92Å |
| 1365 | F | 94 | Very high | 90.8 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 179 | 172.8 | -87.6 | 0 | 0 | 0 | 112.4 | F1336 K1339 M1340 G1363 E1368 H1369 | F1336-F1365 HydrophobicContact CD2-CD2 4.21Å; F1336-F1365 AromaticContact CD2-CE2 3.95Å; F1336-F1365 HydrophobicContact CD2-CE2 3.95Å; F1336-F1365 HydrophobicContact CE2-CD2 4.05Å; F1336-F1365 AromaticContact CE2-CE2 3.55Å; F1336-F1365 HydrophobicContact CE2-CE2 3.55Å; F1336-F1365 HydrophobicContact CZ-CE2 4.25Å; K1339-F1365 HydrophobicContact CB-CD1 3.59Å; K1339-F1365 HydrophobicContact CB-CD2 4.37Å; K1339-F1365 HydrophobicContact CB-CE1 3.44Å; K1339-F1365 VanDerWaalsContact CB-CE1 3.44Å; K1339-F1365 HydrophobicContact CB-CE2 4.22Å; K1339-F1365 HydrophobicContact CB-CG 4.08Å; K1339-F1365 HydrophobicContact CB-CZ 3.76Å; K1339-F1365 HydrophobicContact CD-CB 3.9Å; K1339-F1365 HydrophobicContact CD-CD1 3.95Å; K1339-F1365 HydrophobicContact CD-CD2 4.16Å; K1339-F1365 HydrophobicContact CD-CG 3.71Å; K1339-F1365 HydrophobicContact CG-CD1 4.22Å; K1339-F1365 HydrophobicContact CG-CG 4.46Å; M1340-F1365 HydrophobicContact CG-CE2 4.34Å; M1340-F1365 HydrophobicContact CG-CZ 3.99Å; M1340-F1365 HydrophobicContact SD-CE2 4Å; M1340-F1365 HydrophobicContact SD-CZ 3.58Å; M1340-F1365 VanDerWaalsContact SD-CZ 3.58Å; G1363-F1365 VanDerWaalsContact C-N 3.33Å; G1363-F1365 PolarHBondContact O-N 2.71Å; F1365-E1368 PolarHBondContact O-N 2.89Å; F1365-H1369 AromaticContact CD2-CE1 3.77Å; F1365-H1369 AromaticContact CD2-ND1 3.98Å; F1365-H1369 AromaticContact CE2-CE1 3.35Å; F1365-H1369 WeakPolarHBondContact CE2-CE1 3.49Å; F1365-H1369 AromaticContact CE2-ND1 3.8Å; F1365-H1369 AromaticContact CE2-NE2 4Å; F1365-H1369 AromaticContact CZ-CE1 3.65Å; F1365-H1369 AromaticContact CZ-ND1 3.83Å; F1365-H1369 PolarHBondContact O-N 3.44Å; F1365-H1369 PolarHBondContact O-ND1 3.5Å |
| 1366 | Y | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74.5 | -34.5 | -176.9 | -78.1 | -51.5 | 0 | 0 | 0 | 112.6 | L1331 I1333 K1339 L1343 I1346 T1362 G1363 D1364 H1369 G1370 V1371 | L1331-Y1366 HydrophobicContact CD1-CD2 4.28Å; L1331-Y1366 HydrophobicContact CD1-CE2 4.22Å; I1333-Y1366 HydrophobicContact CD1-CE2 3.71Å; I1333-Y1366 WeakPolarHBondContact CD1-OH 3.5Å; K1339-Y1366 PolarHBondContact O-OH 3.46Å; L1343-Y1366 HydrophobicContact CB-CE1 4.38Å; L1343-Y1366 HydrophobicContact CD1-CD1 3.77Å; L1343-Y1366 HydrophobicContact CD1-CE1 3.94Å; I1346-Y1366 HydrophobicContact CB-CE1 4.15Å; I1346-Y1366 HydrophobicContact CG1-CE1 3.95Å; I1346-Y1366 HydrophobicContact CG1-CE2 4.04Å; I1346-Y1366 WeakPolarHBondContact CG1-OH 3.36Å; I1346-Y1366 HydrophobicContact CG2-CD1 4.34Å; I1346-Y1366 HydrophobicContact CG2-CD2 4.48Å; I1346-Y1366 HydrophobicContact CG2-CE1 4.36Å; I1346-Y1366 HydrophobicContact CG2-CE2 4.46Å; I1346-Y1366 HydrophobicContact CG2-CG 4.43Å; T1362-Y1366 HydrophobicContact CG2-CD2 3.78Å; T1362-Y1366 HydrophobicContact CG2-CE2 3.61Å; T1362-Y1366 VanDerWaalsContact O-CD2 3.27Å; T1362-Y1366 WeakPolarHBondContact O-CD2 3.22Å; T1362-Y1366 PolarHBondContact O-N 3.29Å; G1363-Y1366 PolarHBondContact O-N 3.13Å; D1364-Y1366 PolarHBondContact O-N 3.28Å; Y1366-H1369 CarbonylContact O-C 3.45Å; Y1366-H1369 PolarHBondContact O-N 3.29Å; Y1366-H1369 VanDerWaalsContact O-N 3.1Å; Y1366-G1370 PolarHBondContact O-N 3.17Å; Y1366-V1371 WeakPolarHBondContact O-CB 3.32Å; Y1366-V1371 PolarHBondContact O-N 3.07Å |
| 1367 | A | 91.1 | Very high | 89.3 | Confident | 56 Ų | 56 | 45.8 Ų | 45.8 | 46% | 0.463 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1363 D1364 H1369 G1370 V1371 V1373 | G1363-A1367 VanDerWaalsContact O-CB 3.3Å; G1363-A1367 WeakPolarHBondContact O-CB 3.43Å; G1363-A1367 PolarHBondContact O-N 3.44Å; D1364-A1367 PolarHBondContact O-N 2.92Å; A1367-H1369 PolarHBondContact O-N 2.86Å; A1367-G1370 PolarHBondContact O-N 2.92Å; A1367-G1370 VanDerWaalsContact O-N 3.1Å; A1367-V1371 WeakPolarHBondContact CA-O 3.46Å; A1367-V1373 HydrophobicContact CB-CG1 4.37Å |
| 1368 | E | 91.6 | Very high | 88 | Confident | 158 Ų | 158 | 47.5 Ų | 47.5 | 74% | 0.738 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.7 | -30.5 | 173.1 | -76.2 | 177 | 177.6 | 0 | 0 | 113.1 | D1364 F1365 G1370 | D1364-E1368 WeakPolarHBondContact O-CB 3.44Å; D1364-E1368 WeakPolarHBondContact O-CG 3.28Å; D1364-E1368 PolarHBondContact O-N 2.92Å; F1365-E1368 PolarHBondContact O-N 2.89Å; E1368-G1370 VanDerWaalsContact C-N 3.35Å |
| 1369 | H | 93 | Very high | 86.4 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 16 | 179.2 | -68.2 | 76.7 | 0 | 0 | 0 | 114 | L1343 R1347 F1365 Y1366 A1367 | L1343-H1369 HydrophobicContact CD1-CB 3.76Å; L1343-H1369 HydrophobicContact CD2-CB 4.2Å; R1347-H1369 PolarHBondContact NH2-O 3.46Å; F1365-H1369 AromaticContact CD2-CE1 3.77Å; F1365-H1369 AromaticContact CD2-ND1 3.98Å; F1365-H1369 AromaticContact CE2-CE1 3.35Å; F1365-H1369 WeakPolarHBondContact CE2-CE1 3.49Å; F1365-H1369 AromaticContact CE2-ND1 3.8Å; F1365-H1369 AromaticContact CE2-NE2 4Å; F1365-H1369 AromaticContact CZ-CE1 3.65Å; F1365-H1369 AromaticContact CZ-ND1 3.83Å; F1365-H1369 PolarHBondContact O-N 3.44Å; F1365-H1369 PolarHBondContact O-ND1 3.5Å; Y1366-H1369 CarbonylContact O-C 3.45Å; Y1366-H1369 PolarHBondContact O-N 3.29Å; Y1366-H1369 VanDerWaalsContact O-N 3.1Å; A1367-H1369 PolarHBondContact O-N 2.86Å |
| 1370 | G | 90.4 | Very high | 84.8 | Confident | 70 Ų | 70 | 50.9 Ų | 50.9 | 72% | 0.722 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 21.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1366 A1367 E1368 | Y1366-G1370 PolarHBondContact O-N 3.17Å; A1367-G1370 PolarHBondContact O-N 2.92Å; A1367-G1370 VanDerWaalsContact O-N 3.1Å; E1368-G1370 VanDerWaalsContact C-N 3.35Å |
| 1371 | V | 91.8 | Very high | 83.2 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | trans | -100.4 | 124.8 | 173.9 | 174.4 | 0 | 0 | 0 | 0 | 108.7 | L1343 I1346 R1347 L1356 Y1366 A1367 V1373 | L1343-V1371 HydrophobicContact CD1-CG2 4.16Å; I1346-V1371 HydrophobicContact CG2-CG1 3.77Å; R1347-V1371 HydrophobicContact CG-CG2 3.75Å; L1356-V1371 HydrophobicContact CD1-CG1 3.81Å; Y1366-V1371 WeakPolarHBondContact O-CB 3.32Å; Y1366-V1371 PolarHBondContact O-N 3.07Å; A1367-V1371 WeakPolarHBondContact CA-O 3.46Å; V1371-V1373 PolarHBondContact O-N 2.83Å | ||
| 1372 | N | 89.6 | Confident | 81.1 | Confident | 148 Ų | 148 | 59.5 Ų | 59.5 | 79% | 0.791 | 32% | 0.32 | S | S | * | . | trans | -71.3 | 111.3 | 175.3 | -173 | 19.1 | 0 | 0 | 0 | 110.2 | ||||
| 1373 | V | 91.9 | Very high | 78.6 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 11% | 0.109 | 36% | 0.355 | C | S | . | . | trans | -143.4 | 138.5 | -177.5 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | L1356 A1358 G1363 A1367 V1371 | L1356-V1373 HydrophobicContact CB-CB 4.25Å; L1356-V1373 HydrophobicContact CB-CG2 3.92Å; L1356-V1373 WeakPolarHBondContact O-CA 3.43Å; A1358-V1373 HydrophobicContact CB-CG2 3.42Å; A1358-V1373 VanDerWaalsContact CB-CG2 3.42Å; G1363-V1373 WeakPolarHBondContact O-CG1 3.16Å; A1367-V1373 HydrophobicContact CB-CG1 4.37Å; V1371-V1373 PolarHBondContact O-N 2.83Å | ||
| 1374 | E | 90.7 | Very high | 76.1 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.9 | -179.4 | -169.4 | 177.4 | 149.1 | 0 | 0 | 110.5 | K1355 L1356 Y1357 A1358 | K1355-E1374 WeakPolarHBondContact CE-OE2 3.43Å; K1355-E1374 IonicContact NZ-OE2 3.2Å; K1355-E1374 PolarHBondContact NZ-OE2 2.76Å; L1356-E1374 PolarHBondContact O-N 2.9Å; Y1357-E1374 CarbonylContact C-O 3.5Å; Y1357-E1374 VanDerWaalsContact CA-O 3.23Å; Y1357-E1374 WeakPolarHBondContact CA-O 3.34Å; Y1357-E1374 HydrophobicContact CD1-CB 3.86Å; Y1357-E1374 HydrophobicContact CD1-CG 4.16Å; Y1357-E1374 HydrophobicContact CE1-CB 4.15Å; Y1357-E1374 HydrophobicContact CE1-CG 4.17Å; Y1357-E1374 WeakPolarHBondContact CE1-OE2 3.5Å; A1358-E1374 PolarHBondContact N-O 3.32Å |
| 1375 | S | 86 | Confident | 73.7 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 134.9 | -179.9 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | A1358 | A1358-S1375 CarbonylContact O-C 3.45Å; A1358-S1375 VanDerWaalsContact O-CA 3.29Å; A1358-S1375 WeakPolarHBondContact O-CA 3.44Å |
| 1376 | V | 82.8 | Confident | 71.2 | Confident | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.024 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.4 | 176.6 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | L1330 Y1357 A1358 L1395 F1398 | L1330-V1376 HydrophobicContact CD1-CG2 3.75Å; Y1357-V1376 HydrophobicContact CD1-CG1 3.91Å; A1358-V1376 VanDerWaalsContact O-CG2 3.3Å; A1358-V1376 WeakPolarHBondContact O-CG2 3.41Å; A1358-V1376 PolarHBondContact O-N 3.35Å; V1376-L1395 HydrophobicContact CB-CD1 4.31Å; V1376-L1395 HydrophobicContact CG2-CD1 3.64Å; V1376-F1398 HydrophobicContact CG1-CE2 3.93Å; V1376-F1398 HydrophobicContact CG1-CZ 4.35Å |
| 1377 | Q | 76.2 | Confident | 68.6 | Low | 63 Ų | 63 | 83 Ų | 83 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -92.8 | 144 | -175.4 | -167.1 | 173.2 | -4.8 | 0 | 0 | 112.5 | T1379 L1392 L1395 | Q1377-T1379 HydrophobicContact CG-CG2 4.4Å; Q1377-T1379 PolarHBondContact O-N 2.88Å; Q1377-L1392 HydrophobicContact CB-CB 4.25Å; Q1377-L1395 WeakPolarHBondContact O-CB 3.5Å; Q1377-L1395 PolarHBondContact O-N 3.5Å |
| 1378 | W | 65.8 | Low | 66.2 | Low | 57 Ų | 57 | 86.9 Ų | 86.9 | 22% | 0.216 | 47% | 0.471 | C | S | . | . | trans | -82 | 104.8 | 174.5 | -59.6 | 104.1 | 0 | 0 | 0 | 110.5 | S1332 F1380 L1395 H1426 T1430 | S1332-W1378 WeakPolarHBondContact OG-CZ2 3.26Å; W1378-F1380 HydrophobicContact CD2-CE2 4.42Å; W1378-F1380 AromaticContact CE3-CE2 3.41Å; W1378-F1380 HydrophobicContact CE3-CE2 3.41Å; W1378-F1380 VanDerWaalsContact CE3-CE2 3.41Å; W1378-F1380 AromaticContact CE3-CZ 3.67Å; W1378-F1380 HydrophobicContact CE3-CZ 3.67Å; W1378-F1380 AromaticContact CZ3-CE2 3.91Å; W1378-F1380 HydrophobicContact CZ3-CE2 3.91Å; W1378-F1380 AromaticContact CZ3-CZ 3.81Å; W1378-F1380 HydrophobicContact CZ3-CZ 3.81Å; W1378-L1395 HydrophobicContact CD2-CD2 4.14Å; W1378-L1395 HydrophobicContact CE3-CD2 3.31Å; W1378-L1395 HydrophobicContact CH2-CD2 4.17Å; W1378-L1395 HydrophobicContact CZ3-CD2 3.41Å; W1378-L1395 VanDerWaalsContact CZ3-CD2 3.41Å; W1378-H1426 HydrophobicContact CB-CB 4.47Å; W1378-H1426 HydrophobicContact CD2-CB 3.64Å; W1378-H1426 HydrophobicContact CE3-CB 3.49Å; W1378-H1426 VanDerWaalsContact CE3-CB 3.49Å; W1378-H1426 HydrophobicContact CG-CB 4.12Å; W1378-H1426 HydrophobicContact CH2-CB 4.11Å; W1378-H1426 HydrophobicContact CZ2-CB 4.34Å; W1378-H1426 HydrophobicContact CZ3-CB 3.65Å; W1378-H1426 WeakPolarHBondContact CZ3-O 3.49Å; W1378-T1430 WeakPolarHBondContact CZ3-OG1 3.23Å | ||
| 1379 | T | 58.5 | Low | 63.7 | Low | 42 Ų | 42 | 87 Ų | 87 | 26% | 0.258 | 48% | 0.477 | S | S | . | . | trans | -134 | 103.2 | 171.4 | 51.3 | 0 | 0 | 0 | 0 | 108.2 | Q1377 H1394 | Q1377-T1379 HydrophobicContact CG-CG2 4.4Å; Q1377-T1379 PolarHBondContact O-N 2.88Å; T1379-H1394 WeakPolarHBondContact OG1-CB 3.35Å; T1379-H1394 PolarHBondContact OG1-ND1 3.25Å | ||
| 1380 | F | 53.6 | Low | 61.2 | Low | 39 Ų | 39 | 86.3 Ų | 86.3 | 17% | 0.171 | 49% | 0.487 | C | S | . | . | trans | -107.7 | -19.3 | 176.2 | -65.5 | -82.7 | 0 | 0 | 0 | 112.7 | W1378 L1395 A1396 H1426 R1429 L1433 | W1378-F1380 HydrophobicContact CD2-CE2 4.42Å; W1378-F1380 AromaticContact CE3-CE2 3.41Å; W1378-F1380 HydrophobicContact CE3-CE2 3.41Å; W1378-F1380 VanDerWaalsContact CE3-CE2 3.41Å; W1378-F1380 AromaticContact CE3-CZ 3.67Å; W1378-F1380 HydrophobicContact CE3-CZ 3.67Å; W1378-F1380 AromaticContact CZ3-CE2 3.91Å; W1378-F1380 HydrophobicContact CZ3-CE2 3.91Å; W1378-F1380 AromaticContact CZ3-CZ 3.81Å; W1378-F1380 HydrophobicContact CZ3-CZ 3.81Å; F1380-L1395 HydrophobicContact CZ-CD2 4.49Å; F1380-A1396 HydrophobicContact CD1-CB 4.3Å; F1380-H1426 AromaticContact CD2-CE1 3.96Å; F1380-H1426 AromaticContact CD2-ND1 3.24Å; F1380-H1426 WeakPolarHBondContact CD2-ND1 3.02Å; F1380-H1426 HydrophobicContact CE2-CB 3.77Å; F1380-H1426 AromaticContact CE2-CG 3.86Å; F1380-H1426 AromaticContact CE2-ND1 3.37Å; F1380-H1426 WeakPolarHBondContact CE2-ND1 3.43Å; F1380-H1426 WeakPolarHBondContact CZ-O 3.48Å; F1380-R1429 HydrophobicContact CD1-CB 3.8Å; F1380-R1429 HydrophobicContact CD1-CG 4.41Å; F1380-R1429 HydrophobicContact CD2-CB 4.4Å; F1380-R1429 HydrophobicContact CE1-CB 3.39Å; F1380-R1429 HydrophobicContact CE1-CG 4.44Å; F1380-R1429 HydrophobicContact CE2-CB 4.01Å; F1380-R1429 HydrophobicContact CG-CB 4.29Å; F1380-R1429 HydrophobicContact CZ-CB 3.5Å; F1380-R1429 VanDerWaalsContact CZ-CB 3.5Å; F1380-L1433 HydrophobicContact CD1-CD1 4.28Å; F1380-L1433 HydrophobicContact CE1-CD1 3.84Å | ||
| 1381 | D | 49.2 | Very low | 59.1 | Low | 101 Ų | 101 | 92.5 Ų | 92.5 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | trans | -101.5 | 116.6 | -177.1 | -62.7 | -15.6 | 0 | 0 | 0 | 109 | T1383 R1429 | D1381-T1383 PolarHBondContact O-N 3Å; D1381-R1429 IonicContact OD1-CZ 3.6Å; D1381-R1429 IonicContact OD1-NH1 3.78Å; D1381-R1429 PolarHBondContact OD1-NH1 3.23Å; D1381-R1429 IonicContact OD1-NH2 2.74Å | ||
| 1382 | K | 41.7 | Very low | 56.9 | Low | 211 Ų | 211 | 95.8 Ų | 95.8 | 92% | 0.917 | 51% | 0.514 | S | S | * | . | trans | -78.4 | 11.8 | 174.3 | -75.9 | -171.3 | 175.6 | -177.9 | 0 | 113.4 | T1384 | K1382-T1384 PolarHBondContact O-N 3.47Š| ||
| 1383 | T | 38.7 | Very low | 55.2 | Low | 122 Ų | 122 | 96 Ų | 96 | 75% | 0.748 | 50% | 0.504 | S | S | * | . | trans | -85.9 | 2.4 | -167.8 | 32.3 | 0 | 0 | 0 | 0 | 115.8 | D1381 | D1381-T1383 PolarHBondContact O-N 3Š| ||
| 1384 | T | 36.4 | Very low | 54.1 | Low | 105 Ų | 105 | 98.6 Ų | 98.6 | 64% | 0.644 | 51% | 0.514 | S | S | * | . | trans | -119.6 | 109.8 | 167.3 | 22.3 | 0 | 0 | 0 | 0 | 110.2 | K1382 D1386 | K1382-T1384 PolarHBondContact O-N 3.47Å; T1384-D1386 PolarHBondContact O-N 3.47Å | ||
| 1385 | P | 41.1 | Very low | 53.4 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -67.1 | -11.2 | 178.5 | -20.4 | 32.3 | 0 | 0 | 0 | 115.1 | ||
| 1386 | D | 40.9 | Very low | 52.7 | Low | 150 Ų | 150 | 95 Ų | 95 | 80% | 0.802 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -94.6 | 0.8 | -165.8 | -72.4 | -24.9 | 0 | 0 | 0 | 116 | T1384 | T1384-D1386 PolarHBondContact O-N 3.47Š|
| 1387 | D | 40.6 | Very low | 52.3 | Low | 125 Ų | 125 | 100 Ų | 100 | 67% | 0.668 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -102.8 | 26 | 178.6 | -101.5 | -6 | 0 | 0 | 0 | 114.2 | N1389 | D1387-N1389 PolarHBondContact O-N 2.96Š|
| 1388 | I | 39 | Very low | 52.5 | Low | 138 Ų | 138 | 97.2 Ų | 97.2 | 71% | 0.708 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.9 | 176.9 | -61.3 | 173.8 | 0 | 0 | 0 | 112.5 | ||
| 1389 | N | 39.4 | Very low | 53.2 | Low | 160 Ų | 160 | 94.5 Ų | 94.5 | 86% | 0.856 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 10.5 | -176 | -74.8 | -19.7 | 0 | 0 | 0 | 115.6 | D1387 | D1387-N1389 PolarHBondContact O-N 2.96Š|
| 1390 | G | 41.9 | Very low | 53.8 | Low | 48 Ų | 48 | 94.4 Ų | 94.4 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | trans | -80.8 | 126.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1392 | G1390-L1392 PolarHBondContact O-N 3.02Š| ||
| 1391 | E | 44.9 | Very low | 54.9 | Low | 201 Ų | 201 | 97 Ų | 97 | 94% | 0.939 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -59 | -1 | 177.7 | -73.8 | -176.1 | 149 | 0 | 0 | 115.3 | ||
| 1392 | L | 45.6 | Very low | 56.3 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -99.7 | 127.1 | -175 | -66.8 | 169.2 | 0 | 0 | 0 | 111.7 | Q1377 G1390 | Q1377-L1392 HydrophobicContact CB-CB 4.25Å; G1390-L1392 PolarHBondContact O-N 3.02Å |
| 1393 | R | 55.1 | Low | 58.4 | Low | 154 Ų | 154 | 91.3 Ų | 91.3 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 145.2 | -178.2 | -66.6 | 176.4 | -172.9 | -173.3 | 4 | 112.7 | F1398 | R1393-F1398 HydrophobicContact CB-CD2 4.33Å; R1393-F1398 HydrophobicContact CB-CE2 3.31Å; R1393-F1398 HydrophobicContact CB-CZ 3.74Å; R1393-F1398 HydrophobicContact CG-CE2 4.36Å; R1393-F1398 HydrophobicContact CG-CZ 4.35Å |
| 1394 | H | 69 | Low | 60.8 | Low | 71 Ų | 71 | 85.7 Ų | 85.7 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -80.7 | 124.2 | -171.5 | -60.6 | -64.7 | 0 | 0 | 0 | 114 | T1379 A1396 E1397 F1398 | T1379-H1394 WeakPolarHBondContact OG1-CB 3.35Å; T1379-H1394 PolarHBondContact OG1-ND1 3.25Å; H1394-A1396 PolarHBondContact O-N 2.98Å; H1394-E1397 HydrophobicContact CB-CB 4.24Å; H1394-E1397 WeakPolarHBondContact O-CB 3.26Å; H1394-E1397 PolarHBondContact O-N 3.43Å; H1394-E1397 VanDerWaalsContact O-N 3.1Å; H1394-F1398 WeakPolarHBondContact O-CD2 3.47Å; H1394-F1398 PolarHBondContact O-N 2.87Å |
| 1395 | L | 75.5 | Confident | 63.5 | Low | 4 Ų | 4 | 82.8 Ų | 82.8 | 2% | 0.021 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -58.7 | -39.7 | -175.8 | -171 | 73 | 0 | 0 | 0 | 114.8 | L1330 V1376 Q1377 W1378 F1380 E1397 F1398 L1399 F1404 T1430 | L1330-L1395 HydrophobicContact CD1-CD1 3.78Å; L1330-L1395 HydrophobicContact CD2-CD1 3.7Å; L1330-L1395 HydrophobicContact CG-CD1 4.4Å; V1376-L1395 HydrophobicContact CB-CD1 4.31Å; V1376-L1395 HydrophobicContact CG2-CD1 3.64Å; Q1377-L1395 WeakPolarHBondContact O-CB 3.5Å; Q1377-L1395 PolarHBondContact O-N 3.5Å; W1378-L1395 HydrophobicContact CD2-CD2 4.14Å; W1378-L1395 HydrophobicContact CE3-CD2 3.31Å; W1378-L1395 HydrophobicContact CH2-CD2 4.17Å; W1378-L1395 HydrophobicContact CZ3-CD2 3.41Å; W1378-L1395 VanDerWaalsContact CZ3-CD2 3.41Å; F1380-L1395 HydrophobicContact CZ-CD2 4.49Å; L1395-E1397 PolarHBondContact O-N 3.15Å; L1395-F1398 PolarHBondContact O-N 3.07Å; L1395-L1399 HydrophobicContact CG-CD1 4.37Å; L1395-L1399 PolarHBondContact O-N 3.22Å; L1395-F1404 HydrophobicContact CD1-CE2 3.84Å; L1395-F1404 HydrophobicContact CD1-CZ 4.21Å; L1395-T1430 HydrophobicContact CD2-CG2 4.5Å; L1395-T1430 WeakPolarHBondContact CD2-OG1 3.39Å |
| 1396 | A | 71.1 | Confident | 66 | Low | 29 Ų | 29 | 78.2 Ų | 78.2 | 24% | 0.24 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1380 H1394 A1400 L1433 | F1380-A1396 HydrophobicContact CD1-CB 4.3Å; H1394-A1396 PolarHBondContact O-N 2.98Å; A1396-A1400 WeakPolarHBondContact O-CB 3.25Å; A1396-A1400 PolarHBondContact O-N 3.48Å; A1396-L1433 HydrophobicContact CB-CD1 4.29Å |
| 1397 | E | 74.6 | Confident | 68.5 | Low | 107 Ų | 107 | 71.1 Ų | 71.1 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.1 | -40.7 | 177.9 | -172 | 177.9 | -177.8 | 0 | 0 | 111.8 | H1394 L1395 L1399 A1400 N1401 | H1394-E1397 HydrophobicContact CB-CB 4.24Å; H1394-E1397 WeakPolarHBondContact O-CB 3.26Å; H1394-E1397 PolarHBondContact O-N 3.43Å; H1394-E1397 VanDerWaalsContact O-N 3.1Å; L1395-E1397 PolarHBondContact O-N 3.15Å; E1397-L1399 VanDerWaalsContact C-N 3.31Å; E1397-L1399 PolarHBondContact O-N 3.27Å; E1397-A1400 PolarHBondContact O-N 2.81Å; E1397-N1401 WeakPolarHBondContact CG-ND2 3.42Å; E1397-N1401 VanDerWaalsContact O-CB 3.27Å; E1397-N1401 WeakPolarHBondContact O-CB 3.44Å; E1397-N1401 PolarHBondContact O-N 3.48Å; E1397-N1401 PolarHBondContact O-ND2 3.09Å |
| 1398 | F | 79.7 | Confident | 71.1 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58 | -43.9 | 173 | -82 | -86.7 | 0 | 0 | 0 | 112.4 | Y1357 V1376 R1393 H1394 L1395 K1402 Q1403 F1404 | Y1357-F1398 HydrophobicContact CE1-CE1 4.15Å; Y1357-F1398 HydrophobicContact CE1-CZ 4.21Å; V1376-F1398 HydrophobicContact CG1-CE2 3.93Å; V1376-F1398 HydrophobicContact CG1-CZ 4.35Å; R1393-F1398 HydrophobicContact CB-CD2 4.33Å; R1393-F1398 HydrophobicContact CB-CE2 3.31Å; R1393-F1398 HydrophobicContact CB-CZ 3.74Å; R1393-F1398 HydrophobicContact CG-CE2 4.36Å; R1393-F1398 HydrophobicContact CG-CZ 4.35Å; H1394-F1398 WeakPolarHBondContact O-CD2 3.47Å; H1394-F1398 PolarHBondContact O-N 2.87Å; L1395-F1398 PolarHBondContact O-N 3.07Å; F1398-K1402 PolarHBondContact O-N 3Å; F1398-Q1403 HydrophobicContact CB-CB 4.49Å; F1398-Q1403 HydrophobicContact CD1-CB 3.77Å; F1398-Q1403 HydrophobicContact CD1-CG 4.43Å; F1398-Q1403 PolarHBondContact O-N 2.94Å; F1398-F1404 HydrophobicContact CB-CD2 3.98Å; F1398-F1404 HydrophobicContact CB-CE1 4.4Å; F1398-F1404 HydrophobicContact CB-CE2 3.29Å; F1398-F1404 HydrophobicContact CB-CZ 3.54Å; F1398-F1404 AromaticContact CD1-CE1 3.95Å; F1398-F1404 HydrophobicContact CD1-CE1 3.95Å; F1398-F1404 HydrophobicContact CD1-CE2 4.33Å; F1398-F1404 AromaticContact CD1-CZ 3.72Å; F1398-F1404 HydrophobicContact CD1-CZ 3.72Å; F1398-F1404 HydrophobicContact CD2-CZ 4.16Å; F1398-F1404 HydrophobicContact CE1-CE1 4.48Å; F1398-F1404 HydrophobicContact CE1-CZ 4.43Å; F1398-F1404 HydrophobicContact CG-CE1 4.29Å; F1398-F1404 AromaticContact CG-CE2 3.91Å; F1398-F1404 HydrophobicContact CG-CE2 3.91Å; F1398-F1404 AromaticContact CG-CZ 3.59Å; F1398-F1404 HydrophobicContact CG-CZ 3.59Å |
| 1399 | L | 80.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -46.9 | 178.5 | -71.1 | 166.1 | 0 | 0 | 0 | 110.9 | L1395 E1397 N1401 K1402 F1404 V1407 T1430 L1433 Y1437 I1439 | L1395-L1399 HydrophobicContact CG-CD1 4.37Å; L1395-L1399 PolarHBondContact O-N 3.22Å; E1397-L1399 VanDerWaalsContact C-N 3.31Å; E1397-L1399 PolarHBondContact O-N 3.27Å; L1399-N1401 VanDerWaalsContact C-N 3.3Å; L1399-N1401 PolarHBondContact O-N 2.85Å; L1399-K1402 PolarHBondContact O-N 3.04Å; L1399-F1404 HydrophobicContact CD2-CD2 3.89Å; L1399-F1404 HydrophobicContact CG-CD2 4.24Å; L1399-F1404 HydrophobicContact CG-CE2 4.46Å; L1399-V1407 HydrophobicContact CD2-CG2 4.03Å; L1399-T1430 HydrophobicContact CD1-CG2 4.14Å; L1399-L1433 HydrophobicContact CB-CB 4.42Å; L1399-L1433 HydrophobicContact CD1-CB 3.89Å; L1399-L1433 HydrophobicContact CD1-CD1 4.07Å; L1399-Y1437 HydrophobicContact CB-CD2 3.99Å; L1399-Y1437 HydrophobicContact CB-CE2 4.23Å; L1399-Y1437 WeakPolarHBondContact O-CD2 3.42Å; L1399-I1439 HydrophobicContact CB-CD1 4.44Å; L1399-I1439 HydrophobicContact CD2-CD1 3.68Å |
| 1400 | A | 72.1 | Confident | 76 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1396 E1397 K1402 Y1437 | A1396-A1400 WeakPolarHBondContact O-CB 3.25Å; A1396-A1400 PolarHBondContact O-N 3.48Å; E1397-A1400 PolarHBondContact O-N 2.81Å; A1400-K1402 VanDerWaalsContact C-N 3.25Å; A1400-K1402 PolarHBondContact O-N 3.23Å; A1400-Y1437 VanDerWaalsContact CA-CE2 3.49Å; A1400-Y1437 HydrophobicContact CB-CE1 4.31Å; A1400-Y1437 HydrophobicContact CB-CE2 3.96Å; A1400-Y1437 WeakPolarHBondContact CB-OH 3.47Å |
| 1401 | N | 77 | Confident | 77.6 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 49% | 0.492 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 5.1 | 176.4 | -68.7 | -24.7 | 0 | 0 | 0 | 113.7 | E1397 L1399 Q1403 | E1397-N1401 WeakPolarHBondContact CG-ND2 3.42Å; E1397-N1401 VanDerWaalsContact O-CB 3.27Å; E1397-N1401 WeakPolarHBondContact O-CB 3.44Å; E1397-N1401 PolarHBondContact O-N 3.48Å; E1397-N1401 PolarHBondContact O-ND2 3.09Å; L1399-N1401 VanDerWaalsContact C-N 3.3Å; L1399-N1401 PolarHBondContact O-N 2.85Å; N1401-Q1403 HydrophobicContact CB-CG 3.91Å; N1401-Q1403 PolarHBondContact O-N 3.17Å |
| 1402 | K | 77.8 | Confident | 78.6 | Confident | 104 Ų | 104 | 46.9 Ų | 46.9 | 45% | 0.452 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 40 | -178.1 | -59.7 | -177.3 | -178 | 176.5 | 0 | 113.5 | A593 F1398 L1399 A1400 F1404 Y1437 | A593-K1402 PolarHBondContact O-NZ 3.02Å; F1398-K1402 PolarHBondContact O-N 3Å; L1399-K1402 PolarHBondContact O-N 3.04Å; A1400-K1402 VanDerWaalsContact C-N 3.25Å; A1400-K1402 PolarHBondContact O-N 3.23Å; K1402-F1404 VanDerWaalsContact C-N 3.35Å; K1402-Y1437 WeakPolarHBondContact CE-O 3.41Å |
| 1403 | Q | 85.2 | Confident | 79 | Confident | 90 Ų | 90 | 46.8 Ų | 46.8 | 42% | 0.421 | 24% | 0.239 | S | C | . | . | trans | -83.3 | -10.3 | -179.4 | -69.6 | -174.5 | 0.2 | 0 | 0 | 113.7 | A1328 F1398 N1401 | A1328-Q1403 WeakPolarHBondContact CB-O 3.37Å; F1398-Q1403 HydrophobicContact CB-CB 4.49Å; F1398-Q1403 HydrophobicContact CD1-CB 3.77Å; F1398-Q1403 HydrophobicContact CD1-CG 4.43Å; F1398-Q1403 PolarHBondContact O-N 2.94Å; N1401-Q1403 HydrophobicContact CB-CG 3.91Å; N1401-Q1403 PolarHBondContact O-N 3.17Å | ||
| 1404 | F | 90.3 | Very high | 78.5 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | trans | -104.9 | 133.8 | 170.9 | -57.8 | -50.2 | 0 | 0 | 0 | 109.9 | A1328 L1330 Y1357 L1395 F1398 L1399 K1402 V1407 I1439 | A1328-F1404 HydrophobicContact CB-CD1 4.39Å; L1330-F1404 HydrophobicContact CB-CD1 4.05Å; L1330-F1404 HydrophobicContact CB-CD2 3.97Å; L1330-F1404 HydrophobicContact CB-CE1 4.22Å; L1330-F1404 HydrophobicContact CB-CE2 4.11Å; L1330-F1404 HydrophobicContact CB-CG 3.93Å; L1330-F1404 HydrophobicContact CB-CZ 4.25Å; L1330-F1404 HydrophobicContact CD1-CE2 4.21Å; L1330-F1404 HydrophobicContact CD1-CZ 4.04Å; L1330-F1404 HydrophobicContact CD2-CD2 3.99Å; L1330-F1404 HydrophobicContact CD2-CE2 3.81Å; L1330-F1404 HydrophobicContact CD2-CZ 4.47Å; L1330-F1404 HydrophobicContact CG-CD2 4.48Å; L1330-F1404 HydrophobicContact CG-CE2 4.26Å; L1330-F1404 HydrophobicContact CG-CZ 4.47Å; Y1357-F1404 HydrophobicContact CD1-CE1 4.24Å; Y1357-F1404 HydrophobicContact CD2-CD1 4.02Å; Y1357-F1404 AromaticContact CD2-CE1 3.5Å; Y1357-F1404 HydrophobicContact CD2-CE1 3.5Å; Y1357-F1404 HydrophobicContact CE2-CE1 4.08Å; Y1357-F1404 HydrophobicContact CG-CD1 4.48Å; Y1357-F1404 AromaticContact CG-CE1 3.57Å; Y1357-F1404 HydrophobicContact CG-CE1 3.57Å; Y1357-F1404 HydrophobicContact CG-CZ 4.32Å; L1395-F1404 HydrophobicContact CD1-CE2 3.84Å; L1395-F1404 HydrophobicContact CD1-CZ 4.21Å; F1398-F1404 HydrophobicContact CB-CD2 3.98Å; F1398-F1404 HydrophobicContact CB-CE1 4.4Å; F1398-F1404 HydrophobicContact CB-CE2 3.29Å; F1398-F1404 HydrophobicContact CB-CZ 3.54Å; F1398-F1404 AromaticContact CD1-CE1 3.95Å; F1398-F1404 HydrophobicContact CD1-CE1 3.95Å; F1398-F1404 HydrophobicContact CD1-CE2 4.33Å; F1398-F1404 AromaticContact CD1-CZ 3.72Å; F1398-F1404 HydrophobicContact CD1-CZ 3.72Å; F1398-F1404 HydrophobicContact CD2-CZ 4.16Å; F1398-F1404 HydrophobicContact CE1-CE1 4.48Å; F1398-F1404 HydrophobicContact CE1-CZ 4.43Å; F1398-F1404 HydrophobicContact CG-CE1 4.29Å; F1398-F1404 AromaticContact CG-CE2 3.91Å; F1398-F1404 HydrophobicContact CG-CE2 3.91Å; F1398-F1404 AromaticContact CG-CZ 3.59Å; F1398-F1404 HydrophobicContact CG-CZ 3.59Å; L1399-F1404 HydrophobicContact CD2-CD2 3.89Å; L1399-F1404 HydrophobicContact CG-CD2 4.24Å; L1399-F1404 HydrophobicContact CG-CE2 4.46Å; K1402-F1404 VanDerWaalsContact C-N 3.35Å; F1404-V1407 HydrophobicContact CB-CG2 4.48Å; F1404-I1439 VanDerWaalsContact O-CG2 3.32Å; F1404-I1439 WeakPolarHBondContact O-CG2 3.5Å | ||
| 1405 | D | 91.8 | Very high | 76.9 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -93.5 | -18.1 | 175.8 | -57.5 | -49.2 | 0 | 0 | 0 | 112.2 | P1325 K1326 N1327 A1328 P1440 | P1325-D1405 HydrophobicContact CB-CB 3.69Å; K1326-D1405 PolarHBondContact N-OD2 3.23Å; N1327-D1405 WeakPolarHBondContact CA-OD2 3.25Å; N1327-D1405 WeakPolarHBondContact CB-OD2 3.4Å; N1327-D1405 PolarHBondContact N-OD2 2.93Å; A1328-D1405 PolarHBondContact N-OD2 3.49Å; A1328-D1405 VanDerWaalsContact N-OD2 3.13Å; A1328-D1405 PolarHBondContact O-N 2.88Å; D1405-P1440 VanDerWaalsContact O-CD 3.28Å; D1405-P1440 WeakPolarHBondContact O-CD 3.23Å; D1405-P1440 VanDerWaalsContact O-CG 3.32Å; D1405-P1440 WeakPolarHBondContact O-CG 3.38Å |
| 1406 | L | 94.4 | Very high | 75 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 137.3 | 175.8 | 173.7 | 66.4 | 0 | 0 | 0 | 110.5 | F1322 P1325 A1328 V1329 L1330 I1408 P1440 V1442 L1451 | F1322-L1406 HydrophobicContact CE2-CD1 3.97Å; F1322-L1406 HydrophobicContact CZ-CD1 4.25Å; P1325-L1406 HydrophobicContact CB-CB 3.91Å; P1325-L1406 HydrophobicContact CG-CB 4.13Å; P1325-L1406 HydrophobicContact CG-CD2 4.13Å; A1328-L1406 PolarHBondContact O-N 2.63Å; V1329-L1406 CarbonylContact C-O 3.45Å; V1329-L1406 WeakPolarHBondContact CA-O 3.3Å; V1329-L1406 HydrophobicContact CG1-CB 4.2Å; V1329-L1406 HydrophobicContact CG1-CD2 4.03Å; V1329-L1406 HydrophobicContact CG1-CG 4.11Å; V1329-L1406 HydrophobicContact CG2-CB 4.2Å; V1329-L1406 HydrophobicContact CG2-CD2 4.37Å; L1330-L1406 PolarHBondContact N-O 3.45Å; L1406-I1408 HydrophobicContact CD2-CD1 4.2Å; L1406-I1408 HydrophobicContact CD2-CG1 4.24Å; L1406-I1408 HydrophobicContact CG-CG1 4.26Å; L1406-P1440 HydrophobicContact CD1-CB 3.98Å; L1406-V1442 HydrophobicContact CD1-CG2 4.19Å; L1406-L1451 HydrophobicContact CD2-CD2 4.38Å |
| 1407 | V | 94.1 | Very high | 73.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.6 | 171.9 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | L1330 L1399 F1404 N1409 T1430 A1434 I1439 P1440 L1441 V1442 | L1330-V1407 HydrophobicContact CB-CG2 4.25Å; L1330-V1407 HydrophobicContact CD2-CG1 4.02Å; L1330-V1407 HydrophobicContact CD2-CG2 4.15Å; L1399-V1407 HydrophobicContact CD2-CG2 4.03Å; F1404-V1407 HydrophobicContact CB-CG2 4.48Å; V1407-N1409 HydrophobicContact CG1-CB 4.17Å; V1407-T1430 HydrophobicContact CG1-CG2 4.05Å; V1407-A1434 HydrophobicContact CB-CB 4.4Å; V1407-A1434 HydrophobicContact CG2-CB 4.16Å; V1407-I1439 HydrophobicContact CG2-CG2 3.86Å; V1407-P1440 PolarHBondContact N-O 2.84Å; V1407-L1441 HydrophobicContact CB-CD1 4.06Å; V1407-L1441 HydrophobicContact CG1-CD1 3.84Å; V1407-L1441 WeakPolarHBondContact O-CA 3.19Å; V1407-V1442 PolarHBondContact O-N 3.04Å |
| 1408 | I | 94.7 | Very high | 71.9 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 105.8 | 170.1 | -61.8 | 167.4 | 0 | 0 | 0 | 107.3 | V1329 L1330 L1331 S1332 L1349 L1406 L1410 T1448 | V1329-I1408 HydrophobicContact CG1-CD1 4.14Å; L1330-I1408 PolarHBondContact O-N 2.86Å; L1331-I1408 HydrophobicContact CD2-CB 4.03Å; L1331-I1408 HydrophobicContact CD2-CD1 3.75Å; L1331-I1408 HydrophobicContact CD2-CG1 4.34Å; S1332-I1408 PolarHBondContact N-O 3Å; L1349-I1408 HydrophobicContact CD1-CD1 4.13Å; L1406-I1408 HydrophobicContact CD2-CD1 4.2Å; L1406-I1408 HydrophobicContact CD2-CG1 4.24Å; L1406-I1408 HydrophobicContact CG-CG1 4.26Å; I1408-L1410 HydrophobicContact CG2-CD2 4.45Å; I1408-L1410 HydrophobicContact CG2-CG 4.33Å; I1408-T1448 HydrophobicContact CD1-CG2 3.81Å; I1408-T1448 HydrophobicContact CG1-CG2 4.39Å; I1408-T1448 HydrophobicContact CG2-CG2 4.05Å |
| 1409 | N | 92.3 | Very high | 70 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 93.3 | -176.7 | -170.1 | -64.2 | 0 | 0 | 0 | 110.5 | S1332 V1407 P1411 R1431 L1441 V1442 T1443 | S1332-N1409 CarbonylContact O-C 3.58Å; S1332-N1409 WeakPolarHBondContact O-CA 3.49Å; V1407-N1409 HydrophobicContact CG1-CB 4.17Å; N1409-P1411 WeakPolarHBondContact O-CD 3.49Å; N1409-R1431 HydrophobicContact CB-CG 3.88Å; N1409-R1431 PolarHBondContact OD1-NH1 2.97Å; N1409-L1441 HydrophobicContact CB-CD1 4.04Å; N1409-V1442 PolarHBondContact N-O 3.02Å; N1409-T1443 WeakPolarHBondContact O-CA 3.37Å |
| 1410 | L | 88.8 | Confident | 68.2 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.3 | 178.9 | -56.8 | -169.5 | 0 | 0 | 0 | 110.3 | S1332 I1333 G1334 H1338 L1342 I1408 T1443 D1444 V1445 | S1332-L1410 PolarHBondContact O-N 3.48Å; I1333-L1410 HydrophobicContact CG1-CG 4.44Å; I1333-L1410 HydrophobicContact CG2-CB 4.35Å; I1333-L1410 HydrophobicContact CG2-CD1 4.17Å; G1334-L1410 PolarHBondContact N-O 2.78Å; H1338-L1410 HydrophobicContact CB-CD1 3.98Å; L1342-L1410 HydrophobicContact CD1-CD1 3.45Å; L1342-L1410 VanDerWaalsContact CD1-CD1 3.45Å; L1342-L1410 HydrophobicContact CD1-CG 4.44Å; I1408-L1410 HydrophobicContact CG2-CD2 4.45Å; I1408-L1410 HydrophobicContact CG2-CG 4.33Å; L1410-T1443 WeakPolarHBondContact CD2-O 3.37Å; L1410-D1444 VanDerWaalsContact CD2-C 3.46Å; L1410-V1445 HydrophobicContact CD1-CB 3.84Å; L1410-V1445 HydrophobicContact CD1-CG2 4.05Å |
| 1411 | P | 75.1 | Confident | 66.6 | Low | 29 Ų | 29 | 63.6 Ų | 63.6 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | trans | -69.8 | 157.9 | -177.4 | 29.4 | -35.2 | 0 | 0 | 0 | 113.1 | Q1291 N1409 S1413 | Q1291-P1411 HydrophobicContact CG-CG 4.14Å; N1409-P1411 WeakPolarHBondContact O-CD 3.49Å; P1411-S1413 PolarHBondContact O-N 2.99Å | ||
| 1412 | M | 66.3 | Low | 64.7 | Low | 126 Ų | 126 | 62 Ų | 62 | 62% | 0.621 | 38% | 0.378 | S | S | * | . | trans | -78.9 | 112.7 | 168.2 | -78.8 | 178.9 | 42.4 | 0 | 0 | 109.8 | G1414 | M1412-G1414 PolarHBondContact O-N 3.4Š| ||
| 1413 | S | 53 | Low | 63.1 | Low | 74 Ų | 74 | 64.6 Ų | 64.6 | 52% | 0.517 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -82.4 | -1.7 | -178.4 | 32.4 | 0 | 0 | 0 | 0 | 115.2 | Y1116 P1411 | Y1116-S1413 WeakPolarHBondContact CE1-O 3.48Å; P1411-S1413 PolarHBondContact O-N 2.99Å |
| 1414 | G | 44.9 | Very low | 61.6 | Low | 72 Ų | 72 | 65.6 Ų | 65.6 | 74% | 0.742 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -138.9 | 9.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | M1412 | M1412-G1414 PolarHBondContact O-N 3.4Š|
| 1415 | G | 34.9 | Very low | 60.5 | Low | 35 Ų | 35 | 68.1 Ų | 68.1 | 36% | 0.361 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -101 | 146 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A1417 | G1415-A1417 PolarHBondContact O-N 2.85Š|
| 1416 | G | 36.5 | Very low | 59.6 | Low | 80 Ų | 80 | 70.2 Ų | 70.2 | 83% | 0.825 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -57.9 | 25.8 | 178 | 0 | 0 | 0 | 0 | 0 | 117.2 | R1418 | G1416-R1418 PolarHBondContact O-N 3.06Š|
| 1417 | A | 36.8 | Very low | 58.9 | Low | 73 Ų | 73 | 70.8 Ų | 70.8 | 60% | 0.603 | 43% | 0.425 | S | S | * | . | trans | -72.6 | -0 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1415 R1419 | G1415-A1417 PolarHBondContact O-N 2.85Å; A1417-R1419 PolarHBondContact O-N 2.88Å; A1417-R1419 VanDerWaalsContact O-N 3.16Å | ||
| 1418 | R | 43.5 | Very low | 58.2 | Low | 110 Ų | 110 | 71.9 Ų | 71.9 | 42% | 0.415 | 43% | 0.43 | S | S | . | . | trans | -78.7 | 28.2 | 171.3 | -110.9 | -169.2 | -171.1 | -171.2 | 8.3 | 113.7 | V1114 Y1116 Y1124 G1416 V1420 | V1114-R1418 PolarHBondContact O-NH1 2.86Å; Y1116-R1418 VanDerWaalsContact CE2-NH1 3.35Å; Y1124-R1418 PolarHBondContact OH-NH1 2.59Å; Y1124-R1418 VanDerWaalsContact OH-NH1 3.08Å; G1416-R1418 PolarHBondContact O-N 3.06Å; R1418-V1420 VanDerWaalsContact C-N 3.28Å; R1418-V1420 PolarHBondContact O-N 3.44Å | ||
| 1419 | R | 39.7 | Very low | 57.5 | Low | 182 Ų | 182 | 74.5 Ų | 74.5 | 69% | 0.687 | 44% | 0.44 | S | S | * | . | trans | -61.4 | 98.2 | 161.2 | -77.4 | -170.9 | -175.5 | -179.9 | 2 | 107.4 | A1417 S1421 S1422 | A1417-R1419 PolarHBondContact O-N 2.88Å; A1417-R1419 VanDerWaalsContact O-N 3.16Å; R1419-S1421 PolarHBondContact O-N 2.94Å; R1419-S1422 PolarHBondContact O-N 3.21Å | ||
| 1420 | V | 42.3 | Very low | 57.2 | Low | 98 Ų | 98 | 74.4 Ų | 74.4 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -23.5 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | R1418 | R1418-V1420 VanDerWaalsContact C-N 3.28Å; R1418-V1420 PolarHBondContact O-N 3.44Å |
| 1421 | S | 38.2 | Very low | 57.2 | Low | 113 Ų | 113 | 74.4 Ų | 74.4 | 79% | 0.79 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -11.8 | -174.5 | 57.8 | 0 | 0 | 0 | 0 | 118.6 | R1419 | R1419-S1421 PolarHBondContact O-N 2.94Š|
| 1422 | S | 38.9 | Very low | 57.6 | Low | 60 Ų | 60 | 74 Ų | 74 | 42% | 0.42 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.8 | 9.6 | -161.1 | 50.7 | 0 | 0 | 0 | 0 | 123.2 | R1419 | R1419-S1422 PolarHBondContact O-N 3.21Š|
| 1423 | F | 43.1 | Very low | 58.5 | Low | 158 Ų | 158 | 69.7 Ų | 69.7 | 69% | 0.693 | 41% | 0.413 | S | S | * | . | trans | -139 | 118.5 | 168.7 | -107.3 | -91.2 | 0 | 0 | 0 | 114.6 | T1425 | F1423-T1425 PolarHBondContact O-N 2.98Å; F1423-T1425 VanDerWaalsContact O-N 3.12Å | ||
| 1424 | M | 53 | Low | 60.1 | Low | 111 Ų | 111 | 66.1 Ų | 66.1 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | trans | -69.3 | 96.1 | 157.2 | -68.2 | -171.8 | -151.2 | 0 | 0 | 107.6 | Y1428 R1429 | M1424-Y1428 HydrophobicContact CB-CD1 4.48Å; M1424-R1429 HydrophobicContact CB-CG 4.36Å; M1424-R1429 PolarHBondContact SD-NE 3.34Å; M1424-R1429 VanDerWaalsContact SD-NE 3.36Å; M1424-R1429 PolarHBondContact SD-NH2 3.08Å | ||
| 1425 | T | 67.8 | Low | 62.1 | Low | 56 Ų | 56 | 63.8 Ų | 63.8 | 34% | 0.344 | 36% | 0.359 | S | S | . | . | trans | -63.6 | 147.4 | 173.2 | 63.2 | 0 | 0 | 0 | 0 | 109.8 | F1423 G1427 Y1428 R1429 | F1423-T1425 PolarHBondContact O-N 2.98Å; F1423-T1425 VanDerWaalsContact O-N 3.12Å; T1425-G1427 PolarHBondContact O-N 3.22Å; T1425-Y1428 WeakPolarHBondContact O-CB 3.33Å; T1425-Y1428 PolarHBondContact O-N 3.21Å; T1425-Y1428 VanDerWaalsContact O-N 3.08Å; T1425-Y1428 WeakPolarHBondContact OG1-CB 3.4Å; T1425-Y1428 PolarHBondContact OG1-N 3.43Å; T1425-R1429 PolarHBondContact O-N 3.47Å; T1425-R1429 VanDerWaalsContact O-N 3.14Å | ||
| 1426 | H | 73.4 | Confident | 64.1 | Low | 89 Ų | 89 | 63.7 Ų | 63.7 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53.3 | -41 | 172.8 | -71.8 | -37 | 0 | 0 | 0 | 112.1 | W1378 F1380 Y1428 R1429 T1430 | W1378-H1426 HydrophobicContact CB-CB 4.47Å; W1378-H1426 HydrophobicContact CD2-CB 3.64Å; W1378-H1426 HydrophobicContact CE3-CB 3.49Å; W1378-H1426 VanDerWaalsContact CE3-CB 3.49Å; W1378-H1426 HydrophobicContact CG-CB 4.12Å; W1378-H1426 HydrophobicContact CH2-CB 4.11Å; W1378-H1426 HydrophobicContact CZ2-CB 4.34Å; W1378-H1426 HydrophobicContact CZ3-CB 3.65Å; W1378-H1426 WeakPolarHBondContact CZ3-O 3.49Å; F1380-H1426 AromaticContact CD2-CE1 3.96Å; F1380-H1426 AromaticContact CD2-ND1 3.24Å; F1380-H1426 WeakPolarHBondContact CD2-ND1 3.02Å; F1380-H1426 HydrophobicContact CE2-CB 3.77Å; F1380-H1426 AromaticContact CE2-CG 3.86Å; F1380-H1426 AromaticContact CE2-ND1 3.37Å; F1380-H1426 WeakPolarHBondContact CE2-ND1 3.43Å; F1380-H1426 WeakPolarHBondContact CZ-O 3.48Å; H1426-Y1428 PolarHBondContact O-N 3.39Å; H1426-R1429 PolarHBondContact O-N 2.68Å; H1426-T1430 PolarHBondContact O-N 3.07Å |
| 1427 | G | 79 | Confident | 66.2 | Low | 13 Ų | 13 | 62.3 Ų | 62.3 | 13% | 0.134 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1425 T1430 R1431 | T1425-G1427 PolarHBondContact O-N 3.22Å; G1427-T1430 PolarHBondContact O-N 2.93Å; G1427-R1431 WeakPolarHBondContact O-CG 3.33Å; G1427-R1431 PolarHBondContact O-N 2.96Å; G1427-R1431 VanDerWaalsContact O-N 3.07Å; G1427-R1431 PolarHBondContact O-NH1 3.25Å |
| 1428 | Y | 80.4 | Confident | 68.3 | Low | 23 Ų | 23 | 62.7 Ų | 62.7 | 9% | 0.09 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 173.6 | 162.7 | -95 | 0 | 0 | 0 | 111.5 | R761 G1287 D1289 M1424 T1425 H1426 T1430 R1431 R1432 | R761-Y1428 VanDerWaalsContact NH1-CE2 3.3Å; R761-Y1428 VanDerWaalsContact NH1-CZ 3.3Å; G1287-Y1428 PolarHBondContact O-OH 3.31Å; D1289-Y1428 HydrophobicContact CB-CD2 4.1Å; D1289-Y1428 HydrophobicContact CB-CE2 4.17Å; M1424-Y1428 HydrophobicContact CB-CD1 4.48Å; T1425-Y1428 WeakPolarHBondContact O-CB 3.33Å; T1425-Y1428 PolarHBondContact O-N 3.21Å; T1425-Y1428 VanDerWaalsContact O-N 3.08Å; T1425-Y1428 WeakPolarHBondContact OG1-CB 3.4Å; T1425-Y1428 PolarHBondContact OG1-N 3.43Å; H1426-Y1428 PolarHBondContact O-N 3.39Å; Y1428-T1430 VanDerWaalsContact C-N 3.29Å; Y1428-T1430 PolarHBondContact O-N 3.41Å; Y1428-R1431 PolarHBondContact O-N 3.34Å; Y1428-R1432 WeakPolarHBondContact O-CB 3.31Å; Y1428-R1432 PolarHBondContact O-N 3.17Å |
| 1429 | R | 80.1 | Confident | 70.4 | Confident | 56 Ų | 56 | 58 Ų | 58 | 21% | 0.211 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 179.3 | -70 | -173 | 177.6 | 177.4 | 1.5 | 111.2 | F1380 D1381 M1424 T1425 H1426 R1432 L1433 | F1380-R1429 HydrophobicContact CD1-CB 3.8Å; F1380-R1429 HydrophobicContact CD1-CG 4.41Å; F1380-R1429 HydrophobicContact CD2-CB 4.4Å; F1380-R1429 HydrophobicContact CE1-CB 3.39Å; F1380-R1429 HydrophobicContact CE1-CG 4.44Å; F1380-R1429 HydrophobicContact CE2-CB 4.01Å; F1380-R1429 HydrophobicContact CG-CB 4.29Å; F1380-R1429 HydrophobicContact CZ-CB 3.5Å; F1380-R1429 VanDerWaalsContact CZ-CB 3.5Å; D1381-R1429 IonicContact OD1-CZ 3.6Å; D1381-R1429 IonicContact OD1-NH1 3.78Å; D1381-R1429 PolarHBondContact OD1-NH1 3.23Å; D1381-R1429 IonicContact OD1-NH2 2.74Å; M1424-R1429 HydrophobicContact CB-CG 4.36Å; M1424-R1429 PolarHBondContact SD-NE 3.34Å; M1424-R1429 VanDerWaalsContact SD-NE 3.36Å; M1424-R1429 PolarHBondContact SD-NH2 3.08Å; T1425-R1429 PolarHBondContact O-N 3.47Å; T1425-R1429 VanDerWaalsContact O-N 3.14Å; H1426-R1429 PolarHBondContact O-N 2.68Å; R1429-R1432 PolarHBondContact O-N 3.39Å; R1429-L1433 WeakPolarHBondContact O-CB 3.33Å; R1429-L1433 VanDerWaalsContact O-CG 3.29Å; R1429-L1433 WeakPolarHBondContact O-CG 3.49Å; R1429-L1433 PolarHBondContact O-N 3.33Å |
| 1430 | T | 85.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 175.6 | -75.5 | 0 | 0 | 0 | 0 | 114 | L1330 W1378 L1395 L1399 V1407 H1426 G1427 Y1428 R1432 L1433 A1434 | L1330-T1430 HydrophobicContact CD2-CG2 4.07Å; W1378-T1430 WeakPolarHBondContact CZ3-OG1 3.23Å; L1395-T1430 HydrophobicContact CD2-CG2 4.5Å; L1395-T1430 WeakPolarHBondContact CD2-OG1 3.39Å; L1399-T1430 HydrophobicContact CD1-CG2 4.14Å; V1407-T1430 HydrophobicContact CG1-CG2 4.05Å; H1426-T1430 PolarHBondContact O-N 3.07Å; G1427-T1430 PolarHBondContact O-N 2.93Å; Y1428-T1430 VanDerWaalsContact C-N 3.29Å; Y1428-T1430 PolarHBondContact O-N 3.41Å; T1430-R1432 VanDerWaalsContact C-N 3.31Å; T1430-R1432 PolarHBondContact O-N 2.92Å; T1430-L1433 PolarHBondContact O-N 2.83Å; T1430-A1434 WeakPolarHBondContact O-CB 3.25Å; T1430-A1434 PolarHBondContact O-N 3.45Å |
| 1431 | R | 88.3 | Confident | 75.3 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.1 | -70.6 | -169.8 | -60.6 | -81.1 | 0.2 | 111.4 | D1289 V1290 N1409 G1427 Y1428 A1434 V1435 L1441 T1443 | D1289-R1431 IonicContact OD1-CZ 3.63Å; D1289-R1431 IonicContact OD1-NE 3.96Å; D1289-R1431 PolarHBondContact OD1-NE 3.48Å; D1289-R1431 IonicContact OD1-NH2 3.49Å; D1289-R1431 PolarHBondContact OD1-NH2 2.99Å; D1289-R1431 IonicContact OD2-NH2 3.98Å; D1289-R1431 PolarHBondContact OD2-NH2 3.43Å; V1290-R1431 HydrophobicContact CG2-CB 4.38Å; N1409-R1431 HydrophobicContact CB-CG 3.88Å; N1409-R1431 PolarHBondContact OD1-NH1 2.97Å; G1427-R1431 WeakPolarHBondContact O-CG 3.33Å; G1427-R1431 PolarHBondContact O-N 2.96Å; G1427-R1431 VanDerWaalsContact O-N 3.07Å; G1427-R1431 PolarHBondContact O-NH1 3.25Å; Y1428-R1431 PolarHBondContact O-N 3.34Å; R1431-A1434 PolarHBondContact O-N 3.36Å; R1431-V1435 WeakPolarHBondContact O-CG2 3.49Å; R1431-V1435 PolarHBondContact O-N 3.49Å; R1431-L1441 HydrophobicContact CB-CD2 3.88Å; R1431-L1441 HydrophobicContact CG-CD1 4.18Å; R1431-L1441 HydrophobicContact CG-CD2 4Å; R1431-T1443 HydrophobicContact CG-CG2 4.37Å |
| 1432 | R | 84.9 | Confident | 77.9 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.8 | -51.7 | 177.9 | -170.1 | 61.5 | -97.2 | 173.6 | -11.2 | 111.4 | F1282 L1285 A1288 Y1428 R1429 T1430 A1434 V1435 D1436 | F1282-R1432 PolarHBondContact O-NH1 2.96Å; F1282-R1432 PolarHBondContact O-NH2 3.03Å; L1285-R1432 PolarHBondContact O-NH1 3.44Å; A1288-R1432 PolarHBondContact O-NH1 3.45Å; A1288-R1432 VanDerWaalsContact O-NH1 3.12Å; Y1428-R1432 WeakPolarHBondContact O-CB 3.31Å; Y1428-R1432 PolarHBondContact O-N 3.17Å; R1429-R1432 PolarHBondContact O-N 3.39Å; T1430-R1432 VanDerWaalsContact C-N 3.31Å; T1430-R1432 PolarHBondContact O-N 2.92Å; R1432-A1434 VanDerWaalsContact C-N 3.32Å; R1432-A1434 PolarHBondContact O-N 3.16Å; R1432-V1435 PolarHBondContact O-N 2.91Å; R1432-D1436 WeakPolarHBondContact CG-OD2 3.42Å; R1432-D1436 IonicContact CZ-OD1 2.81Å; R1432-D1436 IonicContact NE-OD1 2.71Å; R1432-D1436 PolarHBondContact NE-OD1 2.84Å; R1432-D1436 IonicContact NE-OD2 3.39Å; R1432-D1436 PolarHBondContact NE-OD2 3.45Å; R1432-D1436 IonicContact NH2-OD1 3.6Å; R1432-D1436 PolarHBondContact NH2-OD1 3.18Å; R1432-D1436 WeakPolarHBondContact O-CB 3.35Å; R1432-D1436 PolarHBondContact O-N 2.99Å; R1432-D1436 VanDerWaalsContact O-OD2 3.13Å |
| 1433 | L | 84.2 | Confident | 80.4 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -37.6 | 176.3 | -69.4 | 177.1 | 0 | 0 | 0 | 112.5 | F1380 A1396 L1399 R1429 T1430 D1436 Y1437 | F1380-L1433 HydrophobicContact CD1-CD1 4.28Å; F1380-L1433 HydrophobicContact CE1-CD1 3.84Å; A1396-L1433 HydrophobicContact CB-CD1 4.29Å; L1399-L1433 HydrophobicContact CB-CB 4.42Å; L1399-L1433 HydrophobicContact CD1-CB 3.89Å; L1399-L1433 HydrophobicContact CD1-CD1 4.07Å; R1429-L1433 WeakPolarHBondContact O-CB 3.33Å; R1429-L1433 VanDerWaalsContact O-CG 3.29Å; R1429-L1433 WeakPolarHBondContact O-CG 3.49Å; R1429-L1433 PolarHBondContact O-N 3.33Å; T1430-L1433 PolarHBondContact O-N 2.83Å; L1433-D1436 PolarHBondContact O-N 3.03Å; L1433-Y1437 HydrophobicContact CB-CD2 4.13Å; L1433-Y1437 HydrophobicContact CB-CE2 4.09Å; L1433-Y1437 HydrophobicContact CD2-CE2 3.8Å; L1433-Y1437 HydrophobicContact CG-CE2 4.4Å; L1433-Y1437 WeakPolarHBondContact O-CB 3.45Å; L1433-Y1437 WeakPolarHBondContact O-CD2 3.33Å; L1433-Y1437 PolarHBondContact O-N 2.96Å |
| 1434 | A | 87.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1407 T1430 R1431 R1432 S1438 I1439 L1441 | V1407-A1434 HydrophobicContact CB-CB 4.4Å; V1407-A1434 HydrophobicContact CG2-CB 4.16Å; T1430-A1434 WeakPolarHBondContact O-CB 3.25Å; T1430-A1434 PolarHBondContact O-N 3.45Å; R1431-A1434 PolarHBondContact O-N 3.36Å; R1432-A1434 VanDerWaalsContact C-N 3.32Å; R1432-A1434 PolarHBondContact O-N 3.16Å; A1434-S1438 PolarHBondContact O-N 3.25Å; A1434-S1438 VanDerWaalsContact O-N 3.13Å; A1434-I1439 HydrophobicContact CB-CB 4.4Å; A1434-I1439 PolarHBondContact O-N 3.05Å; A1434-L1441 HydrophobicContact CB-CB 4.43Å |
| 1435 | V | 85.3 | Confident | 84.6 | Confident | 23 Ų | 23 | 29.7 Ų | 29.7 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | F1282 V1290 R1431 R1432 Y1437 S1438 L1441 | F1282-V1435 HydrophobicContact CB-CG1 4.01Å; V1290-V1435 HydrophobicContact CG2-CG2 3.6Å; R1431-V1435 WeakPolarHBondContact O-CG2 3.49Å; R1431-V1435 PolarHBondContact O-N 3.49Å; R1432-V1435 PolarHBondContact O-N 2.91Å; V1435-Y1437 VanDerWaalsContact C-N 3.35Å; V1435-Y1437 PolarHBondContact O-N 3.2Å; V1435-S1438 PolarHBondContact O-N 2.66Å; V1435-S1438 VanDerWaalsContact O-N 3.08Å; V1435-L1441 HydrophobicContact CG2-CD2 4.03Å |
| 1436 | D | 77.9 | Confident | 85.8 | Confident | 33 Ų | 33 | 29.8 Ų | 29.8 | 18% | 0.176 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | -179.8 | -64.1 | -23.1 | 0 | 0 | 0 | 111.2 | H594 R1432 L1433 S1438 | H594-D1436 PolarHBondContact CE1-O 3.48Å; H594-D1436 PolarHBondContact ND1-O 3.42Å; H594-D1436 PolarHBondContact NE2-O 2.98Å; R1432-D1436 WeakPolarHBondContact CG-OD2 3.42Å; R1432-D1436 IonicContact CZ-OD1 2.81Å; R1432-D1436 IonicContact NE-OD1 2.71Å; R1432-D1436 PolarHBondContact NE-OD1 2.84Å; R1432-D1436 IonicContact NE-OD2 3.39Å; R1432-D1436 PolarHBondContact NE-OD2 3.45Å; R1432-D1436 IonicContact NH2-OD1 3.6Å; R1432-D1436 PolarHBondContact NH2-OD1 3.18Å; R1432-D1436 WeakPolarHBondContact O-CB 3.35Å; R1432-D1436 PolarHBondContact O-N 2.99Å; R1432-D1436 VanDerWaalsContact O-OD2 3.13Å; L1433-D1436 PolarHBondContact O-N 3.03Å; D1436-S1438 VanDerWaalsContact C-N 3.26Å; D1436-S1438 PolarHBondContact O-N 3.49Å |
| 1437 | Y | 80.3 | Confident | 86.8 | Confident | 51 Ų | 51 | 26 Ų | 26 | 20% | 0.2 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 4.8 | 176 | -63.4 | -56.6 | 0 | 0 | 0 | 114.3 | A593 L1399 A1400 K1402 L1433 V1435 I1439 | A593-Y1437 HydrophobicContact CB-CD1 3.81Å; A593-Y1437 HydrophobicContact CB-CE1 3.61Å; L1399-Y1437 HydrophobicContact CB-CD2 3.99Å; L1399-Y1437 HydrophobicContact CB-CE2 4.23Å; L1399-Y1437 WeakPolarHBondContact O-CD2 3.42Å; A1400-Y1437 VanDerWaalsContact CA-CE2 3.49Å; A1400-Y1437 HydrophobicContact CB-CE1 4.31Å; A1400-Y1437 HydrophobicContact CB-CE2 3.96Å; A1400-Y1437 WeakPolarHBondContact CB-OH 3.47Å; K1402-Y1437 WeakPolarHBondContact CE-O 3.41Å; L1433-Y1437 HydrophobicContact CB-CD2 4.13Å; L1433-Y1437 HydrophobicContact CB-CE2 4.09Å; L1433-Y1437 HydrophobicContact CD2-CE2 3.8Å; L1433-Y1437 HydrophobicContact CG-CE2 4.4Å; L1433-Y1437 WeakPolarHBondContact O-CB 3.45Å; L1433-Y1437 WeakPolarHBondContact O-CD2 3.33Å; L1433-Y1437 PolarHBondContact O-N 2.96Å; V1435-Y1437 VanDerWaalsContact C-N 3.35Å; V1435-Y1437 PolarHBondContact O-N 3.2Å; Y1437-I1439 VanDerWaalsContact C-N 3.25Å; Y1437-I1439 PolarHBondContact O-N 3.09Å |
| 1438 | S | 80.9 | Confident | 87.6 | Confident | 81 Ų | 81 | 25.3 Ų | 25.3 | 57% | 0.566 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 35.5 | -177.9 | -52.7 | 0 | 0 | 0 | 0 | 113.7 | A1434 V1435 D1436 | A1434-S1438 PolarHBondContact O-N 3.25Å; A1434-S1438 VanDerWaalsContact O-N 3.13Å; V1435-S1438 PolarHBondContact O-N 2.66Å; V1435-S1438 VanDerWaalsContact O-N 3.08Å; D1436-S1438 VanDerWaalsContact C-N 3.26Å; D1436-S1438 PolarHBondContact O-N 3.49Å |
| 1439 | I | 88.2 | Confident | 88.3 | Confident | 11 Ų | 11 | 27.5 Ų | 27.5 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | trans | -87.5 | 128 | 173.8 | -59 | 171.3 | 0 | 0 | 0 | 108.2 | L1399 F1404 V1407 A1434 Y1437 L1441 | L1399-I1439 HydrophobicContact CB-CD1 4.44Å; L1399-I1439 HydrophobicContact CD2-CD1 3.68Å; F1404-I1439 VanDerWaalsContact O-CG2 3.32Å; F1404-I1439 WeakPolarHBondContact O-CG2 3.5Å; V1407-I1439 HydrophobicContact CG2-CG2 3.86Å; A1434-I1439 HydrophobicContact CB-CB 4.4Å; A1434-I1439 PolarHBondContact O-N 3.05Å; Y1437-I1439 VanDerWaalsContact C-N 3.25Å; Y1437-I1439 PolarHBondContact O-N 3.09Å; I1439-L1441 PolarHBondContact O-N 3.32Å | ||
| 1440 | P | 91.7 | Very high | 89 | Confident | 20 Ų | 20 | 25.3 Ų | 25.3 | 13% | 0.13 | 13% | 0.134 | C | C | . | . | trans | -49.4 | 131.4 | 175.8 | -29.6 | 35.1 | 0 | 0 | 0 | 112.9 | F1322 Q1323 D1405 L1406 V1407 | F1322-P1440 HydrophobicContact CD2-CB 3.87Å; F1322-P1440 HydrophobicContact CE2-CB 3.7Å; F1322-P1440 HydrophobicContact CZ-CB 4.45Å; Q1323-P1440 HydrophobicContact CB-CG 4.18Å; D1405-P1440 VanDerWaalsContact O-CD 3.28Å; D1405-P1440 WeakPolarHBondContact O-CD 3.23Å; D1405-P1440 VanDerWaalsContact O-CG 3.32Å; D1405-P1440 WeakPolarHBondContact O-CG 3.38Å; L1406-P1440 HydrophobicContact CD1-CB 3.98Å; V1407-P1440 PolarHBondContact N-O 2.84Å | ||
| 1441 | L | 92.4 | Very high | 89.5 | Confident | 33 Ų | 33 | 25.4 Ų | 25.4 | 17% | 0.173 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.3 | -174.8 | 173 | 64.2 | 0 | 0 | 0 | 110.7 | V1290 V1407 N1409 R1431 A1434 V1435 I1439 T1443 | V1290-L1441 HydrophobicContact CB-CD2 4.08Å; V1290-L1441 HydrophobicContact CG1-CD2 3.85Å; V1290-L1441 HydrophobicContact CG2-CD2 4.12Å; V1407-L1441 HydrophobicContact CB-CD1 4.06Å; V1407-L1441 HydrophobicContact CG1-CD1 3.84Å; V1407-L1441 WeakPolarHBondContact O-CA 3.19Å; N1409-L1441 HydrophobicContact CB-CD1 4.04Å; R1431-L1441 HydrophobicContact CB-CD2 3.88Å; R1431-L1441 HydrophobicContact CG-CD1 4.18Å; R1431-L1441 HydrophobicContact CG-CD2 4Å; A1434-L1441 HydrophobicContact CB-CB 4.43Å; V1435-L1441 HydrophobicContact CG2-CD2 4.03Å; I1439-L1441 PolarHBondContact O-N 3.32Å; L1441-T1443 HydrophobicContact CD1-CG2 4.05Å; L1441-T1443 HydrophobicContact CD2-CG2 4.05Å; L1441-T1443 HydrophobicContact CG-CG2 3.91Å |
| 1442 | V | 93.3 | Very high | 89.8 | Confident | 9 Ų | 9 | 25.3 Ų | 25.3 | 6% | 0.055 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.7 | 170.1 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | L1406 V1407 N1409 C1447 T1448 L1451 | L1406-V1442 HydrophobicContact CD1-CG2 4.19Å; V1407-V1442 PolarHBondContact O-N 3.04Å; N1409-V1442 PolarHBondContact N-O 3.02Å; V1442-C1447 HydrophobicContact CG1-CB 4.23Å; V1442-T1448 VanDerWaalsContact CG1-OG1 3.31Å; V1442-T1448 WeakPolarHBondContact CG1-OG1 3.42Å; V1442-L1451 HydrophobicContact CG2-CD2 3.75Å |
| 1443 | T | 91 | Very high | 90.3 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 18% | 0.178 | 14% | 0.144 | C | C | . | . | trans | -117.9 | -3.7 | -174.5 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | V1290 N1409 L1410 R1431 L1441 | V1290-T1443 HydrophobicContact CG1-CG2 4.38Å; V1290-T1443 PolarHBondContact O-OG1 2.85Å; N1409-T1443 WeakPolarHBondContact O-CA 3.37Å; L1410-T1443 WeakPolarHBondContact CD2-O 3.37Å; R1431-T1443 HydrophobicContact CG-CG2 4.37Å; L1441-T1443 HydrophobicContact CD1-CG2 4.05Å; L1441-T1443 HydrophobicContact CD2-CG2 4.05Å; L1441-T1443 HydrophobicContact CG-CG2 3.91Å | ||
| 1444 | D | 92.2 | Very high | 90.8 | Very high | 33 Ų | 33 | 25.5 Ų | 25.5 | 18% | 0.176 | 14% | 0.135 | C | C | . | . | trans | -113.9 | 143 | 177.9 | -179.1 | -96 | 0 | 0 | 0 | 113 | E1170 L1410 K1446 C1447 T1448 | E1170-D1444 HydrophobicContact CG-CB 4.43Å; L1410-D1444 VanDerWaalsContact CD2-C 3.46Å; D1444-K1446 WeakPolarHBondContact OD1-CA 3.45Å; D1444-K1446 WeakPolarHBondContact OD1-CB 3.37Å; D1444-K1446 PolarHBondContact OD1-N 3.4Å; D1444-C1447 HydrophobicContact CB-CB 4.2Å; D1444-C1447 PolarHBondContact OD1-N 3.35Å; D1444-T1448 WeakPolarHBondContact O-CB 3.46Å; D1444-T1448 PolarHBondContact O-N 3.32Å; D1444-T1448 PolarHBondContact O-OG1 3.11Å | ||
| 1445 | V | 92.6 | Very high | 91 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.4 | -39.3 | -176.3 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | E1341 L1342 L1410 K1449 | E1341-V1445 HydrophobicContact CG-CG2 4.33Å; L1342-V1445 HydrophobicContact CD1-CG2 4.24Å; L1342-V1445 HydrophobicContact CD2-CG2 3.94Å; L1342-V1445 HydrophobicContact CG-CG2 3.84Å; L1410-V1445 HydrophobicContact CD1-CB 3.84Å; L1410-V1445 HydrophobicContact CD1-CG2 4.05Å; V1445-K1449 WeakPolarHBondContact O-CG 3.48Å; V1445-K1449 PolarHBondContact O-N 3.31Å |
| 1446 | K | 93.8 | Very high | 91.3 | Very high | 58 Ų | 58 | 29.6 Ų | 29.6 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -75.3 | -41.3 | -179 | -58.7 | -60.8 | -175.4 | -172 | 0 | 110.8 | V1169 N1171 E1341 D1444 T1448 K1449 L1450 | V1169-K1446 HydrophobicContact CG1-CB 4.17Å; V1169-K1446 WeakPolarHBondContact O-CB 3.35Å; V1169-K1446 WeakPolarHBondContact O-CG 3.17Å; N1171-K1446 WeakPolarHBondContact OD1-CE 3.34Å; E1341-K1446 IonicContact OE1-NZ 2.63Å; E1341-K1446 PolarHBondContact OE1-NZ 2.62Å; E1341-K1446 IonicContact OE2-NZ 3.59Å; D1444-K1446 WeakPolarHBondContact OD1-CA 3.45Å; D1444-K1446 WeakPolarHBondContact OD1-CB 3.37Å; D1444-K1446 PolarHBondContact OD1-N 3.4Å; K1446-T1448 VanDerWaalsContact C-N 3.29Å; K1446-T1448 PolarHBondContact O-N 3.32Å; K1446-K1449 WeakPolarHBondContact O-CB 3.46Å; K1446-K1449 PolarHBondContact O-N 2.98Å; K1446-K1449 VanDerWaalsContact O-N 3.14Å; K1446-L1450 PolarHBondContact O-N 3.5Å |
| 1447 | C | 94.4 | Very high | 91.8 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.1 | -37.7 | 173 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | E1170 V1442 D1444 K1449 L1450 L1451 | E1170-C1447 PolarHBondContact OE1-SG 3.12Å; V1442-C1447 HydrophobicContact CG1-CB 4.23Å; D1444-C1447 HydrophobicContact CB-CB 4.2Å; D1444-C1447 PolarHBondContact OD1-N 3.35Å; C1447-K1449 VanDerWaalsContact C-N 3.35Å; C1447-K1449 PolarHBondContact O-N 2.97Å; C1447-L1450 PolarHBondContact O-N 3.49Å; C1447-L1451 VanDerWaalsContact O-CB 3.24Å; C1447-L1451 WeakPolarHBondContact O-CB 3.3Å; C1447-L1451 PolarHBondContact O-N 3.47Å |
| 1448 | T | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 173.2 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | L1342 I1408 V1442 D1444 K1446 L1451 V1452 | L1342-T1448 HydrophobicContact CD1-CG2 4.17Å; L1342-T1448 HydrophobicContact CD2-CG2 3.76Å; I1408-T1448 HydrophobicContact CD1-CG2 3.81Å; I1408-T1448 HydrophobicContact CG1-CG2 4.39Å; I1408-T1448 HydrophobicContact CG2-CG2 4.05Å; V1442-T1448 VanDerWaalsContact CG1-OG1 3.31Å; V1442-T1448 WeakPolarHBondContact CG1-OG1 3.42Å; D1444-T1448 WeakPolarHBondContact O-CB 3.46Å; D1444-T1448 PolarHBondContact O-N 3.32Å; D1444-T1448 PolarHBondContact O-OG1 3.11Å; K1446-T1448 VanDerWaalsContact C-N 3.29Å; K1446-T1448 PolarHBondContact O-N 3.32Å; T1448-L1451 PolarHBondContact O-N 3.13Å; T1448-V1452 WeakPolarHBondContact O-CG2 3.23Å; T1448-V1452 PolarHBondContact O-N 3.44Å |
| 1449 | K | 95.4 | Very high | 91.9 | Very high | 69 Ų | 69 | 32.3 Ų | 32.3 | 30% | 0.3 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.8 | -48.9 | 178.8 | -67.8 | 167.9 | 73.9 | -177.5 | 0 | 111.4 | E1341 L1342 V1445 K1446 C1447 L1451 V1452 E1453 | E1341-K1449 HydrophobicContact CG-CD 4.16Å; E1341-K1449 IonicContact OE1-NZ 3.4Å; E1341-K1449 PolarHBondContact OE1-NZ 3.06Å; L1342-K1449 HydrophobicContact CD2-CD 4.44Å; L1342-K1449 HydrophobicContact CD2-CG 3.68Å; V1445-K1449 WeakPolarHBondContact O-CG 3.48Å; V1445-K1449 PolarHBondContact O-N 3.31Å; K1446-K1449 WeakPolarHBondContact O-CB 3.46Å; K1446-K1449 PolarHBondContact O-N 2.98Å; K1446-K1449 VanDerWaalsContact O-N 3.14Å; C1447-K1449 VanDerWaalsContact C-N 3.35Å; C1447-K1449 PolarHBondContact O-N 2.97Å; K1449-L1451 VanDerWaalsContact C-N 3.34Å; K1449-L1451 PolarHBondContact O-N 2.97Å; K1449-V1452 PolarHBondContact O-N 3.39Å; K1449-E1453 WeakPolarHBondContact O-CB 3.34Å; K1449-E1453 PolarHBondContact O-N 2.94Å |
| 1450 | L | 95.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 179.5 | -176.2 | 61.7 | 0 | 0 | 0 | 111.3 | V1169 R1309 Y1310 Y1313 K1446 C1447 E1453 S1454 | V1169-L1450 HydrophobicContact CB-CD2 4.45Å; V1169-L1450 HydrophobicContact CG1-CB 4.27Å; V1169-L1450 HydrophobicContact CG1-CD2 3.82Å; V1169-L1450 HydrophobicContact CG2-CD2 3.72Å; R1309-L1450 HydrophobicContact CG-CD1 4.43Å; Y1310-L1450 HydrophobicContact CD1-CD1 3.69Å; Y1310-L1450 HydrophobicContact CE1-CD1 3.82Å; Y1313-L1450 HydrophobicContact CD1-CB 4.47Å; Y1313-L1450 HydrophobicContact CD1-CD2 3.87Å; Y1313-L1450 HydrophobicContact CD1-CG 3.66Å; Y1313-L1450 HydrophobicContact CD2-CD2 3.62Å; Y1313-L1450 HydrophobicContact CD2-CG 4.35Å; Y1313-L1450 HydrophobicContact CE1-CB 4.3Å; Y1313-L1450 HydrophobicContact CE1-CD2 4.18Å; Y1313-L1450 HydrophobicContact CE1-CG 3.96Å; Y1313-L1450 HydrophobicContact CE2-CD2 3.96Å; Y1313-L1450 HydrophobicContact CG-CD2 3.56Å; Y1313-L1450 HydrophobicContact CG-CG 3.86Å; K1446-L1450 PolarHBondContact O-N 3.5Å; C1447-L1450 PolarHBondContact O-N 3.49Å; L1450-E1453 PolarHBondContact O-N 3.31Å; L1450-S1454 VanDerWaalsContact O-CB 3.27Å; L1450-S1454 WeakPolarHBondContact O-CB 3.27Å; L1450-S1454 PolarHBondContact O-N 2.95Å; L1450-S1454 PolarHBondContact O-OG 2.97Å; L1450-S1454 VanDerWaalsContact O-OG 3.12Å |
| 1451 | L | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.7 | -51.8 | 176.5 | 177.5 | 63.3 | 0 | 0 | 0 | 112.3 | Y1313 L1314 F1322 L1406 V1442 C1447 T1448 K1449 E1453 S1454 M1455 | Y1313-L1451 HydrophobicContact CE1-CB 3.92Å; Y1313-L1451 HydrophobicContact CE1-CD1 4.27Å; L1314-L1451 HydrophobicContact CD1-CD1 4.34Å; F1322-L1451 HydrophobicContact CE1-CD1 3.89Å; F1322-L1451 HydrophobicContact CE2-CD2 4.06Å; F1322-L1451 HydrophobicContact CZ-CD1 3.8Å; F1322-L1451 HydrophobicContact CZ-CD2 3.68Å; F1322-L1451 HydrophobicContact CZ-CG 4.36Å; L1406-L1451 HydrophobicContact CD2-CD2 4.38Å; V1442-L1451 HydrophobicContact CG2-CD2 3.75Å; C1447-L1451 VanDerWaalsContact O-CB 3.24Å; C1447-L1451 WeakPolarHBondContact O-CB 3.3Å; C1447-L1451 PolarHBondContact O-N 3.47Å; T1448-L1451 PolarHBondContact O-N 3.13Å; K1449-L1451 VanDerWaalsContact C-N 3.34Å; K1449-L1451 PolarHBondContact O-N 2.97Å; L1451-E1453 VanDerWaalsContact C-N 3.31Å; L1451-E1453 PolarHBondContact O-N 3.32Å; L1451-S1454 PolarHBondContact O-N 3.48Å; L1451-M1455 HydrophobicContact CD1-CG 4.17Å; L1451-M1455 HydrophobicContact CD1-SD 3.93Å; L1451-M1455 HydrophobicContact CG-SD 3.87Å; L1451-M1455 VanDerWaalsContact O-CG 3.25Å; L1451-M1455 WeakPolarHBondContact O-CG 3.19Å; L1451-M1455 PolarHBondContact O-N 3.33Å |
| 1452 | V | 94.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | -179.8 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | S1345 D1348 L1349 T1448 K1449 M1455 R1456 | S1345-V1452 WeakPolarHBondContact O-CG1 3.45Å; D1348-V1452 HydrophobicContact CB-CG1 3.96Å; L1349-V1452 HydrophobicContact CD1-CG2 3.84Å; L1349-V1452 HydrophobicContact CD2-CG1 4.32Å; L1349-V1452 HydrophobicContact CD2-CG2 3.92Å; L1349-V1452 HydrophobicContact CG-CG1 4.05Å; L1349-V1452 HydrophobicContact CG-CG2 3.72Å; T1448-V1452 WeakPolarHBondContact O-CG2 3.23Å; T1448-V1452 PolarHBondContact O-N 3.44Å; K1449-V1452 PolarHBondContact O-N 3.39Å; V1452-M1455 PolarHBondContact O-N 2.83Å; V1452-R1456 WeakPolarHBondContact O-CB 3.34Å; V1452-R1456 PolarHBondContact O-N 3.05Å |
| 1453 | E | 93.8 | Very high | 91.2 | Very high | 61 Ų | 61 | 39.2 Ų | 39.2 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 177.9 | -171.9 | 165.9 | -155.4 | 0 | 0 | 112 | Y1310 K1449 L1450 L1451 M1455 R1456 M1457 | Y1310-E1453 HydrophobicContact CD1-CB 4.43Å; Y1310-E1453 HydrophobicContact CD1-CG 3.99Å; Y1310-E1453 HydrophobicContact CE1-CB 4.34Å; Y1310-E1453 VanDerWaalsContact CE1-CD 3.42Å; Y1310-E1453 HydrophobicContact CE1-CG 3.69Å; Y1310-E1453 WeakPolarHBondContact CE1-OE2 3.27Å; K1449-E1453 WeakPolarHBondContact O-CB 3.34Å; K1449-E1453 PolarHBondContact O-N 2.94Å; L1450-E1453 PolarHBondContact O-N 3.31Å; L1451-E1453 VanDerWaalsContact C-N 3.31Å; L1451-E1453 PolarHBondContact O-N 3.32Å; E1453-M1455 PolarHBondContact O-N 2.97Å; E1453-R1456 PolarHBondContact O-N 3.19Å; E1453-R1456 IonicContact OE1-NH2 2.76Å; E1453-M1457 HydrophobicContact CG-CG 4.37Å; E1453-M1457 WeakPolarHBondContact O-CB 3.31Å; E1453-M1457 VanDerWaalsContact O-CG 3.23Å; E1453-M1457 WeakPolarHBondContact O-CG 3.44Å; E1453-M1457 PolarHBondContact O-N 3.23Å |
| 1454 | S | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 173.5 | -76.8 | 0 | 0 | 0 | 0 | 112.8 | Y1310 L1450 L1451 N1458 | Y1310-S1454 VanDerWaalsContact CA-OG 3.22Å; Y1310-S1454 WeakPolarHBondContact CA-OG 3.3Å; Y1310-S1454 WeakPolarHBondContact O-CB 3.49Å; Y1310-S1454 PolarHBondContact O-OG 3.42Å; L1450-S1454 VanDerWaalsContact O-CB 3.27Å; L1450-S1454 WeakPolarHBondContact O-CB 3.27Å; L1450-S1454 PolarHBondContact O-N 2.95Å; L1450-S1454 PolarHBondContact O-OG 2.97Å; L1450-S1454 VanDerWaalsContact O-OG 3.12Å; L1451-S1454 PolarHBondContact O-N 3.48Å; S1454-N1458 WeakPolarHBondContact O-CB 3.27Å; S1454-N1458 PolarHBondContact O-N 3.18Å; S1454-N1458 VanDerWaalsContact O-N 3.1Å; S1454-N1458 PolarHBondContact O-ND2 2.73Å |
| 1455 | M | 93.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 177.6 | -68.3 | 169.5 | 55.6 | 0 | 0 | 111.5 | L1314 I1324 P1325 L1349 M1352 Y1354 L1451 V1452 E1453 G1459 | L1314-M1455 HydrophobicContact CD1-CG 4.41Å; I1324-M1455 HydrophobicContact CG2-CE 4.39Å; P1325-M1455 HydrophobicContact CG-CE 3.53Å; P1325-M1455 HydrophobicContact CG-SD 4.35Å; L1349-M1455 HydrophobicContact CD2-CE 4.49Å; M1352-M1455 HydrophobicContact CE-CB 3.84Å; M1352-M1455 HydrophobicContact CE-CE 4.38Å; Y1354-M1455 HydrophobicContact CE2-CE 3.75Å; Y1354-M1455 WeakPolarHBondContact OH-CE 3.07Å; L1451-M1455 HydrophobicContact CD1-CG 4.17Å; L1451-M1455 HydrophobicContact CD1-SD 3.93Å; L1451-M1455 HydrophobicContact CG-SD 3.87Å; L1451-M1455 VanDerWaalsContact O-CG 3.25Å; L1451-M1455 WeakPolarHBondContact O-CG 3.19Å; L1451-M1455 PolarHBondContact O-N 3.33Å; V1452-M1455 PolarHBondContact O-N 2.83Å; E1453-M1455 PolarHBondContact O-N 2.97Å; M1455-G1459 PolarHBondContact O-N 3.45Å |
| 1456 | R | 91.8 | Very high | 90.4 | Very high | 104 Ų | 104 | 41 Ų | 41 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.8 | -174.3 | -175.6 | 61.8 | 67.1 | 2.4 | 112.2 | D1348 M1352 V1452 E1453 | D1348-R1456 IonicContact OD2-NE 3.18Å; M1352-R1456 HydrophobicContact SD-CB 4.15Å; V1452-R1456 WeakPolarHBondContact O-CB 3.34Å; V1452-R1456 PolarHBondContact O-N 3.05Å; E1453-R1456 PolarHBondContact O-N 3.19Å; E1453-R1456 IonicContact OE1-NH2 2.76Å |
| 1457 | M | 87.7 | Confident | 89.7 | Confident | 102 Ų | 102 | 44.1 Ų | 44.1 | 50% | 0.502 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -74.7 | -35 | -176.3 | -68.1 | -73.3 | -87.8 | 0 | 0 | 112.9 | E1453 | E1453-M1457 HydrophobicContact CG-CG 4.37Å; E1453-M1457 WeakPolarHBondContact O-CB 3.31Å; E1453-M1457 VanDerWaalsContact O-CG 3.23Å; E1453-M1457 WeakPolarHBondContact O-CG 3.44Å; E1453-M1457 PolarHBondContact O-N 3.23Å |
| 1458 | N | 85.2 | Confident | 89.4 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -91.5 | -21.7 | -178.2 | -68.4 | -74.2 | 0 | 0 | 0 | 113.8 | L1314 S1454 G1460 P1462 | L1314-N1458 HydrophobicContact CD2-CB 4.09Å; S1454-N1458 WeakPolarHBondContact O-CB 3.27Å; S1454-N1458 PolarHBondContact O-N 3.18Å; S1454-N1458 VanDerWaalsContact O-N 3.1Å; S1454-N1458 PolarHBondContact O-ND2 2.73Å; N1458-G1460 PolarHBondContact O-N 2.96Å; N1458-P1462 HydrophobicContact CB-CG 4.2Å |
| 1459 | G | 78.6 | Confident | 89.3 | Confident | 71 Ų | 71 | 43.9 Ų | 43.9 | 73% | 0.732 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 66.2 | 4.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | M1455 | M1455-G1459 PolarHBondContact O-N 3.45Š|
| 1460 | G | 82.9 | Confident | 89 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 164 | -153.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1458 P1462 | N1458-G1460 PolarHBondContact O-N 2.96Å; G1460-P1462 WeakPolarHBondContact O-CD 3.37Å |
| 1461 | K | 87.8 | Confident | 88.8 | Confident | 109 Ų | 109 | 41.6 Ų | 41.6 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -69.9 | 121.9 | 173.6 | -63 | -178 | -179.6 | -178 | 0 | 109.2 | M1318 I1324 | M1318-K1461 HydrophobicContact CE-CB 4.38Å; M1318-K1461 HydrophobicContact CE-CD 3.88Å; M1318-K1461 HydrophobicContact CE-CG 3.78Å; M1318-K1461 HydrophobicContact SD-CG 4.44Å; I1324-K1461 HydrophobicContact CD1-CG 3.95Å |
| 1462 | P | 91.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 138.3 | 177.1 | -21.8 | 32.2 | 0 | 0 | 0 | 111.2 | Y469 E1311 L1314 K1315 N1458 G1460 | Y469-P1462 VanDerWaalsContact CE1-O 3.23Å; Y469-P1462 WeakPolarHBondContact CE1-O 3.46Å; Y469-P1462 PolarHBondContact OH-O 3.39Å; E1311-P1462 HydrophobicContact CG-CB 4Å; L1314-P1462 HydrophobicContact CB-CG 4.17Å; L1314-P1462 HydrophobicContact CD2-CG 3.83Å; L1314-P1462 HydrophobicContact CG-CG 4.18Å; K1315-P1462 HydrophobicContact CG-CB 4.31Å; K1315-P1462 HydrophobicContact CG-CG 4.29Å; N1458-P1462 HydrophobicContact CB-CG 4.2Å; G1460-P1462 WeakPolarHBondContact O-CD 3.37Å |
| 1463 | P | 88 | Confident | 87.4 | Confident | 78 Ų | 78 | 45.4 Ų | 45.4 | 51% | 0.506 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 152.6 | 177 | 29.7 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 1464 | M | 90.5 | Very high | 86.7 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 14% | 0.143 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -69 | 135.9 | 170.6 | 179 | -173.4 | 80.9 | 0 | 0 | 110.9 | Y461 L463 Q472 V473 S476 D1469 | Y461-M1464 HydrophobicContact CD1-SD 4.05Å; Y461-M1464 HydrophobicContact CE1-CE 4.44Å; Y461-M1464 HydrophobicContact CE1-CG 4.4Å; Y461-M1464 HydrophobicContact CE1-SD 3.71Å; L463-M1464 HydrophobicContact CD1-CB 4.32Å; L463-M1464 HydrophobicContact CD1-CG 3.67Å; L463-M1464 HydrophobicContact CD1-SD 3.74Å; Q472-M1464 HydrophobicContact CB-CB 4.18Å; Q472-M1464 HydrophobicContact CB-CE 4.2Å; Q472-M1464 HydrophobicContact CB-SD 4.15Å; Q472-M1464 WeakPolarHBondContact O-CE 3.43Å; V473-M1464 HydrophobicContact CB-SD 4.31Å; V473-M1464 HydrophobicContact CG2-SD 3.44Å; V473-M1464 WeakPolarHBondContact CG2-SD 3.15Å; S476-M1464 VanDerWaalsContact CB-CE 3.47Å; M1464-D1469 WeakPolarHBondContact CA-OD2 3.27Å |
| 1465 | K | 86.8 | Confident | 85.9 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 22% | 0.222 | 28% | 0.277 | C | S | . | . | trans | -123.1 | 107.9 | 172.8 | -63.7 | 172.5 | -171.7 | 170 | 0 | 108.8 | D1307 E1311 H1467 T1468 D1469 | D1307-K1465 IonicContact OD1-NZ 2.81Å; D1307-K1465 IonicContact OD2-NZ 3.82Å; D1307-K1465 PolarHBondContact OD2-NZ 3.35Å; E1311-K1465 VanDerWaalsContact CD-NZ 3.33Å; E1311-K1465 VanDerWaalsContact OE1-CE 3.32Å; E1311-K1465 WeakPolarHBondContact OE1-CE 3.48Å; E1311-K1465 IonicContact OE1-NZ 3.86Å; E1311-K1465 PolarHBondContact OE1-NZ 3.06Å; E1311-K1465 IonicContact OE2-NZ 2.68Å; E1311-K1465 PolarHBondContact OE2-NZ 3.41Å; K1465-H1467 VanDerWaalsContact C-N 3.27Å; K1465-H1467 PolarHBondContact O-N 3.48Å; K1465-H1467 VanDerWaalsContact O-N 3.15Å; K1465-T1468 PolarHBondContact O-N 2.78Å; K1465-T1468 VanDerWaalsContact O-N 3.08Å; K1465-D1469 PolarHBondContact N-OD2 3.12Å; K1465-D1469 WeakPolarHBondContact O-CB 3.2Å; K1465-D1469 PolarHBondContact O-N 3.23Å | ||
| 1466 | T | 82.6 | Confident | 85.3 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.3 | -37.2 | -174.7 | -55.4 | 0 | 0 | 0 | 0 | 114 | Y461 S476 C1470 R1800 | Y461-T1466 HydrophobicContact CE1-CG2 4.36Å; Y461-T1466 WeakPolarHBondContact OH-CG2 3.36Å; S476-T1466 PolarHBondContact OG-OG1 2.82Å; T1466-C1470 HydrophobicContact CG2-CB 4.39Å; T1466-C1470 WeakPolarHBondContact O-CB 3.42Å; T1466-C1470 PolarHBondContact O-N 3.13Å; T1466-R1800 PolarHBondContact OG1-NH1 3.43Å |
| 1467 | H | 78.8 | Confident | 84.9 | Confident | 122 Ų | 122 | 51.5 Ų | 51.5 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -75.1 | -24.9 | -178.3 | 56.7 | -81.2 | 0 | 0 | 0 | 113.6 | K1465 | K1465-H1467 VanDerWaalsContact C-N 3.27Å; K1465-H1467 PolarHBondContact O-N 3.48Å; K1465-H1467 VanDerWaalsContact O-N 3.15Å |
| 1468 | T | 87.5 | Confident | 84.8 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -94.7 | -46.1 | -179.9 | -51.5 | 0 | 0 | 0 | 0 | 110.7 | K1272 F1305 G1306 D1307 K1465 | K1272-T1468 HydrophobicContact CB-CG2 4.19Å; F1305-T1468 HydrophobicContact CB-CG2 4.08Å; F1305-T1468 WeakPolarHBondContact CB-O 3.02Å; F1305-T1468 WeakPolarHBondContact CD2-O 3.38Å; G1306-T1468 VanDerWaalsContact C-CG2 3.45Å; D1307-T1468 PolarHBondContact OD1-OG1 3.01Å; K1465-T1468 PolarHBondContact O-N 2.78Å; K1465-T1468 VanDerWaalsContact O-N 3.08Å |
| 1469 | D | 92.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -84.9 | -14.4 | -171.1 | -63.4 | -41.2 | 0 | 0 | 0 | 114.1 | Y461 F462 L463 F1305 K1315 M1464 K1465 | Y461-D1469 WeakPolarHBondContact CA-O 3.19Å; Y461-D1469 HydrophobicContact CD1-CB 4.46Å; F462-D1469 PolarHBondContact N-O 3.21Å; L463-D1469 HydrophobicContact CD1-CB 4.39Å; L463-D1469 HydrophobicContact CD2-CB 3.9Å; L463-D1469 HydrophobicContact CG-CB 4.11Å; F1305-D1469 VanDerWaalsContact O-OD1 3.13Å; K1315-D1469 IonicContact NZ-OD1 2.98Å; K1315-D1469 PolarHBondContact NZ-OD1 3.14Å; K1315-D1469 IonicContact NZ-OD2 2.72Å; K1315-D1469 PolarHBondContact NZ-OD2 2.82Å; M1464-D1469 WeakPolarHBondContact CA-OD2 3.27Å; K1465-D1469 PolarHBondContact N-OD2 3.12Å; K1465-D1469 WeakPolarHBondContact O-CB 3.2Å; K1465-D1469 PolarHBondContact O-N 3.23Å |
| 1470 | C | 90.6 | Very high | 85.8 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.3 | -178.2 | -168.3 | 0 | 0 | 0 | 0 | 111.7 | C460 Y461 T1466 | C460-C1470 CarbonylContact O-C 3.4Å; C460-C1470 VanDerWaalsContact O-CA 3.29Å; C460-C1470 WeakPolarHBondContact O-CA 3.15Å; Y461-C1470 HydrophobicContact CD1-CB 3.96Å; Y461-C1470 HydrophobicContact CD2-CB 4.44Å; Y461-C1470 HydrophobicContact CE1-CB 3.8Å; Y461-C1470 HydrophobicContact CE2-CB 4.26Å; Y461-C1470 HydrophobicContact CG-CB 4.3Å; T1466-C1470 HydrophobicContact CG2-CB 4.39Å; T1466-C1470 WeakPolarHBondContact O-CB 3.42Å; T1466-C1470 PolarHBondContact O-N 3.13Å |
| 1471 | M | 89.6 | Confident | 86.3 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.069 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.8 | 157 | -71.5 | 176.8 | 65.6 | 0 | 0 | 109.3 | K454 K459 C460 F462 K1242 F1305 | K454-M1471 HydrophobicContact CB-CE 4.22Å; K459-M1471 WeakPolarHBondContact CA-O 3.47Å; C460-M1471 PolarHBondContact N-O 2.63Å; C460-M1471 PolarHBondContact O-N 2.63Å; F462-M1471 HydrophobicContact CD2-CG 4.4Å; F462-M1471 HydrophobicContact CD2-SD 4.45Å; F462-M1471 HydrophobicContact CE2-CB 4.02Å; F462-M1471 HydrophobicContact CE2-CG 3.71Å; F462-M1471 HydrophobicContact CE2-SD 3.45Å; F462-M1471 WeakPolarHBondContact CE2-SD 3.25Å; F462-M1471 HydrophobicContact CZ-SD 3.82Å; K1242-M1471 HydrophobicContact CB-CE 4.06Å; K1242-M1471 HydrophobicContact CB-SD 3.67Å; K1242-M1471 HydrophobicContact CG-CE 4.09Å; K1242-M1471 HydrophobicContact CG-SD 4.1Å; K1242-M1471 VanDerWaalsContact O-SD 3.38Å; F1305-M1471 HydrophobicContact CE2-CG 3.98Å; F1305-M1471 HydrophobicContact CE2-SD 4.09Å; F1305-M1471 HydrophobicContact CZ-SD 4.15Å |
| 1472 | T | 84.7 | Confident | 86.8 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.4 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | K454 D458 R1474 I1476 | K454-T1472 WeakPolarHBondContact CE-O 3.35Å; D458-T1472 WeakPolarHBondContact O-CA 3.41Å; D458-T1472 PolarHBondContact O-OG1 3.46Å; T1472-R1474 VanDerWaalsContact C-N 3.27Å; T1472-R1474 VanDerWaalsContact CG2-O 3.27Å; T1472-R1474 WeakPolarHBondContact CG2-O 3.11Å; T1472-R1474 PolarHBondContact OG1-N 3.15Å; T1472-I1476 HydrophobicContact CG2-CD1 4.28Å; T1472-I1476 HydrophobicContact CG2-CG1 4.49Å |
| 1473 | S | 77.1 | Confident | 87.1 | Confident | 48 Ų | 48 | 42.2 Ų | 42.2 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -80.1 | -9.6 | 171.5 | 60 | 0 | 0 | 0 | 0 | 113.1 | D458 | D458-S1473 WeakPolarHBondContact CA-OG 3.12Å; D458-S1473 PolarHBondContact O-N 3.03Å; D458-S1473 VanDerWaalsContact O-N 3.08Å; D458-S1473 PolarHBondContact O-OG 3.27Å |
| 1474 | R | 78.1 | Confident | 87.5 | Confident | 68 Ų | 68 | 38.5 Ų | 38.5 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -103.3 | 149.1 | -176.1 | -56.7 | -161.1 | -179.6 | -164.7 | -3.8 | 112 | D458 T1472 I1476 D1768 | D458-R1474 IonicContact OD1-NE 3.93Å; D458-R1474 IonicContact OD1-NH2 3.75Å; T1472-R1474 VanDerWaalsContact C-N 3.27Å; T1472-R1474 VanDerWaalsContact CG2-O 3.27Å; T1472-R1474 WeakPolarHBondContact CG2-O 3.11Å; T1472-R1474 PolarHBondContact OG1-N 3.15Å; R1474-I1476 VanDerWaalsContact C-N 3.34Å; R1474-I1476 HydrophobicContact CB-CG1 4.3Å; R1474-I1476 PolarHBondContact O-N 2.92Å; R1474-D1768 WeakPolarHBondContact CD-OD2 3.17Å; R1474-D1768 IonicContact CZ-OD2 2.71Å; R1474-D1768 IonicContact NE-OD2 3.32Å; R1474-D1768 IonicContact NH1-OD2 3.68Å; R1474-D1768 PolarHBondContact NH1-OD2 3.46Å |
| 1475 | R | 77.5 | Confident | 87.8 | Confident | 139 Ų | 139 | 37.1 Ų | 37.1 | 53% | 0.525 | 18% | 0.18 | S | C | . | . | trans | -79.2 | 82.8 | 174 | -66.6 | -176.7 | -61.3 | 156.4 | 8 | 110.6 | L1769 D1770 | R1475-L1769 HydrophobicContact CB-CB 4.22Å; R1475-L1769 WeakPolarHBondContact O-CB 3.27Å; R1475-L1769 PolarHBondContact O-N 3.19Å; R1475-D1770 VanDerWaalsContact CB-OD2 3.3Å; R1475-D1770 WeakPolarHBondContact CB-OD2 3.29Å; R1475-D1770 VanDerWaalsContact CG-OD2 3.32Å; R1475-D1770 WeakPolarHBondContact CG-OD2 3.34Å; R1475-D1770 IonicContact CZ-OD1 2.83Å; R1475-D1770 PolarHBondContact N-OD2 3.41Å; R1475-D1770 IonicContact NE-OD1 3.81Å; R1475-D1770 PolarHBondContact NE-OD1 2.89Å; R1475-D1770 IonicContact NE-OD2 3.88Å; R1475-D1770 PolarHBondContact NE-OD2 3.46Å; R1475-D1770 IonicContact NH2-OD1 3.06Å; R1475-D1770 PolarHBondContact NH2-OD1 3.29Å | ||
| 1476 | I | 81.4 | Confident | 88.3 | Confident | 48 Ų | 48 | 34.8 Ų | 34.8 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.5 | 173.6 | -57.8 | 178.5 | 0 | 0 | 0 | 109.1 | T1472 R1474 E1766 V1767 | T1472-I1476 HydrophobicContact CG2-CD1 4.28Å; T1472-I1476 HydrophobicContact CG2-CG1 4.49Å; R1474-I1476 VanDerWaalsContact C-N 3.34Å; R1474-I1476 HydrophobicContact CB-CG1 4.3Å; R1474-I1476 PolarHBondContact O-N 2.92Å; I1476-E1766 HydrophobicContact CG2-CB 3.92Å; I1476-V1767 CarbonylContact C-O 3.46Å; I1476-V1767 VanDerWaalsContact CA-O 3.31Å; I1476-V1767 WeakPolarHBondContact CA-O 3.41Å |
| 1477 | V | 84.1 | Confident | 88.9 | Confident | 42 Ų | 42 | 33.6 Ų | 33.6 | 26% | 0.255 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.5 | 177.3 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | L1479 M1740 E1766 V1767 L1769 | V1477-L1479 HydrophobicContact CG2-CD1 4.29Å; V1477-L1479 HydrophobicContact CG2-CD2 4.26Å; V1477-L1479 HydrophobicContact CG2-CG 4.13Å; V1477-M1740 HydrophobicContact CG2-CE 4.33Å; V1477-E1766 WeakPolarHBondContact O-CA 3.47Å; V1477-V1767 HydrophobicContact CG2-CB 4Å; V1477-V1767 PolarHBondContact N-O 3.24Å; V1477-V1767 PolarHBondContact O-N 2.97Å; V1477-L1769 HydrophobicContact CB-CD1 4.39Å; V1477-L1769 HydrophobicContact CG1-CD1 3.56Å; V1477-L1769 HydrophobicContact CG1-CG 4.22Å; V1477-L1769 HydrophobicContact CG2-CD1 3.9Å; V1477-L1769 HydrophobicContact CG2-CD2 3.92Å; V1477-L1769 HydrophobicContact CG2-CG 3.8Å |
| 1478 | K | 85.5 | Confident | 89.7 | Confident | 126 Ų | 126 | 28.3 Ų | 28.3 | 55% | 0.548 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 117.3 | 171.9 | -170.3 | -179.7 | -176.5 | -179.2 | 0 | 109.6 | Y1764 | K1478-Y1764 HydrophobicContact CD-CD2 4.07Å; K1478-Y1764 HydrophobicContact CD-CE2 4.42Å; K1478-Y1764 HydrophobicContact CD-CG 4.18Å; K1478-Y1764 HydrophobicContact CG-CD2 3.7Å; K1478-Y1764 HydrophobicContact CG-CE2 4.37Å; K1478-Y1764 HydrophobicContact CG-CG 3.99Å |
| 1479 | L | 92.8 | Very high | 90 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 155.8 | 178.3 | -58.4 | 179.5 | 0 | 0 | 0 | 109.8 | V1477 F1482 M1740 Y1764 V1765 V1767 | V1477-L1479 HydrophobicContact CG2-CD1 4.29Å; V1477-L1479 HydrophobicContact CG2-CD2 4.26Å; V1477-L1479 HydrophobicContact CG2-CG 4.13Å; L1479-F1482 HydrophobicContact CB-CE2 4.07Å; L1479-F1482 HydrophobicContact CB-CZ 3.83Å; L1479-F1482 HydrophobicContact CD1-CE2 4.02Å; L1479-F1482 HydrophobicContact CD1-CZ 3.84Å; L1479-F1482 HydrophobicContact CG-CZ 4.4Å; L1479-M1740 HydrophobicContact CD1-SD 3.79Å; L1479-M1740 HydrophobicContact CD2-CG 3.88Å; L1479-M1740 HydrophobicContact CD2-SD 3.48Å; L1479-M1740 WeakPolarHBondContact CD2-SD 3.45Å; L1479-M1740 HydrophobicContact CG-SD 4.3Å; L1479-Y1764 CarbonylContact O-C 3.59Å; L1479-Y1764 VanDerWaalsContact O-CA 3.32Å; L1479-Y1764 WeakPolarHBondContact O-CA 3.36Å; L1479-Y1764 VanDerWaalsContact O-CB 3.29Å; L1479-Y1764 WeakPolarHBondContact O-CB 3.35Å; L1479-V1765 HydrophobicContact CB-CB 4.46Å; L1479-V1765 PolarHBondContact N-O 3.19Å; L1479-V1765 PolarHBondContact O-N 3.03Å; L1479-V1767 HydrophobicContact CD1-CB 4.31Å; L1479-V1767 HydrophobicContact CD1-CG2 3.68Å; L1479-V1767 HydrophobicContact CG-CG2 4.48Å |
| 1480 | P | 92.8 | Very high | 90 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 21% | 0.208 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 159.1 | 172.1 | 29.6 | -36.1 | 0 | 0 | 0 | 111 | F1482 K1744 H1748 | P1480-F1482 HydrophobicContact CG-CE1 4.35Å; P1480-F1482 PolarHBondContact O-N 2.81Å; P1480-K1744 HydrophobicContact CG-CG 4.19Å; P1480-H1748 HydrophobicContact CB-CB 4.37Å; P1480-H1748 HydrophobicContact CG-CB 3.93Å |
| 1481 | G | 93.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 121.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1513 H1748 | G1481-T1513 WeakPolarHBondContact CA-OG1 3.23Å; G1481-H1748 PolarHBondContact O-ND1 3.46Å |
| 1482 | F | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 153.4 | -175.9 | -64.4 | -63.3 | 0 | 0 | 0 | 112.6 | L1479 P1480 G1511 V1512 T1513 L1514 L1726 I1743 F1747 H1748 V1765 | L1479-F1482 HydrophobicContact CB-CE2 4.07Å; L1479-F1482 HydrophobicContact CB-CZ 3.83Å; L1479-F1482 HydrophobicContact CD1-CE2 4.02Å; L1479-F1482 HydrophobicContact CD1-CZ 3.84Å; L1479-F1482 HydrophobicContact CG-CZ 4.4Å; P1480-F1482 HydrophobicContact CG-CE1 4.35Å; P1480-F1482 PolarHBondContact O-N 2.81Å; F1482-G1511 WeakPolarHBondContact CB-O 3.36Å; F1482-G1511 WeakPolarHBondContact CD2-O 3.26Å; F1482-G1511 PolarHBondContact N-O 3.47Å; F1482-V1512 HydrophobicContact CB-CG2 4.46Å; F1482-V1512 CarbonylContact O-C 3.57Å; F1482-V1512 WeakPolarHBondContact O-CA 3.46Å; F1482-T1513 PolarHBondContact O-N 2.66Å; F1482-T1513 PolarHBondContact O-OG1 3.07Å; F1482-L1514 PolarHBondContact O-N 2.97Å; F1482-L1726 HydrophobicContact CD2-CD1 4.27Å; F1482-L1726 HydrophobicContact CD2-CD2 3.85Å; F1482-L1726 HydrophobicContact CE2-CD1 3.67Å; F1482-L1726 HydrophobicContact CE2-CD2 3.64Å; F1482-L1726 HydrophobicContact CE2-CG 4.31Å; F1482-L1726 HydrophobicContact CZ-CD1 4.19Å; F1482-I1743 HydrophobicContact CD1-CG2 4.47Å; F1482-I1743 HydrophobicContact CE1-CG2 3.58Å; F1482-I1743 HydrophobicContact CE2-CG2 4.44Å; F1482-I1743 HydrophobicContact CZ-CG2 3.55Å; F1482-F1747 HydrophobicContact CB-CD1 3.53Å; F1482-F1747 HydrophobicContact CB-CD2 4.39Å; F1482-F1747 HydrophobicContact CB-CE1 3.51Å; F1482-F1747 HydrophobicContact CB-CE2 4.37Å; F1482-F1747 HydrophobicContact CB-CG 3.98Å; F1482-F1747 HydrophobicContact CB-CZ 3.95Å; F1482-F1747 HydrophobicContact CD1-CB 3.73Å; F1482-F1747 AromaticContact CD1-CD1 3.43Å; F1482-F1747 HydrophobicContact CD1-CD1 3.43Å; F1482-F1747 VanDerWaalsContact CD1-CD1 3.43Å; F1482-F1747 HydrophobicContact CD1-CE1 4.24Å; F1482-F1747 AromaticContact CD1-CG 3.77Å; F1482-F1747 HydrophobicContact CD1-CG 3.77Å; F1482-F1747 AromaticContact CD2-CD1 3.98Å; F1482-F1747 HydrophobicContact CD2-CD1 3.98Å; F1482-F1747 HydrophobicContact CD2-CE1 4.09Å; F1482-F1747 HydrophobicContact CE1-CB 4.22Å; F1482-F1747 HydrophobicContact CE1-CD1 4.11Å; F1482-F1747 HydrophobicContact CG-CB 4.48Å; F1482-F1747 AromaticContact CG-CD1 3.35Å; F1482-F1747 HydrophobicContact CG-CD1 3.35Å; F1482-F1747 AromaticContact CG-CE1 3.69Å; F1482-F1747 HydrophobicContact CG-CE1 3.69Å; F1482-F1747 HydrophobicContact CG-CG 4.02Å; F1482-H1748 HydrophobicContact CD1-CB 4.07Å; F1482-H1748 HydrophobicContact CE1-CB 4.48Å; F1482-V1765 HydrophobicContact CD2-CG2 4.26Å |
| 1483 | I | 97.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 113.9 | -174.5 | -53.7 | 177.6 | 0 | 0 | 0 | 108.2 | V1485 L1514 F1747 P1751 K1752 L1757 | I1483-V1485 HydrophobicContact CG2-CG1 3.95Å; I1483-L1514 WeakPolarHBondContact CA-O 3.49Å; I1483-L1514 HydrophobicContact CD1-CD2 4.13Å; I1483-L1514 HydrophobicContact CG1-CB 4.18Å; I1483-L1514 HydrophobicContact CG1-CD2 4.16Å; I1483-L1514 HydrophobicContact CG2-CB 4.33Å; I1483-L1514 HydrophobicContact CG2-CD2 4.06Å; I1483-L1514 HydrophobicContact CG2-CG 4.13Å; I1483-F1747 PolarHBondContact N-O 2.76Å; I1483-F1747 WeakPolarHBondContact O-CD2 3.27Å; I1483-P1751 HydrophobicContact CB-CB 3.78Å; I1483-P1751 HydrophobicContact CB-CG 4.44Å; I1483-P1751 HydrophobicContact CD1-CB 4.24Å; I1483-P1751 HydrophobicContact CG2-CB 3.82Å; I1483-K1752 HydrophobicContact CD1-CB 3.88Å; I1483-L1757 HydrophobicContact CD1-CD1 4.13Å; I1483-L1757 HydrophobicContact CG2-CD1 3.66Å |
| 1484 | D | 97.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 112.7 | 170.7 | -167.3 | -15.8 | 0 | 0 | 0 | 109.8 | H1486 V1487 V1512 L1514 V1515 C1516 T1700 F1747 | D1484-H1486 VanDerWaalsContact C-N 3.28Å; D1484-H1486 PolarHBondContact O-N 3.11Å; D1484-H1486 PolarHBondContact OD1-N 2.86Å; D1484-H1486 VanDerWaalsContact OD1-N 3.08Å; D1484-V1487 HydrophobicContact CB-CG2 3.82Å; D1484-V1487 VanDerWaalsContact CG-CG2 3.47Å; D1484-V1512 HydrophobicContact CB-CG1 3.74Å; D1484-V1512 HydrophobicContact CB-CG2 4.24Å; D1484-L1514 PolarHBondContact N-O 3.32Å; D1484-V1515 CarbonylContact O-C 3.57Å; D1484-V1515 WeakPolarHBondContact O-CA 3.44Å; D1484-C1516 PolarHBondContact O-N 3.12Å; D1484-T1700 PolarHBondContact OD1-N 3.3Å; D1484-T1700 VanDerWaalsContact OD1-N 3.16Å; D1484-T1700 VanDerWaalsContact OD2-CB 3.26Å; D1484-T1700 WeakPolarHBondContact OD2-CB 3.37Å; D1484-T1700 WeakPolarHBondContact OD2-CG2 3.42Å; D1484-T1700 PolarHBondContact OD2-N 2.96Å; D1484-T1700 PolarHBondContact OD2-OG1 2.83Å; D1484-F1747 HydrophobicContact CB-CE2 4.38Å |
| 1485 | V | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 1.3 | -173.8 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | I1483 C1516 Y1549 E1652 V1697 A1699 P1751 F1755 | I1483-V1485 HydrophobicContact CG2-CG1 3.95Å; V1485-C1516 WeakPolarHBondContact O-CB 3.47Å; V1485-Y1549 VanDerWaalsContact O-CE2 3.24Å; V1485-Y1549 WeakPolarHBondContact O-CE2 3.43Å; V1485-Y1549 PolarHBondContact O-OH 2.93Å; V1485-E1652 VanDerWaalsContact CG2-OE2 3.25Å; V1485-E1652 WeakPolarHBondContact CG2-OE2 3.18Å; V1485-V1697 HydrophobicContact CG2-CG1 3.58Å; V1485-A1699 HydrophobicContact CG2-CB 3.77Å; V1485-P1751 HydrophobicContact CG1-CB 3.79Å; V1485-F1755 HydrophobicContact CB-CD2 4.23Å; V1485-F1755 HydrophobicContact CB-CE1 4.45Å; V1485-F1755 HydrophobicContact CB-CE2 3.76Å; V1485-F1755 HydrophobicContact CB-CZ 3.87Å; V1485-F1755 HydrophobicContact CG1-CD2 3.61Å; V1485-F1755 HydrophobicContact CG1-CE2 3.57Å; V1485-F1755 HydrophobicContact CG1-CG 4.24Å; V1485-F1755 HydrophobicContact CG1-CZ 4.17Å; V1485-F1755 HydrophobicContact CG2-CE2 3.9Å; V1485-F1755 HydrophobicContact CG2-CZ 4.04Å |
| 1486 | H | 96.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 86.9 | -176.5 | -155.7 | 147.3 | 0 | 0 | 0 | 113.1 | D1484 H1488 M1518 K1571 H1629 E1652 A1699 D1701 H1702 | D1484-H1486 VanDerWaalsContact C-N 3.28Å; D1484-H1486 PolarHBondContact O-N 3.11Å; D1484-H1486 PolarHBondContact OD1-N 2.86Å; D1484-H1486 VanDerWaalsContact OD1-N 3.08Å; H1486-H1488 AromaticContact CD2-NE2 3.91Å; H1486-H1488 AromaticContact NE2-NE2 3.69Å; H1486-M1518 HydrophobicContact CB-CE 3.96Å; H1486-M1518 WeakPolarHBondContact CD2-CE 3.37Å; H1486-M1518 VanDerWaalsContact CD2-CG 3.47Å; H1486-M1518 WeakPolarHBondContact CD2-CG 3.49Å; H1486-M1518 WeakPolarHBondContact NE2-CE 3.25Å; H1486-K1571 PolarHBondContact CE1-NZ 3.17Å; H1486-H1629 AromaticContact CE1-CD2 3.63Å; H1486-H1629 AromaticContact CE1-NE2 3.94Å; H1486-E1652 IonicContact CE1-OE1 3.28Å; H1486-E1652 IonicContact CG-OE1 2.83Å; H1486-E1652 IonicContact ND1-OE1 3.48Å; H1486-E1652 PolarHBondContact ND1-OE1 3.01Å; H1486-A1699 HydrophobicContact CB-CB 3.84Å; H1486-D1701 IonicContact CD2-OD1 3.66Å; H1486-D1701 PolarHBondContact CD2-OD1 2.71Å; H1486-D1701 IonicContact CE1-OD1 2.92Å; H1486-D1701 IonicContact NE2-OD1 3.55Å; H1486-D1701 PolarHBondContact NE2-OD1 3.08Å; H1486-D1701 WeakPolarHBondContact O-CA 3.05Å; H1486-D1701 PolarHBondContact O-N 3.01Å; H1486-H1702 PolarHBondContact O-N 3.34Å |
| 1487 | V | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.3 | -177.8 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | D1484 L1489 V1515 C1516 A1517 M1518 H1702 V1722 | D1484-V1487 HydrophobicContact CB-CG2 3.82Å; D1484-V1487 VanDerWaalsContact CG-CG2 3.47Å; V1487-L1489 HydrophobicContact CG1-CD2 3.82Å; V1487-L1489 HydrophobicContact CG1-CG 4.06Å; V1487-V1515 HydrophobicContact CB-CB 4.29Å; V1487-V1515 HydrophobicContact CG2-CB 3.97Å; V1487-V1515 HydrophobicContact CG2-CG1 3.95Å; V1487-C1516 PolarHBondContact N-O 2.96Å; V1487-A1517 WeakPolarHBondContact O-CA 3.31Å; V1487-M1518 PolarHBondContact O-N 3.21Å; V1487-H1702 HydrophobicContact CG1-CB 4.24Å; V1487-V1722 HydrophobicContact CG2-CG2 4.47Å |
| 1488 | H | 94.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 5% | 0.046 | 14% | 0.138 | C | C | . | . | trans | -95.3 | 97.9 | 173.8 | -61.8 | -79.1 | 0 | 0 | 0 | 111.8 | H1486 M1518 N1520 D1701 H1702 P1704 | H1486-H1488 AromaticContact CD2-NE2 3.91Å; H1486-H1488 AromaticContact NE2-NE2 3.69Å; H1488-M1518 VanDerWaalsContact ND1-CB 3.34Å; H1488-M1518 WeakPolarHBondContact ND1-CB 3.49Å; H1488-N1520 PolarHBondContact CE1-ND2 3.42Å; H1488-N1520 PolarHBondContact CE1-OD1 2.89Å; H1488-N1520 PolarHBondContact ND1-ND2 3.19Å; H1488-N1520 PolarHBondContact ND1-OD1 3.32Å; H1488-D1701 IonicContact CD2-OD1 2.64Å; H1488-D1701 IonicContact NE2-OD1 3.59Å; H1488-D1701 PolarHBondContact NE2-OD1 3.12Å; H1488-H1702 VanDerWaalsContact CB-O 3.25Å; H1488-H1702 WeakPolarHBondContact CB-O 3.42Å; H1488-H1702 PolarHBondContact CD2-O 3.35Å; H1488-H1702 PolarHBondContact N-O 3.47Å; H1488-P1704 VanDerWaalsContact O-CD 3.25Å; H1488-P1704 WeakPolarHBondContact O-CD 3.44Å; H1488-P1704 WeakPolarHBondContact O-CG 3.17Å | ||
| 1489 | L | 93.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | trans | -85.2 | -5.8 | 178.7 | -62.9 | 174.4 | 0 | 0 | 0 | 114.4 | V1487 E1491 E1498 D1499 F1500 T1504 V1515 A1517 | V1487-L1489 HydrophobicContact CG1-CD2 3.82Å; V1487-L1489 HydrophobicContact CG1-CG 4.06Å; L1489-E1491 PolarHBondContact O-N 2.99Å; L1489-E1498 CarbonylContact O-C 3.58Å; L1489-E1498 VanDerWaalsContact O-C 3.23Å; L1489-D1499 WeakPolarHBondContact O-CA 3.5Å; L1489-F1500 HydrophobicContact CD1-CD1 3.3Å; L1489-F1500 HydrophobicContact CD1-CE1 3.36Å; L1489-F1500 HydrophobicContact CD1-CG 4.07Å; L1489-F1500 HydrophobicContact CD1-CZ 4.17Å; L1489-T1504 HydrophobicContact CD1-CG2 4.24Å; L1489-V1515 HydrophobicContact CD1-CG2 4.23Å; L1489-A1517 HydrophobicContact CD1-CB 3.94Å | ||
| 1490 | R | 92 | Very high | 93.7 | Very high | 26 Ų | 26 | 20.1 Ų | 20.1 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | trans | 57.4 | 10.2 | 169.5 | -58.6 | -60.8 | -176.7 | -172.9 | -3.2 | 117.2 | P1492 A1494 K1497 E1498 P1704 | R1490-P1492 CarbonylContact O-C 3.41Å; R1490-A1494 HydrophobicContact CB-CB 4.02Å; R1490-A1494 WeakPolarHBondContact CB-O 3.44Å; R1490-A1494 CarbonylContact O-C 3.51Å; R1490-A1494 WeakPolarHBondContact O-CA 3.22Å; R1490-A1494 PolarHBondContact O-N 3.36Å; R1490-K1497 HydrophobicContact CB-CB 4.42Å; R1490-K1497 HydrophobicContact CG-CB 4.17Å; R1490-E1498 WeakPolarHBondContact CB-O 3.14Å; R1490-P1704 HydrophobicContact CG-CG 4.1Å | ||
| 1491 | E | 92.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 19.4 Ų | 19.4 | 16% | 0.164 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 122.5 | 173.9 | -178.4 | 168 | -149.3 | 0 | 0 | 110.4 | L1489 T1495 D1499 F1500 F1534 L1537 | L1489-E1491 PolarHBondContact O-N 2.99Å; E1491-T1495 HydrophobicContact CB-CG2 4Å; E1491-T1495 HydrophobicContact CG-CG2 3.92Å; E1491-D1499 HydrophobicContact CB-CB 4.36Å; E1491-D1499 WeakPolarHBondContact OE2-CB 3.29Å; E1491-F1500 HydrophobicContact CB-CD2 3.89Å; E1491-F1500 HydrophobicContact CB-CE2 4.26Å; E1491-F1500 HydrophobicContact CG-CD2 4.09Å; E1491-F1500 WeakPolarHBondContact O-CE2 3.36Å; E1491-F1500 WeakPolarHBondContact OE2-CD2 3.42Å; E1491-F1500 PolarHBondContact OE2-N 3Å; E1491-F1534 WeakPolarHBondContact O-CD2 3.49Å; E1491-F1534 VanDerWaalsContact O-CE2 3.28Å; E1491-F1534 WeakPolarHBondContact O-CE2 3.26Å; E1491-L1537 HydrophobicContact CG-CB 4.18Å; E1491-L1537 HydrophobicContact CG-CD1 3.99Å; E1491-L1537 HydrophobicContact CG-CD2 4.34Å; E1491-L1537 HydrophobicContact CG-CG 4.39Å |
| 1492 | P | 90.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 20 Ų | 20 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -79.8 | 160.5 | 4.9 | 32.4 | -34.9 | 0 | 0 | 0 | 114.5 | R1490 T1521 N1522 L1537 | R1490-P1492 CarbonylContact O-C 3.41Å; P1492-T1521 WeakPolarHBondContact O-CB 3.39Å; P1492-N1522 CarbonylContact C-O 3.44Å; P1492-N1522 PolarHBondContact O-N 2.97Å; P1492-N1522 VanDerWaalsContact O-N 3.14Å; P1492-L1537 HydrophobicContact CB-CD1 3.81Å; P1492-L1537 HydrophobicContact CG-CD1 4.08Å |
| 1493 | G | 88 | Confident | 93.8 | Very high | 50 Ų | 50 | 20 Ų | 20 | 52% | 0.515 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.9 | -19.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | N1522 | G1493-N1522 WeakPolarHBondContact CA-O 3.17Å; G1493-N1522 PolarHBondContact N-O 3.33Å |
| 1494 | A | 89.9 | Confident | 93.8 | Very high | 19 Ų | 19 | 19.8 Ų | 19.8 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | trans | -146.6 | 47.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1490 H1496 K1497 E1498 | R1490-A1494 HydrophobicContact CB-CB 4.02Å; R1490-A1494 WeakPolarHBondContact CB-O 3.44Å; R1490-A1494 CarbonylContact O-C 3.51Å; R1490-A1494 WeakPolarHBondContact O-CA 3.22Å; R1490-A1494 PolarHBondContact O-N 3.36Å; A1494-H1496 PolarHBondContact O-N 2.8Å; A1494-H1496 VanDerWaalsContact O-N 3.16Å; A1494-K1497 HydrophobicContact CB-CD 4.14Å; A1494-K1497 HydrophobicContact CB-CG 4.29Å; A1494-K1497 VanDerWaalsContact O-CB 3.3Å; A1494-K1497 WeakPolarHBondContact O-CB 3.45Å; A1494-K1497 PolarHBondContact O-N 3.07Å; A1494-E1498 PolarHBondContact O-N 2.86Å | ||
| 1495 | T | 91.5 | Very high | 93.7 | Very high | 64 Ų | 64 | 20.1 Ų | 20.1 | 39% | 0.393 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.6 | -176.1 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | E1491 K1497 E1498 D1499 K1783 | E1491-T1495 HydrophobicContact CB-CG2 4Å; E1491-T1495 HydrophobicContact CG-CG2 3.92Å; T1495-K1497 VanDerWaalsContact C-N 3.27Å; T1495-E1498 VanDerWaalsContact CA-O 3.25Å; T1495-E1498 WeakPolarHBondContact CA-O 3.44Å; T1495-D1499 HydrophobicContact CG2-CB 4.17Å; T1495-K1783 PolarHBondContact O-NZ 2.89Å |
| 1496 | H | 91.4 | Very high | 93.7 | Very high | 115 Ų | 115 | 20.1 Ų | 20.1 | 53% | 0.532 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -25.3 | 172 | 69.1 | -72.4 | 0 | 0 | 0 | 112.6 | A1494 E1709 | A1494-H1496 PolarHBondContact O-N 2.8Å; A1494-H1496 VanDerWaalsContact O-N 3.16Å; H1496-E1709 IonicContact NE2-OE1 2.64Å |
| 1497 | K | 91 | Very high | 93.7 | Very high | 18 Ų | 18 | 20 Ų | 20 | 8% | 0.078 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -49.9 | 174 | -63.7 | -169.8 | -174.8 | -123.9 | 0 | 111.1 | R1490 A1494 T1495 P1704 H1705 E1709 K1783 | R1490-K1497 HydrophobicContact CB-CB 4.42Å; R1490-K1497 HydrophobicContact CG-CB 4.17Å; A1494-K1497 HydrophobicContact CB-CD 4.14Å; A1494-K1497 HydrophobicContact CB-CG 4.29Å; A1494-K1497 VanDerWaalsContact O-CB 3.3Å; A1494-K1497 WeakPolarHBondContact O-CB 3.45Å; A1494-K1497 PolarHBondContact O-N 3.07Å; T1495-K1497 VanDerWaalsContact C-N 3.27Å; K1497-P1704 WeakPolarHBondContact CB-O 3.45Å; K1497-H1705 PolarHBondContact NZ-ND1 3.16Å; K1497-H1705 VanDerWaalsContact NZ-ND1 3.15Å; K1497-E1709 WeakPolarHBondContact CE-OE1 3.47Å; K1497-E1709 IonicContact NZ-OE1 2.7Å; K1497-E1709 PolarHBondContact NZ-OE1 2.9Å; K1497-E1709 IonicContact NZ-OE2 2.8Å; K1497-E1709 PolarHBondContact NZ-OE2 2.7Å; K1497-K1783 WeakPolarHBondContact O-CB 3.35Å |
| 1498 | E | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -168.4 | 153.7 | 176 | -161.8 | 72.1 | -62.8 | 0 | 0 | 109.1 | L1489 R1490 A1494 T1495 S1502 G1503 H1702 P1704 S1782 K1783 | L1489-E1498 CarbonylContact O-C 3.58Å; L1489-E1498 VanDerWaalsContact O-C 3.23Å; R1490-E1498 WeakPolarHBondContact CB-O 3.14Å; A1494-E1498 PolarHBondContact O-N 2.86Å; T1495-E1498 VanDerWaalsContact CA-O 3.25Å; T1495-E1498 WeakPolarHBondContact CA-O 3.44Å; E1498-S1502 VanDerWaalsContact CD-OG 3.29Å; E1498-S1502 WeakPolarHBondContact OE1-CB 3.2Å; E1498-S1502 PolarHBondContact OE1-OG 2.85Å; E1498-G1503 WeakPolarHBondContact OE2-CA 3.23Å; E1498-H1702 IonicContact OE2-CE1 3.96Å; E1498-H1702 IonicContact OE2-NE2 2.71Å; E1498-H1702 PolarHBondContact OE2-NE2 3.01Å; E1498-P1704 HydrophobicContact CB-CB 3.78Å; E1498-P1704 HydrophobicContact CB-CG 3.27Å; E1498-P1704 HydrophobicContact CG-CB 4.21Å; E1498-P1704 HydrophobicContact CG-CG 3.89Å; E1498-S1782 VanDerWaalsContact OE2-CA 3.24Å; E1498-S1782 WeakPolarHBondContact OE2-CA 3.37Å; E1498-S1782 WeakPolarHBondContact OE2-CB 3.47Å; E1498-S1782 PolarHBondContact OE2-OG 3.26Å; E1498-K1783 WeakPolarHBondContact OE1-CB 3.33Å; E1498-K1783 WeakPolarHBondContact OE1-CG 3.4Å; E1498-K1783 PolarHBondContact OE1-N 3.39Å | ||
| 1499 | D | 94.6 | Very high | 93.7 | Very high | 30 Ų | 30 | 20.3 Ų | 20.3 | 16% | 0.16 | 13% | 0.125 | C | C | . | . | trans | -128.6 | 177.1 | 168.3 | 62.5 | 36 | 0 | 0 | 0 | 110.6 | L1489 E1491 T1495 A1501 S1502 G1503 K1783 | L1489-D1499 WeakPolarHBondContact O-CA 3.5Å; E1491-D1499 HydrophobicContact CB-CB 4.36Å; E1491-D1499 WeakPolarHBondContact OE2-CB 3.29Å; T1495-D1499 HydrophobicContact CG2-CB 4.17Å; D1499-A1501 PolarHBondContact O-N 3.14Å; D1499-A1501 WeakPolarHBondContact OD1-CA 3.46Å; D1499-A1501 WeakPolarHBondContact OD1-CB 3.2Å; D1499-A1501 PolarHBondContact OD1-N 3.39Å; D1499-S1502 PolarHBondContact N-OG 3.02Å; D1499-S1502 VanDerWaalsContact N-OG 3.15Å; D1499-S1502 PolarHBondContact O-N 3.43Å; D1499-S1502 PolarHBondContact OD1-N 2.84Å; D1499-S1502 PolarHBondContact OD1-OG 3.11Å; D1499-S1502 VanDerWaalsContact OD1-OG 3.1Å; D1499-G1503 PolarHBondContact O-N 2.95Å; D1499-K1783 WeakPolarHBondContact OD2-CE 3.42Å; D1499-K1783 IonicContact OD2-NZ 2.71Å; D1499-K1783 PolarHBondContact OD2-NZ 3.01Å | ||
| 1500 | F | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.2 | -34.3 | 178.6 | -87.1 | -84.8 | 0 | 0 | 0 | 112.1 | L1489 E1491 T1504 A1517 F1534 L1537 A1538 A1542 L1548 | L1489-F1500 HydrophobicContact CD1-CD1 3.3Å; L1489-F1500 HydrophobicContact CD1-CE1 3.36Å; L1489-F1500 HydrophobicContact CD1-CG 4.07Å; L1489-F1500 HydrophobicContact CD1-CZ 4.17Å; E1491-F1500 HydrophobicContact CB-CD2 3.89Å; E1491-F1500 HydrophobicContact CB-CE2 4.26Å; E1491-F1500 HydrophobicContact CG-CD2 4.09Å; E1491-F1500 WeakPolarHBondContact O-CE2 3.36Å; E1491-F1500 WeakPolarHBondContact OE2-CD2 3.42Å; E1491-F1500 PolarHBondContact OE2-N 3Å; F1500-T1504 VanDerWaalsContact O-CB 3.29Å; F1500-T1504 WeakPolarHBondContact O-CB 3.36Å; F1500-T1504 VanDerWaalsContact O-CG2 3.25Å; F1500-T1504 WeakPolarHBondContact O-CG2 3.5Å; F1500-T1504 PolarHBondContact O-N 3.13Å; F1500-T1504 PolarHBondContact O-OG1 3.44Å; F1500-A1517 HydrophobicContact CE1-CB 4.11Å; F1500-A1517 HydrophobicContact CZ-CB 4.22Å; F1500-F1534 AromaticContact CE2-CD2 3.77Å; F1500-F1534 HydrophobicContact CE2-CD2 3.77Å; F1500-F1534 AromaticContact CE2-CE2 3.58Å; F1500-F1534 HydrophobicContact CE2-CE2 3.58Å; F1500-F1534 AromaticContact CZ-CD2 3.73Å; F1500-F1534 HydrophobicContact CZ-CD2 3.73Å; F1500-F1534 AromaticContact CZ-CE2 3.33Å; F1500-F1534 HydrophobicContact CZ-CE2 3.33Å; F1500-F1534 AromaticContact CZ-CZ 3.95Å; F1500-F1534 HydrophobicContact CZ-CZ 3.95Å; F1500-L1537 HydrophobicContact CD2-CB 4.35Å; F1500-L1537 HydrophobicContact CE2-CB 4.35Å; F1500-A1538 HydrophobicContact CD1-CB 3.71Å; F1500-A1538 HydrophobicContact CD2-CB 4.26Å; F1500-A1538 HydrophobicContact CE1-CB 3.28Å; F1500-A1538 HydrophobicContact CE2-CB 3.88Å; F1500-A1538 HydrophobicContact CG-CB 4.2Å; F1500-A1538 HydrophobicContact CZ-CB 3.38Å; F1500-A1542 HydrophobicContact CD1-CB 4.3Å; F1500-L1548 HydrophobicContact CE1-CD2 4.26Å; F1500-L1548 HydrophobicContact CZ-CD2 4.14Å |
| 1501 | A | 95.1 | Very high | 93.8 | Very high | 18 Ų | 18 | 19 Ų | 19 | 15% | 0.149 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -73 | -42.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | D1499 A1505 G1541 R1543 P1818 | D1499-A1501 PolarHBondContact O-N 3.14Å; D1499-A1501 WeakPolarHBondContact OD1-CA 3.46Å; D1499-A1501 WeakPolarHBondContact OD1-CB 3.2Å; D1499-A1501 PolarHBondContact OD1-N 3.39Å; A1501-A1505 VanDerWaalsContact O-CB 3.25Å; A1501-A1505 WeakPolarHBondContact O-CB 3.35Å; A1501-A1505 PolarHBondContact O-N 2.99Å; A1501-G1541 WeakPolarHBondContact CA-O 3.24Å; A1501-G1541 WeakPolarHBondContact CB-O 3.31Å; A1501-G1541 PolarHBondContact N-O 2.9Å; A1501-R1543 PolarHBondContact O-NE 3.44Å; A1501-P1818 HydrophobicContact CB-CB 4.03Å; A1501-P1818 HydrophobicContact CB-CG 3.93Å |
| 1502 | S | 94.9 | Very high | 94 | Very high | 13 Ų | 13 | 17.3 Ų | 17.3 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -79.7 | -41.7 | 179.3 | 56 | 0 | 0 | 0 | 0 | 112.4 | E1498 D1499 T1504 A1505 A1506 K1783 | E1498-S1502 VanDerWaalsContact CD-OG 3.29Å; E1498-S1502 WeakPolarHBondContact OE1-CB 3.2Å; E1498-S1502 PolarHBondContact OE1-OG 2.85Å; D1499-S1502 PolarHBondContact N-OG 3.02Å; D1499-S1502 VanDerWaalsContact N-OG 3.15Å; D1499-S1502 PolarHBondContact O-N 3.43Å; D1499-S1502 PolarHBondContact OD1-N 2.84Å; D1499-S1502 PolarHBondContact OD1-OG 3.11Å; D1499-S1502 VanDerWaalsContact OD1-OG 3.1Å; S1502-T1504 PolarHBondContact O-N 3.27Å; S1502-A1505 WeakPolarHBondContact O-CB 3.36Å; S1502-A1505 PolarHBondContact O-N 3.3Å; S1502-A1506 WeakPolarHBondContact O-CB 3.43Å; S1502-A1506 PolarHBondContact O-N 3.41Å; S1502-K1783 WeakPolarHBondContact OG-CE 3.31Å |
| 1503 | G | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.5 | -31.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1498 D1499 A1506 A1507 | E1498-G1503 WeakPolarHBondContact OE2-CA 3.23Å; D1499-G1503 PolarHBondContact O-N 2.95Å; G1503-A1506 WeakPolarHBondContact O-CB 3.42Å; G1503-A1507 PolarHBondContact O-N 3Å |
| 1504 | T | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -80.7 | -23.9 | 171.4 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | L1489 F1500 S1502 A1506 A1507 L1508 V1515 A1542 R1543 C1544 | L1489-T1504 HydrophobicContact CD1-CG2 4.24Å; F1500-T1504 VanDerWaalsContact O-CB 3.29Å; F1500-T1504 WeakPolarHBondContact O-CB 3.36Å; F1500-T1504 VanDerWaalsContact O-CG2 3.25Å; F1500-T1504 WeakPolarHBondContact O-CG2 3.5Å; F1500-T1504 PolarHBondContact O-N 3.13Å; F1500-T1504 PolarHBondContact O-OG1 3.44Å; S1502-T1504 PolarHBondContact O-N 3.27Å; T1504-A1506 VanDerWaalsContact C-N 3.35Å; T1504-A1507 PolarHBondContact O-N 3.12Å; T1504-L1508 WeakPolarHBondContact O-CG 3.43Å; T1504-L1508 PolarHBondContact O-N 2.95Å; T1504-V1515 HydrophobicContact CG2-CG2 4.01Å; T1504-A1542 HydrophobicContact CG2-CB 4.15Å; T1504-R1543 WeakPolarHBondContact OG1-CB 3.41Å; T1504-R1543 PolarHBondContact OG1-N 3.1Å; T1504-C1544 VanDerWaalsContact CB-SG 3.56Å |
| 1505 | A | 95.7 | Very high | 95.1 | Very high | 6 Ų | 6 | 13.4 Ų | 13.4 | 5% | 0.05 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 166 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1501 S1502 L1508 A1509 K1781 V1814 | A1501-A1505 VanDerWaalsContact O-CB 3.25Å; A1501-A1505 WeakPolarHBondContact O-CB 3.35Å; A1501-A1505 PolarHBondContact O-N 2.99Å; S1502-A1505 WeakPolarHBondContact O-CB 3.36Å; S1502-A1505 PolarHBondContact O-N 3.3Å; A1505-L1508 PolarHBondContact O-N 2.68Å; A1505-A1509 PolarHBondContact O-N 3.41Å; A1505-K1781 HydrophobicContact CB-CB 4.03Å; A1505-V1814 HydrophobicContact CB-CG1 4.31Å; A1505-V1814 HydrophobicContact CB-CG2 3.98Å |
| 1506 | A | 95.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1502 G1503 T1504 L1508 A1509 G1510 V1722 E1723 K1781 | S1502-A1506 WeakPolarHBondContact O-CB 3.43Å; S1502-A1506 PolarHBondContact O-N 3.41Å; G1503-A1506 WeakPolarHBondContact O-CB 3.42Å; T1504-A1506 VanDerWaalsContact C-N 3.35Å; A1506-L1508 PolarHBondContact O-N 2.74Å; A1506-A1509 PolarHBondContact O-N 2.77Å; A1506-G1510 PolarHBondContact O-N 3.24Å; A1506-V1722 HydrophobicContact CB-CG1 3.49Å; A1506-V1722 VanDerWaalsContact CB-CG1 3.49Å; A1506-E1723 VanDerWaalsContact CA-OE1 3.3Å; A1506-E1723 WeakPolarHBondContact CA-OE1 3.48Å; A1506-E1723 HydrophobicContact CB-CG 3.79Å; A1506-E1723 WeakPolarHBondContact CB-OE1 3.45Å; A1506-E1723 WeakPolarHBondContact O-CG 3.44Å; A1506-K1781 HydrophobicContact CB-CB 4.31Å |
| 1507 | A | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1503 T1504 A1509 G1510 G1511 V1512 V1515 V1722 | G1503-A1507 PolarHBondContact O-N 3Å; T1504-A1507 PolarHBondContact O-N 3.12Å; A1507-A1509 VanDerWaalsContact C-N 3.32Å; A1507-A1509 PolarHBondContact O-N 3.07Å; A1507-G1510 CarbonylContact O-C 3.24Å; A1507-G1510 PolarHBondContact O-N 3.23Å; A1507-G1510 VanDerWaalsContact O-N 3.1Å; A1507-G1511 PolarHBondContact O-N 3.02Å; A1507-V1512 CarbonylContact C-O 3.52Å; A1507-V1512 VanDerWaalsContact C-O 3.28Å; A1507-V1512 HydrophobicContact CB-CB 3.99Å; A1507-V1512 HydrophobicContact CB-CG1 4.2Å; A1507-V1512 WeakPolarHBondContact O-CA 3.4Å; A1507-V1512 WeakPolarHBondContact O-CB 3.42Å; A1507-V1512 PolarHBondContact O-N 2.91Å; A1507-V1515 HydrophobicContact CB-CG1 3.59Å; A1507-V1722 HydrophobicContact CB-CG2 3.91Å |
| 1508 | L | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 176.4 | -70.3 | 170.8 | 0 | 0 | 0 | 112.1 | T1504 A1505 A1506 G1510 G1511 V1512 R1543 C1544 V1801 A1808 F1809 V1814 V1816 | T1504-L1508 WeakPolarHBondContact O-CG 3.43Å; T1504-L1508 PolarHBondContact O-N 2.95Å; A1505-L1508 PolarHBondContact O-N 2.68Å; A1506-L1508 PolarHBondContact O-N 2.74Å; L1508-G1510 PolarHBondContact O-N 2.66Å; L1508-G1511 PolarHBondContact O-N 3.23Å; L1508-V1512 PolarHBondContact N-O 3.22Å; L1508-R1543 HydrophobicContact CD1-CB 3.92Å; L1508-C1544 HydrophobicContact CD1-CB 4.5Å; L1508-C1544 HydrophobicContact CD2-CB 3.71Å; L1508-C1544 HydrophobicContact CG-CB 3.89Å; L1508-V1801 HydrophobicContact CD2-CB 4.44Å; L1508-V1801 HydrophobicContact CD2-CG1 3.86Å; L1508-V1801 WeakPolarHBondContact O-CG2 3.47Å; L1508-A1808 HydrophobicContact CD1-CB 3.95Å; L1508-A1808 HydrophobicContact CD2-CB 3.76Å; L1508-A1808 HydrophobicContact CG-CB 4.48Å; L1508-F1809 HydrophobicContact CB-CB 4.03Å; L1508-V1814 HydrophobicContact CD1-CG1 3.92Å; L1508-V1816 HydrophobicContact CD1-CG2 3.57Å |
| 1509 | A | 93.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 4.1 Ų | 4.1 | 13% | 0.132 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -64.2 | -29.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | A1505 A1506 A1507 G1511 E1723 K1781 F1809 | A1505-A1509 PolarHBondContact O-N 3.41Å; A1506-A1509 PolarHBondContact O-N 2.77Å; A1507-A1509 VanDerWaalsContact C-N 3.32Å; A1507-A1509 PolarHBondContact O-N 3.07Å; A1509-G1511 VanDerWaalsContact C-N 3.35Å; A1509-E1723 HydrophobicContact CB-CG 4.07Å; A1509-K1781 HydrophobicContact CB-CG 4.11Å; A1509-F1809 VanDerWaalsContact CA-CE2 3.49Å; A1509-F1809 HydrophobicContact CB-CD2 4.06Å; A1509-F1809 HydrophobicContact CB-CE2 3.48Å; A1509-F1809 VanDerWaalsContact CB-CE2 3.48Å; A1509-F1809 HydrophobicContact CB-CZ 3.91Å |
| 1510 | G | 93.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A1506 A1507 L1508 V1512 L1726 | A1506-G1510 PolarHBondContact O-N 3.24Å; A1507-G1510 CarbonylContact O-C 3.24Å; A1507-G1510 PolarHBondContact O-N 3.23Å; A1507-G1510 VanDerWaalsContact O-N 3.1Å; L1508-G1510 PolarHBondContact O-N 2.66Å; G1510-V1512 VanDerWaalsContact C-N 3.34Å; G1510-L1726 VanDerWaalsContact O-CB 3.22Å; G1510-L1726 WeakPolarHBondContact O-CB 3.24Å |
| 1511 | G | 94.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 11 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1482 A1507 L1508 A1509 V1765 | F1482-G1511 WeakPolarHBondContact CB-O 3.36Å; F1482-G1511 WeakPolarHBondContact CD2-O 3.26Å; F1482-G1511 PolarHBondContact N-O 3.47Å; A1507-G1511 PolarHBondContact O-N 3.02Å; L1508-G1511 PolarHBondContact O-N 3.23Å; A1509-G1511 VanDerWaalsContact C-N 3.35Å; G1511-V1765 WeakPolarHBondContact O-CG2 3.41Å |
| 1512 | V | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.4 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | F1482 D1484 A1507 L1508 G1510 L1514 V1515 V1722 I1725 F1747 | F1482-V1512 HydrophobicContact CB-CG2 4.46Å; F1482-V1512 CarbonylContact O-C 3.57Å; F1482-V1512 WeakPolarHBondContact O-CA 3.46Å; D1484-V1512 HydrophobicContact CB-CG1 3.74Å; D1484-V1512 HydrophobicContact CB-CG2 4.24Å; A1507-V1512 CarbonylContact C-O 3.52Å; A1507-V1512 VanDerWaalsContact C-O 3.28Å; A1507-V1512 HydrophobicContact CB-CB 3.99Å; A1507-V1512 HydrophobicContact CB-CG1 4.2Å; A1507-V1512 WeakPolarHBondContact O-CA 3.4Å; A1507-V1512 WeakPolarHBondContact O-CB 3.42Å; A1507-V1512 PolarHBondContact O-N 2.91Å; L1508-V1512 PolarHBondContact N-O 3.22Å; G1510-V1512 VanDerWaalsContact C-N 3.34Å; V1512-L1514 VanDerWaalsContact CG1-O 3.29Å; V1512-L1514 WeakPolarHBondContact CG1-O 3.25Å; V1512-V1515 HydrophobicContact CG1-CG1 3.72Å; V1512-V1722 HydrophobicContact CG2-CG2 4.37Å; V1512-I1725 HydrophobicContact CG2-CG2 4.48Å; V1512-F1747 HydrophobicContact CG2-CE1 4.28Å; V1512-F1747 HydrophobicContact CG2-CE2 4.39Å; V1512-F1747 HydrophobicContact CG2-CZ 3.59Å |
| 1513 | T | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -11 | -178.1 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | G1481 F1482 D1545 Q1760 T1763 V1765 V1801 | G1481-T1513 WeakPolarHBondContact CA-OG1 3.23Å; F1482-T1513 PolarHBondContact O-N 2.66Å; F1482-T1513 PolarHBondContact O-OG1 3.07Å; T1513-D1545 PolarHBondContact O-N 3.43Å; T1513-Q1760 PolarHBondContact O-NE2 2.82Å; T1513-Q1760 PolarHBondContact OG1-OE1 3.46Å; T1513-T1763 HydrophobicContact CG2-CG2 3.55Å; T1513-V1765 HydrophobicContact CG2-CG2 4.47Å; T1513-V1801 HydrophobicContact CG2-CG1 3.39Å |
| 1514 | L | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 122.5 | 178.1 | 178.4 | 59.9 | 0 | 0 | 0 | 110.1 | F1482 I1483 D1484 V1512 D1545 L1757 V1824 | F1482-L1514 PolarHBondContact O-N 2.97Å; I1483-L1514 WeakPolarHBondContact CA-O 3.49Å; I1483-L1514 HydrophobicContact CD1-CD2 4.13Å; I1483-L1514 HydrophobicContact CG1-CB 4.18Å; I1483-L1514 HydrophobicContact CG1-CD2 4.16Å; I1483-L1514 HydrophobicContact CG2-CB 4.33Å; I1483-L1514 HydrophobicContact CG2-CD2 4.06Å; I1483-L1514 HydrophobicContact CG2-CG 4.13Å; D1484-L1514 PolarHBondContact N-O 3.32Å; V1512-L1514 VanDerWaalsContact CG1-O 3.29Å; V1512-L1514 WeakPolarHBondContact CG1-O 3.25Å; L1514-D1545 VanDerWaalsContact CA-O 3.26Å; L1514-D1545 WeakPolarHBondContact CA-O 3.5Å; L1514-D1545 VanDerWaalsContact CD1-C 3.5Å; L1514-D1545 HydrophobicContact CD1-CB 3.78Å; L1514-L1757 HydrophobicContact CD2-CB 4.18Å; L1514-L1757 HydrophobicContact CD2-CD1 3.78Å; L1514-L1757 HydrophobicContact CD2-CD2 4.35Å; L1514-L1757 HydrophobicContact CD2-CG 4.31Å; L1514-V1824 HydrophobicContact CD1-CG1 3.76Å; L1514-V1824 HydrophobicContact CD1-CG2 3.97Å; L1514-V1824 HydrophobicContact CD2-CG2 4.43Å |
| 1515 | V | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.1 | 175.4 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | D1484 V1487 L1489 T1504 A1507 V1512 D1545 Y1546 A1547 | D1484-V1515 CarbonylContact O-C 3.57Å; D1484-V1515 WeakPolarHBondContact O-CA 3.44Å; V1487-V1515 HydrophobicContact CB-CB 4.29Å; V1487-V1515 HydrophobicContact CG2-CB 3.97Å; V1487-V1515 HydrophobicContact CG2-CG1 3.95Å; L1489-V1515 HydrophobicContact CD1-CG2 4.23Å; T1504-V1515 HydrophobicContact CG2-CG2 4.01Å; A1507-V1515 HydrophobicContact CB-CG1 3.59Å; V1512-V1515 HydrophobicContact CG1-CG1 3.72Å; V1515-D1545 PolarHBondContact N-O 3.06Å; V1515-Y1546 CarbonylContact O-C 3.3Å; V1515-Y1546 VanDerWaalsContact O-CA 3.23Å; V1515-Y1546 WeakPolarHBondContact O-CA 3.38Å; V1515-A1547 PolarHBondContact O-N 3.13Å |
| 1516 | C | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 107.5 | 167.6 | -60 | 0 | 0 | 0 | 0 | 110 | D1484 V1485 V1487 A1547 Y1549 | D1484-C1516 PolarHBondContact O-N 3.12Å; V1485-C1516 WeakPolarHBondContact O-CB 3.47Å; V1487-C1516 PolarHBondContact N-O 2.96Å; C1516-A1547 CarbonylContact C-O 3.09Å; C1516-A1547 VanDerWaalsContact CA-O 3.28Å; C1516-A1547 WeakPolarHBondContact CA-O 3.49Å; C1516-Y1549 HydrophobicContact CB-CD2 4.14Å; C1516-Y1549 HydrophobicContact CB-CE2 3.43Å; C1516-Y1549 VanDerWaalsContact CB-CE2 3.43Å |
| 1517 | A | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.1 | -174 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1487 L1489 F1500 F1534 A1547 L1548 Y1549 | V1487-A1517 WeakPolarHBondContact O-CA 3.31Å; L1489-A1517 HydrophobicContact CD1-CB 3.94Å; F1500-A1517 HydrophobicContact CE1-CB 4.11Å; F1500-A1517 HydrophobicContact CZ-CB 4.22Å; A1517-F1534 HydrophobicContact CB-CE1 4.18Å; A1517-F1534 HydrophobicContact CB-CE2 4.42Å; A1517-F1534 HydrophobicContact CB-CZ 3.58Å; A1517-A1547 PolarHBondContact N-O 3.22Å; A1517-L1548 HydrophobicContact CB-CD2 3.89Å; A1517-Y1549 WeakPolarHBondContact O-CD2 3.46Å; A1517-Y1549 PolarHBondContact O-N 2.97Å; A1517-Y1549 VanDerWaalsContact O-N 3.12Å |
| 1518 | M | 94.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | -71.9 | 146.6 | -176.6 | -77.5 | -68.6 | 154.1 | 0 | 0 | 113.4 | H1486 V1487 H1488 N1520 Y1549 K1571 | H1486-M1518 HydrophobicContact CB-CE 3.96Å; H1486-M1518 WeakPolarHBondContact CD2-CE 3.37Å; H1486-M1518 VanDerWaalsContact CD2-CG 3.47Å; H1486-M1518 WeakPolarHBondContact CD2-CG 3.49Å; H1486-M1518 WeakPolarHBondContact NE2-CE 3.25Å; V1487-M1518 PolarHBondContact O-N 3.21Å; H1488-M1518 VanDerWaalsContact ND1-CB 3.34Å; H1488-M1518 WeakPolarHBondContact ND1-CB 3.49Å; M1518-N1520 WeakPolarHBondContact CB-OD1 3.32Å; M1518-Y1549 HydrophobicContact CE-CD2 3.64Å; M1518-Y1549 HydrophobicContact CE-CE2 3.22Å; M1518-Y1549 HydrophobicContact SD-CD2 3.87Å; M1518-Y1549 HydrophobicContact SD-CE2 4.1Å; M1518-K1571 HydrophobicContact CE-CD 4.1Å; M1518-K1571 HydrophobicContact SD-CD 3.79Å; M1518-K1571 HydrophobicContact SD-CG 4.04Å | ||
| 1519 | P | 93.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -89.5 | -1.7 | -170 | 35.1 | -31.3 | 0 | 0 | 0 | 114.4 | T1521 S1524 I1525 K1571 L1581 | P1519-T1521 PolarHBondContact O-N 3.33Å; P1519-S1524 WeakPolarHBondContact O-CA 3.49Å; P1519-I1525 HydrophobicContact CB-CB 3.81Å; P1519-I1525 HydrophobicContact CB-CG1 4.37Å; P1519-I1525 PolarHBondContact O-N 3.07Å; P1519-K1571 HydrophobicContact CG-CB 3.82Å; P1519-K1571 HydrophobicContact CG-CG 4.18Å; P1519-L1581 HydrophobicContact CG-CD1 4.32Å |
| 1520 | N | 88.9 | Confident | 93.3 | Very high | 19 Ų | 19 | 30.4 Ų | 30.4 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | trans | -81 | 50.8 | -179.6 | 64.7 | -23.9 | 0 | 0 | 0 | 112.5 | H1488 M1518 L1581 | H1488-N1520 PolarHBondContact CE1-ND2 3.42Å; H1488-N1520 PolarHBondContact CE1-OD1 2.89Å; H1488-N1520 PolarHBondContact ND1-ND2 3.19Å; H1488-N1520 PolarHBondContact ND1-OD1 3.32Å; M1518-N1520 WeakPolarHBondContact CB-OD1 3.32Å; N1520-L1581 HydrophobicContact CB-CD1 4.14Å | ||
| 1521 | T | 90.9 | Very high | 93.2 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -86.1 | -178 | 171.9 | 52 | 0 | 0 | 0 | 0 | 110.9 | P1492 P1519 P1523 S1524 I1525 F1534 | P1492-T1521 WeakPolarHBondContact O-CB 3.39Å; P1519-T1521 PolarHBondContact O-N 3.33Å; T1521-P1523 VanDerWaalsContact C-C 3.42Å; T1521-P1523 CarbonylContact C-O 3.47Å; T1521-P1523 WeakPolarHBondContact CB-O 3.21Å; T1521-P1523 CarbonylContact O-C 3.54Å; T1521-P1523 PolarHBondContact OG1-O 3.39Å; T1521-S1524 VanDerWaalsContact O-CA 3.26Å; T1521-S1524 WeakPolarHBondContact O-CA 3.29Å; T1521-S1524 PolarHBondContact O-N 2.85Å; T1521-S1524 VanDerWaalsContact O-N 3.08Å; T1521-S1524 PolarHBondContact O-OG 3.44Å; T1521-I1525 WeakPolarHBondContact OG1-CD1 3.46Å; T1521-I1525 VanDerWaalsContact OG1-CG1 3.31Å; T1521-I1525 WeakPolarHBondContact OG1-CG1 3.35Å; T1521-F1534 HydrophobicContact CG2-CE2 4.22Å |
| 1522 | N | 88.5 | Confident | 93.1 | Very high | 119 Ų | 119 | 33.5 Ų | 33.5 | 64% | 0.636 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -125 | 106.3 | 173.3 | -176.3 | 15.4 | 0 | 0 | 0 | 110.6 | P1492 G1493 | P1492-N1522 CarbonylContact C-O 3.44Å; P1492-N1522 PolarHBondContact O-N 2.97Å; P1492-N1522 VanDerWaalsContact O-N 3.14Å; G1493-N1522 WeakPolarHBondContact CA-O 3.17Å; G1493-N1522 PolarHBondContact N-O 3.33Å |
| 1523 | P | 90.6 | Very high | 92.9 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 38% | 0.377 | 19% | 0.192 | S | C | . | . | S | Bend | cis | -66.7 | 159.2 | -0.6 | 30.5 | -36.2 | 0 | 0 | 0 | 112.1 | T1521 T1530 | T1521-P1523 VanDerWaalsContact C-C 3.42Å; T1521-P1523 CarbonylContact C-O 3.47Å; T1521-P1523 WeakPolarHBondContact CB-O 3.21Å; T1521-P1523 CarbonylContact O-C 3.54Å; T1521-P1523 PolarHBondContact OG1-O 3.39Å; P1523-T1530 HydrophobicContact CB-CG2 4.23Å; P1523-T1530 HydrophobicContact CG-CG2 4Å |
| 1524 | S | 90.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | trans | -74 | 147 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | P1519 T1521 V1526 | P1519-S1524 WeakPolarHBondContact O-CA 3.49Å; T1521-S1524 VanDerWaalsContact O-CA 3.26Å; T1521-S1524 WeakPolarHBondContact O-CA 3.29Å; T1521-S1524 PolarHBondContact O-N 2.85Å; T1521-S1524 VanDerWaalsContact O-N 3.08Å; T1521-S1524 PolarHBondContact O-OG 3.44Å; S1524-V1526 PolarHBondContact O-N 3.42Å; S1524-V1526 VanDerWaalsContact O-N 3.15Å | ||
| 1525 | I | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -85.9 | 88.4 | -174.6 | -48 | -50 | 0 | 0 | 0 | 110 | P1519 T1521 F1531 F1534 V1550 G1551 | P1519-I1525 HydrophobicContact CB-CB 3.81Å; P1519-I1525 HydrophobicContact CB-CG1 4.37Å; P1519-I1525 PolarHBondContact O-N 3.07Å; T1521-I1525 WeakPolarHBondContact OG1-CD1 3.46Å; T1521-I1525 VanDerWaalsContact OG1-CG1 3.31Å; T1521-I1525 WeakPolarHBondContact OG1-CG1 3.35Å; I1525-F1531 HydrophobicContact CG2-CB 3.86Å; I1525-F1531 HydrophobicContact CG2-CD2 3.7Å; I1525-F1531 HydrophobicContact CG2-CG 4.23Å; I1525-F1534 HydrophobicContact CB-CD1 4.34Å; I1525-F1534 HydrophobicContact CD1-CB 3.79Å; I1525-F1534 HydrophobicContact CD1-CD1 4.34Å; I1525-F1534 HydrophobicContact CD1-CD2 4.27Å; I1525-F1534 HydrophobicContact CD1-CG 3.94Å; I1525-F1534 HydrophobicContact CG1-CB 4.1Å; I1525-F1534 HydrophobicContact CG1-CD1 3.71Å; I1525-F1534 HydrophobicContact CG1-CD2 4.24Å; I1525-F1534 HydrophobicContact CG1-CE1 4.05Å; I1525-F1534 HydrophobicContact CG1-CG 3.8Å; I1525-F1534 HydrophobicContact CG1-CZ 4.46Å; I1525-F1534 HydrophobicContact CG2-CB 4.32Å; I1525-F1534 HydrophobicContact CG2-CD1 3.99Å; I1525-F1534 HydrophobicContact CG2-CG 4.48Å; I1525-V1550 WeakPolarHBondContact O-CG2 3.47Å; I1525-G1551 PolarHBondContact O-N 3.29Å |
| 1526 | V | 92.5 | Very high | 92.3 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 17% | 0.17 | 22% | 0.224 | C | C | . | . | trans | -125.9 | -9.4 | -172.3 | -66.1 | 0 | 0 | 0 | 0 | 114.1 | S1524 T1530 N1556 L1581 | S1524-V1526 PolarHBondContact O-N 3.42Å; S1524-V1526 VanDerWaalsContact O-N 3.15Å; V1526-T1530 PolarHBondContact N-OG1 3.38Å; V1526-N1556 PolarHBondContact O-ND2 2.97Å; V1526-L1581 HydrophobicContact CG1-CD2 3.32Å | ||
| 1527 | D | 91.4 | Very high | 92.3 | Very high | 61 Ų | 61 | 46.8 Ų | 46.8 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -139.1 | 176.1 | -177.5 | 59.2 | 40.7 | 0 | 0 | 0 | 110.9 | E1529 T1530 F1531 | D1527-E1529 VanDerWaalsContact C-N 3.32Å; D1527-E1529 PolarHBondContact O-N 2.92Å; D1527-E1529 PolarHBondContact OD1-N 3.34Å; D1527-E1529 VanDerWaalsContact OD1-N 3.14Å; D1527-T1530 PolarHBondContact N-OG1 3.08Å; D1527-T1530 PolarHBondContact O-OG1 3.28Å; D1527-T1530 WeakPolarHBondContact OD1-CB 3.38Å; D1527-T1530 WeakPolarHBondContact OD1-CG2 3.36Å; D1527-T1530 PolarHBondContact OD1-N 3.23Å; D1527-T1530 PolarHBondContact OD1-OG1 2.72Å; D1527-F1531 WeakPolarHBondContact O-CB 3.1Å; D1527-F1531 PolarHBondContact O-N 2.91Å |
| 1528 | R | 90.2 | Very high | 92.2 | Very high | 141 Ų | 141 | 46.8 Ų | 46.8 | 53% | 0.532 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.1 | -35.4 | -177.8 | -179.9 | 174.1 | -69.1 | 177.1 | 5.2 | 112.7 | T1532 E1562 L1563 | R1528-T1532 WeakPolarHBondContact O-CB 3.24Å; R1528-T1532 PolarHBondContact O-N 3.15Å; R1528-T1532 PolarHBondContact O-OG1 3.44Å; R1528-E1562 IonicContact CZ-OE2 3.51Å; R1528-E1562 IonicContact NH2-OE2 2.71Å; R1528-E1562 PolarHBondContact NH2-OE2 3.43Å; R1528-L1563 HydrophobicContact CB-CD2 4.14Å; R1528-L1563 HydrophobicContact CG-CD2 4.26Å |
| 1529 | E | 91.7 | Very high | 92.1 | Very high | 164 Ų | 164 | 52.4 Ų | 52.4 | 77% | 0.766 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.6 | -53.7 | -176.7 | -174.8 | 175.7 | 177.4 | 0 | 0 | 110.4 | D1527 F1531 T1532 Q1533 | D1527-E1529 VanDerWaalsContact C-N 3.32Å; D1527-E1529 PolarHBondContact O-N 2.92Å; D1527-E1529 PolarHBondContact OD1-N 3.34Å; D1527-E1529 VanDerWaalsContact OD1-N 3.14Å; E1529-F1531 VanDerWaalsContact C-N 3.33Å; E1529-F1531 PolarHBondContact O-N 3.1Å; E1529-T1532 PolarHBondContact O-N 2.96Å; E1529-Q1533 PolarHBondContact O-N 3.46Å |
| 1530 | T | 92.8 | Very high | 92.1 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 175.1 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | P1523 V1526 D1527 T1532 Q1533 F1534 | P1523-T1530 HydrophobicContact CB-CG2 4.23Å; P1523-T1530 HydrophobicContact CG-CG2 4Å; V1526-T1530 PolarHBondContact N-OG1 3.38Å; D1527-T1530 PolarHBondContact N-OG1 3.08Å; D1527-T1530 PolarHBondContact O-OG1 3.28Å; D1527-T1530 WeakPolarHBondContact OD1-CB 3.38Å; D1527-T1530 WeakPolarHBondContact OD1-CG2 3.36Å; D1527-T1530 PolarHBondContact OD1-N 3.23Å; D1527-T1530 PolarHBondContact OD1-OG1 2.72Å; T1530-T1532 PolarHBondContact O-N 3.38Å; T1530-Q1533 PolarHBondContact O-N 2.79Å; T1530-F1534 WeakPolarHBondContact O-CB 3.47Å; T1530-F1534 PolarHBondContact O-N 3.29Å |
| 1531 | F | 93.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 176.4 | -169.1 | -89.5 | 0 | 0 | 0 | 112.7 | I1525 D1527 E1529 F1534 Q1535 L1548 V1550 L1563 H1566 A1567 | I1525-F1531 HydrophobicContact CG2-CB 3.86Å; I1525-F1531 HydrophobicContact CG2-CD2 3.7Å; I1525-F1531 HydrophobicContact CG2-CG 4.23Å; D1527-F1531 WeakPolarHBondContact O-CB 3.1Å; D1527-F1531 PolarHBondContact O-N 2.91Å; E1529-F1531 VanDerWaalsContact C-N 3.33Å; E1529-F1531 PolarHBondContact O-N 3.1Å; F1531-F1534 WeakPolarHBondContact O-CB 3.37Å; F1531-F1534 PolarHBondContact O-N 3.19Å; F1531-Q1535 HydrophobicContact CD1-CG 4.08Å; F1531-Q1535 VanDerWaalsContact CE1-CD 3.4Å; F1531-Q1535 HydrophobicContact CE1-CG 3.82Å; F1531-Q1535 HydrophobicContact CZ-CG 4.5Å; F1531-Q1535 WeakPolarHBondContact O-CG 3.44Å; F1531-Q1535 PolarHBondContact O-N 3.34Å; F1531-L1548 HydrophobicContact CE2-CB 3.88Å; F1531-L1548 HydrophobicContact CZ-CB 4.03Å; F1531-L1548 HydrophobicContact CZ-CD1 4.42Å; F1531-V1550 HydrophobicContact CD2-CB 4.22Å; F1531-V1550 HydrophobicContact CE2-CB 4.42Å; F1531-L1563 HydrophobicContact CB-CD1 4.04Å; F1531-L1563 HydrophobicContact CB-CD2 4.39Å; F1531-L1563 HydrophobicContact CD1-CD2 4.12Å; F1531-L1563 HydrophobicContact CG-CD1 4.26Å; F1531-L1563 HydrophobicContact CG-CD2 4.3Å; F1531-H1566 HydrophobicContact CE1-CB 3.64Å; F1531-H1566 HydrophobicContact CZ-CB 4.01Å; F1531-A1567 HydrophobicContact CE2-CB 3.96Å; F1531-A1567 HydrophobicContact CZ-CB 4.14Å |
| 1532 | T | 92 | Very high | 92.7 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | R1528 E1529 T1530 F1534 Q1535 E1536 | R1528-T1532 WeakPolarHBondContact O-CB 3.24Å; R1528-T1532 PolarHBondContact O-N 3.15Å; R1528-T1532 PolarHBondContact O-OG1 3.44Å; E1529-T1532 PolarHBondContact O-N 2.96Å; T1530-T1532 PolarHBondContact O-N 3.38Å; T1532-F1534 VanDerWaalsContact C-N 3.3Å; T1532-F1534 PolarHBondContact O-N 2.84Å; T1532-Q1535 WeakPolarHBondContact O-CB 3.34Å; T1532-Q1535 PolarHBondContact O-N 3.3Å; T1532-E1536 PolarHBondContact O-N 2.85Å |
| 1533 | Q | 93 | Very high | 93.1 | Very high | 89 Ų | 89 | 51.2 Ų | 51.2 | 42% | 0.416 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 173.2 | -174.6 | -175.1 | 21.8 | 0 | 0 | 111.3 | E1529 T1530 Q1535 E1536 L1537 | E1529-Q1533 PolarHBondContact O-N 3.46Å; T1530-Q1533 PolarHBondContact O-N 2.79Å; Q1533-Q1535 VanDerWaalsContact C-N 3.32Å; Q1533-Q1535 PolarHBondContact O-N 2.84Å; Q1533-E1536 PolarHBondContact O-N 2.96Å; Q1533-L1537 HydrophobicContact CG-CD1 3.95Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.36Å; Q1533-L1537 PolarHBondContact O-N 3.12Å |
| 1534 | F | 93.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 177.7 | -164.8 | -146 | 0 | 0 | 0 | 111.9 | E1491 F1500 A1517 T1521 I1525 T1530 F1531 T1532 A1538 L1548 | E1491-F1534 WeakPolarHBondContact O-CD2 3.49Å; E1491-F1534 VanDerWaalsContact O-CE2 3.28Å; E1491-F1534 WeakPolarHBondContact O-CE2 3.26Å; F1500-F1534 AromaticContact CE2-CD2 3.77Å; F1500-F1534 HydrophobicContact CE2-CD2 3.77Å; F1500-F1534 AromaticContact CE2-CE2 3.58Å; F1500-F1534 HydrophobicContact CE2-CE2 3.58Å; F1500-F1534 AromaticContact CZ-CD2 3.73Å; F1500-F1534 HydrophobicContact CZ-CD2 3.73Å; F1500-F1534 AromaticContact CZ-CE2 3.33Å; F1500-F1534 HydrophobicContact CZ-CE2 3.33Å; F1500-F1534 AromaticContact CZ-CZ 3.95Å; F1500-F1534 HydrophobicContact CZ-CZ 3.95Å; A1517-F1534 HydrophobicContact CB-CE1 4.18Å; A1517-F1534 HydrophobicContact CB-CE2 4.42Å; A1517-F1534 HydrophobicContact CB-CZ 3.58Å; T1521-F1534 HydrophobicContact CG2-CE2 4.22Å; I1525-F1534 HydrophobicContact CB-CD1 4.34Å; I1525-F1534 HydrophobicContact CD1-CB 3.79Å; I1525-F1534 HydrophobicContact CD1-CD1 4.34Å; I1525-F1534 HydrophobicContact CD1-CD2 4.27Å; I1525-F1534 HydrophobicContact CD1-CG 3.94Å; I1525-F1534 HydrophobicContact CG1-CB 4.1Å; I1525-F1534 HydrophobicContact CG1-CD1 3.71Å; I1525-F1534 HydrophobicContact CG1-CD2 4.24Å; I1525-F1534 HydrophobicContact CG1-CE1 4.05Å; I1525-F1534 HydrophobicContact CG1-CG 3.8Å; I1525-F1534 HydrophobicContact CG1-CZ 4.46Å; I1525-F1534 HydrophobicContact CG2-CB 4.32Å; I1525-F1534 HydrophobicContact CG2-CD1 3.99Å; I1525-F1534 HydrophobicContact CG2-CG 4.48Å; T1530-F1534 WeakPolarHBondContact O-CB 3.47Å; T1530-F1534 PolarHBondContact O-N 3.29Å; F1531-F1534 WeakPolarHBondContact O-CB 3.37Å; F1531-F1534 PolarHBondContact O-N 3.19Å; T1532-F1534 VanDerWaalsContact C-N 3.3Å; T1532-F1534 PolarHBondContact O-N 2.84Å; F1534-A1538 VanDerWaalsContact O-CB 3.22Å; F1534-A1538 WeakPolarHBondContact O-CB 3.37Å; F1534-A1538 PolarHBondContact O-N 3.46Å; F1534-L1548 HydrophobicContact CD1-CB 3.9Å; F1534-L1548 HydrophobicContact CD1-CD1 3.85Å; F1534-L1548 HydrophobicContact CD1-CD2 3.85Å; F1534-L1548 HydrophobicContact CD1-CG 4.07Å; F1534-L1548 HydrophobicContact CE1-CB 3.9Å; F1534-L1548 HydrophobicContact CE1-CD1 4.46Å; F1534-L1548 HydrophobicContact CE1-CD2 3.65Å; F1534-L1548 HydrophobicContact CE1-CG 4.19Å; F1534-L1548 HydrophobicContact CG-CD1 4.28Å; F1534-L1548 HydrophobicContact CG-CD2 4.44Å; F1534-L1548 HydrophobicContact CZ-CD2 4.07Å |
| 1535 | Q | 92.5 | Very high | 93.5 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 17% | 0.173 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 175.1 | -77.6 | -179.4 | -54.8 | 0 | 0 | 113.2 | F1531 T1532 Q1533 K1539 L1548 | F1531-Q1535 HydrophobicContact CD1-CG 4.08Å; F1531-Q1535 VanDerWaalsContact CE1-CD 3.4Å; F1531-Q1535 HydrophobicContact CE1-CG 3.82Å; F1531-Q1535 HydrophobicContact CZ-CG 4.5Å; F1531-Q1535 WeakPolarHBondContact O-CG 3.44Å; F1531-Q1535 PolarHBondContact O-N 3.34Å; T1532-Q1535 WeakPolarHBondContact O-CB 3.34Å; T1532-Q1535 PolarHBondContact O-N 3.3Å; Q1533-Q1535 VanDerWaalsContact C-N 3.32Å; Q1533-Q1535 PolarHBondContact O-N 2.84Å; Q1535-K1539 WeakPolarHBondContact O-CB 3.42Å; Q1535-K1539 PolarHBondContact O-N 2.75Å; Q1535-L1548 HydrophobicContact CB-CD1 4.19Å; Q1535-L1548 HydrophobicContact CG-CD1 3.4Å; Q1535-L1548 VanDerWaalsContact CG-CD1 3.4Å |
| 1536 | E | 93.3 | Very high | 93.6 | Very high | 107 Ų | 107 | 48.2 Ų | 48.2 | 50% | 0.5 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69 | -40.1 | -179.6 | -69.4 | -58.2 | 140.4 | 0 | 0 | 112 | T1532 Q1533 K1539 A1540 | T1532-E1536 PolarHBondContact O-N 2.85Å; Q1533-E1536 PolarHBondContact O-N 2.96Å; E1536-K1539 PolarHBondContact O-N 2.89Å; E1536-K1539 IonicContact OE2-NZ 3.62Å; E1536-A1540 WeakPolarHBondContact O-CB 3.35Å; E1536-A1540 PolarHBondContact O-N 2.79Å |
| 1537 | L | 95.3 | Very high | 93.7 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 174.3 | -69.1 | 167.7 | 0 | 0 | 0 | 111.4 | E1491 P1492 F1500 Q1533 K1539 A1540 G1541 | E1491-L1537 HydrophobicContact CG-CB 4.18Å; E1491-L1537 HydrophobicContact CG-CD1 3.99Å; E1491-L1537 HydrophobicContact CG-CD2 4.34Å; E1491-L1537 HydrophobicContact CG-CG 4.39Å; P1492-L1537 HydrophobicContact CB-CD1 3.81Å; P1492-L1537 HydrophobicContact CG-CD1 4.08Å; F1500-L1537 HydrophobicContact CD2-CB 4.35Å; F1500-L1537 HydrophobicContact CE2-CB 4.35Å; Q1533-L1537 HydrophobicContact CG-CD1 3.95Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.36Å; Q1533-L1537 PolarHBondContact O-N 3.12Å; L1537-K1539 VanDerWaalsContact C-N 3.31Å; L1537-K1539 PolarHBondContact O-N 3.12Å; L1537-A1540 PolarHBondContact O-N 3.24Å; L1537-G1541 PolarHBondContact O-N 3.21Å |
| 1538 | A | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1500 F1534 A1540 G1541 A1542 Y1546 L1548 | F1500-A1538 HydrophobicContact CD1-CB 3.71Å; F1500-A1538 HydrophobicContact CD2-CB 4.26Å; F1500-A1538 HydrophobicContact CE1-CB 3.28Å; F1500-A1538 HydrophobicContact CE2-CB 3.88Å; F1500-A1538 HydrophobicContact CG-CB 4.2Å; F1500-A1538 HydrophobicContact CZ-CB 3.38Å; F1534-A1538 VanDerWaalsContact O-CB 3.22Å; F1534-A1538 WeakPolarHBondContact O-CB 3.37Å; F1534-A1538 PolarHBondContact O-N 3.46Å; A1538-A1540 VanDerWaalsContact C-N 3.3Å; A1538-A1540 PolarHBondContact O-N 2.91Å; A1538-G1541 PolarHBondContact O-N 3.48Å; A1538-A1542 WeakPolarHBondContact O-CB 3.2Å; A1538-A1542 PolarHBondContact O-N 3.16Å; A1538-Y1546 HydrophobicContact CB-CD1 4.49Å; A1538-Y1546 HydrophobicContact CB-CD2 3.72Å; A1538-Y1546 HydrophobicContact CB-CE1 4.08Å; A1538-Y1546 HydrophobicContact CB-CE2 3.21Å; A1538-Y1546 HydrophobicContact CB-CG 4.32Å; A1538-Y1546 VanDerWaalsContact CB-CZ 3.41Å; A1538-L1548 HydrophobicContact CB-CD2 4.2Å |
| 1539 | K | 92.9 | Very high | 94.2 | Very high | 121 Ų | 121 | 37.3 Ų | 37.3 | 53% | 0.526 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -33.6 | 179.2 | -179.2 | -177.3 | 171.3 | -165.5 | 0 | 112.3 | Q1535 E1536 L1537 Y1546 G1819 | Q1535-K1539 WeakPolarHBondContact O-CB 3.42Å; Q1535-K1539 PolarHBondContact O-N 2.75Å; E1536-K1539 PolarHBondContact O-N 2.89Å; E1536-K1539 IonicContact OE2-NZ 3.62Å; L1537-K1539 VanDerWaalsContact C-N 3.31Å; L1537-K1539 PolarHBondContact O-N 3.12Å; K1539-Y1546 WeakPolarHBondContact CA-OH 3.45Å; K1539-Y1546 WeakPolarHBondContact CB-OH 3.48Å; K1539-Y1546 PolarHBondContact N-OH 2.77Å; K1539-Y1546 VanDerWaalsContact N-OH 3.08Å; K1539-G1819 VanDerWaalsContact O-CA 3.29Å; K1539-G1819 WeakPolarHBondContact O-CA 3.4Å |
| 1540 | A | 93.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 29.5 Ų | 29.5 | 56% | 0.562 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -79.5 | -36.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1536 L1537 A1538 P1818 G1819 | E1536-A1540 WeakPolarHBondContact O-CB 3.35Å; E1536-A1540 PolarHBondContact O-N 2.79Å; L1537-A1540 PolarHBondContact O-N 3.24Å; A1538-A1540 VanDerWaalsContact C-N 3.3Å; A1538-A1540 PolarHBondContact O-N 2.91Å; A1540-P1818 CarbonylContact O-C 3.35Å; A1540-G1819 WeakPolarHBondContact O-CA 3.41Å; A1540-G1819 PolarHBondContact O-N 2.92Å; A1540-G1819 VanDerWaalsContact O-N 3.12Å |
| 1541 | G | 94.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 8% | 0.082 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -98.7 | -34.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1501 L1537 A1538 P1818 | A1501-G1541 WeakPolarHBondContact CA-O 3.24Å; A1501-G1541 WeakPolarHBondContact CB-O 3.31Å; A1501-G1541 PolarHBondContact N-O 2.9Å; L1537-G1541 PolarHBondContact O-N 3.21Å; A1538-G1541 PolarHBondContact O-N 3.48Å; G1541-P1818 WeakPolarHBondContact O-CA 3.47Å; G1541-P1818 WeakPolarHBondContact O-CB 3.06Å |
| 1542 | A | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -66.4 | 139.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1500 T1504 A1538 Y1546 G1819 F1820 G1821 | F1500-A1542 HydrophobicContact CD1-CB 4.3Å; T1504-A1542 HydrophobicContact CG2-CB 4.15Å; A1538-A1542 WeakPolarHBondContact O-CB 3.2Å; A1538-A1542 PolarHBondContact O-N 3.16Å; A1542-Y1546 HydrophobicContact CB-CD1 3.36Å; A1542-Y1546 HydrophobicContact CB-CE1 3.61Å; A1542-Y1546 HydrophobicContact CB-CG 4.31Å; A1542-G1819 CarbonylContact O-C 3.57Å; A1542-G1819 WeakPolarHBondContact O-CA 2.66Å; A1542-G1819 PolarHBondContact O-N 3.23Å; A1542-F1820 PolarHBondContact O-N 3.03Å; A1542-F1820 VanDerWaalsContact O-N 3.11Å; A1542-G1821 PolarHBondContact O-N 3.2Å | ||
| 1543 | R | 96.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 26.6 Ų | 26.6 | 19% | 0.185 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -106.1 | -31.9 | 177.2 | -62.9 | -170.6 | -171.5 | -135.3 | 7 | 112.7 | A1501 T1504 L1508 V1816 | A1501-R1543 PolarHBondContact O-NE 3.44Å; T1504-R1543 WeakPolarHBondContact OG1-CB 3.41Å; T1504-R1543 PolarHBondContact OG1-N 3.1Å; L1508-R1543 HydrophobicContact CD1-CB 3.92Å; R1543-V1816 HydrophobicContact CB-CG2 3.95Å; R1543-V1816 PolarHBondContact NH1-O 3.45Å |
| 1544 | C | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -103.2 | 168.1 | 166.2 | 71.2 | 0 | 0 | 0 | 0 | 111 | T1504 L1508 L1803 G1821 | T1504-C1544 VanDerWaalsContact CB-SG 3.56Å; L1508-C1544 HydrophobicContact CD1-CB 4.5Å; L1508-C1544 HydrophobicContact CD2-CB 3.71Å; L1508-C1544 HydrophobicContact CG-CB 3.89Å; C1544-L1803 HydrophobicContact CB-CD2 4.3Å; C1544-G1821 WeakPolarHBondContact O-CA 3.48Å |
| 1545 | D | 95.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 155.4 | 176.8 | -72.1 | -22.6 | 0 | 0 | 0 | 111 | T1513 L1514 V1515 Q1760 R1804 Q1822 V1824 | T1513-D1545 PolarHBondContact O-N 3.43Å; L1514-D1545 VanDerWaalsContact CA-O 3.26Å; L1514-D1545 WeakPolarHBondContact CA-O 3.5Å; L1514-D1545 VanDerWaalsContact CD1-C 3.5Å; L1514-D1545 HydrophobicContact CD1-CB 3.78Å; V1515-D1545 PolarHBondContact N-O 3.06Å; D1545-Q1760 PolarHBondContact OD2-NE2 3.42Å; D1545-R1804 IonicContact OD1-CZ 2.68Å; D1545-R1804 IonicContact OD1-NH1 3.89Å; D1545-R1804 PolarHBondContact OD1-NH1 2.86Å; D1545-R1804 IonicContact OD2-NH1 3.25Å; D1545-R1804 PolarHBondContact OD2-NH1 2.88Å; D1545-Q1822 WeakPolarHBondContact CA-O 3.46Å; D1545-Q1822 WeakPolarHBondContact OD1-CB 3.47Å; D1545-Q1822 PolarHBondContact OD1-N 2.85Å; D1545-V1824 HydrophobicContact CB-CG1 3.91Å |
| 1546 | Y | 95.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.2 | -175.7 | 62.6 | -87.7 | 0 | 0 | 0 | 111.8 | V1515 A1538 K1539 A1542 L1548 Q1822 N1823 V1824 | V1515-Y1546 CarbonylContact O-C 3.3Å; V1515-Y1546 VanDerWaalsContact O-CA 3.23Å; V1515-Y1546 WeakPolarHBondContact O-CA 3.38Å; A1538-Y1546 HydrophobicContact CB-CD1 4.49Å; A1538-Y1546 HydrophobicContact CB-CD2 3.72Å; A1538-Y1546 HydrophobicContact CB-CE1 4.08Å; A1538-Y1546 HydrophobicContact CB-CE2 3.21Å; A1538-Y1546 HydrophobicContact CB-CG 4.32Å; A1538-Y1546 VanDerWaalsContact CB-CZ 3.41Å; K1539-Y1546 WeakPolarHBondContact CA-OH 3.45Å; K1539-Y1546 WeakPolarHBondContact CB-OH 3.48Å; K1539-Y1546 PolarHBondContact N-OH 2.77Å; K1539-Y1546 VanDerWaalsContact N-OH 3.08Å; A1542-Y1546 HydrophobicContact CB-CD1 3.36Å; A1542-Y1546 HydrophobicContact CB-CE1 3.61Å; A1542-Y1546 HydrophobicContact CB-CG 4.31Å; Y1546-L1548 HydrophobicContact CD2-CD2 3.6Å; Y1546-L1548 HydrophobicContact CD2-CG 3.98Å; Y1546-L1548 HydrophobicContact CE2-CD1 4.26Å; Y1546-L1548 HydrophobicContact CE2-CD2 4.06Å; Y1546-L1548 HydrophobicContact CE2-CG 4.19Å; Y1546-Q1822 PolarHBondContact N-O 2.63Å; Y1546-N1823 HydrophobicContact CD2-CB 4.26Å; Y1546-N1823 HydrophobicContact CE2-CB 3.57Å; Y1546-N1823 WeakPolarHBondContact O-CA 3.47Å; Y1546-V1824 PolarHBondContact O-N 2.81Å; Y1546-V1824 VanDerWaalsContact O-N 3.11Å |
| 1547 | A | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 150.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V1515 C1516 A1517 C1568 L1757 V1824 | V1515-A1547 PolarHBondContact O-N 3.13Å; C1516-A1547 CarbonylContact C-O 3.09Å; C1516-A1547 VanDerWaalsContact CA-O 3.28Å; C1516-A1547 WeakPolarHBondContact CA-O 3.49Å; A1517-A1547 PolarHBondContact N-O 3.22Å; A1547-C1568 HydrophobicContact CB-CB 3.61Å; A1547-L1757 HydrophobicContact CB-CD2 4.15Å; A1547-V1824 HydrophobicContact CB-CG2 3.87Å |
| 1548 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.9 | -170.2 | -55.1 | 179.2 | 0 | 0 | 0 | 110.4 | F1500 A1517 F1531 F1534 Q1535 A1538 Y1546 A1567 C1568 | F1500-L1548 HydrophobicContact CE1-CD2 4.26Å; F1500-L1548 HydrophobicContact CZ-CD2 4.14Å; A1517-L1548 HydrophobicContact CB-CD2 3.89Å; F1531-L1548 HydrophobicContact CE2-CB 3.88Å; F1531-L1548 HydrophobicContact CZ-CB 4.03Å; F1531-L1548 HydrophobicContact CZ-CD1 4.42Å; F1534-L1548 HydrophobicContact CD1-CB 3.9Å; F1534-L1548 HydrophobicContact CD1-CD1 3.85Å; F1534-L1548 HydrophobicContact CD1-CD2 3.85Å; F1534-L1548 HydrophobicContact CD1-CG 4.07Å; F1534-L1548 HydrophobicContact CE1-CB 3.9Å; F1534-L1548 HydrophobicContact CE1-CD1 4.46Å; F1534-L1548 HydrophobicContact CE1-CD2 3.65Å; F1534-L1548 HydrophobicContact CE1-CG 4.19Å; F1534-L1548 HydrophobicContact CG-CD1 4.28Å; F1534-L1548 HydrophobicContact CG-CD2 4.44Å; F1534-L1548 HydrophobicContact CZ-CD2 4.07Å; Q1535-L1548 HydrophobicContact CB-CD1 4.19Å; Q1535-L1548 HydrophobicContact CG-CD1 3.4Å; Q1535-L1548 VanDerWaalsContact CG-CD1 3.4Å; A1538-L1548 HydrophobicContact CB-CD2 4.2Å; Y1546-L1548 HydrophobicContact CD2-CD2 3.6Å; Y1546-L1548 HydrophobicContact CD2-CG 3.98Å; Y1546-L1548 HydrophobicContact CE2-CD1 4.26Å; Y1546-L1548 HydrophobicContact CE2-CD2 4.06Å; Y1546-L1548 HydrophobicContact CE2-CG 4.19Å; L1548-A1567 CarbonylContact O-C 3.28Å; L1548-A1567 WeakPolarHBondContact O-CA 3.31Å; L1548-C1568 PolarHBondContact O-N 2.82Å; L1548-C1568 PolarHBondContact O-SG 3.3Å; L1548-C1568 VanDerWaalsContact O-SG 3.4Å |
| 1549 | Y | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -78.5 | 155.7 | 167.9 | -76 | -72.2 | 0 | 0 | 0 | 111.1 | V1485 C1516 A1517 M1518 C1568 G1569 K1571 V1603 F1755 | V1485-Y1549 VanDerWaalsContact O-CE2 3.24Å; V1485-Y1549 WeakPolarHBondContact O-CE2 3.43Å; V1485-Y1549 PolarHBondContact O-OH 2.93Å; C1516-Y1549 HydrophobicContact CB-CD2 4.14Å; C1516-Y1549 HydrophobicContact CB-CE2 3.43Å; C1516-Y1549 VanDerWaalsContact CB-CE2 3.43Å; A1517-Y1549 WeakPolarHBondContact O-CD2 3.46Å; A1517-Y1549 PolarHBondContact O-N 2.97Å; A1517-Y1549 VanDerWaalsContact O-N 3.12Å; M1518-Y1549 HydrophobicContact CE-CD2 3.64Å; M1518-Y1549 HydrophobicContact CE-CE2 3.22Å; M1518-Y1549 HydrophobicContact SD-CD2 3.87Å; M1518-Y1549 HydrophobicContact SD-CE2 4.1Å; Y1549-C1568 VanDerWaalsContact CD1-SG 3.54Å; Y1549-C1568 VanDerWaalsContact CE1-SG 3.54Å; Y1549-G1569 WeakPolarHBondContact CD1-O 3.48Å; Y1549-K1571 HydrophobicContact CD1-CB 4.25Å; Y1549-K1571 HydrophobicContact CG-CB 4.39Å; Y1549-V1603 HydrophobicContact CE1-CB 4.19Å; Y1549-V1603 HydrophobicContact CE1-CG2 3.62Å; Y1549-F1755 HydrophobicContact CE1-CE1 4.2Å; Y1549-F1755 AromaticContact CZ-CE1 3.98Å; Y1549-F1755 WeakPolarHBondContact OH-CE1 3.13Å | ||
| 1550 | V | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.8 | 159 | 65.9 | 0 | 0 | 0 | 0 | 108.6 | I1525 F1531 V1560 L1563 A1567 G1569 L1570 K1571 W1596 | I1525-V1550 WeakPolarHBondContact O-CG2 3.47Å; F1531-V1550 HydrophobicContact CD2-CB 4.22Å; F1531-V1550 HydrophobicContact CE2-CB 4.42Å; V1550-V1560 HydrophobicContact CB-CG2 4.25Å; V1550-V1560 HydrophobicContact CG1-CG2 3.67Å; V1550-V1560 HydrophobicContact CG2-CG2 3.52Å; V1550-L1563 HydrophobicContact CG2-CD1 3.91Å; V1550-A1567 HydrophobicContact CB-CB 4.34Å; V1550-A1567 HydrophobicContact CG1-CB 3.95Å; V1550-G1569 PolarHBondContact N-O 3.1Å; V1550-L1570 HydrophobicContact CG1-CD1 3.94Å; V1550-K1571 PolarHBondContact O-N 2.93Å; V1550-W1596 HydrophobicContact CG1-CH2 3.54Å; V1550-W1596 HydrophobicContact CG1-CZ2 4.34Å; V1550-W1596 HydrophobicContact CG1-CZ3 4.1Å |
| 1551 | G | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 142.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1525 N1556 | I1525-G1551 PolarHBondContact O-N 3.29Å; G1551-N1556 PolarHBondContact O-ND2 2.95Å |
| 1552 | A | 92.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -83.3 | 129 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | L1570 K1571 M1572 L1583 | A1552-L1570 HydrophobicContact CB-CD1 4.01Å; A1552-L1570 HydrophobicContact CB-CD2 4.46Å; A1552-L1570 HydrophobicContact CB-CG 4.21Å; A1552-K1571 PolarHBondContact N-O 3.06Å; A1552-M1572 HydrophobicContact CB-CB 4.44Å; A1552-M1572 HydrophobicContact CB-CG 3.76Å; A1552-L1583 HydrophobicContact CB-CD1 4.09Å; A1552-L1583 HydrophobicContact CB-CD2 4.13Å; A1552-L1583 HydrophobicContact CB-CG 4.46Å | ||
| 1553 | S | 91.1 | Very high | 91.8 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | trans | -113.6 | 169.2 | 165.9 | 68.5 | 0 | 0 | 0 | 0 | 109.7 | D1555 N1556 L1583 H1592 | S1553-D1555 WeakPolarHBondContact CB-OD1 3.34Å; S1553-D1555 PolarHBondContact O-N 3.29Å; S1553-D1555 VanDerWaalsContact O-N 3.15Å; S1553-D1555 PolarHBondContact OG-OD1 2.75Å; S1553-N1556 PolarHBondContact N-OD1 3.37Å; S1553-N1556 PolarHBondContact O-OD1 3.2Å; S1553-N1556 VanDerWaalsContact OG-CB 3.27Å; S1553-N1556 WeakPolarHBondContact OG-CB 3.26Å; S1553-N1556 PolarHBondContact OG-N 2.99Å; S1553-N1556 PolarHBondContact OG-OD1 3.34Å; S1553-L1583 WeakPolarHBondContact O-CD2 3.04Å; S1553-H1592 PolarHBondContact O-NE2 2.8Å | ||
| 1554 | D | 87 | Confident | 91.3 | Very high | 52 Ų | 52 | 31.7 Ų | 31.7 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -63.1 | -21.1 | -179.6 | -74.9 | -39 | 0 | 0 | 0 | 113.6 | S1584 S1588 | D1554-S1584 PolarHBondContact OD1-N 3.26Å; D1554-S1584 PolarHBondContact OD1-OG 3.45Å; D1554-S1584 WeakPolarHBondContact OD2-CB 3.49Å; D1554-S1584 PolarHBondContact OD2-N 3.02Å; D1554-S1584 PolarHBondContact OD2-OG 3.15Å; D1554-S1588 VanDerWaalsContact OD1-CB 3.27Å; D1554-S1588 WeakPolarHBondContact OD1-CB 3.22Å; D1554-S1588 PolarHBondContact OD1-OG 2.71Å |
| 1555 | D | 87.2 | Confident | 90.8 | Very high | 130 Ų | 130 | 35.6 Ų | 35.6 | 70% | 0.695 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -114 | -16.8 | -170.6 | 58.5 | -22 | 0 | 0 | 0 | 115.2 | S1553 | S1553-D1555 WeakPolarHBondContact CB-OD1 3.34Å; S1553-D1555 PolarHBondContact O-N 3.29Å; S1553-D1555 VanDerWaalsContact O-N 3.15Å; S1553-D1555 PolarHBondContact OG-OD1 2.75Å |
| 1556 | N | 93.3 | Very high | 90.5 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -87.7 | -2.3 | -174.1 | 76.2 | -16.3 | 0 | 0 | 0 | 115.8 | V1526 G1551 S1553 A1558 Q1559 V1560 H1592 | V1526-N1556 PolarHBondContact O-ND2 2.97Å; G1551-N1556 PolarHBondContact O-ND2 2.95Å; S1553-N1556 PolarHBondContact N-OD1 3.37Å; S1553-N1556 PolarHBondContact O-OD1 3.2Å; S1553-N1556 VanDerWaalsContact OG-CB 3.27Å; S1553-N1556 WeakPolarHBondContact OG-CB 3.26Å; S1553-N1556 PolarHBondContact OG-N 2.99Å; S1553-N1556 PolarHBondContact OG-OD1 3.34Å; N1556-A1558 PolarHBondContact O-N 3.2Å; N1556-Q1559 PolarHBondContact O-N 3.36Å; N1556-V1560 HydrophobicContact CB-CB 4.49Å; N1556-V1560 VanDerWaalsContact O-CB 3.32Å; N1556-V1560 WeakPolarHBondContact O-CB 3.34Å; N1556-V1560 WeakPolarHBondContact O-CG1 3.44Å; N1556-V1560 PolarHBondContact O-N 2.99Å; N1556-H1592 PolarHBondContact OD1-CE1 2.65Å; N1556-H1592 PolarHBondContact OD1-NE2 2.89Å |
| 1557 | W | 89.4 | Confident | 90.3 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 24% | 0.242 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -54 | -27.6 | -175.5 | 62.2 | -91.6 | 0 | 0 | 0 | 114.8 | R1591 H1592 H1595 | W1557-R1591 HydrophobicContact CB-CB 4.11Å; W1557-R1591 HydrophobicContact CD2-CB 3.99Å; W1557-R1591 HydrophobicContact CD2-CG 4.32Å; W1557-R1591 HydrophobicContact CE3-CB 4.39Å; W1557-R1591 HydrophobicContact CG-CB 3.83Å; W1557-H1592 WeakPolarHBondContact CA-CE1 3.48Å; W1557-H1592 VanDerWaalsContact CB-CE1 3.41Å; W1557-H1592 WeakPolarHBondContact CB-CE1 3.44Å; W1557-H1592 PolarHBondContact N-CE1 3.27Å; W1557-H1595 HydrophobicContact CE3-CB 4.49Å; W1557-H1595 AromaticContact CE3-CD2 3.83Å; W1557-H1595 AromaticContact CE3-CE1 3.62Å; W1557-H1595 AromaticContact CE3-CG 3.73Å; W1557-H1595 AromaticContact CE3-ND1 3.59Å; W1557-H1595 AromaticContact CE3-NE2 3.79Å; W1557-H1595 AromaticContact CZ3-CD2 3.71Å; W1557-H1595 AromaticContact CZ3-CE1 3.46Å; W1557-H1595 VanDerWaalsContact CZ3-CE1 3.46Å; W1557-H1595 WeakPolarHBondContact CZ3-CE1 3.19Å; W1557-H1595 AromaticContact CZ3-ND1 3.92Å; W1557-H1595 AromaticContact CZ3-NE2 3.33Å; W1557-H1595 VanDerWaalsContact CZ3-NE2 3.33Å; W1557-H1595 WeakPolarHBondContact CZ3-NE2 3.29Å |
| 1558 | A | 85.5 | Confident | 90.2 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -81.9 | -21.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1556 N1561 | N1556-A1558 PolarHBondContact O-N 3.2Å; A1558-N1561 PolarHBondContact O-OD1 2.98Å; A1558-N1561 VanDerWaalsContact O-OD1 3.11Å |
| 1559 | Q | 88.5 | Confident | 90.1 | Very high | 139 Ų | 139 | 38.9 Ų | 38.9 | 65% | 0.65 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -28.5 | -174.9 | -63.7 | 178.1 | 9.3 | 0 | 0 | 112.2 | N1556 N1561 E1562 | N1556-Q1559 PolarHBondContact O-N 3.36Å; Q1559-N1561 PolarHBondContact O-N 3.45Å; Q1559-N1561 PolarHBondContact O-OD1 2.98Å; Q1559-E1562 WeakPolarHBondContact O-CB 3.48Å; Q1559-E1562 WeakPolarHBondContact O-CG 3.41Å; Q1559-E1562 PolarHBondContact O-N 3.38Å; Q1559-E1562 VanDerWaalsContact O-N 3.07Å |
| 1560 | V | 91.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -60.8 | -31.5 | -173.8 | 74 | 0 | 0 | 0 | 0 | 111.9 | V1550 N1556 E1562 L1563 L1570 W1596 | V1550-V1560 HydrophobicContact CB-CG2 4.25Å; V1550-V1560 HydrophobicContact CG1-CG2 3.67Å; V1550-V1560 HydrophobicContact CG2-CG2 3.52Å; N1556-V1560 HydrophobicContact CB-CB 4.49Å; N1556-V1560 VanDerWaalsContact O-CB 3.32Å; N1556-V1560 WeakPolarHBondContact O-CB 3.34Å; N1556-V1560 WeakPolarHBondContact O-CG1 3.44Å; N1556-V1560 PolarHBondContact O-N 2.99Å; V1560-E1562 PolarHBondContact O-N 3.46Å; V1560-E1562 VanDerWaalsContact O-N 3.1Å; V1560-L1563 WeakPolarHBondContact O-CB 3.43Å; V1560-L1563 PolarHBondContact O-N 2.88Å; V1560-L1570 HydrophobicContact CG1-CD1 4.19Å; V1560-L1570 HydrophobicContact CG2-CD1 3.89Å; V1560-W1596 HydrophobicContact CB-CZ3 4.28Å; V1560-W1596 HydrophobicContact CG1-CE3 4.04Å; V1560-W1596 HydrophobicContact CG1-CZ3 3.91Å; V1560-W1596 HydrophobicContact CG2-CZ3 3.94Å; V1560-W1596 WeakPolarHBondContact O-CZ3 3.32Å |
| 1561 | N | 86.5 | Confident | 90.1 | Very high | 60 Ų | 60 | 38.9 Ų | 38.9 | 32% | 0.321 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -56.4 | -24.8 | 176.9 | 64.7 | -50.1 | 0 | 0 | 0 | 113.5 | A1558 Q1559 L1563 A1564 W1596 | A1558-N1561 PolarHBondContact O-OD1 2.98Å; A1558-N1561 VanDerWaalsContact O-OD1 3.11Å; Q1559-N1561 PolarHBondContact O-N 3.45Å; Q1559-N1561 PolarHBondContact O-OD1 2.98Å; N1561-L1563 PolarHBondContact O-N 2.81Å; N1561-A1564 WeakPolarHBondContact O-CB 3.36Å; N1561-A1564 PolarHBondContact O-N 3.12Å; N1561-W1596 HydrophobicContact CB-CE3 4.47Å |
| 1562 | E | 87.9 | Confident | 90.2 | Very high | 108 Ų | 108 | 38.9 Ų | 38.9 | 51% | 0.505 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -65.5 | -25 | 173.2 | -61.4 | -173.8 | -177.3 | 0 | 0 | 112.9 | R1528 Q1559 V1560 | R1528-E1562 IonicContact CZ-OE2 3.51Å; R1528-E1562 IonicContact NH2-OE2 2.71Å; R1528-E1562 PolarHBondContact NH2-OE2 3.43Å; Q1559-E1562 WeakPolarHBondContact O-CB 3.48Å; Q1559-E1562 WeakPolarHBondContact O-CG 3.41Å; Q1559-E1562 PolarHBondContact O-N 3.38Å; Q1559-E1562 VanDerWaalsContact O-N 3.07Å; V1560-E1562 PolarHBondContact O-N 3.46Å; V1560-E1562 VanDerWaalsContact O-N 3.1Å |
| 1563 | L | 90.6 | Very high | 90.1 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -87.3 | -6.7 | 177.9 | -61.1 | 172.1 | 0 | 0 | 0 | 112.7 | R1528 F1531 V1550 V1560 N1561 S1565 H1566 A1567 | R1528-L1563 HydrophobicContact CB-CD2 4.14Å; R1528-L1563 HydrophobicContact CG-CD2 4.26Å; F1531-L1563 HydrophobicContact CB-CD1 4.04Å; F1531-L1563 HydrophobicContact CB-CD2 4.39Å; F1531-L1563 HydrophobicContact CD1-CD2 4.12Å; F1531-L1563 HydrophobicContact CG-CD1 4.26Å; F1531-L1563 HydrophobicContact CG-CD2 4.3Å; V1550-L1563 HydrophobicContact CG2-CD1 3.91Å; V1560-L1563 WeakPolarHBondContact O-CB 3.43Å; V1560-L1563 PolarHBondContact O-N 2.88Å; N1561-L1563 PolarHBondContact O-N 2.81Å; L1563-S1565 PolarHBondContact O-N 3.26Å; L1563-S1565 VanDerWaalsContact O-N 3.13Å; L1563-H1566 WeakPolarHBondContact O-CA 3.47Å; L1563-H1566 PolarHBondContact O-N 2.76Å; L1563-A1567 PolarHBondContact O-N 3.29Å |
| 1564 | A | 87.3 | Confident | 90.1 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1561 W1596 P1597 S1600 | N1561-A1564 WeakPolarHBondContact O-CB 3.36Å; N1561-A1564 PolarHBondContact O-N 3.12Å; A1564-W1596 VanDerWaalsContact CA-CH2 3.41Å; A1564-W1596 HydrophobicContact CB-CD2 4.24Å; A1564-W1596 HydrophobicContact CB-CE3 4.23Å; A1564-W1596 HydrophobicContact CB-CH2 3.53Å; A1564-W1596 HydrophobicContact CB-CZ2 3.53Å; A1564-W1596 HydrophobicContact CB-CZ3 3.91Å; A1564-P1597 HydrophobicContact CB-CB 4.49Å; A1564-P1597 VanDerWaalsContact CB-CD 3.49Å; A1564-P1597 HydrophobicContact CB-CG 3.5Å; A1564-P1597 VanDerWaalsContact CB-CG 3.5Å; A1564-S1600 PolarHBondContact O-OG 3.45Å |
| 1565 | S | 84.9 | Confident | 90 | Very high | 82 Ų | 82 | 38 Ų | 38 | 57% | 0.573 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -22 | 173.1 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | L1563 | L1563-S1565 PolarHBondContact O-N 3.26Å; L1563-S1565 VanDerWaalsContact O-N 3.13Å |
| 1566 | H | 88 | Confident | 89.2 | Confident | 80 Ų | 80 | 37.3 Ų | 37.3 | 37% | 0.37 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -26.3 | -177.5 | -59.2 | 87.4 | 0 | 0 | 0 | 112.9 | F1531 L1563 R1825 | F1531-H1566 HydrophobicContact CE1-CB 3.64Å; F1531-H1566 HydrophobicContact CZ-CB 4.01Å; L1563-H1566 WeakPolarHBondContact O-CA 3.47Å; L1563-H1566 PolarHBondContact O-N 2.76Å; H1566-R1825 WeakPolarHBondContact O-CB 3.44Å; H1566-R1825 WeakPolarHBondContact O-CG 3.46Å |
| 1567 | A | 91.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -85.4 | 150.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1531 L1548 V1550 L1563 G1569 R1825 | F1531-A1567 HydrophobicContact CE2-CB 3.96Å; F1531-A1567 HydrophobicContact CZ-CB 4.14Å; L1548-A1567 CarbonylContact O-C 3.28Å; L1548-A1567 WeakPolarHBondContact O-CA 3.31Å; V1550-A1567 HydrophobicContact CB-CB 4.34Å; V1550-A1567 HydrophobicContact CG1-CB 3.95Å; L1563-A1567 PolarHBondContact O-N 3.29Å; A1567-G1569 VanDerWaalsContact C-N 3.34Å; A1567-R1825 PolarHBondContact O-NE 2.87Å |
| 1568 | C | 92.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -72.3 | -30 | 171.3 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | A1547 L1548 Y1549 P1601 R1825 | A1547-C1568 HydrophobicContact CB-CB 3.61Å; L1548-C1568 PolarHBondContact O-N 2.82Å; L1548-C1568 PolarHBondContact O-SG 3.3Å; L1548-C1568 VanDerWaalsContact O-SG 3.4Å; Y1549-C1568 VanDerWaalsContact CD1-SG 3.54Å; Y1549-C1568 VanDerWaalsContact CE1-SG 3.54Å; C1568-P1601 VanDerWaalsContact O-CD 3.31Å; C1568-P1601 WeakPolarHBondContact O-CD 3.26Å; C1568-P1601 WeakPolarHBondContact O-CG 3.43Å; C1568-R1825 PolarHBondContact O-NH2 2.95Å |
| 1569 | G | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -173.5 | 173.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1549 V1550 A1567 P1601 | Y1549-G1569 WeakPolarHBondContact CD1-O 3.48Å; V1550-G1569 PolarHBondContact N-O 3.1Å; A1567-G1569 VanDerWaalsContact C-N 3.34Å; G1569-P1601 VanDerWaalsContact CA-O 3.24Å; G1569-P1601 WeakPolarHBondContact CA-O 3.29Å | ||
| 1570 | L | 95.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.7 | 169.9 | -179.6 | 69.8 | 0 | 0 | 0 | 109 | V1550 A1552 V1560 M1572 H1592 W1596 P1601 V1603 | V1550-L1570 HydrophobicContact CG1-CD1 3.94Å; A1552-L1570 HydrophobicContact CB-CD1 4.01Å; A1552-L1570 HydrophobicContact CB-CD2 4.46Å; A1552-L1570 HydrophobicContact CB-CG 4.21Å; V1560-L1570 HydrophobicContact CG1-CD1 4.19Å; V1560-L1570 HydrophobicContact CG2-CD1 3.89Å; L1570-M1572 HydrophobicContact CD2-CG 4.45Å; L1570-M1572 HydrophobicContact CG-CG 4.42Å; L1570-H1592 HydrophobicContact CD2-CB 3.98Å; L1570-W1596 HydrophobicContact CB-CD2 3.7Å; L1570-W1596 HydrophobicContact CB-CE3 4.06Å; L1570-W1596 HydrophobicContact CB-CG 4.14Å; L1570-W1596 HydrophobicContact CB-CH2 4.17Å; L1570-W1596 HydrophobicContact CB-CZ2 3.81Å; L1570-W1596 HydrophobicContact CB-CZ3 4.25Å; L1570-W1596 HydrophobicContact CD1-CE3 4.27Å; L1570-W1596 HydrophobicContact CD1-CH2 4.49Å; L1570-W1596 HydrophobicContact CD1-CZ3 4.11Å; L1570-W1596 HydrophobicContact CD2-CB 4.19Å; L1570-W1596 HydrophobicContact CD2-CD2 3.99Å; L1570-W1596 HydrophobicContact CD2-CE3 3.97Å; L1570-W1596 HydrophobicContact CD2-CG 4.09Å; L1570-W1596 HydrophobicContact CG-CD2 4.36Å; L1570-W1596 HydrophobicContact CG-CE3 4.34Å; L1570-P1601 PolarHBondContact N-O 2.96Å; L1570-V1603 PolarHBondContact O-N 2.96Å |
| 1571 | K | 95.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.6 | 177.9 | -177.4 | 70.7 | 177.6 | -165.6 | 0 | 110.2 | H1486 M1518 P1519 Y1549 V1550 A1552 Y1573 V1603 C1628 | H1486-K1571 PolarHBondContact CE1-NZ 3.17Å; M1518-K1571 HydrophobicContact CE-CD 4.1Å; M1518-K1571 HydrophobicContact SD-CD 3.79Å; M1518-K1571 HydrophobicContact SD-CG 4.04Å; P1519-K1571 HydrophobicContact CG-CB 3.82Å; P1519-K1571 HydrophobicContact CG-CG 4.18Å; Y1549-K1571 HydrophobicContact CD1-CB 4.25Å; Y1549-K1571 HydrophobicContact CG-CB 4.39Å; V1550-K1571 PolarHBondContact O-N 2.93Å; A1552-K1571 PolarHBondContact N-O 3.06Å; K1571-Y1573 HydrophobicContact CB-CE2 4.42Å; K1571-Y1573 HydrophobicContact CG-CD2 4.2Å; K1571-Y1573 HydrophobicContact CG-CE1 4.39Å; K1571-Y1573 HydrophobicContact CG-CE2 3.49Å; K1571-Y1573 VanDerWaalsContact CG-CE2 3.49Å; K1571-V1603 CarbonylContact C-O 3.34Å; K1571-V1603 WeakPolarHBondContact CA-O 3.43Å; K1571-V1603 HydrophobicContact CD-CB 4.16Å; K1571-V1603 HydrophobicContact CD-CG1 3.79Å; K1571-C1628 PolarHBondContact NZ-SG 2.98Å |
| 1572 | M | 94.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.4 | 177.6 | -62.6 | 173.1 | 68.1 | 0 | 0 | 110.2 | A1552 L1570 L1574 L1583 W1589 H1592 I1602 V1603 C1604 H1605 | A1552-M1572 HydrophobicContact CB-CB 4.44Å; A1552-M1572 HydrophobicContact CB-CG 3.76Å; L1570-M1572 HydrophobicContact CD2-CG 4.45Å; L1570-M1572 HydrophobicContact CG-CG 4.42Å; M1572-L1574 HydrophobicContact CB-CD2 3.96Å; M1572-L1574 HydrophobicContact CE-CD2 4.17Å; M1572-L1583 HydrophobicContact CB-CD1 4.07Å; M1572-L1583 HydrophobicContact CE-CD1 3.59Å; M1572-L1583 HydrophobicContact CG-CD1 4.15Å; M1572-W1589 HydrophobicContact CE-CB 3.85Å; M1572-W1589 HydrophobicContact CE-CG 4.21Å; M1572-H1592 HydrophobicContact CE-CB 3.98Å; M1572-H1592 HydrophobicContact SD-CB 4.12Å; M1572-I1602 HydrophobicContact CG-CG2 4.38Å; M1572-I1602 HydrophobicContact SD-CG2 3.51Å; M1572-I1602 VanDerWaalsContact SD-CG2 3.51Å; M1572-V1603 PolarHBondContact N-O 2.96Å; M1572-C1604 WeakPolarHBondContact O-CA 3.44Å; M1572-H1605 PolarHBondContact O-N 2.98Å |
| 1573 | Y | 91.4 | Very high | 84.4 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 109.6 | 175.4 | -61.3 | -93.2 | 0 | 0 | 0 | 109.9 | K1571 T1577 L1581 K1582 L1583 H1605 | K1571-Y1573 HydrophobicContact CB-CE2 4.42Å; K1571-Y1573 HydrophobicContact CG-CD2 4.2Å; K1571-Y1573 HydrophobicContact CG-CE1 4.39Å; K1571-Y1573 HydrophobicContact CG-CE2 3.49Å; K1571-Y1573 VanDerWaalsContact CG-CE2 3.49Å; Y1573-T1577 HydrophobicContact CD1-CG2 3.78Å; Y1573-T1577 HydrophobicContact CE1-CG2 4.44Å; Y1573-L1581 HydrophobicContact CD2-CB 3.5Å; Y1573-L1581 VanDerWaalsContact CD2-CB 3.5Å; Y1573-L1581 HydrophobicContact CD2-CD1 4.18Å; Y1573-L1581 HydrophobicContact CE2-CB 3.87Å; Y1573-L1581 HydrophobicContact CE2-CD1 3.69Å; Y1573-L1581 HydrophobicContact CE2-CG 4.45Å; Y1573-L1581 HydrophobicContact CG-CB 4.33Å; Y1573-K1582 WeakPolarHBondContact O-CA 3.43Å; Y1573-L1583 PolarHBondContact O-N 3.4Å; Y1573-H1605 HydrophobicContact CD1-CB 3.88Å |
| 1574 | L | 90.6 | Very high | 84.1 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | trans | -99 | -13 | -173.9 | -47 | -170.2 | 0 | 0 | 0 | 113.1 | M1572 L1583 W1589 C1604 H1605 A1606 V1614 | M1572-L1574 HydrophobicContact CB-CD2 3.96Å; M1572-L1574 HydrophobicContact CE-CD2 4.17Å; L1574-L1583 HydrophobicContact CD2-CD1 4.22Å; L1574-W1589 HydrophobicContact CB-CH2 3.91Å; L1574-W1589 HydrophobicContact CB-CZ2 3.68Å; L1574-W1589 HydrophobicContact CD1-CD2 4.3Å; L1574-W1589 HydrophobicContact CD1-CE3 4.07Å; L1574-W1589 HydrophobicContact CD1-CH2 4.12Å; L1574-W1589 HydrophobicContact CD1-CZ2 4.35Å; L1574-W1589 HydrophobicContact CD1-CZ3 3.97Å; L1574-W1589 HydrophobicContact CD2-CD2 3.78Å; L1574-W1589 HydrophobicContact CD2-CE3 4.38Å; L1574-W1589 HydrophobicContact CD2-CG 4.02Å; L1574-W1589 HydrophobicContact CD2-CZ2 4.02Å; L1574-W1589 HydrophobicContact CG-CH2 4.42Å; L1574-W1589 HydrophobicContact CG-CZ2 4.21Å; L1574-C1604 HydrophobicContact CD1-CB 4.32Å; L1574-H1605 WeakPolarHBondContact CB-O 3.48Å; L1574-H1605 WeakPolarHBondContact CG-O 3.41Å; L1574-H1605 PolarHBondContact N-O 2.87Å; L1574-A1606 HydrophobicContact CD1-CB 4.08Å; L1574-V1614 HydrophobicContact CD1-CB 3.55Å; L1574-V1614 HydrophobicContact CD1-CG1 3.98Å; L1574-V1614 HydrophobicContact CD1-CG2 3.71Å | ||
| 1575 | N | 84.1 | Confident | 84 | Confident | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -123.2 | 167 | 177.2 | -63 | 83.3 | 0 | 0 | 0 | 110.5 | T1577 A1606 E1607 S1610 | N1575-T1577 PolarHBondContact O-N 3.16Å; N1575-A1606 WeakPolarHBondContact OD1-CA 3.4Å; N1575-E1607 PolarHBondContact OD1-N 3.32Å; N1575-S1610 PolarHBondContact OD1-OG 2.83Å |
| 1576 | D | 70.3 | Confident | 84 | Confident | 115 Ų | 115 | 43.8 Ų | 43.8 | 62% | 0.615 | 24% | 0.239 | S | C | * | . | trans | -62 | 122.9 | 173.3 | -68.1 | -53.7 | 0 | 0 | 0 | 110.6 | K1582 | D1576-K1582 WeakPolarHBondContact OD1-CD 3.49Å; D1576-K1582 WeakPolarHBondContact OD1-CE 3Å; D1576-K1582 IonicContact OD1-NZ 3.45Å; D1576-K1582 PolarHBondContact OD1-NZ 3.04Å; D1576-K1582 IonicContact OD2-NZ 3.97Å; D1576-K1582 PolarHBondContact OD2-NZ 2.83Å | ||
| 1577 | T | 64.7 | Low | 83.9 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | trans | -123.7 | 179.9 | 172.3 | 63.3 | 0 | 0 | 0 | 0 | 109.2 | Y1573 N1575 G1579 H1605 | Y1573-T1577 HydrophobicContact CD1-CG2 3.78Å; Y1573-T1577 HydrophobicContact CE1-CG2 4.44Å; N1575-T1577 PolarHBondContact O-N 3.16Å; T1577-G1579 PolarHBondContact O-N 3.16Å; T1577-G1579 VanDerWaalsContact O-N 3.12Å; T1577-H1605 VanDerWaalsContact CG2-CE1 3.47Å; T1577-H1605 WeakPolarHBondContact CG2-CE1 3.37Å; T1577-H1605 WeakPolarHBondContact CG2-ND1 3.34Å | ||
| 1578 | F | 63.7 | Low | 83.8 | Confident | 126 Ų | 126 | 43.5 Ų | 43.5 | 55% | 0.553 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -71 | 3.3 | 176.2 | -164.6 | -101.8 | 0 | 0 | 0 | 113.8 | P1716 P1717 | F1578-P1716 HydrophobicContact CD2-CB 4.49Å; F1578-P1716 HydrophobicContact CE2-CB 3.91Å; F1578-P1716 HydrophobicContact CZ-CB 4.02Å; F1578-P1717 HydrophobicContact CB-CG 4.19Å; F1578-P1717 HydrophobicContact CD2-CG 4.12Å; F1578-P1717 HydrophobicContact CG-CG 4.47Å |
| 1579 | G | 64.5 | Low | 83.8 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -118.9 | 171 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1577 | T1577-G1579 PolarHBondContact O-N 3.16Å; T1577-G1579 VanDerWaalsContact O-N 3.12Å |
| 1580 | T | 70.3 | Confident | 83.6 | Confident | 126 Ų | 126 | 49.2 Ų | 49.2 | 77% | 0.773 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -87.7 | 4.9 | -176.9 | 49.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1581 | L | 84.6 | Confident | 83.5 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | trans | -93.6 | 14 | -172.3 | -66.9 | 178.2 | 0 | 0 | 0 | 115 | P1519 N1520 V1526 Y1573 L1583 | P1519-L1581 HydrophobicContact CG-CD1 4.32Å; N1520-L1581 HydrophobicContact CB-CD1 4.14Å; V1526-L1581 HydrophobicContact CG1-CD2 3.32Å; Y1573-L1581 HydrophobicContact CD2-CB 3.5Å; Y1573-L1581 VanDerWaalsContact CD2-CB 3.5Å; Y1573-L1581 HydrophobicContact CD2-CD1 4.18Å; Y1573-L1581 HydrophobicContact CE2-CB 3.87Å; Y1573-L1581 HydrophobicContact CE2-CD1 3.69Å; Y1573-L1581 HydrophobicContact CE2-CG 4.45Å; Y1573-L1581 HydrophobicContact CG-CB 4.33Å; L1581-L1583 PolarHBondContact O-N 2.79Å | ||
| 1582 | K | 87 | Confident | 83.5 | Confident | 85 Ų | 85 | 54.3 Ų | 54.3 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -65.6 | 123.8 | 177.5 | -176.2 | -175.3 | 179.6 | -175.3 | 0 | 109.6 | Y1573 D1576 | Y1573-K1582 WeakPolarHBondContact O-CA 3.43Å; D1576-K1582 WeakPolarHBondContact OD1-CD 3.49Å; D1576-K1582 WeakPolarHBondContact OD1-CE 3Å; D1576-K1582 IonicContact OD1-NZ 3.45Å; D1576-K1582 PolarHBondContact OD1-NZ 3.04Å; D1576-K1582 IonicContact OD2-NZ 3.97Å; D1576-K1582 PolarHBondContact OD2-NZ 2.83Å |
| 1583 | L | 88.4 | Confident | 83.4 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | trans | -72.9 | 127.8 | 173.2 | -64.8 | 177 | 0 | 0 | 0 | 109.6 | A1552 S1553 M1572 Y1573 L1574 L1581 W1589 | A1552-L1583 HydrophobicContact CB-CD1 4.09Å; A1552-L1583 HydrophobicContact CB-CD2 4.13Å; A1552-L1583 HydrophobicContact CB-CG 4.46Å; S1553-L1583 WeakPolarHBondContact O-CD2 3.04Å; M1572-L1583 HydrophobicContact CB-CD1 4.07Å; M1572-L1583 HydrophobicContact CE-CD1 3.59Å; M1572-L1583 HydrophobicContact CG-CD1 4.15Å; Y1573-L1583 PolarHBondContact O-N 3.4Å; L1574-L1583 HydrophobicContact CD2-CD1 4.22Å; L1581-L1583 PolarHBondContact O-N 2.79Å; L1583-W1589 HydrophobicContact CD1-CG 4.48Å | ||
| 1584 | S | 82.7 | Confident | 83.3 | Confident | 88 Ų | 88 | 57 Ų | 57 | 62% | 0.615 | 31% | 0.308 | S | S | * | . | trans | -74.6 | -28.6 | -169.3 | 56 | 0 | 0 | 0 | 0 | 114.3 | D1554 | D1554-S1584 PolarHBondContact OD1-N 3.26Å; D1554-S1584 PolarHBondContact OD1-OG 3.45Å; D1554-S1584 WeakPolarHBondContact OD2-CB 3.49Å; D1554-S1584 PolarHBondContact OD2-N 3.02Å; D1554-S1584 PolarHBondContact OD2-OG 3.15Å | ||
| 1585 | D | 85 | Confident | 83.4 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -147.8 | 167 | -177.8 | 73.8 | 34.7 | 0 | 0 | 0 | 114.6 | T1587 S1588 W1589 | D1585-T1587 PolarHBondContact O-N 2.68Å; D1585-T1587 VanDerWaalsContact OD1-CA 3.26Å; D1585-T1587 WeakPolarHBondContact OD1-CA 3.45Å; D1585-T1587 WeakPolarHBondContact OD1-CB 3.34Å; D1585-T1587 PolarHBondContact OD1-N 2.67Å; D1585-S1588 WeakPolarHBondContact O-CB 3.34Å; D1585-S1588 PolarHBondContact O-N 3.12Å; D1585-S1588 PolarHBondContact OD1-N 2.78Å; D1585-W1589 PolarHBondContact O-N 3.01Å; D1585-W1589 PolarHBondContact O-NE1 2.88Å; D1585-W1589 VanDerWaalsContact O-NE1 3.14Å |
| 1586 | M | 85.1 | Confident | 83.8 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 49% | 0.493 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -21.5 | 177.2 | -79.2 | -172.8 | 66.7 | 0 | 0 | 114 | W1589 Q1590 L1617 | M1586-W1589 HydrophobicContact CG-CD2 4.23Å; M1586-W1589 HydrophobicContact CG-CE3 3.84Å; M1586-W1589 HydrophobicContact CG-CH2 4.44Å; M1586-W1589 HydrophobicContact CG-CZ3 3.96Å; M1586-W1589 WeakPolarHBondContact O-CB 3.47Å; M1586-W1589 PolarHBondContact O-N 2.73Å; M1586-Q1590 PolarHBondContact O-N 2.86Å; M1586-L1617 HydrophobicContact CE-CD2 4.31Å |
| 1587 | T | 87.4 | Confident | 84.7 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 177.6 | -47.5 | 0 | 0 | 0 | 0 | 109.7 | D1585 W1589 Q1590 R1591 | D1585-T1587 PolarHBondContact O-N 2.68Å; D1585-T1587 VanDerWaalsContact OD1-CA 3.26Å; D1585-T1587 WeakPolarHBondContact OD1-CA 3.45Å; D1585-T1587 WeakPolarHBondContact OD1-CB 3.34Å; D1585-T1587 PolarHBondContact OD1-N 2.67Å; T1587-W1589 VanDerWaalsContact C-N 3.26Å; T1587-W1589 PolarHBondContact O-N 2.86Å; T1587-Q1590 PolarHBondContact O-N 3.43Å; T1587-R1591 VanDerWaalsContact O-CG 3.3Å; T1587-R1591 WeakPolarHBondContact O-CG 3.45Å; T1587-R1591 PolarHBondContact O-N 2.77Å |
| 1588 | S | 89 | Confident | 85.6 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 4% | 0.035 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.9 | -42 | 170.5 | -66.1 | 0 | 0 | 0 | 0 | 111 | D1554 D1585 R1591 H1592 | D1554-S1588 VanDerWaalsContact OD1-CB 3.27Å; D1554-S1588 WeakPolarHBondContact OD1-CB 3.22Å; D1554-S1588 PolarHBondContact OD1-OG 2.71Å; D1585-S1588 WeakPolarHBondContact O-CB 3.34Å; D1585-S1588 PolarHBondContact O-N 3.12Å; D1585-S1588 PolarHBondContact OD1-N 2.78Å; S1588-R1591 PolarHBondContact O-N 2.86Å; S1588-H1592 PolarHBondContact O-CD2 2.95Å; S1588-H1592 VanDerWaalsContact O-CD2 3.22Å; S1588-H1592 PolarHBondContact O-N 2.64Å |
| 1589 | W | 92.4 | Very high | 86.5 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 179.7 | -53.3 | 1.1 | 0 | 0 | 0 | 111.4 | M1572 L1574 L1583 D1585 M1586 T1587 R1591 H1592 L1593 A1613 L1617 | M1572-W1589 HydrophobicContact CE-CB 3.85Å; M1572-W1589 HydrophobicContact CE-CG 4.21Å; L1574-W1589 HydrophobicContact CB-CH2 3.91Å; L1574-W1589 HydrophobicContact CB-CZ2 3.68Å; L1574-W1589 HydrophobicContact CD1-CD2 4.3Å; L1574-W1589 HydrophobicContact CD1-CE3 4.07Å; L1574-W1589 HydrophobicContact CD1-CH2 4.12Å; L1574-W1589 HydrophobicContact CD1-CZ2 4.35Å; L1574-W1589 HydrophobicContact CD1-CZ3 3.97Å; L1574-W1589 HydrophobicContact CD2-CD2 3.78Å; L1574-W1589 HydrophobicContact CD2-CE3 4.38Å; L1574-W1589 HydrophobicContact CD2-CG 4.02Å; L1574-W1589 HydrophobicContact CD2-CZ2 4.02Å; L1574-W1589 HydrophobicContact CG-CH2 4.42Å; L1574-W1589 HydrophobicContact CG-CZ2 4.21Å; L1583-W1589 HydrophobicContact CD1-CG 4.48Å; D1585-W1589 PolarHBondContact O-N 3.01Å; D1585-W1589 PolarHBondContact O-NE1 2.88Å; D1585-W1589 VanDerWaalsContact O-NE1 3.14Å; M1586-W1589 HydrophobicContact CG-CD2 4.23Å; M1586-W1589 HydrophobicContact CG-CE3 3.84Å; M1586-W1589 HydrophobicContact CG-CH2 4.44Å; M1586-W1589 HydrophobicContact CG-CZ3 3.96Å; M1586-W1589 WeakPolarHBondContact O-CB 3.47Å; M1586-W1589 PolarHBondContact O-N 2.73Å; T1587-W1589 VanDerWaalsContact C-N 3.26Å; T1587-W1589 PolarHBondContact O-N 2.86Å; W1589-R1591 VanDerWaalsContact C-N 3.32Å; W1589-R1591 PolarHBondContact O-N 3.02Å; W1589-H1592 PolarHBondContact O-N 2.94Å; W1589-L1593 WeakPolarHBondContact O-CB 3.41Å; W1589-L1593 VanDerWaalsContact O-CG 3.28Å; W1589-L1593 WeakPolarHBondContact O-CG 3.29Å; W1589-L1593 PolarHBondContact O-N 2.77Å; W1589-A1613 HydrophobicContact CZ3-CB 4.17Å; W1589-L1617 HydrophobicContact CB-CD2 3.97Å |
| 1590 | Q | 90.8 | Very high | 87.6 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 45% | 0.453 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 177.6 | 179.2 | 176.3 | -8.3 | 0 | 0 | 111.7 | M1586 T1587 S1594 L1617 L1621 | M1586-Q1590 PolarHBondContact O-N 2.86Å; T1587-Q1590 PolarHBondContact O-N 3.43Å; Q1590-S1594 VanDerWaalsContact O-CB 3.26Å; Q1590-S1594 WeakPolarHBondContact O-CB 3.31Å; Q1590-S1594 PolarHBondContact O-N 2.88Å; Q1590-S1594 PolarHBondContact O-OG 3.32Å; Q1590-L1617 HydrophobicContact CB-CD2 4.31Å; Q1590-L1621 HydrophobicContact CG-CD1 4.08Å; Q1590-L1621 HydrophobicContact CG-CD2 4.46Å |
| 1591 | R | 92.7 | Very high | 88.6 | Confident | 106 Ų | 106 | 59.8 Ų | 59.8 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 177.1 | -75.8 | 172.1 | 178.1 | 174.5 | 2.2 | 111.2 | W1557 T1587 S1588 W1589 S1594 H1595 | W1557-R1591 HydrophobicContact CB-CB 4.11Å; W1557-R1591 HydrophobicContact CD2-CB 3.99Å; W1557-R1591 HydrophobicContact CD2-CG 4.32Å; W1557-R1591 HydrophobicContact CE3-CB 4.39Å; W1557-R1591 HydrophobicContact CG-CB 3.83Å; T1587-R1591 VanDerWaalsContact O-CG 3.3Å; T1587-R1591 WeakPolarHBondContact O-CG 3.45Å; T1587-R1591 PolarHBondContact O-N 2.77Å; S1588-R1591 PolarHBondContact O-N 2.86Å; W1589-R1591 VanDerWaalsContact C-N 3.32Å; W1589-R1591 PolarHBondContact O-N 3.02Å; R1591-S1594 PolarHBondContact O-N 2.73Å; R1591-H1595 WeakPolarHBondContact O-CB 3.48Å; R1591-H1595 PolarHBondContact O-N 3.42Å; R1591-H1595 PolarHBondContact O-ND1 2.88Å |
| 1592 | H | 94.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 177 | -81.9 | -62.3 | 0 | 0 | 0 | 112.8 | S1553 N1556 W1557 L1570 M1572 S1588 W1589 S1594 H1595 W1596 | S1553-H1592 PolarHBondContact O-NE2 2.8Å; N1556-H1592 PolarHBondContact OD1-CE1 2.65Å; N1556-H1592 PolarHBondContact OD1-NE2 2.89Å; W1557-H1592 WeakPolarHBondContact CA-CE1 3.48Å; W1557-H1592 VanDerWaalsContact CB-CE1 3.41Å; W1557-H1592 WeakPolarHBondContact CB-CE1 3.44Å; W1557-H1592 PolarHBondContact N-CE1 3.27Å; L1570-H1592 HydrophobicContact CD2-CB 3.98Å; M1572-H1592 HydrophobicContact CE-CB 3.98Å; M1572-H1592 HydrophobicContact SD-CB 4.12Å; S1588-H1592 PolarHBondContact O-CD2 2.95Å; S1588-H1592 VanDerWaalsContact O-CD2 3.22Å; S1588-H1592 PolarHBondContact O-N 2.64Å; W1589-H1592 PolarHBondContact O-N 2.94Å; H1592-S1594 PolarHBondContact O-N 2.94Å; H1592-H1595 PolarHBondContact O-N 3.49Å; H1592-W1596 WeakPolarHBondContact O-CB 3.24Å; H1592-W1596 PolarHBondContact O-N 3.48Å |
| 1593 | L | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -35.5 | 177.2 | -74 | 166.1 | 0 | 0 | 0 | 112.3 | W1589 I1602 L1617 A1618 L1621 R1623 V1625 | W1589-L1593 WeakPolarHBondContact O-CB 3.41Å; W1589-L1593 VanDerWaalsContact O-CG 3.28Å; W1589-L1593 WeakPolarHBondContact O-CG 3.29Å; W1589-L1593 PolarHBondContact O-N 2.77Å; L1593-I1602 HydrophobicContact CD2-CD1 3.72Å; L1593-I1602 HydrophobicContact CD2-CG2 4.1Å; L1593-L1617 HydrophobicContact CD1-CB 4.27Å; L1593-L1617 HydrophobicContact CD1-CD2 3.59Å; L1593-L1617 HydrophobicContact CD1-CG 3.69Å; L1593-A1618 HydrophobicContact CD2-CB 4.48Å; L1593-L1621 HydrophobicContact CB-CD1 3.57Å; L1593-L1621 HydrophobicContact CD1-CD1 3.99Å; L1593-L1621 HydrophobicContact CG-CD1 4.42Å; L1593-R1623 HydrophobicContact CB-CG 4.32Å; L1593-R1623 HydrophobicContact CD2-CB 4.22Å; L1593-R1623 HydrophobicContact CD2-CG 4.41Å; L1593-R1623 WeakPolarHBondContact O-CD 3.47Å; L1593-R1623 WeakPolarHBondContact O-CG 3.33Å; L1593-R1623 PolarHBondContact O-NE 2.94Å; L1593-V1625 HydrophobicContact CD2-CG1 3.79Å |
| 1594 | S | 90.3 | Very high | 89.8 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -79.8 | -37.7 | -179.1 | -55.9 | 0 | 0 | 0 | 0 | 113.4 | Q1590 R1591 H1592 | Q1590-S1594 VanDerWaalsContact O-CB 3.26Å; Q1590-S1594 WeakPolarHBondContact O-CB 3.31Å; Q1590-S1594 PolarHBondContact O-N 2.88Å; Q1590-S1594 PolarHBondContact O-OG 3.32Å; R1591-S1594 PolarHBondContact O-N 2.73Å; H1592-S1594 PolarHBondContact O-N 2.94Å |
| 1595 | H | 91.6 | Very high | 90.2 | Very high | 89 Ų | 89 | 51.6 Ų | 51.6 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -93 | -25.2 | -171.9 | -68.2 | 81.6 | 0 | 0 | 0 | 114 | W1557 R1591 H1592 | W1557-H1595 HydrophobicContact CE3-CB 4.49Å; W1557-H1595 AromaticContact CE3-CD2 3.83Å; W1557-H1595 AromaticContact CE3-CE1 3.62Å; W1557-H1595 AromaticContact CE3-CG 3.73Å; W1557-H1595 AromaticContact CE3-ND1 3.59Å; W1557-H1595 AromaticContact CE3-NE2 3.79Å; W1557-H1595 AromaticContact CZ3-CD2 3.71Å; W1557-H1595 AromaticContact CZ3-CE1 3.46Å; W1557-H1595 VanDerWaalsContact CZ3-CE1 3.46Å; W1557-H1595 WeakPolarHBondContact CZ3-CE1 3.19Å; W1557-H1595 AromaticContact CZ3-ND1 3.92Å; W1557-H1595 AromaticContact CZ3-NE2 3.33Å; W1557-H1595 VanDerWaalsContact CZ3-NE2 3.33Å; W1557-H1595 WeakPolarHBondContact CZ3-NE2 3.29Å; R1591-H1595 WeakPolarHBondContact O-CB 3.48Å; R1591-H1595 PolarHBondContact O-N 3.42Å; R1591-H1595 PolarHBondContact O-ND1 2.88Å; H1592-H1595 PolarHBondContact O-N 3.49Å |
| 1596 | W | 93.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -65.2 | 142 | 176.2 | -164.6 | -115.8 | 0 | 0 | 0 | 110.9 | V1550 V1560 N1561 A1564 L1570 H1592 K1598 S1600 P1601 I1602 R1623 | V1550-W1596 HydrophobicContact CG1-CH2 3.54Å; V1550-W1596 HydrophobicContact CG1-CZ2 4.34Å; V1550-W1596 HydrophobicContact CG1-CZ3 4.1Å; V1560-W1596 HydrophobicContact CB-CZ3 4.28Å; V1560-W1596 HydrophobicContact CG1-CE3 4.04Å; V1560-W1596 HydrophobicContact CG1-CZ3 3.91Å; V1560-W1596 HydrophobicContact CG2-CZ3 3.94Å; V1560-W1596 WeakPolarHBondContact O-CZ3 3.32Å; N1561-W1596 HydrophobicContact CB-CE3 4.47Å; A1564-W1596 VanDerWaalsContact CA-CH2 3.41Å; A1564-W1596 HydrophobicContact CB-CD2 4.24Å; A1564-W1596 HydrophobicContact CB-CE3 4.23Å; A1564-W1596 HydrophobicContact CB-CH2 3.53Å; A1564-W1596 HydrophobicContact CB-CZ2 3.53Å; A1564-W1596 HydrophobicContact CB-CZ3 3.91Å; L1570-W1596 HydrophobicContact CB-CD2 3.7Å; L1570-W1596 HydrophobicContact CB-CE3 4.06Å; L1570-W1596 HydrophobicContact CB-CG 4.14Å; L1570-W1596 HydrophobicContact CB-CH2 4.17Å; L1570-W1596 HydrophobicContact CB-CZ2 3.81Å; L1570-W1596 HydrophobicContact CB-CZ3 4.25Å; L1570-W1596 HydrophobicContact CD1-CE3 4.27Å; L1570-W1596 HydrophobicContact CD1-CH2 4.49Å; L1570-W1596 HydrophobicContact CD1-CZ3 4.11Å; L1570-W1596 HydrophobicContact CD2-CB 4.19Å; L1570-W1596 HydrophobicContact CD2-CD2 3.99Å; L1570-W1596 HydrophobicContact CD2-CE3 3.97Å; L1570-W1596 HydrophobicContact CD2-CG 4.09Å; L1570-W1596 HydrophobicContact CG-CD2 4.36Å; L1570-W1596 HydrophobicContact CG-CE3 4.34Å; H1592-W1596 WeakPolarHBondContact O-CB 3.24Å; H1592-W1596 PolarHBondContact O-N 3.48Å; W1596-K1598 PolarHBondContact O-N 3.47Å; W1596-S1600 PolarHBondContact NE1-O 3.02Å; W1596-P1601 PolarHBondContact NE1-O 2.91Å; W1596-P1601 VanDerWaalsContact NE1-O 3.1Å; W1596-I1602 HydrophobicContact CB-CD1 4.05Å; W1596-I1602 HydrophobicContact CB-CG1 4.37Å; W1596-I1602 HydrophobicContact CG-CD1 4.38Å; W1596-I1602 HydrophobicContact CG-CG1 4.17Å; W1596-R1623 VanDerWaalsContact O-CZ 3.27Å; W1596-R1623 PolarHBondContact O-NH1 2.9Å; W1596-R1623 PolarHBondContact O-NH2 3.26Å |
| 1597 | P | 88.8 | Confident | 90.5 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | trans | -60.3 | 138.2 | -179.3 | -28.4 | 38.7 | 0 | 0 | 0 | 113.3 | A1564 R1599 S1600 R1623 | A1564-P1597 HydrophobicContact CB-CB 4.49Å; A1564-P1597 VanDerWaalsContact CB-CD 3.49Å; A1564-P1597 HydrophobicContact CB-CG 3.5Å; A1564-P1597 VanDerWaalsContact CB-CG 3.5Å; P1597-R1599 PolarHBondContact O-N 3.11Å; P1597-S1600 PolarHBondContact O-N 3.37Å; P1597-R1623 PolarHBondContact O-NH2 3.3Å | ||
| 1598 | K | 84.5 | Confident | 90.5 | Very high | 129 Ų | 129 | 48 Ų | 48 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.1 | -176.9 | -82.2 | -165.7 | 174.3 | -162.6 | 0 | 114.4 | W1596 S1600 D1622 R1623 | W1596-K1598 PolarHBondContact O-N 3.47Å; K1598-S1600 VanDerWaalsContact C-N 3.35Å; K1598-D1622 IonicContact NZ-OD2 3.13Å; K1598-D1622 PolarHBondContact NZ-OD2 3.24Å; K1598-R1623 VanDerWaalsContact CA-NH1 3.29Å; K1598-R1623 VanDerWaalsContact CG-NH1 3.27Å |
| 1599 | R | 81.6 | Confident | 90.5 | Very high | 234 Ų | 234 | 55.9 Ų | 55.9 | 88% | 0.883 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -10.7 | 179.2 | -66.9 | -174.7 | 177.3 | -178.2 | -1.2 | 113.5 | P1597 | P1597-R1599 PolarHBondContact O-N 3.11Š|
| 1600 | S | 87.9 | Confident | 90.4 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -98.6 | 131.9 | -177.8 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | A1564 W1596 P1597 K1598 | A1564-S1600 PolarHBondContact O-OG 3.45Å; W1596-S1600 PolarHBondContact NE1-O 3.02Å; P1597-S1600 PolarHBondContact O-N 3.37Å; K1598-S1600 VanDerWaalsContact C-N 3.35Å |
| 1601 | P | 92.7 | Very high | 90.5 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 7% | 0.065 | 23% | 0.23 | C | C | . | . | trans | -58.6 | 144.2 | -178.7 | -24.3 | 32.2 | 0 | 0 | 0 | 113.3 | C1568 G1569 L1570 W1596 I1754 F1755 | C1568-P1601 VanDerWaalsContact O-CD 3.31Å; C1568-P1601 WeakPolarHBondContact O-CD 3.26Å; C1568-P1601 WeakPolarHBondContact O-CG 3.43Å; G1569-P1601 VanDerWaalsContact CA-O 3.24Å; G1569-P1601 WeakPolarHBondContact CA-O 3.29Å; L1570-P1601 PolarHBondContact N-O 2.96Å; W1596-P1601 PolarHBondContact NE1-O 2.91Å; W1596-P1601 VanDerWaalsContact NE1-O 3.1Å; P1601-I1754 WeakPolarHBondContact CG-O 3.34Å; P1601-F1755 HydrophobicContact CB-CD1 4.24Å; P1601-F1755 HydrophobicContact CG-CD1 4.26Å | ||
| 1602 | I | 94.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.3 | 168 | -61.6 | 179.7 | 0 | 0 | 0 | 107.2 | M1572 L1593 W1596 V1625 H1626 | M1572-I1602 HydrophobicContact CG-CG2 4.38Å; M1572-I1602 HydrophobicContact SD-CG2 3.51Å; M1572-I1602 VanDerWaalsContact SD-CG2 3.51Å; L1593-I1602 HydrophobicContact CD2-CD1 3.72Å; L1593-I1602 HydrophobicContact CD2-CG2 4.1Å; W1596-I1602 HydrophobicContact CB-CD1 4.05Å; W1596-I1602 HydrophobicContact CB-CG1 4.37Å; W1596-I1602 HydrophobicContact CG-CD1 4.38Å; W1596-I1602 HydrophobicContact CG-CG1 4.17Å; I1602-V1625 HydrophobicContact CB-CG1 4.37Å; I1602-V1625 HydrophobicContact CG2-CG1 4.21Å; I1602-V1625 WeakPolarHBondContact O-CA 3.27Å; I1602-H1626 PolarHBondContact O-N 2.82Å |
| 1603 | V | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.5 | -171.9 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | Y1549 L1570 K1571 M1572 H1626 C1628 F1755 | Y1549-V1603 HydrophobicContact CE1-CB 4.19Å; Y1549-V1603 HydrophobicContact CE1-CG2 3.62Å; L1570-V1603 PolarHBondContact O-N 2.96Å; K1571-V1603 CarbonylContact C-O 3.34Å; K1571-V1603 WeakPolarHBondContact CA-O 3.43Å; K1571-V1603 HydrophobicContact CD-CB 4.16Å; K1571-V1603 HydrophobicContact CD-CG1 3.79Å; M1572-V1603 PolarHBondContact N-O 2.96Å; V1603-H1626 WeakPolarHBondContact CA-O 3.17Å; V1603-H1626 HydrophobicContact CG2-CB 4.35Å; V1603-C1628 WeakPolarHBondContact CG1-SG 3.39Å; V1603-F1755 HydrophobicContact CG2-CE1 3.6Å; V1603-F1755 HydrophobicContact CG2-CZ 4.18Å |
| 1604 | C | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120 | -171.2 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | M1572 L1574 A1606 V1614 H1626 I1627 C1628 | M1572-C1604 WeakPolarHBondContact O-CA 3.44Å; L1574-C1604 HydrophobicContact CD1-CB 4.32Å; C1604-A1606 PolarHBondContact O-N 3.44Å; C1604-V1614 HydrophobicContact CB-CG1 4.45Å; C1604-V1614 HydrophobicContact CB-CG2 4.4Å; C1604-H1626 PolarHBondContact N-O 3.09Å; C1604-I1627 HydrophobicContact CB-CD1 4.33Å; C1604-C1628 PolarHBondContact O-N 2.84Å |
| 1605 | H | 91.4 | Very high | 90.5 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 105.1 | 156.8 | -175.7 | 120.4 | 0 | 0 | 0 | 107 | M1572 Y1573 L1574 T1577 E1607 H1629 | M1572-H1605 PolarHBondContact O-N 2.98Å; Y1573-H1605 HydrophobicContact CD1-CB 3.88Å; L1574-H1605 WeakPolarHBondContact CB-O 3.48Å; L1574-H1605 WeakPolarHBondContact CG-O 3.41Å; L1574-H1605 PolarHBondContact N-O 2.87Å; T1577-H1605 VanDerWaalsContact CG2-CE1 3.47Å; T1577-H1605 WeakPolarHBondContact CG2-CE1 3.37Å; T1577-H1605 WeakPolarHBondContact CG2-ND1 3.34Å; H1605-E1607 IonicContact CE1-OE1 3.78Å; H1605-E1607 IonicContact NE2-OE1 2.81Å; H1605-E1607 PolarHBondContact NE2-OE1 2.87Å; H1605-E1607 VanDerWaalsContact NE2-OE1 3.08Å; H1605-H1629 AromaticContact CD2-CE1 3.79Å; H1605-H1629 AromaticContact CE1-CE1 3.17Å; H1605-H1629 PolarHBondContact CE1-CE1 2.73Å; H1605-H1629 AromaticContact CE1-NE2 3.19Å; H1605-H1629 PolarHBondContact CE1-NE2 3.09Å; H1605-H1629 AromaticContact CG-CE1 3.53Å; H1605-H1629 AromaticContact CG-NE2 3.57Å; H1605-H1629 AromaticContact ND1-CE1 3.21Å; H1605-H1629 PolarHBondContact ND1-CE1 3.48Å; H1605-H1629 AromaticContact ND1-NE2 2.89Å; H1605-H1629 PolarHBondContact ND1-NE2 2.8Å; H1605-H1629 AromaticContact NE2-CE1 3.57Å |
| 1606 | A | 88.8 | Confident | 90.5 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | trans | -135.8 | 132.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1574 N1575 C1604 S1610 T1611 V1614 | L1574-A1606 HydrophobicContact CD1-CB 4.08Å; N1575-A1606 WeakPolarHBondContact OD1-CA 3.4Å; C1604-A1606 PolarHBondContact O-N 3.44Å; A1606-S1610 WeakPolarHBondContact CA-OG 3.46Å; A1606-T1611 PolarHBondContact O-OG1 3.14Å; A1606-T1611 VanDerWaalsContact O-OG1 3.05Å; A1606-V1614 HydrophobicContact CB-CG1 4.01Å | ||
| 1607 | E | 87.3 | Confident | 90.5 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | trans | -123.7 | 143.3 | 176.6 | -66.3 | -174 | -135 | 0 | 0 | 111.5 | N1575 H1605 Q1609 S1610 T1611 R1632 P1677 | N1575-E1607 PolarHBondContact OD1-N 3.32Å; H1605-E1607 IonicContact CE1-OE1 3.78Å; H1605-E1607 IonicContact NE2-OE1 2.81Å; H1605-E1607 PolarHBondContact NE2-OE1 2.87Å; H1605-E1607 VanDerWaalsContact NE2-OE1 3.08Å; E1607-Q1609 PolarHBondContact O-N 3.09Å; E1607-S1610 PolarHBondContact N-OG 3.06Å; E1607-S1610 PolarHBondContact O-N 2.79Å; E1607-S1610 VanDerWaalsContact O-N 3.1Å; E1607-S1610 PolarHBondContact O-OG 2.71Å; E1607-T1611 PolarHBondContact N-OG1 2.75Å; E1607-R1632 IonicContact OE2-CZ 3.87Å; E1607-R1632 IonicContact OE2-NH1 2.76Å; E1607-R1632 PolarHBondContact OE2-NH1 2.93Å; E1607-R1632 IonicContact OE2-NH2 3.33Å; E1607-R1632 PolarHBondContact OE2-NH2 3.05Å; E1607-P1677 HydrophobicContact CG-CG 4.25Å | ||
| 1608 | R | 87.8 | Confident | 90.6 | Very high | 144 Ų | 144 | 45.6 Ų | 45.6 | 54% | 0.543 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | -118.3 | 175.1 | -50 | -168.8 | 170.2 | 163.7 | -4.5 | 113.1 | S1610 T1611 E1634 E1635 | R1608-S1610 VanDerWaalsContact C-N 3.25Å; R1608-S1610 PolarHBondContact O-N 3.1Å; R1608-T1611 WeakPolarHBondContact O-CB 3.5Å; R1608-T1611 PolarHBondContact O-N 3.45Å; R1608-T1611 VanDerWaalsContact O-N 3.15Å; R1608-E1634 VanDerWaalsContact CG-OE1 3.32Å; R1608-E1634 WeakPolarHBondContact CG-OE1 3.44Å; R1608-E1634 IonicContact NE-OE1 3.63Å; R1608-E1635 PolarHBondContact N-OE1 2.82Å |
| 1609 | Q | 89.2 | Confident | 91 | Very high | 170 Ų | 170 | 44.4 Ų | 44.4 | 79% | 0.794 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -61.8 | -31.4 | -176.8 | -63.9 | 148.4 | -5.3 | 0 | 0 | 112.7 | E1607 T1611 A1612 A1613 | E1607-Q1609 PolarHBondContact O-N 3.09Å; Q1609-T1611 VanDerWaalsContact C-N 3.33Å; Q1609-A1612 PolarHBondContact O-N 2.85Å; Q1609-A1613 WeakPolarHBondContact O-CB 3.07Å; Q1609-A1613 PolarHBondContact O-N 3.1Å |
| 1610 | S | 89.9 | Confident | 91.5 | Very high | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.7 | -30 | 178.9 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | N1575 A1606 E1607 R1608 A1613 V1614 | N1575-S1610 PolarHBondContact OD1-OG 2.83Å; A1606-S1610 WeakPolarHBondContact CA-OG 3.46Å; E1607-S1610 PolarHBondContact N-OG 3.06Å; E1607-S1610 PolarHBondContact O-N 2.79Å; E1607-S1610 VanDerWaalsContact O-N 3.1Å; E1607-S1610 PolarHBondContact O-OG 2.71Å; R1608-S1610 VanDerWaalsContact C-N 3.25Å; R1608-S1610 PolarHBondContact O-N 3.1Å; S1610-A1613 PolarHBondContact O-N 3.22Å; S1610-V1614 WeakPolarHBondContact O-CG1 3.4Å; S1610-V1614 PolarHBondContact O-N 2.71Å |
| 1611 | T | 92.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 173.7 | -51.3 | 0 | 0 | 0 | 0 | 110.2 | A1606 E1607 R1608 Q1609 I1615 I1627 L1638 | A1606-T1611 PolarHBondContact O-OG1 3.14Å; A1606-T1611 VanDerWaalsContact O-OG1 3.05Å; E1607-T1611 PolarHBondContact N-OG1 2.75Å; R1608-T1611 WeakPolarHBondContact O-CB 3.5Å; R1608-T1611 PolarHBondContact O-N 3.45Å; R1608-T1611 VanDerWaalsContact O-N 3.15Å; Q1609-T1611 VanDerWaalsContact C-N 3.33Å; T1611-I1615 HydrophobicContact CG2-CD1 3.9Å; T1611-I1615 WeakPolarHBondContact O-CB 3.4Å; T1611-I1615 WeakPolarHBondContact O-CD1 2.95Å; T1611-I1615 WeakPolarHBondContact O-CG1 3.24Å; T1611-I1615 PolarHBondContact O-N 3.31Å; T1611-I1615 VanDerWaalsContact O-N 3.11Å; T1611-I1627 HydrophobicContact CG2-CD1 4.49Å; T1611-I1627 HydrophobicContact CG2-CG1 4.36Å; T1611-I1627 HydrophobicContact CG2-CG2 3.93Å; T1611-L1638 HydrophobicContact CG2-CD2 4Å |
| 1612 | A | 90.7 | Very high | 91.5 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1609 M1616 L1638 | Q1609-A1612 PolarHBondContact O-N 2.85Å; A1612-M1616 VanDerWaalsContact O-CB 3.32Å; A1612-M1616 WeakPolarHBondContact O-CB 3.5Å; A1612-M1616 PolarHBondContact O-N 2.92Å; A1612-L1638 HydrophobicContact CB-CD1 3.92Å; A1612-L1638 HydrophobicContact CB-CD2 3.96Å |
| 1613 | A | 91.8 | Very high | 91.4 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 26% | 0.256 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63 | -45.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1589 Q1609 S1610 M1616 L1617 | W1589-A1613 HydrophobicContact CZ3-CB 4.17Å; Q1609-A1613 WeakPolarHBondContact O-CB 3.07Å; Q1609-A1613 PolarHBondContact O-N 3.1Å; S1610-A1613 PolarHBondContact O-N 3.22Å; A1613-M1616 PolarHBondContact O-N 2.79Å; A1613-L1617 VanDerWaalsContact O-CB 3.3Å; A1613-L1617 WeakPolarHBondContact O-CB 3.45Å; A1613-L1617 PolarHBondContact O-N 2.82Å |
| 1614 | V | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.8 | -37.9 | -178.7 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | L1574 C1604 A1606 S1610 M1616 L1617 A1618 I1627 | L1574-V1614 HydrophobicContact CD1-CB 3.55Å; L1574-V1614 HydrophobicContact CD1-CG1 3.98Å; L1574-V1614 HydrophobicContact CD1-CG2 3.71Å; C1604-V1614 HydrophobicContact CB-CG1 4.45Å; C1604-V1614 HydrophobicContact CB-CG2 4.4Å; A1606-V1614 HydrophobicContact CB-CG1 4.01Å; S1610-V1614 WeakPolarHBondContact O-CG1 3.4Å; S1610-V1614 PolarHBondContact O-N 2.71Å; V1614-M1616 VanDerWaalsContact C-N 3.32Å; V1614-M1616 PolarHBondContact O-N 3.42Å; V1614-L1617 PolarHBondContact O-N 2.84Å; V1614-A1618 WeakPolarHBondContact O-CB 3.18Å; V1614-A1618 PolarHBondContact O-N 2.85Å; V1614-I1627 HydrophobicContact CG1-CD1 3.7Å |
| 1615 | I | 93.4 | Very high | 91.3 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.3 | -70.3 | 171.5 | 0 | 0 | 0 | 110 | T1611 H1619 I1627 L1638 I1639 A1642 V1647 V1649 | T1611-I1615 HydrophobicContact CG2-CD1 3.9Å; T1611-I1615 WeakPolarHBondContact O-CB 3.4Å; T1611-I1615 WeakPolarHBondContact O-CD1 2.95Å; T1611-I1615 WeakPolarHBondContact O-CG1 3.24Å; T1611-I1615 PolarHBondContact O-N 3.31Å; T1611-I1615 VanDerWaalsContact O-N 3.11Å; I1615-H1619 WeakPolarHBondContact O-CB 3.37Å; I1615-H1619 PolarHBondContact O-N 3.19Å; I1615-I1627 HydrophobicContact CD1-CD1 4.42Å; I1615-I1627 HydrophobicContact CD1-CG1 4.19Å; I1615-I1627 HydrophobicContact CG1-CD1 4.06Å; I1615-I1627 HydrophobicContact CG1-CG1 4.28Å; I1615-L1638 HydrophobicContact CD1-CD2 3.75Å; I1615-I1639 HydrophobicContact CD1-CG1 4Å; I1615-A1642 HydrophobicContact CG2-CB 4Å; I1615-V1647 HydrophobicContact CG2-CG1 3.94Å; I1615-V1649 HydrophobicContact CD1-CG2 3.89Å; I1615-V1649 HydrophobicContact CG1-CB 4.49Å; I1615-V1649 HydrophobicContact CG1-CG2 3.92Å |
| 1616 | M | 92.1 | Very high | 91.5 | Very high | 106 Ų | 106 | 46.6 Ų | 46.6 | 52% | 0.522 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -47 | 176.4 | -175.8 | 61.9 | 179.6 | 0 | 0 | 111.6 | A1612 A1613 V1614 A1618 H1619 L1620 | A1612-M1616 VanDerWaalsContact O-CB 3.32Å; A1612-M1616 WeakPolarHBondContact O-CB 3.5Å; A1612-M1616 PolarHBondContact O-N 2.92Å; A1613-M1616 PolarHBondContact O-N 2.79Å; V1614-M1616 VanDerWaalsContact C-N 3.32Å; V1614-M1616 PolarHBondContact O-N 3.42Å; M1616-A1618 PolarHBondContact O-N 3.46Å; M1616-H1619 PolarHBondContact O-N 3.24Å; M1616-L1620 HydrophobicContact CE-CD1 4.18Å; M1616-L1620 HydrophobicContact CE-CD2 4.15Å; M1616-L1620 HydrophobicContact CE-CG 4.17Å; M1616-L1620 HydrophobicContact CG-CD1 4.31Å; M1616-L1620 WeakPolarHBondContact O-CG 3.45Å; M1616-L1620 PolarHBondContact O-N 3.44Å |
| 1617 | L | 92.5 | Very high | 91.9 | Very high | 17 Ų | 17 | 46.5 Ų | 46.5 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 179.2 | -173.3 | 62.2 | 0 | 0 | 0 | 111.8 | M1586 W1589 Q1590 L1593 A1613 V1614 H1619 L1620 L1621 | M1586-L1617 HydrophobicContact CE-CD2 4.31Å; W1589-L1617 HydrophobicContact CB-CD2 3.97Å; Q1590-L1617 HydrophobicContact CB-CD2 4.31Å; L1593-L1617 HydrophobicContact CD1-CB 4.27Å; L1593-L1617 HydrophobicContact CD1-CD2 3.59Å; L1593-L1617 HydrophobicContact CD1-CG 3.69Å; A1613-L1617 VanDerWaalsContact O-CB 3.3Å; A1613-L1617 WeakPolarHBondContact O-CB 3.45Å; A1613-L1617 PolarHBondContact O-N 2.82Å; V1614-L1617 PolarHBondContact O-N 2.84Å; L1617-H1619 VanDerWaalsContact C-N 3.35Å; L1617-L1620 PolarHBondContact O-N 2.92Å; L1617-L1621 HydrophobicContact CD1-CD1 4.06Å; L1617-L1621 HydrophobicContact CD1-CG 4.45Å; L1617-L1621 HydrophobicContact CG-CD1 3.97Å; L1617-L1621 WeakPolarHBondContact O-CB 3.43Å; L1617-L1621 VanDerWaalsContact O-CG 3.28Å; L1617-L1621 WeakPolarHBondContact O-CG 3.42Å; L1617-L1621 PolarHBondContact O-N 2.88Å |
| 1618 | A | 91.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1593 V1614 M1616 L1621 D1622 R1623 V1625 | L1593-A1618 HydrophobicContact CD2-CB 4.48Å; V1614-A1618 WeakPolarHBondContact O-CB 3.18Å; V1614-A1618 PolarHBondContact O-N 2.85Å; M1616-A1618 PolarHBondContact O-N 3.46Å; A1618-L1621 CarbonylContact O-C 3.36Å; A1618-L1621 PolarHBondContact O-N 2.91Å; A1618-D1622 PolarHBondContact O-N 3.36Å; A1618-R1623 HydrophobicContact CB-CB 4.24Å; A1618-R1623 PolarHBondContact O-N 2.85Å; A1618-V1625 HydrophobicContact CB-CB 4.24Å; A1618-V1625 HydrophobicContact CB-CG1 3.52Å; A1618-V1625 HydrophobicContact CB-CG2 3.68Å |
| 1619 | H | 92.5 | Very high | 92.5 | Very high | 105 Ų | 105 | 38.7 Ų | 38.7 | 49% | 0.486 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.4 | -46 | 174.8 | -175.2 | 61.4 | 0 | 0 | 0 | 112.2 | I1615 M1616 L1617 L1621 D1622 V1647 | I1615-H1619 WeakPolarHBondContact O-CB 3.37Å; I1615-H1619 PolarHBondContact O-N 3.19Å; M1616-H1619 PolarHBondContact O-N 3.24Å; L1617-H1619 VanDerWaalsContact C-N 3.35Å; H1619-L1621 PolarHBondContact O-N 3.05Å; H1619-D1622 PolarHBondContact O-N 2.9Å; H1619-D1622 VanDerWaalsContact O-N 3.14Å; H1619-V1647 HydrophobicContact CB-CG1 4.04Å |
| 1620 | L | 91.1 | Very high | 92.8 | Very high | 120 Ų | 120 | 30.7 Ų | 30.7 | 63% | 0.628 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -60.4 | -32.2 | 176.5 | -72.1 | 173.4 | 0 | 0 | 0 | 113 | M1616 L1617 | M1616-L1620 HydrophobicContact CE-CD1 4.18Å; M1616-L1620 HydrophobicContact CE-CD2 4.15Å; M1616-L1620 HydrophobicContact CE-CG 4.17Å; M1616-L1620 HydrophobicContact CG-CD1 4.31Å; M1616-L1620 WeakPolarHBondContact O-CG 3.45Å; M1616-L1620 PolarHBondContact O-N 3.44Å; L1617-L1620 PolarHBondContact O-N 2.92Å |
| 1621 | L | 91.9 | Very high | 92.9 | Very high | 47 Ų | 47 | 30.1 Ų | 30.1 | 25% | 0.246 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 4.6 | 179.8 | -62.3 | 171.7 | 0 | 0 | 0 | 113.5 | Q1590 L1593 L1617 A1618 H1619 R1623 | Q1590-L1621 HydrophobicContact CG-CD1 4.08Å; Q1590-L1621 HydrophobicContact CG-CD2 4.46Å; L1593-L1621 HydrophobicContact CB-CD1 3.57Å; L1593-L1621 HydrophobicContact CD1-CD1 3.99Å; L1593-L1621 HydrophobicContact CG-CD1 4.42Å; L1617-L1621 HydrophobicContact CD1-CD1 4.06Å; L1617-L1621 HydrophobicContact CD1-CG 4.45Å; L1617-L1621 HydrophobicContact CG-CD1 3.97Å; L1617-L1621 WeakPolarHBondContact O-CB 3.43Å; L1617-L1621 VanDerWaalsContact O-CG 3.28Å; L1617-L1621 WeakPolarHBondContact O-CG 3.42Å; L1617-L1621 PolarHBondContact O-N 2.88Å; A1618-L1621 CarbonylContact O-C 3.36Å; A1618-L1621 PolarHBondContact O-N 2.91Å; H1619-L1621 PolarHBondContact O-N 3.05Å; L1621-R1623 VanDerWaalsContact C-N 3.32Å; L1621-R1623 HydrophobicContact CB-CG 3.87Å; L1621-R1623 PolarHBondContact O-N 2.8Å |
| 1622 | D | 90.1 | Very high | 93 | Very high | 80 Ų | 80 | 31.1 Ų | 31.1 | 43% | 0.428 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 53 | -171.8 | 178.1 | 49.2 | 0 | 0 | 0 | 112.2 | K1598 A1618 H1619 K1648 | K1598-D1622 IonicContact NZ-OD2 3.13Å; K1598-D1622 PolarHBondContact NZ-OD2 3.24Å; A1618-D1622 PolarHBondContact O-N 3.36Å; H1619-D1622 PolarHBondContact O-N 2.9Å; H1619-D1622 VanDerWaalsContact O-N 3.14Å; D1622-K1648 IonicContact OD1-NZ 2.83Å; D1622-K1648 PolarHBondContact OD1-NZ 2.91Å |
| 1623 | R | 91.5 | Very high | 93.1 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | trans | -115.5 | 141.7 | 177.1 | -63.8 | -58.1 | -58.4 | -155.7 | 1.6 | 110.4 | L1593 W1596 P1597 K1598 A1618 L1621 | L1593-R1623 HydrophobicContact CB-CG 4.32Å; L1593-R1623 HydrophobicContact CD2-CB 4.22Å; L1593-R1623 HydrophobicContact CD2-CG 4.41Å; L1593-R1623 WeakPolarHBondContact O-CD 3.47Å; L1593-R1623 WeakPolarHBondContact O-CG 3.33Å; L1593-R1623 PolarHBondContact O-NE 2.94Å; W1596-R1623 VanDerWaalsContact O-CZ 3.27Å; W1596-R1623 PolarHBondContact O-NH1 2.9Å; W1596-R1623 PolarHBondContact O-NH2 3.26Å; P1597-R1623 PolarHBondContact O-NH2 3.3Å; K1598-R1623 VanDerWaalsContact CA-NH1 3.29Å; K1598-R1623 VanDerWaalsContact CG-NH1 3.27Å; A1618-R1623 HydrophobicContact CB-CB 4.24Å; A1618-R1623 PolarHBondContact O-N 2.85Å; L1621-R1623 VanDerWaalsContact C-N 3.32Å; L1621-R1623 HydrophobicContact CB-CG 3.87Å; L1621-R1623 PolarHBondContact O-N 2.8Å | ||
| 1624 | S | 92.2 | Very high | 93.2 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 37% | 0.371 | 18% | 0.179 | S | C | . | . | trans | -84.5 | 136.2 | 164.9 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | K1648 | S1624-K1648 VanDerWaalsContact CA-O 3.23Å; S1624-K1648 WeakPolarHBondContact CA-O 3.34Å | ||
| 1625 | V | 95 | Very high | 93.3 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.6 | 174.6 | -70.5 | 0 | 0 | 0 | 0 | 111.1 | L1593 I1602 A1618 I1627 K1648 V1649 T1650 | L1593-V1625 HydrophobicContact CD2-CG1 3.79Å; I1602-V1625 HydrophobicContact CB-CG1 4.37Å; I1602-V1625 HydrophobicContact CG2-CG1 4.21Å; I1602-V1625 WeakPolarHBondContact O-CA 3.27Å; A1618-V1625 HydrophobicContact CB-CB 4.24Å; A1618-V1625 HydrophobicContact CB-CG1 3.52Å; A1618-V1625 HydrophobicContact CB-CG2 3.68Å; V1625-I1627 HydrophobicContact CG2-CD1 4.32Å; V1625-K1648 PolarHBondContact N-O 2.92Å; V1625-V1649 HydrophobicContact CG2-CG2 4.36Å; V1625-V1649 WeakPolarHBondContact O-CA 3.36Å; V1625-T1650 PolarHBondContact O-N 2.99Å |
| 1626 | H | 97.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.8 | 171.7 | -172.1 | 78.3 | 0 | 0 | 0 | 109.5 | I1602 V1603 C1604 T1650 C1651 E1652 F1755 | I1602-H1626 PolarHBondContact O-N 2.82Å; V1603-H1626 WeakPolarHBondContact CA-O 3.17Å; V1603-H1626 HydrophobicContact CG2-CB 4.35Å; C1604-H1626 PolarHBondContact N-O 3.09Å; H1626-T1650 CarbonylContact C-O 3.5Å; H1626-T1650 VanDerWaalsContact CA-O 3.31Å; H1626-T1650 WeakPolarHBondContact CA-O 3.34Å; H1626-T1650 PolarHBondContact ND1-OG1 3.18Å; H1626-C1651 VanDerWaalsContact CE1-C 3.41Å; H1626-E1652 IonicContact CD2-OE2 3.96Å; H1626-E1652 IonicContact NE2-OE2 3.61Å; H1626-E1652 PolarHBondContact NE2-OE2 2.92Å; H1626-F1755 AromaticContact CD2-CZ 3.83Å |
| 1627 | I | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 122.8 | -179.7 | -53.5 | -56.2 | 0 | 0 | 0 | 109.7 | C1604 T1611 V1614 I1615 V1625 V1630 I1639 V1649 T1650 C1651 E1652 | C1604-I1627 HydrophobicContact CB-CD1 4.33Å; T1611-I1627 HydrophobicContact CG2-CD1 4.49Å; T1611-I1627 HydrophobicContact CG2-CG1 4.36Å; T1611-I1627 HydrophobicContact CG2-CG2 3.93Å; V1614-I1627 HydrophobicContact CG1-CD1 3.7Å; I1615-I1627 HydrophobicContact CD1-CD1 4.42Å; I1615-I1627 HydrophobicContact CD1-CG1 4.19Å; I1615-I1627 HydrophobicContact CG1-CD1 4.06Å; I1615-I1627 HydrophobicContact CG1-CG1 4.28Å; V1625-I1627 HydrophobicContact CG2-CD1 4.32Å; I1627-V1630 HydrophobicContact CB-CG2 4.46Å; I1627-V1630 HydrophobicContact CG2-CG2 3.98Å; I1627-I1639 HydrophobicContact CB-CD1 4.32Å; I1627-I1639 HydrophobicContact CG1-CD1 4.49Å; I1627-I1639 HydrophobicContact CG2-CD1 4.33Å; I1627-V1649 HydrophobicContact CG1-CG2 3.81Å; I1627-T1650 PolarHBondContact N-O 3.13Å; I1627-C1651 HydrophobicContact CB-CB 4.2Å; I1627-C1651 VanDerWaalsContact O-CA 3.32Å; I1627-C1651 WeakPolarHBondContact O-CA 3.07Å; I1627-E1652 PolarHBondContact O-N 2.99Å |
| 1628 | C | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -77.1 | 150.7 | -178.9 | -71.6 | 0 | 0 | 0 | 0 | 113.6 | K1571 V1603 C1604 V1630 E1652 | K1571-C1628 PolarHBondContact NZ-SG 2.98Å; V1603-C1628 WeakPolarHBondContact CG1-SG 3.39Å; C1604-C1628 PolarHBondContact O-N 2.84Å; C1628-V1630 PolarHBondContact O-N 2.94Å; C1628-V1630 VanDerWaalsContact O-N 3.11Å; C1628-E1652 WeakPolarHBondContact CA-OE1 3.43Å; C1628-E1652 WeakPolarHBondContact CB-OE1 3.29Å; C1628-E1652 PolarHBondContact SG-OE1 3.42Å | ||
| 1629 | H | 92.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | 33.1 | 59.4 | 168.2 | 48.8 | 46.4 | 0 | 0 | 0 | 114.4 | H1486 H1605 A1631 E1652 C1654 P1677 | H1486-H1629 AromaticContact CE1-CD2 3.63Å; H1486-H1629 AromaticContact CE1-NE2 3.94Å; H1605-H1629 AromaticContact CD2-CE1 3.79Å; H1605-H1629 AromaticContact CE1-CE1 3.17Å; H1605-H1629 PolarHBondContact CE1-CE1 2.73Å; H1605-H1629 AromaticContact CE1-NE2 3.19Å; H1605-H1629 PolarHBondContact CE1-NE2 3.09Å; H1605-H1629 AromaticContact CG-CE1 3.53Å; H1605-H1629 AromaticContact CG-NE2 3.57Å; H1605-H1629 AromaticContact ND1-CE1 3.21Å; H1605-H1629 PolarHBondContact ND1-CE1 3.48Å; H1605-H1629 AromaticContact ND1-NE2 2.89Å; H1605-H1629 PolarHBondContact ND1-NE2 2.8Å; H1605-H1629 AromaticContact NE2-CE1 3.57Å; H1629-A1631 PolarHBondContact O-N 3.49Å; H1629-E1652 PolarHBondContact N-OE1 3.02Å; H1629-C1654 WeakPolarHBondContact CB-SG 3.44Å; H1629-P1677 WeakPolarHBondContact ND1-CD 3.31Å; H1629-P1677 WeakPolarHBondContact O-CG 3.38Å | ||
| 1630 | V | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | trans | -61.8 | 123.6 | 176.4 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | I1627 C1628 E1635 I1636 I1639 C1651 E1652 V1653 L1688 | I1627-V1630 HydrophobicContact CB-CG2 4.46Å; I1627-V1630 HydrophobicContact CG2-CG2 3.98Å; C1628-V1630 PolarHBondContact O-N 2.94Å; C1628-V1630 VanDerWaalsContact O-N 3.11Å; V1630-E1635 HydrophobicContact CG1-CB 3.85Å; V1630-I1636 HydrophobicContact CG1-CB 3.94Å; V1630-I1636 HydrophobicContact CG1-CD1 4.37Å; V1630-I1639 HydrophobicContact CB-CD1 4.47Å; V1630-I1639 HydrophobicContact CG1-CD1 4.19Å; V1630-I1639 HydrophobicContact CG2-CD1 3.42Å; V1630-I1639 VanDerWaalsContact CG2-CD1 3.42Å; V1630-C1651 HydrophobicContact CG2-CB 3.7Å; V1630-E1652 PolarHBondContact N-O 3.39Å; V1630-V1653 WeakPolarHBondContact O-CG2 3.44Å; V1630-L1688 HydrophobicContact CG1-CD2 4.04Å | ||
| 1631 | A | 93.7 | Very high | 94 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | trans | -124.4 | -23.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1629 E1635 P1677 | H1629-A1631 PolarHBondContact O-N 3.49Å; A1631-E1635 PolarHBondContact N-OE2 2.7Å; A1631-E1635 VanDerWaalsContact N-OE2 3.11Å; A1631-P1677 HydrophobicContact CB-CB 3.75Å; A1631-P1677 HydrophobicContact CB-CG 4.07Å | ||
| 1632 | R | 93.5 | Very high | 94 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -109.2 | 150.7 | -171.5 | -59.7 | 178.7 | -177.5 | 106.6 | 1.1 | 112.7 | E1607 E1634 E1635 I1636 C1680 | E1607-R1632 IonicContact OE2-CZ 3.87Å; E1607-R1632 IonicContact OE2-NH1 2.76Å; E1607-R1632 PolarHBondContact OE2-NH1 2.93Å; E1607-R1632 IonicContact OE2-NH2 3.33Å; E1607-R1632 PolarHBondContact OE2-NH2 3.05Å; R1632-E1634 VanDerWaalsContact C-N 3.29Å; R1632-E1634 HydrophobicContact CB-CG 3.93Å; R1632-E1634 WeakPolarHBondContact CD-OE1 3.32Å; R1632-E1634 PolarHBondContact O-N 3.2Å; R1632-E1635 HydrophobicContact CB-CG 4.17Å; R1632-E1635 IonicContact CZ-OE1 2.68Å; R1632-E1635 PolarHBondContact N-OE2 3.35Å; R1632-E1635 VanDerWaalsContact N-OE2 3.12Å; R1632-E1635 IonicContact NH1-OE1 2.86Å; R1632-E1635 PolarHBondContact NH1-OE1 2.95Å; R1632-E1635 PolarHBondContact O-N 2.99Å; R1632-E1635 VanDerWaalsContact O-N 3.12Å; R1632-I1636 PolarHBondContact O-N 2.59Å; R1632-I1636 VanDerWaalsContact O-N 3.16Å; R1632-C1680 VanDerWaalsContact CG-SG 3.57Å |
| 1633 | K | 94.1 | Very high | 94.3 | Very high | 59 Ų | 59 | 29.4 Ų | 29.4 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -54.4 | -44 | 173.3 | 179.5 | 168.6 | 178.6 | 170.8 | 0 | 112.3 | E1635 I1636 Q1637 E1683 D1684 A1687 | K1633-E1635 VanDerWaalsContact C-N 3.3Å; K1633-E1635 PolarHBondContact O-N 3.49Å; K1633-I1636 WeakPolarHBondContact O-CG2 3.19Å; K1633-Q1637 VanDerWaalsContact CE-NE2 3.34Å; K1633-Q1637 HydrophobicContact CG-CG 4.35Å; K1633-Q1637 VanDerWaalsContact O-CB 3.31Å; K1633-Q1637 WeakPolarHBondContact O-CB 3.44Å; K1633-Q1637 WeakPolarHBondContact O-CG 3.3Å; K1633-Q1637 PolarHBondContact O-N 3.33Å; K1633-E1683 HydrophobicContact CD-CG 4.2Å; K1633-E1683 IonicContact NZ-OE1 3.95Å; K1633-E1683 PolarHBondContact NZ-OE1 3.45Å; K1633-D1684 WeakPolarHBondContact CB-OD1 3.28Å; K1633-D1684 PolarHBondContact N-OD1 2.79Å; K1633-A1687 HydrophobicContact CB-CB 3.71Å; K1633-A1687 HydrophobicContact CD-CB 3.97Å; K1633-A1687 HydrophobicContact CG-CB 3.62Å |
| 1634 | E | 93.3 | Very high | 94.4 | Very high | 102 Ų | 102 | 34 Ų | 34 | 48% | 0.477 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.5 | -36.1 | 179 | 63.7 | -178.4 | 171 | 0 | 0 | 112.9 | R1608 R1632 L1638 | R1608-E1634 VanDerWaalsContact CG-OE1 3.32Å; R1608-E1634 WeakPolarHBondContact CG-OE1 3.44Å; R1608-E1634 IonicContact NE-OE1 3.63Å; R1632-E1634 VanDerWaalsContact C-N 3.29Å; R1632-E1634 HydrophobicContact CB-CG 3.93Å; R1632-E1634 WeakPolarHBondContact CD-OE1 3.32Å; R1632-E1634 PolarHBondContact O-N 3.2Å; E1634-L1638 VanDerWaalsContact O-CB 3.32Å; E1634-L1638 WeakPolarHBondContact O-CB 3.47Å; E1634-L1638 PolarHBondContact O-N 2.85Å |
| 1635 | E | 94.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.9 | -47.3 | -178.4 | -68 | 160.3 | -179.7 | 0 | 0 | 110.6 | R1608 V1630 A1631 R1632 K1633 L1638 I1639 | R1608-E1635 PolarHBondContact N-OE1 2.82Å; V1630-E1635 HydrophobicContact CG1-CB 3.85Å; A1631-E1635 PolarHBondContact N-OE2 2.7Å; A1631-E1635 VanDerWaalsContact N-OE2 3.11Å; R1632-E1635 HydrophobicContact CB-CG 4.17Å; R1632-E1635 IonicContact CZ-OE1 2.68Å; R1632-E1635 PolarHBondContact N-OE2 3.35Å; R1632-E1635 VanDerWaalsContact N-OE2 3.12Å; R1632-E1635 IonicContact NH1-OE1 2.86Å; R1632-E1635 PolarHBondContact NH1-OE1 2.95Å; R1632-E1635 PolarHBondContact O-N 2.99Å; R1632-E1635 VanDerWaalsContact O-N 3.12Å; K1633-E1635 VanDerWaalsContact C-N 3.3Å; K1633-E1635 PolarHBondContact O-N 3.49Å; E1635-L1638 PolarHBondContact O-N 3.2Å; E1635-I1639 WeakPolarHBondContact O-CD1 3.18Å; E1635-I1639 WeakPolarHBondContact O-CG1 3.36Å; E1635-I1639 PolarHBondContact O-N 3.1Å |
| 1636 | I | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.2 | -35.5 | -179.8 | -168 | 58.8 | 0 | 0 | 0 | 112.2 | V1630 R1632 K1633 L1638 I1639 R1640 A1687 L1688 N1691 I1695 | V1630-I1636 HydrophobicContact CG1-CB 3.94Å; V1630-I1636 HydrophobicContact CG1-CD1 4.37Å; R1632-I1636 PolarHBondContact O-N 2.59Å; R1632-I1636 VanDerWaalsContact O-N 3.16Å; K1633-I1636 WeakPolarHBondContact O-CG2 3.19Å; I1636-L1638 VanDerWaalsContact C-N 3.35Å; I1636-I1639 PolarHBondContact O-N 3.29Å; I1636-R1640 VanDerWaalsContact O-CB 3.31Å; I1636-R1640 WeakPolarHBondContact O-CB 3.49Å; I1636-R1640 PolarHBondContact O-N 3.04Å; I1636-A1687 HydrophobicContact CG2-CB 4.44Å; I1636-L1688 HydrophobicContact CB-CD2 4.18Å; I1636-L1688 HydrophobicContact CG1-CD2 4.48Å; I1636-L1688 HydrophobicContact CG2-CD2 4.34Å; I1636-N1691 HydrophobicContact CG1-CB 3.66Å; I1636-I1695 HydrophobicContact CD1-CD1 4.37Å; I1636-I1695 HydrophobicContact CD1-CG1 3.73Å |
| 1637 | Q | 94.5 | Very high | 93.9 | Very high | 90 Ų | 90 | 43.5 Ų | 43.5 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 174.4 | -74.7 | -178.8 | -13.9 | 0 | 0 | 112.3 | K1633 S1641 | K1633-Q1637 VanDerWaalsContact CE-NE2 3.34Å; K1633-Q1637 HydrophobicContact CG-CG 4.35Å; K1633-Q1637 VanDerWaalsContact O-CB 3.31Å; K1633-Q1637 WeakPolarHBondContact O-CB 3.44Å; K1633-Q1637 WeakPolarHBondContact O-CG 3.3Å; K1633-Q1637 PolarHBondContact O-N 3.33Å; Q1637-S1641 WeakPolarHBondContact O-CB 3.44Å; Q1637-S1641 PolarHBondContact O-N 2.84Å; Q1637-S1641 PolarHBondContact O-OG 3Å |
| 1638 | L | 93.7 | Very high | 93.5 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.4 | -45.4 | 174.1 | -176.7 | 103 | 0 | 0 | 0 | 111.1 | T1611 A1612 I1615 E1634 E1635 I1636 S1641 A1642 | T1611-L1638 HydrophobicContact CG2-CD2 4Å; A1612-L1638 HydrophobicContact CB-CD1 3.92Å; A1612-L1638 HydrophobicContact CB-CD2 3.96Å; I1615-L1638 HydrophobicContact CD1-CD2 3.75Å; E1634-L1638 VanDerWaalsContact O-CB 3.32Å; E1634-L1638 WeakPolarHBondContact O-CB 3.47Å; E1634-L1638 PolarHBondContact O-N 2.85Å; E1635-L1638 PolarHBondContact O-N 3.2Å; I1636-L1638 VanDerWaalsContact C-N 3.35Å; L1638-S1641 PolarHBondContact O-N 3.32Å; L1638-A1642 WeakPolarHBondContact O-CB 3.14Å; L1638-A1642 PolarHBondContact O-N 3.21Å |
| 1639 | I | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 178.1 | -69.5 | 159.4 | 0 | 0 | 0 | 111.1 | I1615 I1627 V1630 E1635 I1636 S1641 A1642 K1643 V1649 C1651 | I1615-I1639 HydrophobicContact CD1-CG1 4Å; I1627-I1639 HydrophobicContact CB-CD1 4.32Å; I1627-I1639 HydrophobicContact CG1-CD1 4.49Å; I1627-I1639 HydrophobicContact CG2-CD1 4.33Å; V1630-I1639 HydrophobicContact CB-CD1 4.47Å; V1630-I1639 HydrophobicContact CG1-CD1 4.19Å; V1630-I1639 HydrophobicContact CG2-CD1 3.42Å; V1630-I1639 VanDerWaalsContact CG2-CD1 3.42Å; E1635-I1639 WeakPolarHBondContact O-CD1 3.18Å; E1635-I1639 WeakPolarHBondContact O-CG1 3.36Å; E1635-I1639 PolarHBondContact O-N 3.1Å; I1636-I1639 PolarHBondContact O-N 3.29Å; I1639-S1641 VanDerWaalsContact C-N 3.35Å; I1639-S1641 PolarHBondContact O-N 3.46Å; I1639-A1642 PolarHBondContact O-N 2.9Å; I1639-K1643 HydrophobicContact CG2-CD 4.19Å; I1639-K1643 HydrophobicContact CG2-CG 4.38Å; I1639-K1643 WeakPolarHBondContact O-CB 2.97Å; I1639-K1643 WeakPolarHBondContact O-CG 3.35Å; I1639-K1643 PolarHBondContact O-N 3.06Å; I1639-V1649 HydrophobicContact CG2-CG1 4.35Å; I1639-C1651 HydrophobicContact CD1-CB 3.76Å; I1639-C1651 HydrophobicContact CG2-CB 4.3Å |
| 1640 | R | 94.9 | Very high | 93.8 | Very high | 97 Ų | 97 | 51 Ų | 51 | 37% | 0.366 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -54 | -52.1 | 172.1 | 170 | 174.7 | 173.3 | -178.5 | -2.3 | 111 | I1636 A1642 K1643 E1644 N1691 Y1694 | I1636-R1640 VanDerWaalsContact O-CB 3.31Å; I1636-R1640 WeakPolarHBondContact O-CB 3.49Å; I1636-R1640 PolarHBondContact O-N 3.04Å; R1640-A1642 VanDerWaalsContact C-N 3.26Å; R1640-A1642 PolarHBondContact O-N 2.75Å; R1640-K1643 PolarHBondContact O-N 3.02Å; R1640-E1644 HydrophobicContact CG-CG 4.35Å; R1640-E1644 WeakPolarHBondContact CG-OE1 3.34Å; R1640-E1644 IonicContact CZ-OE1 3.6Å; R1640-E1644 IonicContact NE-OE1 2.82Å; R1640-E1644 PolarHBondContact NE-OE1 3.41Å; R1640-E1644 IonicContact NH2-OE1 2.79Å; R1640-E1644 PolarHBondContact NH2-OE1 2.63Å; R1640-E1644 WeakPolarHBondContact O-CB 3.36Å; R1640-E1644 WeakPolarHBondContact O-CG 3.33Å; R1640-E1644 PolarHBondContact O-N 3.08Å; R1640-N1691 VanDerWaalsContact CD-OD1 3.28Å; R1640-N1691 WeakPolarHBondContact CD-OD1 3.48Å; R1640-N1691 PolarHBondContact NH1-OD1 3.04Å; R1640-N1691 VanDerWaalsContact NH1-OD1 3.15Å; R1640-Y1694 HydrophobicContact CB-CD1 4.14Å; R1640-Y1694 HydrophobicContact CB-CD2 4.33Å; R1640-Y1694 HydrophobicContact CB-CG 4.04Å; R1640-Y1694 HydrophobicContact CG-CD1 3.91Å; R1640-Y1694 HydrophobicContact CG-CD2 4.01Å; R1640-Y1694 HydrophobicContact CG-CE1 3.81Å; R1640-Y1694 HydrophobicContact CG-CE2 3.92Å; R1640-Y1694 HydrophobicContact CG-CG 4.01Å |
| 1641 | S | 93.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 51 Ų | 51 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | 179.3 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | Q1637 L1638 I1639 K1645 | Q1637-S1641 WeakPolarHBondContact O-CB 3.44Å; Q1637-S1641 PolarHBondContact O-N 2.84Å; Q1637-S1641 PolarHBondContact O-OG 3Å; L1638-S1641 PolarHBondContact O-N 3.32Å; I1639-S1641 VanDerWaalsContact C-N 3.35Å; I1639-S1641 PolarHBondContact O-N 3.46Å; S1641-K1645 WeakPolarHBondContact O-CB 3.38Å; S1641-K1645 VanDerWaalsContact O-CG 3.28Å; S1641-K1645 WeakPolarHBondContact O-CG 3.41Å; S1641-K1645 PolarHBondContact O-N 2.83Å |
| 1642 | A | 93 | Very high | 94.1 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.2 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1615 L1638 I1639 R1640 K1645 G1646 V1647 V1649 | I1615-A1642 HydrophobicContact CG2-CB 4Å; L1638-A1642 WeakPolarHBondContact O-CB 3.14Å; L1638-A1642 PolarHBondContact O-N 3.21Å; I1639-A1642 PolarHBondContact O-N 2.9Å; R1640-A1642 VanDerWaalsContact C-N 3.26Å; R1640-A1642 PolarHBondContact O-N 2.75Å; A1642-K1645 CarbonylContact O-C 3.54Å; A1642-K1645 PolarHBondContact O-N 2.82Å; A1642-G1646 PolarHBondContact O-N 2.97Å; A1642-V1647 HydrophobicContact CB-CB 4.01Å; A1642-V1647 HydrophobicContact CB-CG1 4.46Å; A1642-V1647 HydrophobicContact CB-CG2 4.28Å; A1642-V1647 VanDerWaalsContact O-CB 3.26Å; A1642-V1647 WeakPolarHBondContact O-CB 3.45Å; A1642-V1647 WeakPolarHBondContact O-CG2 3.38Å; A1642-V1647 PolarHBondContact O-N 3.37Å; A1642-V1649 HydrophobicContact CB-CG1 3.75Å |
| 1643 | K | 95.3 | Very high | 94.2 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 19% | 0.191 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.7 | -74.6 | -175.4 | 174.4 | -175.4 | 0 | 112.7 | I1639 R1640 K1645 G1646 V1649 Y1694 D1696 | I1639-K1643 HydrophobicContact CG2-CD 4.19Å; I1639-K1643 HydrophobicContact CG2-CG 4.38Å; I1639-K1643 WeakPolarHBondContact O-CB 2.97Å; I1639-K1643 WeakPolarHBondContact O-CG 3.35Å; I1639-K1643 PolarHBondContact O-N 3.06Å; R1640-K1643 PolarHBondContact O-N 3.02Å; K1643-K1645 PolarHBondContact O-N 3.29Å; K1643-G1646 PolarHBondContact O-N 2.94Å; K1643-V1649 WeakPolarHBondContact CE-O 3.37Å; K1643-V1649 HydrophobicContact CG-CG1 3.92Å; K1643-Y1694 HydrophobicContact CD-CD1 4.45Å; K1643-Y1694 PolarHBondContact NZ-O 3.4Å; K1643-D1696 WeakPolarHBondContact CE-OD2 3.34Å; K1643-D1696 IonicContact NZ-OD1 2.83Å; K1643-D1696 PolarHBondContact NZ-OD1 2.62Å; K1643-D1696 IonicContact NZ-OD2 2.67Å; K1643-D1696 PolarHBondContact NZ-OD2 2.57Å |
| 1644 | E | 93.9 | Very high | 94.3 | Very high | 110 Ų | 110 | 47.1 Ų | 47.1 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.5 | -28.8 | 175.5 | -72.9 | 174.1 | 174.9 | 0 | 0 | 111.9 | R1640 G1646 Y1694 | R1640-E1644 HydrophobicContact CG-CG 4.35Å; R1640-E1644 WeakPolarHBondContact CG-OE1 3.34Å; R1640-E1644 IonicContact CZ-OE1 3.6Å; R1640-E1644 IonicContact NE-OE1 2.82Å; R1640-E1644 PolarHBondContact NE-OE1 3.41Å; R1640-E1644 IonicContact NH2-OE1 2.79Å; R1640-E1644 PolarHBondContact NH2-OE1 2.63Å; R1640-E1644 WeakPolarHBondContact O-CB 3.36Å; R1640-E1644 WeakPolarHBondContact O-CG 3.33Å; R1640-E1644 PolarHBondContact O-N 3.08Å; E1644-G1646 VanDerWaalsContact C-N 3.33Å; E1644-Y1694 HydrophobicContact CG-CE1 4.13Å; E1644-Y1694 PolarHBondContact OE1-OH 3.33Å |
| 1645 | K | 92.3 | Very high | 94.4 | Very high | 173 Ų | 173 | 42.5 Ų | 42.5 | 75% | 0.752 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 4.9 | 174 | -70.8 | 176.5 | -178.3 | 177.7 | 0 | 114.3 | S1641 A1642 K1643 V1647 | S1641-K1645 WeakPolarHBondContact O-CB 3.38Å; S1641-K1645 VanDerWaalsContact O-CG 3.28Å; S1641-K1645 WeakPolarHBondContact O-CG 3.41Å; S1641-K1645 PolarHBondContact O-N 2.83Å; A1642-K1645 CarbonylContact O-C 3.54Å; A1642-K1645 PolarHBondContact O-N 2.82Å; K1643-K1645 PolarHBondContact O-N 3.29Å; K1645-V1647 VanDerWaalsContact C-N 3.31Å; K1645-V1647 HydrophobicContact CB-CG2 4.46Å; K1645-V1647 PolarHBondContact O-N 3.23Å |
| 1646 | G | 89.4 | Confident | 94.3 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 63% | 0.629 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 16.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1642 K1643 E1644 | A1642-G1646 PolarHBondContact O-N 2.97Å; K1643-G1646 PolarHBondContact O-N 2.94Å; E1644-G1646 VanDerWaalsContact C-N 3.33Å |
| 1647 | V | 91.1 | Very high | 94.3 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 15% | 0.145 | 22% | 0.22 | C | C | . | . | trans | -69.1 | 132.6 | 172.1 | -178 | 0 | 0 | 0 | 0 | 108.8 | I1615 H1619 A1642 K1645 V1649 | I1615-V1647 HydrophobicContact CG2-CG1 3.94Å; H1619-V1647 HydrophobicContact CB-CG1 4.04Å; A1642-V1647 HydrophobicContact CB-CB 4.01Å; A1642-V1647 HydrophobicContact CB-CG1 4.46Å; A1642-V1647 HydrophobicContact CB-CG2 4.28Å; A1642-V1647 VanDerWaalsContact O-CB 3.26Å; A1642-V1647 WeakPolarHBondContact O-CB 3.45Å; A1642-V1647 WeakPolarHBondContact O-CG2 3.38Å; A1642-V1647 PolarHBondContact O-N 3.37Å; K1645-V1647 VanDerWaalsContact C-N 3.31Å; K1645-V1647 HydrophobicContact CB-CG2 4.46Å; K1645-V1647 PolarHBondContact O-N 3.23Å; V1647-V1649 PolarHBondContact O-N 2.9Å | ||
| 1648 | K | 90.5 | Very high | 94.3 | Very high | 122 Ų | 122 | 38.4 Ų | 38.4 | 53% | 0.53 | 20% | 0.2 | S | C | . | . | trans | -74.5 | 63.7 | -178.4 | -61.7 | 173.9 | -173.8 | 161.9 | 0 | 111.8 | D1622 S1624 V1625 | D1622-K1648 IonicContact OD1-NZ 2.83Å; D1622-K1648 PolarHBondContact OD1-NZ 2.91Å; S1624-K1648 VanDerWaalsContact CA-O 3.23Å; S1624-K1648 WeakPolarHBondContact CA-O 3.34Å; V1625-K1648 PolarHBondContact N-O 2.92Å | ||
| 1649 | V | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138 | 175.8 | 62.3 | 0 | 0 | 0 | 0 | 110.3 | I1615 V1625 I1627 I1639 A1642 K1643 V1647 | I1615-V1649 HydrophobicContact CD1-CG2 3.89Å; I1615-V1649 HydrophobicContact CG1-CB 4.49Å; I1615-V1649 HydrophobicContact CG1-CG2 3.92Å; V1625-V1649 HydrophobicContact CG2-CG2 4.36Å; V1625-V1649 WeakPolarHBondContact O-CA 3.36Å; I1627-V1649 HydrophobicContact CG1-CG2 3.81Å; I1639-V1649 HydrophobicContact CG2-CG1 4.35Å; A1642-V1649 HydrophobicContact CB-CG1 3.75Å; K1643-V1649 WeakPolarHBondContact CE-O 3.37Å; K1643-V1649 HydrophobicContact CG-CG1 3.92Å; V1647-V1649 PolarHBondContact O-N 2.9Å |
| 1650 | T | 96.7 | Very high | 94.3 | Very high | 33 Ų | 33 | 37.5 Ų | 37.5 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 161.1 | 166.7 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | V1625 H1626 I1627 D1696 I1754 | V1625-T1650 PolarHBondContact O-N 2.99Å; H1626-T1650 CarbonylContact C-O 3.5Å; H1626-T1650 VanDerWaalsContact CA-O 3.31Å; H1626-T1650 WeakPolarHBondContact CA-O 3.34Å; H1626-T1650 PolarHBondContact ND1-OG1 3.18Å; I1627-T1650 PolarHBondContact N-O 3.13Å; T1650-D1696 WeakPolarHBondContact CA-OD2 3.4Å; T1650-D1696 WeakPolarHBondContact CB-OD2 3.34Å; T1650-I1754 HydrophobicContact CG2-CD1 3.84Å; T1650-I1754 HydrophobicContact CG2-CG1 4.09Å |
| 1651 | C | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 156.5 | 178.4 | 65.6 | 0 | 0 | 0 | 0 | 113.3 | H1626 I1627 V1630 I1639 D1696 V1697 | H1626-C1651 VanDerWaalsContact CE1-C 3.41Å; I1627-C1651 HydrophobicContact CB-CB 4.2Å; I1627-C1651 VanDerWaalsContact O-CA 3.32Å; I1627-C1651 WeakPolarHBondContact O-CA 3.07Å; V1630-C1651 HydrophobicContact CG2-CB 3.7Å; I1639-C1651 HydrophobicContact CD1-CB 3.76Å; I1639-C1651 HydrophobicContact CG2-CB 4.3Å; C1651-D1696 PolarHBondContact N-OD2 2.95Å; C1651-D1696 PolarHBondContact O-N 3.4Å; C1651-D1696 VanDerWaalsContact O-N 3.13Å; C1651-V1697 PolarHBondContact O-N 3.46Å; C1651-V1697 VanDerWaalsContact O-N 3.11Å |
| 1652 | E | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 154.2 | 169.9 | 72.9 | -164.1 | -172.9 | 0 | 0 | 111.5 | V1485 H1486 H1626 I1627 C1628 H1629 V1630 V1697 A1699 | V1485-E1652 VanDerWaalsContact CG2-OE2 3.25Å; V1485-E1652 WeakPolarHBondContact CG2-OE2 3.18Å; H1486-E1652 IonicContact CE1-OE1 3.28Å; H1486-E1652 IonicContact CG-OE1 2.83Å; H1486-E1652 IonicContact ND1-OE1 3.48Å; H1486-E1652 PolarHBondContact ND1-OE1 3.01Å; H1626-E1652 IonicContact CD2-OE2 3.96Å; H1626-E1652 IonicContact NE2-OE2 3.61Å; H1626-E1652 PolarHBondContact NE2-OE2 2.92Å; I1627-E1652 PolarHBondContact O-N 2.99Å; C1628-E1652 WeakPolarHBondContact CA-OE1 3.43Å; C1628-E1652 WeakPolarHBondContact CB-OE1 3.29Å; C1628-E1652 PolarHBondContact SG-OE1 3.42Å; H1629-E1652 PolarHBondContact N-OE1 3.02Å; V1630-E1652 PolarHBondContact N-O 3.39Å; E1652-V1697 CarbonylContact C-O 3.55Å; E1652-V1697 WeakPolarHBondContact CA-O 3.34Å; E1652-V1697 HydrophobicContact CB-CB 3.85Å; E1652-V1697 HydrophobicContact CB-CG1 4.06Å; E1652-V1697 WeakPolarHBondContact CB-O 3.22Å; E1652-A1699 HydrophobicContact CB-CB 3.9Å; E1652-A1699 VanDerWaalsContact CD-CB 3.48Å; E1652-A1699 HydrophobicContact CG-CB 3.94Å; E1652-A1699 WeakPolarHBondContact OE2-CB 3.35Å |
| 1653 | V | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.4 | 168.5 | 72 | 0 | 0 | 0 | 0 | 109.5 | V1630 H1657 L1658 L1688 I1695 V1697 F1698 A1699 | V1630-V1653 WeakPolarHBondContact O-CG2 3.44Å; V1653-H1657 HydrophobicContact CG2-CB 4.43Å; V1653-L1658 HydrophobicContact CG1-CD1 3.8Å; V1653-L1658 HydrophobicContact CG1-CD2 4.28Å; V1653-L1658 HydrophobicContact CG1-CG 4.08Å; V1653-L1658 HydrophobicContact CG2-CD2 3.93Å; V1653-L1658 HydrophobicContact CG2-CG 3.93Å; V1653-L1688 HydrophobicContact CG2-CD1 3.89Å; V1653-L1688 HydrophobicContact CG2-CD2 4.18Å; V1653-L1688 HydrophobicContact CG2-CG 4.49Å; V1653-I1695 HydrophobicContact CB-CD1 3.94Å; V1653-I1695 HydrophobicContact CB-CG2 3.97Å; V1653-I1695 HydrophobicContact CG1-CD1 3.98Å; V1653-I1695 HydrophobicContact CG1-CG2 3.6Å; V1653-I1695 HydrophobicContact CG2-CD1 4.3Å; V1653-V1697 PolarHBondContact N-O 2.74Å; V1653-F1698 HydrophobicContact CG1-CD1 3.55Å; V1653-F1698 HydrophobicContact CG1-CE1 3.76Å; V1653-A1699 PolarHBondContact O-N 2.68Å |
| 1654 | C | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -87.8 | 139.7 | 173.8 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | H1629 H1656 H1657 L1658 A1699 D1701 | H1629-C1654 WeakPolarHBondContact CB-SG 3.44Å; C1654-H1656 WeakPolarHBondContact CB-CE1 3.48Å; C1654-H1656 WeakPolarHBondContact CB-NE2 3.2Å; C1654-H1656 PolarHBondContact O-N 3.04Å; C1654-H1657 PolarHBondContact O-N 2.87Å; C1654-L1658 PolarHBondContact O-N 3.16Å; C1654-A1699 VanDerWaalsContact CA-O 3.25Å; C1654-A1699 WeakPolarHBondContact CA-O 3.37Å; C1654-A1699 PolarHBondContact SG-O 2.85Å; C1654-D1701 VanDerWaalsContact SG-CB 3.56Å | ||
| 1655 | P | 93.9 | Very high | 94 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.6 | -38.1 | 175.2 | -27 | 34.3 | 0 | 0 | 0 | 112.9 | H1657 L1658 F1659 A1699 I1725 L1728 | P1655-H1657 PolarHBondContact O-N 2.83Å; P1655-L1658 WeakPolarHBondContact O-CA 3.39Å; P1655-L1658 PolarHBondContact O-N 2.97Å; P1655-F1659 HydrophobicContact CB-CD2 4.19Å; P1655-F1659 HydrophobicContact CB-CE2 4.48Å; P1655-F1659 WeakPolarHBondContact O-CD2 3.4Å; P1655-F1659 PolarHBondContact O-N 3.07Å; P1655-A1699 WeakPolarHBondContact CD-O 3.34Å; P1655-I1725 HydrophobicContact CG-CB 3.95Å; P1655-I1725 HydrophobicContact CG-CD1 3.59Å; P1655-I1725 HydrophobicContact CG-CG1 3.51Å; P1655-L1728 HydrophobicContact CB-CD1 4.16Å |
| 1656 | H | 94.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64 | -22.3 | 176.5 | 56.3 | -100.8 | 0 | 0 | 0 | 114 | C1654 L1660 T1700 F1719 F1789 | C1654-H1656 WeakPolarHBondContact CB-CE1 3.48Å; C1654-H1656 WeakPolarHBondContact CB-NE2 3.2Å; C1654-H1656 PolarHBondContact O-N 3.04Å; H1656-L1660 HydrophobicContact CB-CD1 4.08Å; H1656-L1660 WeakPolarHBondContact O-CA 3.46Å; H1656-L1660 WeakPolarHBondContact O-CB 3.42Å; H1656-L1660 PolarHBondContact O-N 3.19Å; H1656-L1660 VanDerWaalsContact O-O 3.12Å; H1656-T1700 PolarHBondContact CE1-O 2.84Å; H1656-F1719 HydrophobicContact CB-CD2 3.75Å; H1656-F1719 HydrophobicContact CB-CE2 4.2Å; H1656-F1719 AromaticContact CG-CD2 3.76Å; H1656-F1789 HydrophobicContact CB-CZ 4.09Å |
| 1657 | H | 95.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -84.7 | -19.8 | 170.4 | -68 | -48.7 | 0 | 0 | 0 | 113.4 | V1653 C1654 P1655 P1677 L1688 | V1653-H1657 HydrophobicContact CG2-CB 4.43Å; C1654-H1657 PolarHBondContact O-N 2.87Å; P1655-H1657 PolarHBondContact O-N 2.83Å; H1657-P1677 PolarHBondContact CE1-O 3.31Å; H1657-P1677 VanDerWaalsContact CE1-O 3.3Å; H1657-L1688 HydrophobicContact CB-CD1 3.92Å |
| 1658 | L | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -83.5 | -33 | 172.5 | -66.8 | 178 | 0 | 0 | 0 | 112.8 | V1653 C1654 P1655 Q1685 L1688 W1689 I1692 F1698 | V1653-L1658 HydrophobicContact CG1-CD1 3.8Å; V1653-L1658 HydrophobicContact CG1-CD2 4.28Å; V1653-L1658 HydrophobicContact CG1-CG 4.08Å; V1653-L1658 HydrophobicContact CG2-CD2 3.93Å; V1653-L1658 HydrophobicContact CG2-CG 3.93Å; C1654-L1658 PolarHBondContact O-N 3.16Å; P1655-L1658 WeakPolarHBondContact O-CA 3.39Å; P1655-L1658 PolarHBondContact O-N 2.97Å; L1658-Q1685 WeakPolarHBondContact O-CG 3.29Å; L1658-Q1685 PolarHBondContact O-NE2 2.73Å; L1658-L1688 HydrophobicContact CD2-CB 3.87Å; L1658-L1688 HydrophobicContact CD2-CD1 4.5Å; L1658-W1689 HydrophobicContact CB-CZ2 3.87Å; L1658-W1689 HydrophobicContact CD1-CZ2 4.41Å; L1658-W1689 HydrophobicContact CD2-CD2 4.29Å; L1658-W1689 HydrophobicContact CD2-CZ2 4.44Å; L1658-W1689 HydrophobicContact CG-CZ2 4.48Å; L1658-W1689 PolarHBondContact O-NE1 3.26Å; L1658-I1692 HydrophobicContact CD2-CD1 4.47Å; L1658-F1698 HydrophobicContact CD1-CD1 4.14Å; L1658-F1698 HydrophobicContact CD1-CE1 3.7Å |
| 1659 | F | 94.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -113.2 | -15.1 | -170.6 | -65.7 | -78.5 | 0 | 0 | 0 | 114.2 | P1655 Q1685 W1689 L1728 A1732 F1789 | P1655-F1659 HydrophobicContact CB-CD2 4.19Å; P1655-F1659 HydrophobicContact CB-CE2 4.48Å; P1655-F1659 WeakPolarHBondContact O-CD2 3.4Å; P1655-F1659 PolarHBondContact O-N 3.07Å; F1659-Q1685 VanDerWaalsContact C-NE2 3.25Å; F1659-W1689 HydrophobicContact CE1-CZ2 4.07Å; F1659-W1689 HydrophobicContact CE2-CZ2 4.43Å; F1659-W1689 HydrophobicContact CZ-CH2 4.19Å; F1659-W1689 AromaticContact CZ-CZ2 3.95Å; F1659-W1689 HydrophobicContact CZ-CZ2 3.95Å; F1659-L1728 HydrophobicContact CD2-CB 3.92Å; F1659-L1728 HydrophobicContact CD2-CD1 4.19Å; F1659-L1728 HydrophobicContact CD2-CD2 4.46Å; F1659-L1728 HydrophobicContact CD2-CG 4.43Å; F1659-L1728 HydrophobicContact CE1-CB 4.5Å; F1659-L1728 HydrophobicContact CE2-CB 3.65Å; F1659-L1728 HydrophobicContact CG-CD2 4.31Å; F1659-L1728 HydrophobicContact CZ-CB 3.96Å; F1659-L1728 WeakPolarHBondContact CZ-O 3.24Å; F1659-A1732 HydrophobicContact CE1-CB 4.18Å; F1659-A1732 HydrophobicContact CZ-CB 3.9Å; F1659-F1789 HydrophobicContact CB-CE1 3.74Å; F1659-F1789 HydrophobicContact CB-CZ 4.34Å |
| 1660 | L | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -122.1 | 149 | 174.4 | -50.4 | 169.6 | 0 | 0 | 0 | 111.1 | H1656 D1664 R1667 L1668 L1679 Q1685 F1719 P1788 F1789 | H1656-L1660 HydrophobicContact CB-CD1 4.08Å; H1656-L1660 WeakPolarHBondContact O-CA 3.46Å; H1656-L1660 WeakPolarHBondContact O-CB 3.42Å; H1656-L1660 PolarHBondContact O-N 3.19Å; H1656-L1660 VanDerWaalsContact O-O 3.12Å; L1660-D1664 WeakPolarHBondContact CA-OD2 3.43Å; L1660-D1664 HydrophobicContact CB-CB 4.31Å; L1660-D1664 HydrophobicContact CD2-CB 4.05Å; L1660-R1667 VanDerWaalsContact CD2-NH2 3.35Å; L1660-L1668 HydrophobicContact CD1-CD1 4.28Å; L1660-L1679 HydrophobicContact CB-CD1 4.18Å; L1660-L1679 HydrophobicContact CB-CD2 3.86Å; L1660-Q1685 PolarHBondContact O-NE2 3.34Å; L1660-F1719 HydrophobicContact CD1-CE2 4.25Å; L1660-P1788 HydrophobicContact CD1-CB 3.74Å; L1660-P1788 HydrophobicContact CD1-CG 4Å; L1660-F1789 HydrophobicContact CD1-CE1 3.89Å; L1660-F1789 HydrophobicContact CD1-CZ 3.97Å; L1660-F1789 HydrophobicContact CD2-CD1 4.19Å; L1660-F1789 HydrophobicContact CD2-CE1 3.85Å; L1660-F1789 HydrophobicContact CG-CD1 4.43Å; L1660-F1789 HydrophobicContact CG-CE1 3.66Å; L1660-F1789 HydrophobicContact CG-CZ 4.11Å | ||
| 1661 | S | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -139.3 | -175.7 | 175.1 | 68.4 | 0 | 0 | 0 | 0 | 111 | K1663 D1664 C1680 | S1661-K1663 PolarHBondContact O-N 3.29Å; S1661-K1663 WeakPolarHBondContact OG-CB 3.14Å; S1661-K1663 PolarHBondContact OG-N 2.9Å; S1661-D1664 PolarHBondContact N-OD2 2.88Å; S1661-D1664 WeakPolarHBondContact O-CB 3.19Å; S1661-D1664 PolarHBondContact O-N 3.27Å; S1661-C1680 CarbonylContact C-O 3.57Å; S1661-C1680 WeakPolarHBondContact CA-O 3.47Å; S1661-C1680 WeakPolarHBondContact CB-O 3.17Å | ||
| 1662 | T | 93.3 | Very high | 92.2 | Very high | 73 Ų | 73 | 44.6 Ų | 44.6 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -56 | -20.8 | 170.7 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | D1664 V1665 L1679 C1680 | T1662-D1664 VanDerWaalsContact C-N 3.28Å; T1662-D1664 PolarHBondContact O-N 2.79Å; T1662-V1665 WeakPolarHBondContact O-CB 3.41Å; T1662-V1665 PolarHBondContact O-N 2.9Å; T1662-L1679 WeakPolarHBondContact CG2-O 3.34Å; T1662-C1680 PolarHBondContact N-O 3.45Å |
| 1663 | K | 92.4 | Very high | 92 | Very high | 158 Ų | 158 | 45 Ų | 45 | 69% | 0.687 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -66.2 | -28.1 | 173.5 | -71.7 | 175.6 | 169.9 | 167.7 | 0 | 113.1 | S1661 V1665 P1682 | S1661-K1663 PolarHBondContact O-N 3.29Å; S1661-K1663 WeakPolarHBondContact OG-CB 3.14Å; S1661-K1663 PolarHBondContact OG-N 2.9Å; K1663-V1665 VanDerWaalsContact C-N 3.33Å; K1663-P1682 HydrophobicContact CD-CB 4.38Å; K1663-P1682 HydrophobicContact CD-CG 3.58Å; K1663-P1682 HydrophobicContact CG-CG 3.71Å |
| 1664 | D | 93.1 | Very high | 91.7 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -82.3 | -13.1 | -178.2 | -66.8 | -83.1 | 0 | 0 | 0 | 113.2 | L1660 S1661 T1662 E1666 R1667 L1668 | L1660-D1664 WeakPolarHBondContact CA-OD2 3.43Å; L1660-D1664 HydrophobicContact CB-CB 4.31Å; L1660-D1664 HydrophobicContact CD2-CB 4.05Å; S1661-D1664 PolarHBondContact N-OD2 2.88Å; S1661-D1664 WeakPolarHBondContact O-CB 3.19Å; S1661-D1664 PolarHBondContact O-N 3.27Å; T1662-D1664 VanDerWaalsContact C-N 3.28Å; T1662-D1664 PolarHBondContact O-N 2.79Å; D1664-E1666 VanDerWaalsContact C-N 3.25Å; D1664-E1666 PolarHBondContact O-N 2.98Å; D1664-R1667 PolarHBondContact O-N 2.95Å; D1664-R1667 VanDerWaalsContact O-N 3.13Å; D1664-R1667 IonicContact OD1-CZ 2.8Å; D1664-R1667 IonicContact OD1-NE 2.62Å; D1664-R1667 IonicContact OD1-NH2 3.76Å; D1664-R1667 PolarHBondContact OD1-NH2 2.89Å; D1664-L1668 HydrophobicContact CB-CD1 4.22Å; D1664-L1668 WeakPolarHBondContact O-CG 3.42Å; D1664-L1668 PolarHBondContact O-N 2.65Å |
| 1665 | V | 90.3 | Very high | 91.4 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 15% | 0.152 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -36 | -175.7 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | T1662 K1663 G1669 S1673 L1679 | T1662-V1665 WeakPolarHBondContact O-CB 3.41Å; T1662-V1665 PolarHBondContact O-N 2.9Å; K1663-V1665 VanDerWaalsContact C-N 3.33Å; V1665-G1669 CarbonylContact O-C 3.54Å; V1665-G1669 WeakPolarHBondContact O-CA 3.45Å; V1665-G1669 PolarHBondContact O-N 3.45Å; V1665-S1673 WeakPolarHBondContact CA-OG 3.29Å; V1665-L1679 HydrophobicContact CG2-CD1 4.27Å |
| 1666 | E | 87.5 | Confident | 91 | Very high | 184 Ų | 184 | 51.7 Ų | 51.7 | 86% | 0.86 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.9 | -42.2 | 177.2 | -170.1 | 175.9 | -175.8 | 0 | 0 | 111.6 | D1664 | D1664-E1666 VanDerWaalsContact C-N 3.25Å; D1664-E1666 PolarHBondContact O-N 2.98Å |
| 1667 | R | 90.9 | Very high | 90.7 | Very high | 128 Ų | 128 | 51.5 Ų | 51.5 | 48% | 0.483 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 177.4 | 177.1 | 178.4 | 61 | 81.1 | -0.1 | 112.2 | L1660 D1664 P1788 | L1660-R1667 VanDerWaalsContact CD2-NH2 3.35Å; D1664-R1667 PolarHBondContact O-N 2.95Å; D1664-R1667 VanDerWaalsContact O-N 3.13Å; D1664-R1667 IonicContact OD1-CZ 2.8Å; D1664-R1667 IonicContact OD1-NE 2.62Å; D1664-R1667 IonicContact OD1-NH2 3.76Å; D1664-R1667 PolarHBondContact OD1-NH2 2.89Å; R1667-P1788 PolarHBondContact NH1-O 3.35Å |
| 1668 | L | 88.5 | Confident | 90.3 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -79 | -33.6 | -176.8 | -67.2 | 172.9 | 0 | 0 | 0 | 112.2 | L1660 D1664 M1672 S1673 L1679 P1788 | L1660-L1668 HydrophobicContact CD1-CD1 4.28Å; D1664-L1668 HydrophobicContact CB-CD1 4.22Å; D1664-L1668 WeakPolarHBondContact O-CG 3.42Å; D1664-L1668 PolarHBondContact O-N 2.65Å; L1668-M1672 HydrophobicContact CB-CB 4.42Å; L1668-M1672 WeakPolarHBondContact O-CB 2.89Å; L1668-M1672 WeakPolarHBondContact O-CG 3.18Å; L1668-S1673 WeakPolarHBondContact CB-OG 3.42Å; L1668-L1679 HydrophobicContact CD1-CD1 4.45Å; L1668-P1788 HydrophobicContact CD1-CB 4.24Å; L1668-P1788 HydrophobicContact CD2-CB 4.07Å; L1668-P1788 WeakPolarHBondContact CD2-O 3.09Å |
| 1669 | G | 87.6 | Confident | 90.2 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | trans | 90.6 | 143.4 | -167 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1665 G1671 M1672 S1673 | V1665-G1669 CarbonylContact O-C 3.54Å; V1665-G1669 WeakPolarHBondContact O-CA 3.45Å; V1665-G1669 PolarHBondContact O-N 3.45Å; G1669-G1671 PolarHBondContact O-N 3.1Å; G1669-M1672 PolarHBondContact O-N 3.4Å; G1669-S1673 WeakPolarHBondContact O-CB 3.48Å; G1669-S1673 PolarHBondContact O-N 2.98Å; G1669-S1673 PolarHBondContact O-OG 3.03Å | ||
| 1670 | H | 85.7 | Confident | 89.9 | Confident | 154 Ų | 154 | 54.7 Ų | 54.7 | 71% | 0.713 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -46 | -173.9 | -78 | -73.9 | 0 | 0 | 0 | 113.5 | S1673 | H1670-S1673 PolarHBondContact O-N 2.92Š|
| 1671 | G | 85.6 | Confident | 89.8 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -39.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1669 S1673 E1674 K1710 P1715 | G1669-G1671 PolarHBondContact O-N 3.1Å; G1671-S1673 PolarHBondContact O-N 2.89Å; G1671-E1674 PolarHBondContact O-N 3.34Å; G1671-K1710 PolarHBondContact O-NZ 2.84Å; G1671-P1715 VanDerWaalsContact CA-CG 3.45Å; G1671-P1715 WeakPolarHBondContact O-CB 3.49Å |
| 1672 | M | 89.6 | Confident | 89.8 | Confident | 36 Ų | 36 | 57.8 Ų | 57.8 | 18% | 0.177 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -28.7 | 175 | -65.7 | -62.7 | -68 | 0 | 0 | 111.4 | L1668 G1669 E1674 L1707 K1710 R1711 F1719 W1786 | L1668-M1672 HydrophobicContact CB-CB 4.42Å; L1668-M1672 WeakPolarHBondContact O-CB 2.89Å; L1668-M1672 WeakPolarHBondContact O-CG 3.18Å; G1669-M1672 PolarHBondContact O-N 3.4Å; M1672-E1674 VanDerWaalsContact C-N 3.31Å; M1672-E1674 PolarHBondContact O-N 2.89Å; M1672-L1707 HydrophobicContact CE-CD1 3.66Å; M1672-L1707 HydrophobicContact SD-CD1 4.25Å; M1672-K1710 HydrophobicContact CE-CB 4.36Å; M1672-K1710 WeakPolarHBondContact O-CE 3.45Å; M1672-K1710 PolarHBondContact O-NZ 2.83Å; M1672-K1710 HydrophobicContact SD-CB 3.68Å; M1672-R1711 HydrophobicContact SD-CG 4.14Å; M1672-F1719 VanDerWaalsContact O-CE1 3.22Å; M1672-F1719 WeakPolarHBondContact O-CE1 3.21Å; M1672-W1786 HydrophobicContact CE-CD2 3.84Å; M1672-W1786 HydrophobicContact CE-CE3 3.33Å; M1672-W1786 HydrophobicContact CE-CH2 3.95Å; M1672-W1786 HydrophobicContact CE-CZ2 4.42Å; M1672-W1786 HydrophobicContact CE-CZ3 3.37Å |
| 1673 | S | 92.2 | Very high | 89.9 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -3.4 | -179 | -55 | 0 | 0 | 0 | 0 | 114.9 | V1665 L1668 G1669 H1670 G1671 V1675 | V1665-S1673 WeakPolarHBondContact CA-OG 3.29Å; L1668-S1673 WeakPolarHBondContact CB-OG 3.42Å; G1669-S1673 WeakPolarHBondContact O-CB 3.48Å; G1669-S1673 PolarHBondContact O-N 2.98Å; G1669-S1673 PolarHBondContact O-OG 3.03Å; H1670-S1673 PolarHBondContact O-N 2.92Å; G1671-S1673 PolarHBondContact O-N 2.89Å; S1673-V1675 PolarHBondContact O-N 3.26Å; S1673-V1675 VanDerWaalsContact O-N 3.17Å |
| 1674 | E | 90.1 | Very high | 90 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | trans | -64.4 | 116.2 | 179 | -76.6 | -62.4 | 145.5 | 0 | 0 | 112.1 | G1671 M1672 R1676 K1710 P1715 P1717 G1718 | G1671-E1674 PolarHBondContact O-N 3.34Å; M1672-E1674 VanDerWaalsContact C-N 3.31Å; M1672-E1674 PolarHBondContact O-N 2.89Å; E1674-R1676 IonicContact OE2-CZ 3.24Å; E1674-R1676 IonicContact OE2-NH1 2.69Å; E1674-R1676 PolarHBondContact OE2-NH1 3.24Å; E1674-R1676 IonicContact OE2-NH2 3.33Å; E1674-R1676 PolarHBondContact OE2-NH2 3.46Å; E1674-R1676 VanDerWaalsContact OE2-NH2 3.11Å; E1674-K1710 PolarHBondContact O-NZ 2.87Å; E1674-P1715 HydrophobicContact CG-CB 4.49Å; E1674-P1715 HydrophobicContact CG-CG 3.98Å; E1674-P1717 WeakPolarHBondContact O-CA 3.32Å; E1674-G1718 PolarHBondContact O-N 3.18Å | ||
| 1675 | V | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -148 | 156.4 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | S1673 P1677 L1678 L1679 F1719 | S1673-V1675 PolarHBondContact O-N 3.26Å; S1673-V1675 VanDerWaalsContact O-N 3.17Å; V1675-P1677 CarbonylContact C-O 3.54Å; V1675-P1677 VanDerWaalsContact C-O 3.28Å; V1675-P1677 WeakPolarHBondContact CG1-O 3.34Å; V1675-P1677 CarbonylContact O-C 3.28Å; V1675-L1678 WeakPolarHBondContact O-CA 3.36Å; V1675-L1678 PolarHBondContact O-N 3.49Å; V1675-L1679 HydrophobicContact CG1-CD2 4.07Å; V1675-L1679 HydrophobicContact CG1-CG 3.86Å; V1675-F1719 HydrophobicContact CB-CD2 4.16Å; V1675-F1719 HydrophobicContact CB-CE1 4.17Å; V1675-F1719 HydrophobicContact CB-CE2 3.79Å; V1675-F1719 HydrophobicContact CB-CZ 3.79Å; V1675-F1719 HydrophobicContact CG1-CD2 4.4Å; V1675-F1719 HydrophobicContact CG1-CE2 3.63Å; V1675-F1719 HydrophobicContact CG1-CZ 3.72Å; V1675-F1719 HydrophobicContact CG2-CD2 4.13Å; V1675-F1719 HydrophobicContact CG2-CE2 4.18Å | ||
| 1676 | R | 85.4 | Confident | 90.4 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -131.7 | 115 | 176.6 | -69.2 | -64.8 | 178.3 | -77 | -2.9 | 109.2 | E1674 P1717 | E1674-R1676 IonicContact OE2-CZ 3.24Å; E1674-R1676 IonicContact OE2-NH1 2.69Å; E1674-R1676 PolarHBondContact OE2-NH1 3.24Å; E1674-R1676 IonicContact OE2-NH2 3.33Å; E1674-R1676 PolarHBondContact OE2-NH2 3.46Å; E1674-R1676 VanDerWaalsContact OE2-NH2 3.11Å; R1676-P1717 HydrophobicContact CB-CB 4.26Å; R1676-P1717 HydrophobicContact CG-CB 3.64Å; R1676-P1717 HydrophobicContact CG-CG 4.05Å |
| 1677 | P | 88 | Confident | 90.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | cis | -62.6 | 152.5 | 3.3 | -22 | 34.8 | 0 | 0 | 0 | 113.1 | E1607 H1629 A1631 H1657 V1675 | E1607-P1677 HydrophobicContact CG-CG 4.25Å; H1629-P1677 WeakPolarHBondContact ND1-CD 3.31Å; H1629-P1677 WeakPolarHBondContact O-CG 3.38Å; A1631-P1677 HydrophobicContact CB-CB 3.75Å; A1631-P1677 HydrophobicContact CB-CG 4.07Å; H1657-P1677 PolarHBondContact CE1-O 3.31Å; H1657-P1677 VanDerWaalsContact CE1-O 3.3Å; V1675-P1677 CarbonylContact C-O 3.54Å; V1675-P1677 VanDerWaalsContact C-O 3.28Å; V1675-P1677 WeakPolarHBondContact CG1-O 3.34Å; V1675-P1677 CarbonylContact O-C 3.28Å |
| 1678 | L | 87.4 | Confident | 91.1 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 42% | 0.424 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -58.9 | 151 | 176.6 | -77.7 | 167.4 | 0 | 0 | 0 | 110.7 | V1675 C1680 | V1675-L1678 WeakPolarHBondContact O-CA 3.36Å; V1675-L1678 PolarHBondContact O-N 3.49Å; L1678-C1680 PolarHBondContact O-N 2.92Å; L1678-C1680 VanDerWaalsContact O-N 3.1Å; L1678-C1680 PolarHBondContact O-SG 3.05Å |
| 1679 | L | 91.1 | Very high | 91.4 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -54.1 | 121.2 | 167.3 | -69.4 | -177.6 | 0 | 0 | 0 | 109 | L1660 T1662 V1665 L1668 V1675 F1719 | L1660-L1679 HydrophobicContact CB-CD1 4.18Å; L1660-L1679 HydrophobicContact CB-CD2 3.86Å; T1662-L1679 WeakPolarHBondContact CG2-O 3.34Å; V1665-L1679 HydrophobicContact CG2-CD1 4.27Å; L1668-L1679 HydrophobicContact CD1-CD1 4.45Å; V1675-L1679 HydrophobicContact CG1-CD2 4.07Å; V1675-L1679 HydrophobicContact CG1-CG 3.86Å; L1679-F1719 HydrophobicContact CD1-CE2 4.49Å; L1679-F1719 HydrophobicContact CD1-CZ 4.44Å; L1679-F1719 HydrophobicContact CD2-CE2 4.11Å; L1679-F1719 HydrophobicContact CG-CE2 4.42Å |
| 1680 | C | 89.2 | Confident | 91.8 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | trans | -89.9 | 175.8 | -173.1 | -67.2 | 0 | 0 | 0 | 0 | 111.1 | R1632 S1661 T1662 L1678 D1684 | R1632-C1680 VanDerWaalsContact CG-SG 3.57Å; S1661-C1680 CarbonylContact C-O 3.57Å; S1661-C1680 WeakPolarHBondContact CA-O 3.47Å; S1661-C1680 WeakPolarHBondContact CB-O 3.17Å; T1662-C1680 PolarHBondContact N-O 3.45Å; L1678-C1680 PolarHBondContact O-N 2.92Å; L1678-C1680 VanDerWaalsContact O-N 3.1Å; L1678-C1680 PolarHBondContact O-SG 3.05Å; C1680-D1684 HydrophobicContact CB-CB 3.52Å; C1680-D1684 WeakPolarHBondContact CB-OD2 3.39Å | ||
| 1681 | S | 93.5 | Very high | 92.3 | Very high | 38 Ų | 38 | 41.6 Ų | 41.6 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | trans | -66 | 159.1 | -178.8 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | E1683 D1684 Q1685 | S1681-E1683 PolarHBondContact O-N 2.83Å; S1681-E1683 PolarHBondContact OG-N 3.06Å; S1681-D1684 WeakPolarHBondContact CB-OD2 3.5Å; S1681-D1684 PolarHBondContact N-OD2 2.98Å; S1681-D1684 WeakPolarHBondContact O-CB 3.28Å; S1681-D1684 PolarHBondContact O-N 2.99Å; S1681-D1684 PolarHBondContact OG-N 3.11Å; S1681-D1684 PolarHBondContact OG-OD2 3.2Å; S1681-Q1685 PolarHBondContact O-N 3.14Å | ||
| 1682 | P | 94 | Very high | 92.8 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.5 | -30.1 | 170 | -26.6 | 34.4 | 0 | 0 | 0 | 113.4 | K1663 Q1685 E1686 | K1663-P1682 HydrophobicContact CD-CB 4.38Å; K1663-P1682 HydrophobicContact CD-CG 3.58Å; K1663-P1682 HydrophobicContact CG-CG 3.71Å; P1682-Q1685 PolarHBondContact O-N 2.9Å; P1682-E1686 WeakPolarHBondContact O-CB 3.47Å; P1682-E1686 PolarHBondContact O-N 3.3Å |
| 1683 | E | 95 | Very high | 93 | Very high | 112 Ų | 112 | 44.8 Ų | 44.8 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 174.8 | -173.7 | -175.5 | 172.5 | 0 | 0 | 111.8 | K1633 S1681 A1687 | K1633-E1683 HydrophobicContact CD-CG 4.2Å; K1633-E1683 IonicContact NZ-OE1 3.95Å; K1633-E1683 PolarHBondContact NZ-OE1 3.45Å; S1681-E1683 PolarHBondContact O-N 2.83Å; S1681-E1683 PolarHBondContact OG-N 3.06Å; E1683-A1687 WeakPolarHBondContact O-CB 3.4Å; E1683-A1687 PolarHBondContact O-N 3.01Å |
| 1684 | D | 95 | Very high | 93.1 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 173.6 | -65 | -65 | 0 | 0 | 0 | 111.3 | K1633 C1680 S1681 E1686 A1687 L1688 | K1633-D1684 WeakPolarHBondContact CB-OD1 3.28Å; K1633-D1684 PolarHBondContact N-OD1 2.79Å; C1680-D1684 HydrophobicContact CB-CB 3.52Å; C1680-D1684 WeakPolarHBondContact CB-OD2 3.39Å; S1681-D1684 WeakPolarHBondContact CB-OD2 3.5Å; S1681-D1684 PolarHBondContact N-OD2 2.98Å; S1681-D1684 WeakPolarHBondContact O-CB 3.28Å; S1681-D1684 PolarHBondContact O-N 2.99Å; S1681-D1684 PolarHBondContact OG-N 3.11Å; S1681-D1684 PolarHBondContact OG-OD2 3.2Å; D1684-E1686 PolarHBondContact O-N 3.27Å; D1684-A1687 WeakPolarHBondContact O-CB 3.49Å; D1684-A1687 PolarHBondContact O-N 3.13Å; D1684-L1688 WeakPolarHBondContact O-CG 3.09Å; D1684-L1688 PolarHBondContact O-N 2.93Å |
| 1685 | Q | 95.8 | Very high | 93.5 | Very high | 39 Ų | 39 | 45 Ų | 45 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.2 | 179.7 | -177.6 | 57.4 | 0 | 0 | 111.2 | L1658 F1659 L1660 S1681 P1682 L1688 W1689 | L1658-Q1685 WeakPolarHBondContact O-CG 3.29Å; L1658-Q1685 PolarHBondContact O-NE2 2.73Å; F1659-Q1685 VanDerWaalsContact C-NE2 3.25Å; L1660-Q1685 PolarHBondContact O-NE2 3.34Å; S1681-Q1685 PolarHBondContact O-N 3.14Å; P1682-Q1685 PolarHBondContact O-N 2.9Å; Q1685-L1688 WeakPolarHBondContact O-CB 3.43Å; Q1685-L1688 PolarHBondContact O-N 2.74Å; Q1685-W1689 VanDerWaalsContact O-CD1 3.25Å; Q1685-W1689 PolarHBondContact O-N 3.39Å |
| 1686 | E | 95.1 | Very high | 93.8 | Very high | 120 Ų | 120 | 46.3 Ų | 46.3 | 56% | 0.561 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -62 | -42.5 | 176.1 | -172.5 | 165.8 | -148.6 | 0 | 0 | 111.4 | P1682 D1684 L1688 W1689 E1690 | P1682-E1686 WeakPolarHBondContact O-CB 3.47Å; P1682-E1686 PolarHBondContact O-N 3.3Å; D1684-E1686 PolarHBondContact O-N 3.27Å; E1686-L1688 VanDerWaalsContact C-N 3.29Å; E1686-L1688 PolarHBondContact O-N 2.89Å; E1686-W1689 PolarHBondContact O-N 2.97Å; E1686-E1690 HydrophobicContact CG-CG 4.39Å; E1686-E1690 WeakPolarHBondContact O-CG 3.47Å; E1686-E1690 PolarHBondContact O-N 3.4Å |
| 1687 | A | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -33.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1633 I1636 E1683 D1684 N1691 | K1633-A1687 HydrophobicContact CB-CB 3.71Å; K1633-A1687 HydrophobicContact CD-CB 3.97Å; K1633-A1687 HydrophobicContact CG-CB 3.62Å; I1636-A1687 HydrophobicContact CG2-CB 4.44Å; E1683-A1687 WeakPolarHBondContact O-CB 3.4Å; E1683-A1687 PolarHBondContact O-N 3.01Å; D1684-A1687 WeakPolarHBondContact O-CB 3.49Å; D1684-A1687 PolarHBondContact O-N 3.13Å; A1687-N1691 WeakPolarHBondContact O-CB 3.45Å; A1687-N1691 PolarHBondContact O-N 2.98Å; A1687-N1691 VanDerWaalsContact O-N 3.15Å; A1687-N1691 PolarHBondContact O-ND2 3.45Å |
| 1688 | L | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 172.9 | -66.3 | 171.6 | 0 | 0 | 0 | 111.5 | V1630 I1636 V1653 H1657 L1658 D1684 Q1685 E1686 N1691 I1692 I1695 | V1630-L1688 HydrophobicContact CG1-CD2 4.04Å; I1636-L1688 HydrophobicContact CB-CD2 4.18Å; I1636-L1688 HydrophobicContact CG1-CD2 4.48Å; I1636-L1688 HydrophobicContact CG2-CD2 4.34Å; V1653-L1688 HydrophobicContact CG2-CD1 3.89Å; V1653-L1688 HydrophobicContact CG2-CD2 4.18Å; V1653-L1688 HydrophobicContact CG2-CG 4.49Å; H1657-L1688 HydrophobicContact CB-CD1 3.92Å; L1658-L1688 HydrophobicContact CD2-CB 3.87Å; L1658-L1688 HydrophobicContact CD2-CD1 4.5Å; D1684-L1688 WeakPolarHBondContact O-CG 3.09Å; D1684-L1688 PolarHBondContact O-N 2.93Å; Q1685-L1688 WeakPolarHBondContact O-CB 3.43Å; Q1685-L1688 PolarHBondContact O-N 2.74Å; E1686-L1688 VanDerWaalsContact C-N 3.29Å; E1686-L1688 PolarHBondContact O-N 2.89Å; L1688-N1691 CarbonylContact O-C 3.24Å; L1688-N1691 PolarHBondContact O-N 3.38Å; L1688-I1692 PolarHBondContact O-N 3.31Å; L1688-I1692 VanDerWaalsContact O-N 3.1Å; L1688-I1695 HydrophobicContact CB-CD1 4.44Å; L1688-I1695 HydrophobicContact CD2-CD1 4.3Å |
| 1689 | W | 96.1 | Very high | 95.3 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.3 | -42.6 | 177.2 | -79.3 | 108.5 | 0 | 0 | 0 | 112.9 | L1658 F1659 Q1685 E1686 N1691 I1692 A1732 R1737 L1738 | L1658-W1689 HydrophobicContact CB-CZ2 3.87Å; L1658-W1689 HydrophobicContact CD1-CZ2 4.41Å; L1658-W1689 HydrophobicContact CD2-CD2 4.29Å; L1658-W1689 HydrophobicContact CD2-CZ2 4.44Å; L1658-W1689 HydrophobicContact CG-CZ2 4.48Å; L1658-W1689 PolarHBondContact O-NE1 3.26Å; F1659-W1689 HydrophobicContact CE1-CZ2 4.07Å; F1659-W1689 HydrophobicContact CE2-CZ2 4.43Å; F1659-W1689 HydrophobicContact CZ-CH2 4.19Å; F1659-W1689 AromaticContact CZ-CZ2 3.95Å; F1659-W1689 HydrophobicContact CZ-CZ2 3.95Å; Q1685-W1689 VanDerWaalsContact O-CD1 3.25Å; Q1685-W1689 PolarHBondContact O-N 3.39Å; E1686-W1689 PolarHBondContact O-N 2.97Å; W1689-N1691 PolarHBondContact O-N 3.39Å; W1689-I1692 HydrophobicContact CE3-CD1 4.46Å; W1689-I1692 WeakPolarHBondContact O-CB 3.38Å; W1689-I1692 PolarHBondContact O-N 3.39Å; W1689-A1732 HydrophobicContact CH2-CB 3.82Å; W1689-R1737 HydrophobicContact CE3-CB 4.5Å; W1689-R1737 HydrophobicContact CH2-CB 4.34Å; W1689-R1737 HydrophobicContact CZ3-CB 3.98Å; W1689-L1738 HydrophobicContact CH2-CD1 4.23Å; W1689-L1738 HydrophobicContact CH2-CG 4.13Å; W1689-L1738 HydrophobicContact CZ3-CD1 4.32Å; W1689-L1738 HydrophobicContact CZ3-CD2 3.87Å; W1689-L1738 HydrophobicContact CZ3-CG 3.8Å |
| 1690 | E | 95.1 | Very high | 95.5 | Very high | 139 Ų | 139 | 37.7 Ų | 37.7 | 65% | 0.65 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -62 | -28.3 | 174.7 | -72.9 | -176.4 | 159.1 | 0 | 0 | 112.7 | E1686 | E1686-E1690 HydrophobicContact CG-CG 4.39Å; E1686-E1690 WeakPolarHBondContact O-CG 3.47Å; E1686-E1690 PolarHBondContact O-N 3.4Å |
| 1691 | N | 95.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 24.4 | -178.8 | -62.3 | -88.3 | 0 | 0 | 0 | 112.2 | I1636 R1640 A1687 L1688 W1689 D1693 Y1694 I1695 | I1636-N1691 HydrophobicContact CG1-CB 3.66Å; R1640-N1691 VanDerWaalsContact CD-OD1 3.28Å; R1640-N1691 WeakPolarHBondContact CD-OD1 3.48Å; R1640-N1691 PolarHBondContact NH1-OD1 3.04Å; R1640-N1691 VanDerWaalsContact NH1-OD1 3.15Å; A1687-N1691 WeakPolarHBondContact O-CB 3.45Å; A1687-N1691 PolarHBondContact O-N 2.98Å; A1687-N1691 VanDerWaalsContact O-N 3.15Å; A1687-N1691 PolarHBondContact O-ND2 3.45Å; L1688-N1691 CarbonylContact O-C 3.24Å; L1688-N1691 PolarHBondContact O-N 3.38Å; W1689-N1691 PolarHBondContact O-N 3.39Å; N1691-D1693 PolarHBondContact O-N 3.28Å; N1691-D1693 VanDerWaalsContact O-N 3.14Å; N1691-Y1694 HydrophobicContact CB-CD2 4.22Å; N1691-Y1694 PolarHBondContact O-N 3.09Å; N1691-I1695 PolarHBondContact O-N 2.75Å |
| 1692 | I | 95.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 11% | 0.108 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -56.8 | -31.3 | -178.5 | -160.9 | 64.7 | 0 | 0 | 0 | 112.6 | L1658 L1688 W1689 Y1694 I1695 F1698 L1738 K1746 | L1658-I1692 HydrophobicContact CD2-CD1 4.47Å; L1688-I1692 PolarHBondContact O-N 3.31Å; L1688-I1692 VanDerWaalsContact O-N 3.1Å; W1689-I1692 HydrophobicContact CE3-CD1 4.46Å; W1689-I1692 WeakPolarHBondContact O-CB 3.38Å; W1689-I1692 PolarHBondContact O-N 3.39Å; I1692-Y1694 VanDerWaalsContact C-N 3.28Å; I1692-Y1694 PolarHBondContact O-N 3.09Å; I1692-I1695 HydrophobicContact CD1-CD1 4.12Å; I1692-I1695 PolarHBondContact O-N 3Å; I1692-F1698 HydrophobicContact CD1-CE1 3.92Å; I1692-F1698 HydrophobicContact CD1-CZ 4.03Å; I1692-L1738 HydrophobicContact CD1-CD2 4.48Å; I1692-L1738 HydrophobicContact CG1-CD2 3.93Å; I1692-K1746 WeakPolarHBondContact O-CE 3.43Å; I1692-K1746 PolarHBondContact O-NZ 3.48Å |
| 1693 | D | 94.2 | Very high | 95.7 | Very high | 109 Ų | 109 | 34.1 Ų | 34.1 | 58% | 0.583 | 16% | 0.163 | S | C | * | . | G | 310 helix | trans | -66.1 | -28.2 | 175.9 | -78.4 | -39.3 | 0 | 0 | 0 | 113.7 | N1691 I1695 R1745 | N1691-D1693 PolarHBondContact O-N 3.28Å; N1691-D1693 VanDerWaalsContact O-N 3.14Å; D1693-I1695 VanDerWaalsContact C-N 3.34Å; D1693-R1745 IonicContact OD1-NH2 2.86Å; D1693-R1745 PolarHBondContact OD1-NH2 2.91Å |
| 1694 | Y | 95.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 28.8 Ų | 28.8 | 28% | 0.275 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -87.1 | -3.4 | 176.4 | -62.9 | -81.8 | 0 | 0 | 0 | 113 | R1640 K1643 E1644 N1691 I1692 | R1640-Y1694 HydrophobicContact CB-CD1 4.14Å; R1640-Y1694 HydrophobicContact CB-CD2 4.33Å; R1640-Y1694 HydrophobicContact CB-CG 4.04Å; R1640-Y1694 HydrophobicContact CG-CD1 3.91Å; R1640-Y1694 HydrophobicContact CG-CD2 4.01Å; R1640-Y1694 HydrophobicContact CG-CE1 3.81Å; R1640-Y1694 HydrophobicContact CG-CE2 3.92Å; R1640-Y1694 HydrophobicContact CG-CG 4.01Å; K1643-Y1694 HydrophobicContact CD-CD1 4.45Å; K1643-Y1694 PolarHBondContact NZ-O 3.4Å; E1644-Y1694 HydrophobicContact CG-CE1 4.13Å; E1644-Y1694 PolarHBondContact OE1-OH 3.33Å; N1691-Y1694 HydrophobicContact CB-CD2 4.22Å; N1691-Y1694 PolarHBondContact O-N 3.09Å; I1692-Y1694 VanDerWaalsContact C-N 3.28Å; I1692-Y1694 PolarHBondContact O-N 3.09Å |
| 1695 | I | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -89.7 | 126.8 | 172.4 | -65.9 | 170 | 0 | 0 | 0 | 108.7 | I1636 V1653 L1688 N1691 I1692 D1693 K1746 | I1636-I1695 HydrophobicContact CD1-CD1 4.37Å; I1636-I1695 HydrophobicContact CD1-CG1 3.73Å; V1653-I1695 HydrophobicContact CB-CD1 3.94Å; V1653-I1695 HydrophobicContact CB-CG2 3.97Å; V1653-I1695 HydrophobicContact CG1-CD1 3.98Å; V1653-I1695 HydrophobicContact CG1-CG2 3.6Å; V1653-I1695 HydrophobicContact CG2-CD1 4.3Å; L1688-I1695 HydrophobicContact CB-CD1 4.44Å; L1688-I1695 HydrophobicContact CD2-CD1 4.3Å; N1691-I1695 PolarHBondContact O-N 2.75Å; I1692-I1695 HydrophobicContact CD1-CD1 4.12Å; I1692-I1695 PolarHBondContact O-N 3Å; D1693-I1695 VanDerWaalsContact C-N 3.34Å; I1695-K1746 PolarHBondContact O-NZ 3.47Å | ||
| 1696 | D | 97.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 14% | 0.144 | 13% | 0.13 | C | C | . | . | trans | -90.8 | -36.6 | -176.4 | -50.2 | -66.1 | 0 | 0 | 0 | 112.7 | K1643 T1650 C1651 K1746 N1750 I1754 | K1643-D1696 WeakPolarHBondContact CE-OD2 3.34Å; K1643-D1696 IonicContact NZ-OD1 2.83Å; K1643-D1696 PolarHBondContact NZ-OD1 2.62Å; K1643-D1696 IonicContact NZ-OD2 2.67Å; K1643-D1696 PolarHBondContact NZ-OD2 2.57Å; T1650-D1696 WeakPolarHBondContact CA-OD2 3.4Å; T1650-D1696 WeakPolarHBondContact CB-OD2 3.34Å; C1651-D1696 PolarHBondContact N-OD2 2.95Å; C1651-D1696 PolarHBondContact O-N 3.4Å; C1651-D1696 VanDerWaalsContact O-N 3.13Å; D1696-K1746 VanDerWaalsContact O-CA 3.32Å; D1696-K1746 WeakPolarHBondContact O-CA 3.28Å; D1696-N1750 WeakPolarHBondContact O-CB 3.27Å; D1696-N1750 PolarHBondContact O-ND2 3.15Å; D1696-I1754 HydrophobicContact CB-CD1 3.7Å | ||
| 1697 | V | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.9 | -169 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | V1485 C1651 E1652 V1653 A1699 K1746 N1750 P1751 I1754 | V1485-V1697 HydrophobicContact CG2-CG1 3.58Å; C1651-V1697 PolarHBondContact O-N 3.46Å; C1651-V1697 VanDerWaalsContact O-N 3.11Å; E1652-V1697 CarbonylContact C-O 3.55Å; E1652-V1697 WeakPolarHBondContact CA-O 3.34Å; E1652-V1697 HydrophobicContact CB-CB 3.85Å; E1652-V1697 HydrophobicContact CB-CG1 4.06Å; E1652-V1697 WeakPolarHBondContact CB-O 3.22Å; V1653-V1697 PolarHBondContact N-O 2.74Å; V1697-A1699 HydrophobicContact CG1-CB 4.35Å; V1697-K1746 VanDerWaalsContact CA-O 3.28Å; V1697-K1746 WeakPolarHBondContact CA-O 3.19Å; V1697-N1750 HydrophobicContact CG2-CB 4.41Å; V1697-P1751 HydrophobicContact CG1-CG 3.9Å; V1697-P1751 HydrophobicContact CG2-CG 4.04Å; V1697-I1754 HydrophobicContact CG2-CD1 3.74Å |
| 1698 | F | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.9 | 159.4 | -62.3 | -53.4 | 0 | 0 | 0 | 108.6 | V1653 L1658 I1692 I1725 L1729 L1738 K1746 F1747 | V1653-F1698 HydrophobicContact CG1-CD1 3.55Å; V1653-F1698 HydrophobicContact CG1-CE1 3.76Å; L1658-F1698 HydrophobicContact CD1-CD1 4.14Å; L1658-F1698 HydrophobicContact CD1-CE1 3.7Å; I1692-F1698 HydrophobicContact CD1-CE1 3.92Å; I1692-F1698 HydrophobicContact CD1-CZ 4.03Å; F1698-I1725 HydrophobicContact CB-CD1 4.05Å; F1698-L1729 HydrophobicContact CB-CD1 4.44Å; F1698-L1729 HydrophobicContact CD1-CD2 4.37Å; F1698-L1729 HydrophobicContact CD2-CD1 3.73Å; F1698-L1729 HydrophobicContact CD2-CD2 3.98Å; F1698-L1729 HydrophobicContact CE1-CD2 4.27Å; F1698-L1729 HydrophobicContact CE2-CD1 4.24Å; F1698-L1729 HydrophobicContact CE2-CD2 3.85Å; F1698-L1729 HydrophobicContact CG-CD1 4.2Å; F1698-L1729 HydrophobicContact CG-CD2 4.25Å; F1698-L1729 HydrophobicContact CZ-CD2 4.01Å; F1698-L1738 HydrophobicContact CE2-CD1 4.41Å; F1698-L1738 HydrophobicContact CZ-CD1 4.17Å; F1698-L1738 HydrophobicContact CZ-CD2 4.4Å; F1698-K1746 HydrophobicContact CD2-CB 3.69Å; F1698-K1746 HydrophobicContact CE1-CD 4.39Å; F1698-K1746 HydrophobicContact CE2-CB 3.67Å; F1698-K1746 HydrophobicContact CE2-CD 3.74Å; F1698-K1746 HydrophobicContact CE2-CG 4.37Å; F1698-K1746 HydrophobicContact CG-CB 4.38Å; F1698-K1746 HydrophobicContact CZ-CB 4.34Å; F1698-K1746 HydrophobicContact CZ-CD 3.67Å; F1698-K1746 PolarHBondContact N-O 3.36Å; F1698-K1746 VanDerWaalsContact N-O 3.13Å; F1698-F1747 HydrophobicContact CB-CD2 4.15Å; F1698-F1747 HydrophobicContact CB-CG 4.47Å; F1698-F1747 HydrophobicContact CD2-CB 4.28Å; F1698-F1747 WeakPolarHBondContact O-CD2 3.48Å |
| 1699 | A | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -134.9 | 141.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V1485 H1486 E1652 V1653 C1654 P1655 V1697 | V1485-A1699 HydrophobicContact CG2-CB 3.77Å; H1486-A1699 HydrophobicContact CB-CB 3.84Å; E1652-A1699 HydrophobicContact CB-CB 3.9Å; E1652-A1699 VanDerWaalsContact CD-CB 3.48Å; E1652-A1699 HydrophobicContact CG-CB 3.94Å; E1652-A1699 WeakPolarHBondContact OE2-CB 3.35Å; V1653-A1699 PolarHBondContact O-N 2.68Å; C1654-A1699 VanDerWaalsContact CA-O 3.25Å; C1654-A1699 WeakPolarHBondContact CA-O 3.37Å; C1654-A1699 PolarHBondContact SG-O 2.85Å; P1655-A1699 WeakPolarHBondContact CD-O 3.34Å; V1697-A1699 HydrophobicContact CG1-CB 4.35Å | ||
| 1700 | T | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | trans | -82 | -24.1 | -169.9 | 59 | 0 | 0 | 0 | 0 | 114.9 | D1484 H1656 H1702 I1725 | D1484-T1700 PolarHBondContact OD1-N 3.3Å; D1484-T1700 VanDerWaalsContact OD1-N 3.16Å; D1484-T1700 VanDerWaalsContact OD2-CB 3.26Å; D1484-T1700 WeakPolarHBondContact OD2-CB 3.37Å; D1484-T1700 WeakPolarHBondContact OD2-CG2 3.42Å; D1484-T1700 PolarHBondContact OD2-N 2.96Å; D1484-T1700 PolarHBondContact OD2-OG1 2.83Å; H1656-T1700 PolarHBondContact CE1-O 2.84Å; T1700-H1702 PolarHBondContact O-N 2.95Å; T1700-H1702 WeakPolarHBondContact OG1-CB 3.43Å; T1700-H1702 PolarHBondContact OG1-N 2.89Å; T1700-I1725 HydrophobicContact CG2-CB 3.54Å; T1700-I1725 HydrophobicContact CG2-CD1 3.43Å; T1700-I1725 VanDerWaalsContact CG2-CD1 3.43Å; T1700-I1725 HydrophobicContact CG2-CG1 4.04Å; T1700-I1725 HydrophobicContact CG2-CG2 3.74Å | ||
| 1701 | D | 93.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 30.5 Ų | 30.5 | 6% | 0.059 | 16% | 0.155 | C | C | . | . | trans | 48.7 | 45.6 | -161.7 | -174.9 | 36.9 | 0 | 0 | 0 | 110.3 | H1486 H1488 C1654 A1703 | H1486-D1701 IonicContact CD2-OD1 3.66Å; H1486-D1701 PolarHBondContact CD2-OD1 2.71Å; H1486-D1701 IonicContact CE1-OD1 2.92Å; H1486-D1701 IonicContact NE2-OD1 3.55Å; H1486-D1701 PolarHBondContact NE2-OD1 3.08Å; H1486-D1701 WeakPolarHBondContact O-CA 3.05Å; H1486-D1701 PolarHBondContact O-N 3.01Å; H1488-D1701 IonicContact CD2-OD1 2.64Å; H1488-D1701 IonicContact NE2-OD1 3.59Å; H1488-D1701 PolarHBondContact NE2-OD1 3.12Å; C1654-D1701 VanDerWaalsContact SG-CB 3.56Å; D1701-A1703 PolarHBondContact O-N 3.08Å | ||
| 1702 | H | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -61.2 | 109.3 | -175 | 169.4 | 88.9 | 0 | 0 | 0 | 109.9 | H1486 V1487 H1488 E1498 T1700 P1720 G1721 V1722 | H1486-H1702 PolarHBondContact O-N 3.34Å; V1487-H1702 HydrophobicContact CG1-CB 4.24Å; H1488-H1702 VanDerWaalsContact CB-O 3.25Å; H1488-H1702 WeakPolarHBondContact CB-O 3.42Å; H1488-H1702 PolarHBondContact CD2-O 3.35Å; H1488-H1702 PolarHBondContact N-O 3.47Å; E1498-H1702 IonicContact OE2-CE1 3.96Å; E1498-H1702 IonicContact OE2-NE2 2.71Å; E1498-H1702 PolarHBondContact OE2-NE2 3.01Å; T1700-H1702 PolarHBondContact O-N 2.95Å; T1700-H1702 WeakPolarHBondContact OG1-CB 3.43Å; T1700-H1702 PolarHBondContact OG1-N 2.89Å; H1702-P1720 WeakPolarHBondContact ND1-CA 3.47Å; H1702-G1721 PolarHBondContact ND1-N 3.04Å; H1702-V1722 HydrophobicContact CB-CB 3.98Å; H1702-V1722 PolarHBondContact ND1-N 3.28Å |
| 1703 | A | 93 | Very high | 92.9 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | trans | -119 | 95.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | D1701 H1705 F1719 | D1701-A1703 PolarHBondContact O-N 3.08Å; A1703-H1705 VanDerWaalsContact C-N 3.32Å; A1703-H1705 PolarHBondContact O-N 2.89Å; A1703-F1719 PolarHBondContact N-O 2.92Å; A1703-F1719 CarbonylContact O-C 3.52Å; A1703-F1719 VanDerWaalsContact O-C 3.31Å | ||
| 1704 | P | 91.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -83.7 | 64.4 | -167.2 | 30.9 | -34.3 | 0 | 0 | 0 | 112.9 | H1488 R1490 K1497 E1498 | H1488-P1704 VanDerWaalsContact O-CD 3.25Å; H1488-P1704 WeakPolarHBondContact O-CD 3.44Å; H1488-P1704 WeakPolarHBondContact O-CG 3.17Å; R1490-P1704 HydrophobicContact CG-CG 4.1Å; K1497-P1704 WeakPolarHBondContact CB-O 3.45Å; E1498-P1704 HydrophobicContact CB-CB 3.78Å; E1498-P1704 HydrophobicContact CB-CG 3.27Å; E1498-P1704 HydrophobicContact CG-CB 4.21Å; E1498-P1704 HydrophobicContact CG-CG 3.89Å | ||
| 1705 | H | 91.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -73.1 | 141.2 | 172.6 | -59.5 | -66.3 | 0 | 0 | 0 | 110.7 | K1497 A1703 E1709 K1710 P1716 P1717 S1784 W1786 | K1497-H1705 PolarHBondContact NZ-ND1 3.16Å; K1497-H1705 VanDerWaalsContact NZ-ND1 3.15Å; A1703-H1705 VanDerWaalsContact C-N 3.32Å; A1703-H1705 PolarHBondContact O-N 2.89Å; H1705-E1709 IonicContact ND1-OE2 3.5Å; H1705-K1710 HydrophobicContact CB-CD 4.14Å; H1705-K1710 HydrophobicContact CB-CG 3.95Å; H1705-P1716 HydrophobicContact CB-CG 3.89Å; H1705-P1716 WeakPolarHBondContact ND1-CG 3.5Å; H1705-P1717 PolarHBondContact CD2-O 2.99Å; H1705-P1717 PolarHBondContact NE2-O 3.1Å; H1705-S1784 WeakPolarHBondContact O-CB 3.45Å; H1705-W1786 PolarHBondContact O-NE1 3.42Å | ||
| 1706 | T | 90.2 | Very high | 91.9 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 17% | 0.172 | 22% | 0.22 | C | C | . | . | trans | -68.3 | 154.5 | 178.7 | 64.5 | 0 | 0 | 0 | 0 | 111 | A1708 E1709 K1710 | T1706-A1708 PolarHBondContact O-N 3.46Å; T1706-E1709 PolarHBondContact N-OE2 3.22Å; T1706-E1709 PolarHBondContact O-N 3.48Å; T1706-E1709 VanDerWaalsContact O-N 3.09Å; T1706-E1709 WeakPolarHBondContact OG1-CG 3.3Å; T1706-E1709 PolarHBondContact OG1-N 3.2Å; T1706-E1709 PolarHBondContact OG1-OE2 2.89Å; T1706-K1710 PolarHBondContact O-N 3.05Å | ||
| 1707 | L | 88 | Confident | 91.5 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.1 | -33.6 | 176.3 | -172.4 | 64.5 | 0 | 0 | 0 | 112.2 | M1672 K1710 R1711 W1786 | M1672-L1707 HydrophobicContact CE-CD1 3.66Å; M1672-L1707 HydrophobicContact SD-CD1 4.25Å; L1707-K1710 PolarHBondContact O-N 3.23Å; L1707-R1711 WeakPolarHBondContact O-CB 3.48Å; L1707-R1711 WeakPolarHBondContact O-CG 3.39Å; L1707-R1711 PolarHBondContact O-N 2.94Å; L1707-R1711 VanDerWaalsContact O-N 3.1Å; L1707-W1786 HydrophobicContact CB-CG 4.44Å; L1707-W1786 HydrophobicContact CD1-CB 4.06Å; L1707-W1786 HydrophobicContact CD1-CD2 4.32Å; L1707-W1786 HydrophobicContact CD1-CG 3.93Å |
| 1708 | A | 88.6 | Confident | 91.1 | Very high | 77 Ų | 77 | 45 Ų | 45 | 64% | 0.636 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64.9 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1706 R1711 S1712 | T1706-A1708 PolarHBondContact O-N 3.46Å; A1708-R1711 PolarHBondContact O-N 3.35Å; A1708-S1712 PolarHBondContact O-N 2.79Å; A1708-S1712 VanDerWaalsContact O-N 3.17Å |
| 1709 | E | 90.3 | Very high | 90.9 | Very high | 43 Ų | 43 | 45 Ų | 45 | 20% | 0.201 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.3 | -72.9 | 172 | 144.8 | 0 | 0 | 111.5 | H1496 K1497 H1705 T1706 R1711 S1712 P1716 | H1496-E1709 IonicContact NE2-OE1 2.64Å; K1497-E1709 WeakPolarHBondContact CE-OE1 3.47Å; K1497-E1709 IonicContact NZ-OE1 2.7Å; K1497-E1709 PolarHBondContact NZ-OE1 2.9Å; K1497-E1709 IonicContact NZ-OE2 2.8Å; K1497-E1709 PolarHBondContact NZ-OE2 2.7Å; H1705-E1709 IonicContact ND1-OE2 3.5Å; T1706-E1709 PolarHBondContact N-OE2 3.22Å; T1706-E1709 PolarHBondContact O-N 3.48Å; T1706-E1709 VanDerWaalsContact O-N 3.09Å; T1706-E1709 WeakPolarHBondContact OG1-CG 3.3Å; T1706-E1709 PolarHBondContact OG1-N 3.2Å; T1706-E1709 PolarHBondContact OG1-OE2 2.89Å; E1709-R1711 VanDerWaalsContact C-N 3.26Å; E1709-R1711 PolarHBondContact O-N 2.84Å; E1709-S1712 VanDerWaalsContact O-CB 3.3Å; E1709-S1712 WeakPolarHBondContact O-CB 3.43Å; E1709-S1712 PolarHBondContact O-N 2.82Å; E1709-S1712 VanDerWaalsContact O-N 3.16Å; E1709-S1712 PolarHBondContact O-OG 3.36Å; E1709-P1716 HydrophobicContact CB-CG 3.97Å; E1709-P1716 VanDerWaalsContact O-CD 3.27Å; E1709-P1716 WeakPolarHBondContact O-CD 3.46Å |
| 1710 | K | 90.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.8 | -19.1 | 179.5 | -70.8 | -72.5 | -56.8 | 178.3 | 0 | 114.3 | G1671 M1672 E1674 H1705 T1706 L1707 P1715 P1716 W1786 | G1671-K1710 PolarHBondContact O-NZ 2.84Å; M1672-K1710 HydrophobicContact CE-CB 4.36Å; M1672-K1710 WeakPolarHBondContact O-CE 3.45Å; M1672-K1710 PolarHBondContact O-NZ 2.83Å; M1672-K1710 HydrophobicContact SD-CB 3.68Å; E1674-K1710 PolarHBondContact O-NZ 2.87Å; H1705-K1710 HydrophobicContact CB-CD 4.14Å; H1705-K1710 HydrophobicContact CB-CG 3.95Å; T1706-K1710 PolarHBondContact O-N 3.05Å; L1707-K1710 PolarHBondContact O-N 3.23Å; K1710-P1715 WeakPolarHBondContact O-CB 3.44Å; K1710-P1716 HydrophobicContact CD-CG 4.48Å; K1710-P1716 WeakPolarHBondContact CD-O 3.38Å; K1710-P1716 PolarHBondContact NZ-O 2.94Å; K1710-W1786 HydrophobicContact CB-CZ2 4.28Å; K1710-W1786 HydrophobicContact CD-CH2 4.28Å; K1710-W1786 HydrophobicContact CD-CZ2 3.83Å; K1710-W1786 HydrophobicContact CG-CH2 4.22Å; K1710-W1786 HydrophobicContact CG-CZ2 3.46Å; K1710-W1786 VanDerWaalsContact CG-CZ2 3.46Å |
| 1711 | R | 90.3 | Very high | 90.6 | Very high | 184 Ų | 184 | 45.3 Ų | 45.3 | 69% | 0.694 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -0.9 | 172.4 | -69.6 | 178 | 176.8 | 179.8 | -0.2 | 113.7 | M1672 L1707 A1708 E1709 | M1672-R1711 HydrophobicContact SD-CG 4.14Å; L1707-R1711 WeakPolarHBondContact O-CB 3.48Å; L1707-R1711 WeakPolarHBondContact O-CG 3.39Å; L1707-R1711 PolarHBondContact O-N 2.94Å; L1707-R1711 VanDerWaalsContact O-N 3.1Å; A1708-R1711 PolarHBondContact O-N 3.35Å; E1709-R1711 VanDerWaalsContact C-N 3.26Å; E1709-R1711 PolarHBondContact O-N 2.84Å |
| 1712 | S | 90 | Very high | 90.7 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -70.9 | 166.8 | 178.4 | 74.1 | 0 | 0 | 0 | 0 | 112.2 | A1708 E1709 R1714 P1715 | A1708-S1712 PolarHBondContact O-N 2.79Å; A1708-S1712 VanDerWaalsContact O-N 3.17Å; E1709-S1712 VanDerWaalsContact O-CB 3.3Å; E1709-S1712 WeakPolarHBondContact O-CB 3.43Å; E1709-S1712 PolarHBondContact O-N 2.82Å; E1709-S1712 VanDerWaalsContact O-N 3.16Å; E1709-S1712 PolarHBondContact O-OG 3.36Å; S1712-R1714 PolarHBondContact O-N 2.86Å; S1712-R1714 PolarHBondContact OG-N 3.3Å; S1712-R1714 PolarHBondContact OG-O 2.84Å; S1712-P1715 WeakPolarHBondContact O-CD 3.37Å |
| 1713 | E | 86.1 | Confident | 90.6 | Very high | 194 Ų | 194 | 45.7 Ų | 45.7 | 91% | 0.907 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -60 | -23.9 | 175.9 | -67.6 | -173.5 | 169.8 | 0 | 0 | 113.5 | ||
| 1714 | R | 87.2 | Confident | 90.7 | Very high | 226 Ų | 226 | 45.8 Ų | 45.8 | 85% | 0.853 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -126.8 | 73.8 | 177.8 | -64.7 | -174.5 | -174.3 | -177.4 | 2 | 109.8 | S1712 | S1712-R1714 PolarHBondContact O-N 2.86Å; S1712-R1714 PolarHBondContact OG-N 3.3Å; S1712-R1714 PolarHBondContact OG-O 2.84Å |
| 1715 | P | 89.2 | Confident | 90.9 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 127.8 | -173.8 | 22.9 | -26.8 | 0 | 0 | 0 | 110.6 | G1671 E1674 K1710 S1712 | G1671-P1715 VanDerWaalsContact CA-CG 3.45Å; G1671-P1715 WeakPolarHBondContact O-CB 3.49Å; E1674-P1715 HydrophobicContact CG-CB 4.49Å; E1674-P1715 HydrophobicContact CG-CG 3.98Å; K1710-P1715 WeakPolarHBondContact O-CB 3.44Å; S1712-P1715 WeakPolarHBondContact O-CD 3.37Å |
| 1716 | P | 88.9 | Confident | 91.1 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 149.1 | -178.1 | 30.7 | -36 | 0 | 0 | 0 | 111.1 | F1578 H1705 E1709 K1710 | F1578-P1716 HydrophobicContact CD2-CB 4.49Å; F1578-P1716 HydrophobicContact CE2-CB 3.91Å; F1578-P1716 HydrophobicContact CZ-CB 4.02Å; H1705-P1716 HydrophobicContact CB-CG 3.89Å; H1705-P1716 WeakPolarHBondContact ND1-CG 3.5Å; E1709-P1716 HydrophobicContact CB-CG 3.97Å; E1709-P1716 VanDerWaalsContact O-CD 3.27Å; E1709-P1716 WeakPolarHBondContact O-CD 3.46Å; K1710-P1716 HydrophobicContact CD-CG 4.48Å; K1710-P1716 WeakPolarHBondContact CD-O 3.38Å; K1710-P1716 PolarHBondContact NZ-O 2.94Å |
| 1717 | P | 88.9 | Confident | 91.3 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 17% | 0.169 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -77.1 | 135.5 | 179.5 | 30.3 | -33.6 | 0 | 0 | 0 | 112 | F1578 E1674 R1676 H1705 | F1578-P1717 HydrophobicContact CB-CG 4.19Å; F1578-P1717 HydrophobicContact CD2-CG 4.12Å; F1578-P1717 HydrophobicContact CG-CG 4.47Å; E1674-P1717 WeakPolarHBondContact O-CA 3.32Å; R1676-P1717 HydrophobicContact CB-CB 4.26Å; R1676-P1717 HydrophobicContact CG-CB 3.64Å; R1676-P1717 HydrophobicContact CG-CG 4.05Å; H1705-P1717 PolarHBondContact CD2-O 2.99Å; H1705-P1717 PolarHBondContact NE2-O 3.1Å |
| 1718 | G | 90.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | 135.3 | 155.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1674 | E1674-G1718 PolarHBondContact O-N 3.18Š| ||
| 1719 | F | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -123.4 | 141.5 | 178 | -61.9 | -33.6 | 0 | 0 | 0 | 112.9 | H1656 L1660 M1672 V1675 L1679 A1703 G1721 W1786 P1788 | H1656-F1719 HydrophobicContact CB-CD2 3.75Å; H1656-F1719 HydrophobicContact CB-CE2 4.2Å; H1656-F1719 AromaticContact CG-CD2 3.76Å; L1660-F1719 HydrophobicContact CD1-CE2 4.25Å; M1672-F1719 VanDerWaalsContact O-CE1 3.22Å; M1672-F1719 WeakPolarHBondContact O-CE1 3.21Å; V1675-F1719 HydrophobicContact CB-CD2 4.16Å; V1675-F1719 HydrophobicContact CB-CE1 4.17Å; V1675-F1719 HydrophobicContact CB-CE2 3.79Å; V1675-F1719 HydrophobicContact CB-CZ 3.79Å; V1675-F1719 HydrophobicContact CG1-CD2 4.4Å; V1675-F1719 HydrophobicContact CG1-CE2 3.63Å; V1675-F1719 HydrophobicContact CG1-CZ 3.72Å; V1675-F1719 HydrophobicContact CG2-CD2 4.13Å; V1675-F1719 HydrophobicContact CG2-CE2 4.18Å; L1679-F1719 HydrophobicContact CD1-CE2 4.49Å; L1679-F1719 HydrophobicContact CD1-CZ 4.44Å; L1679-F1719 HydrophobicContact CD2-CE2 4.11Å; L1679-F1719 HydrophobicContact CG-CE2 4.42Å; A1703-F1719 PolarHBondContact N-O 2.92Å; A1703-F1719 CarbonylContact O-C 3.52Å; A1703-F1719 VanDerWaalsContact O-C 3.31Å; F1719-G1721 PolarHBondContact O-N 2.98Å; F1719-W1786 AromaticContact CD1-CH2 3.82Å; F1719-W1786 HydrophobicContact CD1-CH2 3.82Å; F1719-W1786 HydrophobicContact CE1-CH2 4.28Å; F1719-P1788 HydrophobicContact CB-CG 4.01Å; F1719-P1788 HydrophobicContact CD1-CB 4.47Å; F1719-P1788 HydrophobicContact CD1-CG 4.21Å; F1719-P1788 HydrophobicContact CD2-CB 4.47Å; F1719-P1788 HydrophobicContact CD2-CG 3.89Å; F1719-P1788 HydrophobicContact CE2-CG 4.41Å; F1719-P1788 HydrophobicContact CG-CB 4.44Å; F1719-P1788 HydrophobicContact CG-CG 3.78Å |
| 1720 | P | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -73 | 115.2 | 164.3 | 29.4 | -32.6 | 0 | 0 | 0 | 110.1 | H1702 S1784 W1786 T1787 | H1702-P1720 WeakPolarHBondContact ND1-CA 3.47Å; P1720-S1784 WeakPolarHBondContact CB-OG 3.33Å; P1720-S1784 WeakPolarHBondContact CG-OG 3.33Å; P1720-W1786 HydrophobicContact CG-CD2 4.45Å; P1720-W1786 HydrophobicContact CG-CZ2 4.3Å; P1720-W1786 WeakPolarHBondContact CG-O 3.38Å; P1720-T1787 PolarHBondContact O-OG1 2.77Å | ||
| 1721 | G | 93.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 38 Ų | 38 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | trans | -128.1 | -11.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | H1702 F1719 E1723 T1724 I1725 | H1702-G1721 PolarHBondContact ND1-N 3.04Å; F1719-G1721 PolarHBondContact O-N 2.98Å; G1721-E1723 VanDerWaalsContact C-N 3.26Å; G1721-E1723 PolarHBondContact O-N 3.06Å; G1721-T1724 PolarHBondContact O-N 3.42Å; G1721-T1724 PolarHBondContact O-OG1 3.28Å; G1721-I1725 PolarHBondContact O-N 2.92Å; G1721-I1725 VanDerWaalsContact O-N 3.08Å | ||
| 1722 | V | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -32.1 | -172.8 | 79.7 | 0 | 0 | 0 | 0 | 114.1 | V1487 A1506 A1507 V1512 H1702 I1725 | V1487-V1722 HydrophobicContact CG2-CG2 4.47Å; A1506-V1722 HydrophobicContact CB-CG1 3.49Å; A1506-V1722 VanDerWaalsContact CB-CG1 3.49Å; A1507-V1722 HydrophobicContact CB-CG2 3.91Å; V1512-V1722 HydrophobicContact CG2-CG2 4.37Å; H1702-V1722 HydrophobicContact CB-CB 3.98Å; H1702-V1722 PolarHBondContact ND1-N 3.28Å; V1722-I1725 WeakPolarHBondContact O-CG2 3.4Å |
| 1723 | E | 93.9 | Very high | 92.9 | Very high | 21 Ų | 21 | 28.5 Ų | 28.5 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -27.6 | 177.2 | -76.5 | 178.8 | -143.2 | 0 | 0 | 113.7 | A1506 A1509 G1721 M1780 K1781 S1782 | A1506-E1723 VanDerWaalsContact CA-OE1 3.3Å; A1506-E1723 WeakPolarHBondContact CA-OE1 3.48Å; A1506-E1723 HydrophobicContact CB-CG 3.79Å; A1506-E1723 WeakPolarHBondContact CB-OE1 3.45Å; A1506-E1723 WeakPolarHBondContact O-CG 3.44Å; A1509-E1723 HydrophobicContact CB-CG 4.07Å; G1721-E1723 VanDerWaalsContact C-N 3.26Å; G1721-E1723 PolarHBondContact O-N 3.06Å; E1723-M1780 HydrophobicContact CB-CE 3.85Å; E1723-M1780 HydrophobicContact CG-CE 4.35Å; E1723-M1780 WeakPolarHBondContact OE2-CA 3.15Å; E1723-M1780 VanDerWaalsContact OE2-CB 3.29Å; E1723-M1780 WeakPolarHBondContact OE2-CB 3.38Å; E1723-M1780 WeakPolarHBondContact OE2-CG 3.47Å; E1723-K1781 WeakPolarHBondContact OE1-CA 3.37Å; E1723-K1781 WeakPolarHBondContact OE1-CB 3.43Å; E1723-K1781 PolarHBondContact OE1-N 2.83Å; E1723-K1781 PolarHBondContact OE2-N 2.87Å; E1723-S1782 PolarHBondContact OE1-N 3.21Å |
| 1724 | T | 93.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -14.6 | -170 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | G1721 L1726 P1727 L1728 I1775 T1787 | G1721-T1724 PolarHBondContact O-N 3.42Å; G1721-T1724 PolarHBondContact O-OG1 3.28Å; T1724-L1726 PolarHBondContact O-N 2.96Å; T1724-P1727 WeakPolarHBondContact O-CD 3.36Å; T1724-L1728 WeakPolarHBondContact O-CB 3.04Å; T1724-L1728 WeakPolarHBondContact O-CD1 3.45Å; T1724-L1728 WeakPolarHBondContact O-CG 3.4Å; T1724-L1728 PolarHBondContact O-N 2.85Å; T1724-L1728 VanDerWaalsContact O-N 3.09Å; T1724-I1775 HydrophobicContact CG2-CD1 4.25Å; T1724-I1775 HydrophobicContact CG2-CG2 3.81Å; T1724-T1787 HydrophobicContact CG2-CG2 4.15Å |
| 1725 | I | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -53.9 | -56 | -179.3 | -179 | 160 | 0 | 0 | 0 | 113.4 | V1512 P1655 F1698 T1700 G1721 V1722 L1728 L1729 F1747 | V1512-I1725 HydrophobicContact CG2-CG2 4.48Å; P1655-I1725 HydrophobicContact CG-CB 3.95Å; P1655-I1725 HydrophobicContact CG-CD1 3.59Å; P1655-I1725 HydrophobicContact CG-CG1 3.51Å; F1698-I1725 HydrophobicContact CB-CD1 4.05Å; T1700-I1725 HydrophobicContact CG2-CB 3.54Å; T1700-I1725 HydrophobicContact CG2-CD1 3.43Å; T1700-I1725 VanDerWaalsContact CG2-CD1 3.43Å; T1700-I1725 HydrophobicContact CG2-CG1 4.04Å; T1700-I1725 HydrophobicContact CG2-CG2 3.74Å; G1721-I1725 PolarHBondContact O-N 2.92Å; G1721-I1725 VanDerWaalsContact O-N 3.08Å; V1722-I1725 WeakPolarHBondContact O-CG2 3.4Å; I1725-L1728 PolarHBondContact O-N 2.7Å; I1725-L1729 HydrophobicContact CG1-CD1 3.84Å; I1725-L1729 HydrophobicContact CG1-CG 4.32Å; I1725-L1729 VanDerWaalsContact O-CG 3.27Å; I1725-L1729 WeakPolarHBondContact O-CG 3.23Å; I1725-L1729 PolarHBondContact O-N 3.47Å; I1725-F1747 HydrophobicContact CB-CZ 4.37Å; I1725-F1747 HydrophobicContact CD1-CD2 4.19Å; I1725-F1747 HydrophobicContact CD1-CE1 4.09Å; I1725-F1747 HydrophobicContact CD1-CE2 3.5Å; I1725-F1747 HydrophobicContact CD1-CZ 3.44Å; I1725-F1747 VanDerWaalsContact CD1-CZ 3.44Å; I1725-F1747 HydrophobicContact CG1-CE1 4.03Å; I1725-F1747 HydrophobicContact CG1-CE2 4.35Å; I1725-F1747 HydrophobicContact CG1-CZ 3.82Å; I1725-F1747 HydrophobicContact CG2-CE1 3.99Å; I1725-F1747 HydrophobicContact CG2-CZ 3.6Å |
| 1726 | L | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | -176 | 178.7 | 59.6 | 0 | 0 | 0 | 112.3 | F1482 G1510 T1724 L1728 L1729 L1730 I1743 V1765 V1767 V1798 | F1482-L1726 HydrophobicContact CD2-CD1 4.27Å; F1482-L1726 HydrophobicContact CD2-CD2 3.85Å; F1482-L1726 HydrophobicContact CE2-CD1 3.67Å; F1482-L1726 HydrophobicContact CE2-CD2 3.64Å; F1482-L1726 HydrophobicContact CE2-CG 4.31Å; F1482-L1726 HydrophobicContact CZ-CD1 4.19Å; G1510-L1726 VanDerWaalsContact O-CB 3.22Å; G1510-L1726 WeakPolarHBondContact O-CB 3.24Å; T1724-L1726 PolarHBondContact O-N 2.96Å; L1726-L1728 VanDerWaalsContact C-N 3.28Å; L1726-L1728 PolarHBondContact O-N 2.92Å; L1726-L1729 PolarHBondContact O-N 3.44Å; L1726-L1729 VanDerWaalsContact O-N 3.16Å; L1726-L1730 HydrophobicContact CD1-CD1 4.06Å; L1726-L1730 HydrophobicContact CD1-CD2 4.32Å; L1726-L1730 HydrophobicContact CD1-CG 3.91Å; L1726-L1730 HydrophobicContact CG-CD1 3.86Å; L1726-L1730 HydrophobicContact CG-CG 4.23Å; L1726-L1730 WeakPolarHBondContact O-CB 3.47Å; L1726-L1730 VanDerWaalsContact O-CG 3.23Å; L1726-L1730 WeakPolarHBondContact O-CG 3.34Å; L1726-L1730 PolarHBondContact O-N 2.73Å; L1726-I1743 HydrophobicContact CD1-CG2 4.22Å; L1726-V1765 HydrophobicContact CD2-CG1 4.22Å; L1726-V1767 HydrophobicContact CD2-CG2 4.01Å; L1726-V1798 HydrophobicContact CD2-CG2 3.59Å; L1726-V1798 HydrophobicContact CG-CG2 4.38Å |
| 1727 | P | 93.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -53.2 | -41.5 | 172.4 | -28.4 | 34.9 | 0 | 0 | 0 | 114.1 | T1724 L1730 Q1731 W1773 V1794 | T1724-P1727 WeakPolarHBondContact O-CD 3.36Å; P1727-L1730 PolarHBondContact O-N 2.89Å; P1727-Q1731 WeakPolarHBondContact O-CB 3.3Å; P1727-Q1731 PolarHBondContact O-N 3.45Å; P1727-W1773 HydrophobicContact CB-CZ2 3.76Å; P1727-W1773 HydrophobicContact CG-CH2 4.21Å; P1727-W1773 HydrophobicContact CG-CZ2 3.58Å; P1727-V1794 HydrophobicContact CB-CG2 4.1Å |
| 1728 | L | 96 | Very high | 94 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.6 | -42 | 176.9 | -68.2 | 166.7 | 0 | 0 | 0 | 112.2 | P1655 F1659 T1724 I1725 L1726 L1730 Q1731 A1732 I1775 F1789 | P1655-L1728 HydrophobicContact CB-CD1 4.16Å; F1659-L1728 HydrophobicContact CD2-CB 3.92Å; F1659-L1728 HydrophobicContact CD2-CD1 4.19Å; F1659-L1728 HydrophobicContact CD2-CD2 4.46Å; F1659-L1728 HydrophobicContact CD2-CG 4.43Å; F1659-L1728 HydrophobicContact CE1-CB 4.5Å; F1659-L1728 HydrophobicContact CE2-CB 3.65Å; F1659-L1728 HydrophobicContact CG-CD2 4.31Å; F1659-L1728 HydrophobicContact CZ-CB 3.96Å; F1659-L1728 WeakPolarHBondContact CZ-O 3.24Å; T1724-L1728 WeakPolarHBondContact O-CB 3.04Å; T1724-L1728 WeakPolarHBondContact O-CD1 3.45Å; T1724-L1728 WeakPolarHBondContact O-CG 3.4Å; T1724-L1728 PolarHBondContact O-N 2.85Å; T1724-L1728 VanDerWaalsContact O-N 3.09Å; I1725-L1728 PolarHBondContact O-N 2.7Å; L1726-L1728 VanDerWaalsContact C-N 3.28Å; L1726-L1728 PolarHBondContact O-N 2.92Å; L1728-L1730 VanDerWaalsContact C-N 3.34Å; L1728-Q1731 WeakPolarHBondContact O-CB 3.36Å; L1728-Q1731 PolarHBondContact O-N 3.5Å; L1728-A1732 PolarHBondContact O-N 2.93Å; L1728-I1775 HydrophobicContact CD2-CD1 4.46Å; L1728-F1789 HydrophobicContact CD1-CD1 3.98Å; L1728-F1789 HydrophobicContact CD1-CD2 3.73Å; L1728-F1789 HydrophobicContact CD1-CE1 3.72Å; L1728-F1789 HydrophobicContact CD1-CE2 3.46Å; L1728-F1789 VanDerWaalsContact CD1-CE2 3.46Å; L1728-F1789 HydrophobicContact CD1-CG 3.96Å; L1728-F1789 HydrophobicContact CD1-CZ 3.44Å; L1728-F1789 VanDerWaalsContact CD1-CZ 3.44Å; L1728-F1789 HydrophobicContact CD2-CD1 3.85Å; L1728-F1789 HydrophobicContact CD2-CE1 4.1Å; L1728-F1789 HydrophobicContact CD2-CG 4.19Å |
| 1729 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 176.5 | -66 | 176 | 0 | 0 | 0 | 111.6 | F1698 I1725 L1726 A1732 V1733 L1738 I1743 F1747 | F1698-L1729 HydrophobicContact CB-CD1 4.44Å; F1698-L1729 HydrophobicContact CD1-CD2 4.37Å; F1698-L1729 HydrophobicContact CD2-CD1 3.73Å; F1698-L1729 HydrophobicContact CD2-CD2 3.98Å; F1698-L1729 HydrophobicContact CE1-CD2 4.27Å; F1698-L1729 HydrophobicContact CE2-CD1 4.24Å; F1698-L1729 HydrophobicContact CE2-CD2 3.85Å; F1698-L1729 HydrophobicContact CG-CD1 4.2Å; F1698-L1729 HydrophobicContact CG-CD2 4.25Å; F1698-L1729 HydrophobicContact CZ-CD2 4.01Å; I1725-L1729 HydrophobicContact CG1-CD1 3.84Å; I1725-L1729 HydrophobicContact CG1-CG 4.32Å; I1725-L1729 VanDerWaalsContact O-CG 3.27Å; I1725-L1729 WeakPolarHBondContact O-CG 3.23Å; I1725-L1729 PolarHBondContact O-N 3.47Å; L1726-L1729 PolarHBondContact O-N 3.44Å; L1726-L1729 VanDerWaalsContact O-N 3.16Å; L1729-A1732 WeakPolarHBondContact O-CB 3.39Å; L1729-A1732 PolarHBondContact O-N 2.98Å; L1729-V1733 WeakPolarHBondContact O-CG2 3.26Å; L1729-V1733 PolarHBondContact O-N 2.88Å; L1729-L1738 HydrophobicContact CD2-CD1 3.69Å; L1729-I1743 HydrophobicContact CB-CD1 3.76Å; L1729-I1743 HydrophobicContact CB-CG1 4.12Å; L1729-I1743 HydrophobicContact CD1-CG2 4.48Å; L1729-F1747 HydrophobicContact CD1-CD1 4.09Å; L1729-F1747 HydrophobicContact CD1-CE1 4.5Å |
| 1730 | L | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -38.1 | 175.1 | -68.4 | 166.9 | 0 | 0 | 0 | 112 | L1726 P1727 L1728 A1732 V1733 H1734 M1740 I1743 V1767 L1769 | L1726-L1730 HydrophobicContact CD1-CD1 4.06Å; L1726-L1730 HydrophobicContact CD1-CD2 4.32Å; L1726-L1730 HydrophobicContact CD1-CG 3.91Å; L1726-L1730 HydrophobicContact CG-CD1 3.86Å; L1726-L1730 HydrophobicContact CG-CG 4.23Å; L1726-L1730 WeakPolarHBondContact O-CB 3.47Å; L1726-L1730 VanDerWaalsContact O-CG 3.23Å; L1726-L1730 WeakPolarHBondContact O-CG 3.34Å; L1726-L1730 PolarHBondContact O-N 2.73Å; P1727-L1730 PolarHBondContact O-N 2.89Å; L1728-L1730 VanDerWaalsContact C-N 3.34Å; L1730-A1732 VanDerWaalsContact C-N 3.33Å; L1730-A1732 PolarHBondContact O-N 2.98Å; L1730-V1733 WeakPolarHBondContact O-CA 3.28Å; L1730-V1733 WeakPolarHBondContact O-CB 3.3Å; L1730-V1733 PolarHBondContact O-N 3.04Å; L1730-V1733 VanDerWaalsContact O-N 3.12Å; L1730-H1734 PolarHBondContact O-N 3.31Å; L1730-M1740 HydrophobicContact CD2-CE 3.92Å; L1730-I1743 HydrophobicContact CD2-CD1 4.22Å; L1730-V1767 HydrophobicContact CD1-CB 4.44Å; L1730-V1767 HydrophobicContact CD1-CG1 3.27Å; L1730-V1767 HydrophobicContact CD1-CG2 4.35Å; L1730-V1767 HydrophobicContact CD2-CG1 4.02Å; L1730-V1767 HydrophobicContact CG-CG1 4.28Å; L1730-L1769 HydrophobicContact CD2-CD2 3.81Å |
| 1731 | Q | 95 | Very high | 94.2 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 171.7 | -179.5 | 59.8 | 22.7 | 0 | 0 | 111.3 | P1727 L1728 V1733 H1734 E1735 V1794 | P1727-Q1731 WeakPolarHBondContact O-CB 3.3Å; P1727-Q1731 PolarHBondContact O-N 3.45Å; L1728-Q1731 WeakPolarHBondContact O-CB 3.36Å; L1728-Q1731 PolarHBondContact O-N 3.5Å; Q1731-V1733 VanDerWaalsContact C-N 3.27Å; Q1731-V1733 PolarHBondContact O-N 3.46Å; Q1731-H1734 WeakPolarHBondContact O-CB 3.38Å; Q1731-H1734 PolarHBondContact O-N 3.33Å; Q1731-H1734 VanDerWaalsContact O-N 3.12Å; Q1731-E1735 PolarHBondContact NE2-OE1 2.9Å; Q1731-E1735 WeakPolarHBondContact O-CG 3.3Å; Q1731-E1735 PolarHBondContact O-N 3Å; Q1731-V1794 HydrophobicContact CB-CB 4.27Å; Q1731-V1794 HydrophobicContact CB-CG1 4.13Å; Q1731-V1794 HydrophobicContact CG-CG1 4.37Å |
| 1732 | A | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -29.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1659 W1689 L1728 L1729 L1730 G1736 R1737 L1738 | F1659-A1732 HydrophobicContact CE1-CB 4.18Å; F1659-A1732 HydrophobicContact CZ-CB 3.9Å; W1689-A1732 HydrophobicContact CH2-CB 3.82Å; L1728-A1732 PolarHBondContact O-N 2.93Å; L1729-A1732 WeakPolarHBondContact O-CB 3.39Å; L1729-A1732 PolarHBondContact O-N 2.98Å; L1730-A1732 VanDerWaalsContact C-N 3.33Å; L1730-A1732 PolarHBondContact O-N 2.98Å; A1732-G1736 PolarHBondContact O-N 3.38Å; A1732-R1737 HydrophobicContact CB-CB 4.29Å; A1732-R1737 PolarHBondContact O-N 2.74Å; A1732-L1738 HydrophobicContact CB-CB 4.37Å; A1732-L1738 HydrophobicContact CB-CD1 3.92Å; A1732-L1738 HydrophobicContact CB-CG 4.04Å; A1732-L1738 PolarHBondContact O-N 3.21Å; A1732-L1738 VanDerWaalsContact O-N 3.16Å |
| 1733 | V | 94.3 | Very high | 94.4 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.5 | -43.7 | 170 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | L1729 L1730 Q1731 E1735 G1736 L1738 I1743 | L1729-V1733 WeakPolarHBondContact O-CG2 3.26Å; L1729-V1733 PolarHBondContact O-N 2.88Å; L1730-V1733 WeakPolarHBondContact O-CA 3.28Å; L1730-V1733 WeakPolarHBondContact O-CB 3.3Å; L1730-V1733 PolarHBondContact O-N 3.04Å; L1730-V1733 VanDerWaalsContact O-N 3.12Å; Q1731-V1733 VanDerWaalsContact C-N 3.27Å; Q1731-V1733 PolarHBondContact O-N 3.46Å; V1733-E1735 VanDerWaalsContact C-N 3.27Å; V1733-E1735 PolarHBondContact O-N 3.34Å; V1733-G1736 PolarHBondContact O-N 3.3Å; V1733-L1738 WeakPolarHBondContact CA-O 3.48Å; V1733-L1738 HydrophobicContact CG2-CB 3.88Å; V1733-I1743 HydrophobicContact CG2-CD1 3.59Å; V1733-I1743 HydrophobicContact CG2-CG1 4.2Å |
| 1734 | H | 91 | Very high | 94.5 | Very high | 111 Ų | 111 | 36.2 Ų | 36.2 | 51% | 0.514 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.8 | -37.4 | 176.5 | -178.7 | 42.8 | 0 | 0 | 0 | 112.3 | L1730 Q1731 G1736 | L1730-H1734 PolarHBondContact O-N 3.31Å; Q1731-H1734 WeakPolarHBondContact O-CB 3.38Å; Q1731-H1734 PolarHBondContact O-N 3.33Å; Q1731-H1734 VanDerWaalsContact O-N 3.12Å; H1734-G1736 VanDerWaalsContact C-N 3.26Å; H1734-G1736 PolarHBondContact O-N 2.92Å |
| 1735 | E | 92.7 | Very high | 94.6 | Very high | 103 Ų | 103 | 39.4 Ų | 39.4 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -3.7 | 175.4 | -68.8 | 171.4 | -174.7 | 0 | 0 | 113.9 | Q1731 V1733 R1737 | Q1731-E1735 PolarHBondContact NE2-OE1 2.9Å; Q1731-E1735 WeakPolarHBondContact O-CG 3.3Å; Q1731-E1735 PolarHBondContact O-N 3Å; V1733-E1735 VanDerWaalsContact C-N 3.27Å; V1733-E1735 PolarHBondContact O-N 3.34Å; E1735-R1737 VanDerWaalsContact C-N 3.3Å; E1735-R1737 HydrophobicContact CB-CG 4.16Å; E1735-R1737 PolarHBondContact O-N 3.37Å |
| 1736 | G | 91.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 39.5 Ų | 39.5 | 68% | 0.68 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 13 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1732 V1733 H1734 | A1732-G1736 PolarHBondContact O-N 3.38Å; V1733-G1736 PolarHBondContact O-N 3.3Å; H1734-G1736 VanDerWaalsContact C-N 3.26Å; H1734-G1736 PolarHBondContact O-N 2.92Å |
| 1737 | R | 93.5 | Very high | 94.8 | Very high | 111 Ų | 111 | 39.5 Ų | 39.5 | 42% | 0.419 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -83.9 | -24.1 | 178.1 | -56.9 | -176.3 | 70.2 | -167.5 | 6.2 | 113.2 | W1689 A1732 E1735 | W1689-R1737 HydrophobicContact CE3-CB 4.5Å; W1689-R1737 HydrophobicContact CH2-CB 4.34Å; W1689-R1737 HydrophobicContact CZ3-CB 3.98Å; A1732-R1737 HydrophobicContact CB-CB 4.29Å; A1732-R1737 PolarHBondContact O-N 2.74Å; E1735-R1737 VanDerWaalsContact C-N 3.3Å; E1735-R1737 HydrophobicContact CB-CG 4.16Å; E1735-R1737 PolarHBondContact O-N 3.37Å |
| 1738 | L | 95.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -129.5 | 156.5 | 173.1 | -69.6 | 178.5 | 0 | 0 | 0 | 110.1 | W1689 I1692 F1698 L1729 A1732 V1733 D1742 | W1689-L1738 HydrophobicContact CH2-CD1 4.23Å; W1689-L1738 HydrophobicContact CH2-CG 4.13Å; W1689-L1738 HydrophobicContact CZ3-CD1 4.32Å; W1689-L1738 HydrophobicContact CZ3-CD2 3.87Å; W1689-L1738 HydrophobicContact CZ3-CG 3.8Å; I1692-L1738 HydrophobicContact CD1-CD2 4.48Å; I1692-L1738 HydrophobicContact CG1-CD2 3.93Å; F1698-L1738 HydrophobicContact CE2-CD1 4.41Å; F1698-L1738 HydrophobicContact CZ-CD1 4.17Å; F1698-L1738 HydrophobicContact CZ-CD2 4.4Å; L1729-L1738 HydrophobicContact CD2-CD1 3.69Å; A1732-L1738 HydrophobicContact CB-CB 4.37Å; A1732-L1738 HydrophobicContact CB-CD1 3.92Å; A1732-L1738 HydrophobicContact CB-CG 4.04Å; A1732-L1738 PolarHBondContact O-N 3.21Å; A1732-L1738 VanDerWaalsContact O-N 3.16Å; V1733-L1738 WeakPolarHBondContact CA-O 3.48Å; V1733-L1738 HydrophobicContact CG2-CB 3.88Å; L1738-D1742 HydrophobicContact CD2-CB 4.13Å |
| 1739 | T | 93.9 | Very high | 94.9 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 45% | 0.454 | 23% | 0.228 | S | C | . | . | trans | -98.9 | 162 | 165.4 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | E1741 D1742 I1743 | T1739-E1741 PolarHBondContact O-N 3.23Å; T1739-E1741 PolarHBondContact OG1-N 2.68Å; T1739-D1742 WeakPolarHBondContact CB-OD2 3.38Å; T1739-D1742 PolarHBondContact N-OD2 2.86Å; T1739-D1742 WeakPolarHBondContact O-CB 3.48Å; T1739-D1742 PolarHBondContact O-N 3.18Å; T1739-D1742 VanDerWaalsContact O-N 3.1Å; T1739-D1742 VanDerWaalsContact OG1-CG 3.26Å; T1739-D1742 PolarHBondContact OG1-N 2.98Å; T1739-D1742 VanDerWaalsContact OG1-N 3.13Å; T1739-D1742 PolarHBondContact OG1-OD2 2.62Å; T1739-I1743 PolarHBondContact O-N 2.95Å | ||
| 1740 | M | 93 | Very high | 94.9 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 21% | 0.207 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -30.8 | 173.1 | -169 | 58.2 | 68.7 | 0 | 0 | 112 | V1477 L1479 L1730 I1743 K1744 L1769 | V1477-M1740 HydrophobicContact CG2-CE 4.33Å; L1479-M1740 HydrophobicContact CD1-SD 3.79Å; L1479-M1740 HydrophobicContact CD2-CG 3.88Å; L1479-M1740 HydrophobicContact CD2-SD 3.48Å; L1479-M1740 WeakPolarHBondContact CD2-SD 3.45Å; L1479-M1740 HydrophobicContact CG-SD 4.3Å; L1730-M1740 HydrophobicContact CD2-CE 3.92Å; M1740-I1743 PolarHBondContact O-N 2.86Å; M1740-I1743 HydrophobicContact SD-CD1 4.39Å; M1740-K1744 WeakPolarHBondContact O-CG 3.4Å; M1740-K1744 PolarHBondContact O-N 2.99Å; M1740-K1744 VanDerWaalsContact O-N 3.17Å; M1740-L1769 HydrophobicContact CE-CD1 4.45Å; M1740-L1769 HydrophobicContact CE-CD2 3.96Å |
| 1741 | E | 94.4 | Very high | 95 | Very high | 81 Ų | 81 | 47.5 Ų | 47.5 | 38% | 0.379 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.5 | -30.3 | 176.2 | -169.5 | 57.5 | -155.1 | 0 | 0 | 111.9 | T1739 I1743 K1744 R1745 R1749 | T1739-E1741 PolarHBondContact O-N 3.23Å; T1739-E1741 PolarHBondContact OG1-N 2.68Å; E1741-I1743 VanDerWaalsContact C-N 3.34Å; E1741-I1743 PolarHBondContact O-N 3.36Å; E1741-K1744 PolarHBondContact O-N 3.36Å; E1741-K1744 WeakPolarHBondContact OE2-CD 2.98Å; E1741-R1745 WeakPolarHBondContact O-CB 2.88Å; E1741-R1745 PolarHBondContact O-N 3.35Å; E1741-R1749 IonicContact OE1-CZ 3.79Å; E1741-R1749 VanDerWaalsContact OE1-CZ 3.28Å; E1741-R1749 IonicContact OE1-NH1 2.63Å; E1741-R1749 PolarHBondContact OE1-NH1 2.93Å; E1741-R1749 IonicContact OE1-NH2 2.64Å; E1741-R1749 PolarHBondContact OE1-NH2 2.89Å |
| 1742 | D | 95.4 | Very high | 95 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 172.3 | -68.9 | -54.3 | 0 | 0 | 0 | 112 | L1738 T1739 R1745 K1746 | L1738-D1742 HydrophobicContact CD2-CB 4.13Å; T1739-D1742 WeakPolarHBondContact CB-OD2 3.38Å; T1739-D1742 PolarHBondContact N-OD2 2.86Å; T1739-D1742 WeakPolarHBondContact O-CB 3.48Å; T1739-D1742 PolarHBondContact O-N 3.18Å; T1739-D1742 VanDerWaalsContact O-N 3.1Å; T1739-D1742 VanDerWaalsContact OG1-CG 3.26Å; T1739-D1742 PolarHBondContact OG1-N 2.98Å; T1739-D1742 VanDerWaalsContact OG1-N 3.13Å; T1739-D1742 PolarHBondContact OG1-OD2 2.62Å; D1742-R1745 PolarHBondContact O-N 2.94Å; D1742-R1745 IonicContact OD1-CZ 3.08Å; D1742-R1745 IonicContact OD1-NE 3.96Å; D1742-R1745 IonicContact OD1-NH2 2.84Å; D1742-R1745 PolarHBondContact OD1-NH2 3.15Å; D1742-K1746 WeakPolarHBondContact O-CB 3.26Å; D1742-K1746 PolarHBondContact O-N 3.01Å |
| 1743 | I | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -51 | 175.1 | -58.9 | -177.4 | 0 | 0 | 0 | 110 | F1482 L1726 L1729 L1730 V1733 T1739 M1740 E1741 R1745 F1747 | F1482-I1743 HydrophobicContact CD1-CG2 4.47Å; F1482-I1743 HydrophobicContact CE1-CG2 3.58Å; F1482-I1743 HydrophobicContact CE2-CG2 4.44Å; F1482-I1743 HydrophobicContact CZ-CG2 3.55Å; L1726-I1743 HydrophobicContact CD1-CG2 4.22Å; L1729-I1743 HydrophobicContact CB-CD1 3.76Å; L1729-I1743 HydrophobicContact CB-CG1 4.12Å; L1729-I1743 HydrophobicContact CD1-CG2 4.48Å; L1730-I1743 HydrophobicContact CD2-CD1 4.22Å; V1733-I1743 HydrophobicContact CG2-CD1 3.59Å; V1733-I1743 HydrophobicContact CG2-CG1 4.2Å; T1739-I1743 PolarHBondContact O-N 2.95Å; M1740-I1743 PolarHBondContact O-N 2.86Å; M1740-I1743 HydrophobicContact SD-CD1 4.39Å; E1741-I1743 VanDerWaalsContact C-N 3.34Å; E1741-I1743 PolarHBondContact O-N 3.36Å; I1743-R1745 VanDerWaalsContact C-N 3.32Å; I1743-R1745 PolarHBondContact O-N 3.04Å; I1743-F1747 HydrophobicContact CG2-CB 4.36Å; I1743-F1747 HydrophobicContact CG2-CD1 4.42Å; I1743-F1747 WeakPolarHBondContact O-CA 3.43Å; I1743-F1747 WeakPolarHBondContact O-CB 3.42Å; I1743-F1747 PolarHBondContact O-N 2.73Å |
| 1744 | K | 95.5 | Very high | 94.8 | Very high | 59 Ų | 59 | 54 Ų | 54 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 178.9 | -68.3 | 174.8 | -176.4 | 174.6 | 0 | 112.3 | P1480 M1740 E1741 H1748 R1749 | P1480-K1744 HydrophobicContact CG-CG 4.19Å; M1740-K1744 WeakPolarHBondContact O-CG 3.4Å; M1740-K1744 PolarHBondContact O-N 2.99Å; M1740-K1744 VanDerWaalsContact O-N 3.17Å; E1741-K1744 PolarHBondContact O-N 3.36Å; E1741-K1744 WeakPolarHBondContact OE2-CD 2.98Å; K1744-H1748 WeakPolarHBondContact O-CB 3.5Å; K1744-H1748 PolarHBondContact O-N 2.92Å; K1744-R1749 PolarHBondContact O-N 3.14Å |
| 1745 | R | 97 | Very high | 94.9 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 28% | 0.275 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -67 | -55 | 179.8 | -178.9 | 173.9 | 63.7 | 161.8 | 1.9 | 111.1 | D1693 E1741 D1742 I1743 R1749 N1750 | D1693-R1745 IonicContact OD1-NH2 2.86Å; D1693-R1745 PolarHBondContact OD1-NH2 2.91Å; E1741-R1745 WeakPolarHBondContact O-CB 2.88Å; E1741-R1745 PolarHBondContact O-N 3.35Å; D1742-R1745 PolarHBondContact O-N 2.94Å; D1742-R1745 IonicContact OD1-CZ 3.08Å; D1742-R1745 IonicContact OD1-NE 3.96Å; D1742-R1745 IonicContact OD1-NH2 2.84Å; D1742-R1745 PolarHBondContact OD1-NH2 3.15Å; I1743-R1745 VanDerWaalsContact C-N 3.32Å; I1743-R1745 PolarHBondContact O-N 3.04Å; R1745-R1749 PolarHBondContact O-N 3.21Å; R1745-N1750 VanDerWaalsContact O-CB 3.24Å; R1745-N1750 WeakPolarHBondContact O-CB 3.42Å; R1745-N1750 VanDerWaalsContact O-CG 3.25Å; R1745-N1750 PolarHBondContact O-N 3.44Å |
| 1746 | K | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -86.5 | -20.1 | -170.2 | -64.1 | 169.6 | -179.9 | -22.6 | 0 | 114.2 | I1692 I1695 D1696 V1697 F1698 D1742 P1751 | I1692-K1746 WeakPolarHBondContact O-CE 3.43Å; I1692-K1746 PolarHBondContact O-NZ 3.48Å; I1695-K1746 PolarHBondContact O-NZ 3.47Å; D1696-K1746 VanDerWaalsContact O-CA 3.32Å; D1696-K1746 WeakPolarHBondContact O-CA 3.28Å; V1697-K1746 VanDerWaalsContact CA-O 3.28Å; V1697-K1746 WeakPolarHBondContact CA-O 3.19Å; F1698-K1746 HydrophobicContact CD2-CB 3.69Å; F1698-K1746 HydrophobicContact CE1-CD 4.39Å; F1698-K1746 HydrophobicContact CE2-CB 3.67Å; F1698-K1746 HydrophobicContact CE2-CD 3.74Å; F1698-K1746 HydrophobicContact CE2-CG 4.37Å; F1698-K1746 HydrophobicContact CG-CB 4.38Å; F1698-K1746 HydrophobicContact CZ-CB 4.34Å; F1698-K1746 HydrophobicContact CZ-CD 3.67Å; F1698-K1746 PolarHBondContact N-O 3.36Å; F1698-K1746 VanDerWaalsContact N-O 3.13Å; D1742-K1746 WeakPolarHBondContact O-CB 3.26Å; D1742-K1746 PolarHBondContact O-N 3.01Å; K1746-P1751 WeakPolarHBondContact O-CD 3.48Å; K1746-P1751 WeakPolarHBondContact O-CG 3.33Å |
| 1747 | F | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -111.8 | -2 | -177.5 | -158.2 | -154.3 | 0 | 0 | 0 | 114.2 | F1482 I1483 D1484 V1512 F1698 I1725 L1729 I1743 | F1482-F1747 HydrophobicContact CB-CD1 3.53Å; F1482-F1747 HydrophobicContact CB-CD2 4.39Å; F1482-F1747 HydrophobicContact CB-CE1 3.51Å; F1482-F1747 HydrophobicContact CB-CE2 4.37Å; F1482-F1747 HydrophobicContact CB-CG 3.98Å; F1482-F1747 HydrophobicContact CB-CZ 3.95Å; F1482-F1747 HydrophobicContact CD1-CB 3.73Å; F1482-F1747 AromaticContact CD1-CD1 3.43Å; F1482-F1747 HydrophobicContact CD1-CD1 3.43Å; F1482-F1747 VanDerWaalsContact CD1-CD1 3.43Å; F1482-F1747 HydrophobicContact CD1-CE1 4.24Å; F1482-F1747 AromaticContact CD1-CG 3.77Å; F1482-F1747 HydrophobicContact CD1-CG 3.77Å; F1482-F1747 AromaticContact CD2-CD1 3.98Å; F1482-F1747 HydrophobicContact CD2-CD1 3.98Å; F1482-F1747 HydrophobicContact CD2-CE1 4.09Å; F1482-F1747 HydrophobicContact CE1-CB 4.22Å; F1482-F1747 HydrophobicContact CE1-CD1 4.11Å; F1482-F1747 HydrophobicContact CG-CB 4.48Å; F1482-F1747 AromaticContact CG-CD1 3.35Å; F1482-F1747 HydrophobicContact CG-CD1 3.35Å; F1482-F1747 AromaticContact CG-CE1 3.69Å; F1482-F1747 HydrophobicContact CG-CE1 3.69Å; F1482-F1747 HydrophobicContact CG-CG 4.02Å; I1483-F1747 PolarHBondContact N-O 2.76Å; I1483-F1747 WeakPolarHBondContact O-CD2 3.27Å; D1484-F1747 HydrophobicContact CB-CE2 4.38Å; V1512-F1747 HydrophobicContact CG2-CE1 4.28Å; V1512-F1747 HydrophobicContact CG2-CE2 4.39Å; V1512-F1747 HydrophobicContact CG2-CZ 3.59Å; F1698-F1747 HydrophobicContact CB-CD2 4.15Å; F1698-F1747 HydrophobicContact CB-CG 4.47Å; F1698-F1747 HydrophobicContact CD2-CB 4.28Å; F1698-F1747 WeakPolarHBondContact O-CD2 3.48Å; I1725-F1747 HydrophobicContact CB-CZ 4.37Å; I1725-F1747 HydrophobicContact CD1-CD2 4.19Å; I1725-F1747 HydrophobicContact CD1-CE1 4.09Å; I1725-F1747 HydrophobicContact CD1-CE2 3.5Å; I1725-F1747 HydrophobicContact CD1-CZ 3.44Å; I1725-F1747 VanDerWaalsContact CD1-CZ 3.44Å; I1725-F1747 HydrophobicContact CG1-CE1 4.03Å; I1725-F1747 HydrophobicContact CG1-CE2 4.35Å; I1725-F1747 HydrophobicContact CG1-CZ 3.82Å; I1725-F1747 HydrophobicContact CG2-CE1 3.99Å; I1725-F1747 HydrophobicContact CG2-CZ 3.6Å; L1729-F1747 HydrophobicContact CD1-CD1 4.09Å; L1729-F1747 HydrophobicContact CD1-CE1 4.5Å; I1743-F1747 HydrophobicContact CG2-CB 4.36Å; I1743-F1747 HydrophobicContact CG2-CD1 4.42Å; I1743-F1747 WeakPolarHBondContact O-CA 3.43Å; I1743-F1747 WeakPolarHBondContact O-CB 3.42Å; I1743-F1747 PolarHBondContact O-N 2.73Å |
| 1748 | H | 96.4 | Very high | 94.5 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -138.8 | -62.9 | 175.6 | 173.3 | 79.9 | 0 | 0 | 0 | 112.7 | P1480 G1481 F1482 K1744 P1751 K1752 | P1480-H1748 HydrophobicContact CB-CB 4.37Å; P1480-H1748 HydrophobicContact CG-CB 3.93Å; G1481-H1748 PolarHBondContact O-ND1 3.46Å; F1482-H1748 HydrophobicContact CD1-CB 4.07Å; F1482-H1748 HydrophobicContact CE1-CB 4.48Å; K1744-H1748 WeakPolarHBondContact O-CB 3.5Å; K1744-H1748 PolarHBondContact O-N 2.92Å; H1748-P1751 WeakPolarHBondContact O-CD 3.42Å; H1748-K1752 VanDerWaalsContact O-CB 3.28Å; H1748-K1752 WeakPolarHBondContact O-CB 3.37Å; H1748-K1752 PolarHBondContact O-N 3.15Å |
| 1749 | R | 96.6 | Very high | 93.8 | Very high | 110 Ų | 110 | 48.4 Ų | 48.4 | 42% | 0.415 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -64.6 | -48.8 | -171.7 | -165.7 | -175.8 | -66.2 | 128.5 | 0.6 | 112.8 | E1741 K1744 R1745 K1752 I1753 | E1741-R1749 IonicContact OE1-CZ 3.79Å; E1741-R1749 VanDerWaalsContact OE1-CZ 3.28Å; E1741-R1749 IonicContact OE1-NH1 2.63Å; E1741-R1749 PolarHBondContact OE1-NH1 2.93Å; E1741-R1749 IonicContact OE1-NH2 2.64Å; E1741-R1749 PolarHBondContact OE1-NH2 2.89Å; K1744-R1749 PolarHBondContact O-N 3.14Å; R1745-R1749 PolarHBondContact O-N 3.21Å; R1749-K1752 PolarHBondContact O-N 2.97Å; R1749-I1753 HydrophobicContact CG-CD1 3.99Å; R1749-I1753 VanDerWaalsContact O-CG1 3.29Å; R1749-I1753 WeakPolarHBondContact O-CG1 3.33Å; R1749-I1753 PolarHBondContact O-N 3.34Å |
| 1750 | N | 97.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.6 | -49.8 | 179.3 | -73 | -3.6 | 0 | 0 | 0 | 112.2 | D1696 V1697 R1745 K1752 I1753 I1754 | D1696-N1750 WeakPolarHBondContact O-CB 3.27Å; D1696-N1750 PolarHBondContact O-ND2 3.15Å; V1697-N1750 HydrophobicContact CG2-CB 4.41Å; R1745-N1750 VanDerWaalsContact O-CB 3.24Å; R1745-N1750 WeakPolarHBondContact O-CB 3.42Å; R1745-N1750 VanDerWaalsContact O-CG 3.25Å; R1745-N1750 PolarHBondContact O-N 3.44Å; N1750-K1752 VanDerWaalsContact C-N 3.26Å; N1750-K1752 PolarHBondContact O-N 3.5Å; N1750-I1753 PolarHBondContact O-N 2.97Å; N1750-I1753 VanDerWaalsContact O-N 3.16Å; N1750-I1754 HydrophobicContact CB-CD1 4.15Å; N1750-I1754 WeakPolarHBondContact O-CB 3.37Å; N1750-I1754 VanDerWaalsContact O-CG1 3.23Å; N1750-I1754 WeakPolarHBondContact O-CG1 3.42Å; N1750-I1754 PolarHBondContact O-N 2.85Å |
| 1751 | P | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -49.9 | -47 | 171.6 | -31.5 | 36.2 | 0 | 0 | 0 | 112.9 | I1483 V1485 V1697 K1746 H1748 I1753 F1755 | I1483-P1751 HydrophobicContact CB-CB 3.78Å; I1483-P1751 HydrophobicContact CB-CG 4.44Å; I1483-P1751 HydrophobicContact CD1-CB 4.24Å; I1483-P1751 HydrophobicContact CG2-CB 3.82Å; V1485-P1751 HydrophobicContact CG1-CB 3.79Å; V1697-P1751 HydrophobicContact CG1-CG 3.9Å; V1697-P1751 HydrophobicContact CG2-CG 4.04Å; K1746-P1751 WeakPolarHBondContact O-CD 3.48Å; K1746-P1751 WeakPolarHBondContact O-CG 3.33Å; H1748-P1751 WeakPolarHBondContact O-CD 3.42Å; P1751-I1753 PolarHBondContact O-N 2.96Å; P1751-F1755 VanDerWaalsContact O-CB 3.32Å; P1751-F1755 WeakPolarHBondContact O-CB 3.14Å; P1751-F1755 WeakPolarHBondContact O-CD2 3.3Å; P1751-F1755 PolarHBondContact O-N 3Å |
| 1752 | K | 94.4 | Very high | 92.3 | Very high | 49 Ų | 49 | 51 Ų | 51 | 21% | 0.213 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 178.8 | -176.5 | -168.2 | 166.4 | -163.7 | 0 | 112.3 | I1483 H1748 R1749 N1750 N1756 L1757 D1759 | I1483-K1752 HydrophobicContact CD1-CB 3.88Å; H1748-K1752 VanDerWaalsContact O-CB 3.28Å; H1748-K1752 WeakPolarHBondContact O-CB 3.37Å; H1748-K1752 PolarHBondContact O-N 3.15Å; R1749-K1752 PolarHBondContact O-N 2.97Å; N1750-K1752 VanDerWaalsContact C-N 3.26Å; N1750-K1752 PolarHBondContact O-N 3.5Å; K1752-N1756 CarbonylContact O-C 3.54Å; K1752-N1756 WeakPolarHBondContact O-CA 3.4Å; K1752-N1756 PolarHBondContact O-N 2.76Å; K1752-L1757 HydrophobicContact CG-CB 4.4Å; K1752-L1757 WeakPolarHBondContact CG-O 3.38Å; K1752-L1757 PolarHBondContact O-N 3.39Å; K1752-D1759 VanDerWaalsContact CE-OD1 3.22Å; K1752-D1759 WeakPolarHBondContact CE-OD1 3.28Å; K1752-D1759 IonicContact NZ-OD1 3.49Å; K1752-D1759 PolarHBondContact NZ-OD1 3.41Å; K1752-D1759 IonicContact NZ-OD2 3.87Å; K1752-D1759 PolarHBondContact NZ-OD2 3.27Å |
| 1753 | I | 93.3 | Very high | 92.1 | Very high | 119 Ų | 119 | 50.9 Ų | 50.9 | 61% | 0.61 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -68.7 | -50.6 | -178.8 | -67.1 | 166 | 0 | 0 | 0 | 111 | R1749 N1750 P1751 F1755 N1756 | R1749-I1753 HydrophobicContact CG-CD1 3.99Å; R1749-I1753 VanDerWaalsContact O-CG1 3.29Å; R1749-I1753 WeakPolarHBondContact O-CG1 3.33Å; R1749-I1753 PolarHBondContact O-N 3.34Å; N1750-I1753 PolarHBondContact O-N 2.97Å; N1750-I1753 VanDerWaalsContact O-N 3.16Å; P1751-I1753 PolarHBondContact O-N 2.96Å; I1753-F1755 VanDerWaalsContact C-N 3.33Å; I1753-F1755 PolarHBondContact O-N 2.83Å; I1753-N1756 PolarHBondContact O-N 3.16Å |
| 1754 | I | 93 | Very high | 91.9 | Very high | 39 Ų | 39 | 53 Ų | 53 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | -174.7 | -67.4 | 167.8 | 0 | 0 | 0 | 110.7 | P1601 T1650 D1696 V1697 N1750 | P1601-I1754 WeakPolarHBondContact CG-O 3.34Å; T1650-I1754 HydrophobicContact CG2-CD1 3.84Å; T1650-I1754 HydrophobicContact CG2-CG1 4.09Å; D1696-I1754 HydrophobicContact CB-CD1 3.7Å; V1697-I1754 HydrophobicContact CG2-CD1 3.74Å; N1750-I1754 HydrophobicContact CB-CD1 4.15Å; N1750-I1754 WeakPolarHBondContact O-CB 3.37Å; N1750-I1754 VanDerWaalsContact O-CG1 3.23Å; N1750-I1754 WeakPolarHBondContact O-CG1 3.42Å; N1750-I1754 PolarHBondContact O-N 2.85Å |
| 1755 | F | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4.4 | -178.1 | -67.2 | -90.1 | 0 | 0 | 0 | 113.4 | V1485 Y1549 P1601 V1603 H1626 P1751 I1753 L1757 R1825 | V1485-F1755 HydrophobicContact CB-CD2 4.23Å; V1485-F1755 HydrophobicContact CB-CE1 4.45Å; V1485-F1755 HydrophobicContact CB-CE2 3.76Å; V1485-F1755 HydrophobicContact CB-CZ 3.87Å; V1485-F1755 HydrophobicContact CG1-CD2 3.61Å; V1485-F1755 HydrophobicContact CG1-CE2 3.57Å; V1485-F1755 HydrophobicContact CG1-CG 4.24Å; V1485-F1755 HydrophobicContact CG1-CZ 4.17Å; V1485-F1755 HydrophobicContact CG2-CE2 3.9Å; V1485-F1755 HydrophobicContact CG2-CZ 4.04Å; Y1549-F1755 HydrophobicContact CE1-CE1 4.2Å; Y1549-F1755 AromaticContact CZ-CE1 3.98Å; Y1549-F1755 WeakPolarHBondContact OH-CE1 3.13Å; P1601-F1755 HydrophobicContact CB-CD1 4.24Å; P1601-F1755 HydrophobicContact CG-CD1 4.26Å; V1603-F1755 HydrophobicContact CG2-CE1 3.6Å; V1603-F1755 HydrophobicContact CG2-CZ 4.18Å; H1626-F1755 AromaticContact CD2-CZ 3.83Å; P1751-F1755 VanDerWaalsContact O-CB 3.32Å; P1751-F1755 WeakPolarHBondContact O-CB 3.14Å; P1751-F1755 WeakPolarHBondContact O-CD2 3.3Å; P1751-F1755 PolarHBondContact O-N 3Å; I1753-F1755 VanDerWaalsContact C-N 3.33Å; I1753-F1755 PolarHBondContact O-N 2.83Å; F1755-L1757 VanDerWaalsContact C-N 3.31Å; F1755-L1757 HydrophobicContact CB-CD1 3.77Å; F1755-L1757 HydrophobicContact CB-CD2 4.24Å; F1755-L1757 HydrophobicContact CB-CG 3.72Å; F1755-L1757 PolarHBondContact O-N 3.21Å; F1755-R1825 PolarHBondContact O-NH2 2.77Å |
| 1756 | N | 88.4 | Confident | 91.5 | Very high | 101 Ų | 101 | 47.4 Ų | 47.4 | 54% | 0.54 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 49.9 | -178.2 | -174.2 | 36.9 | 0 | 0 | 0 | 111.9 | K1752 I1753 R1825 | K1752-N1756 CarbonylContact O-C 3.54Å; K1752-N1756 WeakPolarHBondContact O-CA 3.4Å; K1752-N1756 PolarHBondContact O-N 2.76Å; I1753-N1756 PolarHBondContact O-N 3.16Å; N1756-R1825 PolarHBondContact O-NH1 2.82Å |
| 1757 | L | 91.4 | Very high | 91.2 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -91.9 | 145.5 | -179 | -56 | 165.9 | 0 | 0 | 0 | 109.7 | I1483 L1514 A1547 K1752 F1755 V1824 | I1483-L1757 HydrophobicContact CD1-CD1 4.13Å; I1483-L1757 HydrophobicContact CG2-CD1 3.66Å; L1514-L1757 HydrophobicContact CD2-CB 4.18Å; L1514-L1757 HydrophobicContact CD2-CD1 3.78Å; L1514-L1757 HydrophobicContact CD2-CD2 4.35Å; L1514-L1757 HydrophobicContact CD2-CG 4.31Å; A1547-L1757 HydrophobicContact CB-CD2 4.15Å; K1752-L1757 HydrophobicContact CG-CB 4.4Å; K1752-L1757 WeakPolarHBondContact CG-O 3.38Å; K1752-L1757 PolarHBondContact O-N 3.39Å; F1755-L1757 VanDerWaalsContact C-N 3.31Å; F1755-L1757 HydrophobicContact CB-CD1 3.77Å; F1755-L1757 HydrophobicContact CB-CD2 4.24Å; F1755-L1757 HydrophobicContact CB-CG 3.72Å; F1755-L1757 PolarHBondContact O-N 3.21Å; L1757-V1824 HydrophobicContact CD2-CG2 4.03Å |
| 1758 | P | 87.7 | Confident | 90.8 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 40% | 0.403 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -73 | 160.9 | 179.9 | 31 | -35 | 0 | 0 | 0 | 112 | V1824 | P1758-V1824 HydrophobicContact CG-CB 3.76Å; P1758-V1824 HydrophobicContact CG-CG1 4.37Å; P1758-V1824 HydrophobicContact CG-CG2 4.5Å |
| 1759 | D | 82.3 | Confident | 90.4 | Very high | 109 Ų | 109 | 47.4 Ų | 47.4 | 58% | 0.583 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -65.7 | 136 | 165.9 | -92.5 | -40.4 | 0 | 0 | 0 | 111.1 | K1752 A1761 | K1752-D1759 VanDerWaalsContact CE-OD1 3.22Å; K1752-D1759 WeakPolarHBondContact CE-OD1 3.28Å; K1752-D1759 IonicContact NZ-OD1 3.49Å; K1752-D1759 PolarHBondContact NZ-OD1 3.41Å; K1752-D1759 IonicContact NZ-OD2 3.87Å; K1752-D1759 PolarHBondContact NZ-OD2 3.27Å; D1759-A1761 PolarHBondContact O-N 3Å |
| 1760 | Q | 85.1 | Confident | 89.7 | Confident | 27 Ų | 27 | 44.7 Ų | 44.7 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | trans | -92.7 | 87.7 | 167.9 | -61.7 | -179.1 | -69.3 | 0 | 0 | 108.5 | T1513 D1545 T1763 | T1513-Q1760 PolarHBondContact O-NE2 2.82Å; T1513-Q1760 PolarHBondContact OG1-OE1 3.46Å; D1545-Q1760 PolarHBondContact OD2-NE2 3.42Å; Q1760-T1763 HydrophobicContact CB-CG2 4.03Å; Q1760-T1763 WeakPolarHBondContact CB-OG1 3.41Å; Q1760-T1763 WeakPolarHBondContact O-CB 3.08Å; Q1760-T1763 PolarHBondContact O-N 3.28Å | ||
| 1761 | A | 79.3 | Confident | 89.1 | Confident | 76 Ų | 76 | 45 Ų | 45 | 63% | 0.628 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 140.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D1759 T1763 | D1759-A1761 PolarHBondContact O-N 3Å; A1761-T1763 PolarHBondContact O-N 3.01Å |
| 1762 | Q | 83.8 | Confident | 88.7 | Confident | 149 Ų | 149 | 51 Ų | 51 | 70% | 0.696 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 26 | -177.5 | -49.8 | 178.5 | 27.1 | 0 | 0 | 114.5 | G1805 | Q1762-G1805 PolarHBondContact O-N 2.97Š|
| 1763 | T | 91.7 | Very high | 88.4 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | trans | -111.2 | 130.2 | 174 | -64.9 | 0 | 0 | 0 | 0 | 110.5 | T1513 Q1760 A1761 V1802 L1803 R1804 | T1513-T1763 HydrophobicContact CG2-CG2 3.55Å; Q1760-T1763 HydrophobicContact CB-CG2 4.03Å; Q1760-T1763 WeakPolarHBondContact CB-OG1 3.41Å; Q1760-T1763 WeakPolarHBondContact O-CB 3.08Å; Q1760-T1763 PolarHBondContact O-N 3.28Å; A1761-T1763 PolarHBondContact O-N 3.01Å; T1763-V1802 CarbonylContact C-O 3.47Å; T1763-V1802 WeakPolarHBondContact CA-O 3.38Å; T1763-V1802 WeakPolarHBondContact CG2-O 3.38Å; T1763-L1803 HydrophobicContact CG2-CD1 3.92Å; T1763-R1804 PolarHBondContact OG1-N 2.93Å | ||
| 1764 | Y | 92.7 | Very high | 88.3 | Confident | 45 Ų | 45 | 47.7 Ų | 47.7 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 164.1 | -179.6 | 63.3 | -93.5 | 0 | 0 | 0 | 111.9 | K1478 L1479 E1766 V1802 | K1478-Y1764 HydrophobicContact CD-CD2 4.07Å; K1478-Y1764 HydrophobicContact CD-CE2 4.42Å; K1478-Y1764 HydrophobicContact CD-CG 4.18Å; K1478-Y1764 HydrophobicContact CG-CD2 3.7Å; K1478-Y1764 HydrophobicContact CG-CE2 4.37Å; K1478-Y1764 HydrophobicContact CG-CG 3.99Å; L1479-Y1764 CarbonylContact O-C 3.59Å; L1479-Y1764 VanDerWaalsContact O-CA 3.32Å; L1479-Y1764 WeakPolarHBondContact O-CA 3.36Å; L1479-Y1764 VanDerWaalsContact O-CB 3.29Å; L1479-Y1764 WeakPolarHBondContact O-CB 3.35Å; Y1764-E1766 HydrophobicContact CD2-CG 4Å; Y1764-E1766 HydrophobicContact CE2-CG 3.71Å; Y1764-E1766 WeakPolarHBondContact CE2-OE1 3.42Å; Y1764-V1802 HydrophobicContact CD1-CB 3.94Å; Y1764-V1802 HydrophobicContact CD1-CG1 4.29Å; Y1764-V1802 HydrophobicContact CD2-CB 4.36Å; Y1764-V1802 HydrophobicContact CD2-CG2 4.38Å; Y1764-V1802 HydrophobicContact CE1-CB 3.63Å; Y1764-V1802 HydrophobicContact CE1-CG1 3.79Å; Y1764-V1802 HydrophobicContact CE1-CG2 3.87Å; Y1764-V1802 HydrophobicContact CE2-CB 4.08Å; Y1764-V1802 HydrophobicContact CE2-CG2 3.69Å; Y1764-V1802 HydrophobicContact CG-CB 4.31Å; Y1764-V1802 VanDerWaalsContact CZ-CG2 3.41Å; Y1764-V1802 PolarHBondContact N-O 3.19Å; Y1764-V1802 PolarHBondContact O-N 3.01Å; Y1764-V1802 WeakPolarHBondContact OH-CG2 3.48Å |
| 1765 | V | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | L1479 F1482 G1511 T1513 L1726 V1767 V1798 R1800 V1801 | L1479-V1765 HydrophobicContact CB-CB 4.46Å; L1479-V1765 PolarHBondContact N-O 3.19Å; L1479-V1765 PolarHBondContact O-N 3.03Å; F1482-V1765 HydrophobicContact CD2-CG2 4.26Å; G1511-V1765 WeakPolarHBondContact O-CG2 3.41Å; T1513-V1765 HydrophobicContact CG2-CG2 4.47Å; L1726-V1765 HydrophobicContact CD2-CG1 4.22Å; V1765-V1767 HydrophobicContact CG1-CG2 3.92Å; V1765-V1798 HydrophobicContact CG1-CG1 4.06Å; V1765-R1800 CarbonylContact C-O 3.52Å; V1765-R1800 WeakPolarHBondContact CA-O 3.43Å; V1765-V1801 HydrophobicContact CG1-CG2 4.32Å; V1765-V1801 HydrophobicContact CG2-CG1 4.46Å; V1765-V1801 HydrophobicContact CG2-CG2 4.33Å |
| 1766 | E | 90.8 | Very high | 87.8 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.065 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.9 | 167.7 | -60.7 | 173.8 | 179.1 | 0 | 0 | 108.4 | I1476 V1477 Y1764 H1799 R1800 | I1476-E1766 HydrophobicContact CG2-CB 3.92Å; V1477-E1766 WeakPolarHBondContact O-CA 3.47Å; Y1764-E1766 HydrophobicContact CD2-CG 4Å; Y1764-E1766 HydrophobicContact CE2-CG 3.71Å; Y1764-E1766 WeakPolarHBondContact CE2-OE1 3.42Å; E1766-H1799 WeakPolarHBondContact O-CB 3.29Å; E1766-H1799 PolarHBondContact O-N 3.1Å; E1766-H1799 IonicContact OE2-CD2 2.68Å; E1766-R1800 HydrophobicContact CB-CB 3.99Å; E1766-R1800 HydrophobicContact CG-CB 4.3Å; E1766-R1800 PolarHBondContact N-O 2.82Å; E1766-R1800 PolarHBondContact O-N 2.74Å; E1766-R1800 VanDerWaalsContact O-N 3.12Å; E1766-R1800 IonicContact OE1-NH1 3.11Å; E1766-R1800 PolarHBondContact OE1-NH1 3.48Å; E1766-R1800 WeakPolarHBondContact OE2-CD 3.46Å; E1766-R1800 IonicContact OE2-CZ 3.18Å; E1766-R1800 IonicContact OE2-NE 2.71Å; E1766-R1800 IonicContact OE2-NH1 2.68Å; E1766-R1800 PolarHBondContact OE2-NH1 3.26Å |
| 1767 | V | 91 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.3 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | I1476 V1477 L1479 L1726 L1730 V1765 L1769 R1797 | I1476-V1767 CarbonylContact C-O 3.46Å; I1476-V1767 VanDerWaalsContact CA-O 3.31Å; I1476-V1767 WeakPolarHBondContact CA-O 3.41Å; V1477-V1767 HydrophobicContact CG2-CB 4Å; V1477-V1767 PolarHBondContact N-O 3.24Å; V1477-V1767 PolarHBondContact O-N 2.97Å; L1479-V1767 HydrophobicContact CD1-CB 4.31Å; L1479-V1767 HydrophobicContact CD1-CG2 3.68Å; L1479-V1767 HydrophobicContact CG-CG2 4.48Å; L1726-V1767 HydrophobicContact CD2-CG2 4.01Å; L1730-V1767 HydrophobicContact CD1-CB 4.44Å; L1730-V1767 HydrophobicContact CD1-CG1 3.27Å; L1730-V1767 HydrophobicContact CD1-CG2 4.35Å; L1730-V1767 HydrophobicContact CD2-CG1 4.02Å; L1730-V1767 HydrophobicContact CG-CG1 4.28Å; V1765-V1767 HydrophobicContact CG1-CG2 3.92Å; V1767-L1769 HydrophobicContact CG1-CD2 3.91Å; V1767-R1797 CarbonylContact C-O 3.58Å; V1767-R1797 WeakPolarHBondContact CA-O 3.09Å; V1767-R1797 WeakPolarHBondContact CG1-O 3.2Å |
| 1768 | D | 88.7 | Confident | 86.4 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 109 | 167.2 | -173.9 | -16.5 | 0 | 0 | 0 | 108.9 | R1474 D1770 E1771 G1796 R1797 H1799 | R1474-D1768 WeakPolarHBondContact CD-OD2 3.17Å; R1474-D1768 IonicContact CZ-OD2 2.71Å; R1474-D1768 IonicContact NE-OD2 3.32Å; R1474-D1768 IonicContact NH1-OD2 3.68Å; R1474-D1768 PolarHBondContact NH1-OD2 3.46Å; D1768-D1770 VanDerWaalsContact C-N 3.29Å; D1768-D1770 PolarHBondContact OD1-N 2.94Å; D1768-E1771 HydrophobicContact CB-CB 4.11Å; D1768-E1771 PolarHBondContact OD1-N 3.44Å; D1768-G1796 CarbonylContact O-C 3.28Å; D1768-G1796 WeakPolarHBondContact O-CA 3.44Å; D1768-R1797 PolarHBondContact N-O 3.37Å; D1768-R1797 PolarHBondContact O-N 2.95Å; D1768-H1799 HydrophobicContact CB-CB 4.44Å |
| 1769 | L | 87.7 | Confident | 85.8 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 18% | 0.183 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -12 | -179.7 | -62.2 | -179.9 | 0 | 0 | 0 | 113.6 | R1475 V1477 L1730 M1740 V1767 K1795 | R1475-L1769 HydrophobicContact CB-CB 4.22Å; R1475-L1769 WeakPolarHBondContact O-CB 3.27Å; R1475-L1769 PolarHBondContact O-N 3.19Å; V1477-L1769 HydrophobicContact CB-CD1 4.39Å; V1477-L1769 HydrophobicContact CG1-CD1 3.56Å; V1477-L1769 HydrophobicContact CG1-CG 4.22Å; V1477-L1769 HydrophobicContact CG2-CD1 3.9Å; V1477-L1769 HydrophobicContact CG2-CD2 3.92Å; V1477-L1769 HydrophobicContact CG2-CG 3.8Å; L1730-L1769 HydrophobicContact CD2-CD2 3.81Å; M1740-L1769 HydrophobicContact CE-CD1 4.45Å; M1740-L1769 HydrophobicContact CE-CD2 3.96Å; V1767-L1769 HydrophobicContact CG1-CD2 3.91Å; L1769-K1795 WeakPolarHBondContact O-CG 3.48Å |
| 1770 | D | 82.8 | Confident | 86 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 28% | 0.283 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -16.6 | -177.8 | -66 | -36.1 | 0 | 0 | 0 | 112.5 | R1475 D1768 E1772 | R1475-D1770 VanDerWaalsContact CB-OD2 3.3Å; R1475-D1770 WeakPolarHBondContact CB-OD2 3.29Å; R1475-D1770 VanDerWaalsContact CG-OD2 3.32Å; R1475-D1770 WeakPolarHBondContact CG-OD2 3.34Å; R1475-D1770 IonicContact CZ-OD1 2.83Å; R1475-D1770 PolarHBondContact N-OD2 3.41Å; R1475-D1770 IonicContact NE-OD1 3.81Å; R1475-D1770 PolarHBondContact NE-OD1 2.89Å; R1475-D1770 IonicContact NE-OD2 3.88Å; R1475-D1770 PolarHBondContact NE-OD2 3.46Å; R1475-D1770 IonicContact NH2-OD1 3.06Å; R1475-D1770 PolarHBondContact NH2-OD1 3.29Å; D1768-D1770 VanDerWaalsContact C-N 3.29Å; D1768-D1770 PolarHBondContact OD1-N 2.94Å; D1770-E1772 PolarHBondContact O-N 3.28Å; D1770-E1772 VanDerWaalsContact O-N 3.13Å |
| 1771 | E | 85.2 | Confident | 86.3 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 109.9 | 176 | -167.6 | 172.9 | 166.7 | 0 | 0 | 111.2 | D1768 G1796 R1797 | D1768-E1771 HydrophobicContact CB-CB 4.11Å; D1768-E1771 PolarHBondContact OD1-N 3.44Å; E1771-G1796 PolarHBondContact O-N 3.02Å; E1771-R1797 HydrophobicContact CB-CB 4.16Å; E1771-R1797 HydrophobicContact CG-CB 4.19Å; E1771-R1797 WeakPolarHBondContact OE1-CD 3.27Å; E1771-R1797 IonicContact OE1-CZ 3.93Å; E1771-R1797 IonicContact OE1-NE 3.72Å; E1771-R1797 IonicContact OE1-NH1 2.73Å; E1771-R1797 PolarHBondContact OE1-NH1 2.84Å |
| 1772 | E | 87.8 | Confident | 87 | Confident | 126 Ų | 126 | 46.7 Ų | 46.7 | 59% | 0.589 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.9 | 167.2 | -172.3 | -178.4 | 160.5 | 0 | 0 | 109.1 | D1770 V1794 | D1770-E1772 PolarHBondContact O-N 3.28Å; D1770-E1772 VanDerWaalsContact O-N 3.13Å; E1772-V1794 WeakPolarHBondContact CA-O 3.43Å |
| 1773 | W | 88 | Confident | 87.4 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 16% | 0.163 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 160.6 | -179.5 | 64.4 | -67.9 | 0 | 0 | 0 | 110.9 | P1727 I1775 V1794 G1796 R1797 | P1727-W1773 HydrophobicContact CB-CZ2 3.76Å; P1727-W1773 HydrophobicContact CG-CH2 4.21Å; P1727-W1773 HydrophobicContact CG-CZ2 3.58Å; W1773-I1775 HydrophobicContact CH2-CG1 4.12Å; W1773-I1775 HydrophobicContact CZ2-CG1 4.5Å; W1773-I1775 HydrophobicContact CZ3-CG1 4.21Å; W1773-V1794 HydrophobicContact CD2-CG2 4.22Å; W1773-V1794 HydrophobicContact CG-CG2 4.38Å; W1773-V1794 HydrophobicContact CZ2-CG2 4.15Å; W1773-V1794 PolarHBondContact N-O 3.33Å; W1773-V1794 PolarHBondContact O-N 3Å; W1773-G1796 PolarHBondContact NE1-O 2.79Å; W1773-R1797 HydrophobicContact CD2-CG 4.27Å; W1773-R1797 HydrophobicContact CZ2-CG 3.93Å |
| 1774 | T | 91 | Very high | 87.2 | Confident | 57 Ų | 57 | 43.3 Ų | 43.3 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.3 | 175.6 | -55.3 | 0 | 0 | 0 | 0 | 108.7 | T1776 T1792 | T1774-T1776 HydrophobicContact CG2-CG2 4.49Å; T1774-T1776 PolarHBondContact O-N 2.92Å; T1774-T1792 WeakPolarHBondContact CA-O 3.32Å |
| 1775 | I | 90.3 | Very high | 86.9 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -65.3 | 122 | 174.4 | -62.7 | 176 | 0 | 0 | 0 | 108.7 | T1724 L1728 W1773 T1787 F1789 G1791 T1792 V1794 | T1724-I1775 HydrophobicContact CG2-CD1 4.25Å; T1724-I1775 HydrophobicContact CG2-CG2 3.81Å; L1728-I1775 HydrophobicContact CD2-CD1 4.46Å; W1773-I1775 HydrophobicContact CH2-CG1 4.12Å; W1773-I1775 HydrophobicContact CZ2-CG1 4.5Å; W1773-I1775 HydrophobicContact CZ3-CG1 4.21Å; I1775-T1787 HydrophobicContact CG2-CG2 3.57Å; I1775-F1789 HydrophobicContact CD1-CB 4.05Å; I1775-F1789 HydrophobicContact CG2-CB 4.37Å; I1775-G1791 PolarHBondContact O-N 3.41Å; I1775-T1792 PolarHBondContact N-O 3.03Å; I1775-V1794 HydrophobicContact CD1-CG1 3.94Å; I1775-V1794 HydrophobicContact CD1-CG2 4.18Å; I1775-V1794 HydrophobicContact CG1-CG1 4.43Å; I1775-V1794 HydrophobicContact CG1-CG2 3.92Å | ||
| 1776 | T | 84.9 | Confident | 86.8 | Confident | 49 Ų | 49 | 43.4 Ų | 43.4 | 30% | 0.301 | 23% | 0.225 | S | C | . | . | trans | -130.9 | 137.9 | 178.8 | 61 | 0 | 0 | 0 | 0 | 111.8 | T1774 N1778 E1790 | T1774-T1776 HydrophobicContact CG2-CG2 4.49Å; T1774-T1776 PolarHBondContact O-N 2.92Å; T1776-N1778 VanDerWaalsContact C-N 3.32Å; T1776-N1778 PolarHBondContact O-N 2.93Å; T1776-E1790 VanDerWaalsContact CA-OE1 3.27Å; T1776-E1790 WeakPolarHBondContact CA-OE1 3.41Å | ||
| 1777 | G | 77.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -71.1 | -26.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1779 M1780 G1785 E1790 | G1777-E1779 VanDerWaalsContact C-N 3.27Å; G1777-E1779 PolarHBondContact O-N 3.37Å; G1777-M1780 WeakPolarHBondContact O-CB 3.19Å; G1777-M1780 WeakPolarHBondContact O-CG 3.48Å; G1777-M1780 PolarHBondContact O-N 3.04Å; G1777-G1785 CarbonylContact O-C 3.51Å; G1777-E1790 VanDerWaalsContact CA-OE2 3.27Å; G1777-E1790 WeakPolarHBondContact CA-OE2 3.43Å; G1777-E1790 PolarHBondContact N-OE1 3.36Å; G1777-E1790 PolarHBondContact N-OE2 3Å |
| 1778 | N | 72.6 | Confident | 87 | Confident | 158 Ų | 158 | 43 Ų | 43 | 85% | 0.845 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -69.2 | -21.6 | -177.9 | -68.4 | -14.1 | 0 | 0 | 0 | 113.7 | T1776 | T1776-N1778 VanDerWaalsContact C-N 3.32Å; T1776-N1778 PolarHBondContact O-N 2.93Å |
| 1779 | E | 75.9 | Confident | 87.2 | Confident | 79 Ų | 79 | 43.2 Ų | 43.2 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -90.3 | -7 | 178.6 | -63.9 | -160 | 145.1 | 0 | 0 | 113.4 | R404 G1777 R1797 | R404-E1779 IonicContact NH1-OE1 3.55Å; R404-E1779 IonicContact NH2-OE1 2.77Å; G1777-E1779 VanDerWaalsContact C-N 3.27Å; G1777-E1779 PolarHBondContact O-N 3.37Å; E1779-R1797 IonicContact OE2-NH2 3.88Å; E1779-R1797 PolarHBondContact OE2-NH2 2.72Å |
| 1780 | M | 87.2 | Confident | 87.3 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | trans | -68.5 | 145.5 | -173.2 | -62.3 | -173.7 | 81.5 | 0 | 0 | 112.7 | E1723 G1777 T1787 | E1723-M1780 HydrophobicContact CB-CE 3.85Å; E1723-M1780 HydrophobicContact CG-CE 4.35Å; E1723-M1780 WeakPolarHBondContact OE2-CA 3.15Å; E1723-M1780 VanDerWaalsContact OE2-CB 3.29Å; E1723-M1780 WeakPolarHBondContact OE2-CB 3.38Å; E1723-M1780 WeakPolarHBondContact OE2-CG 3.47Å; G1777-M1780 WeakPolarHBondContact O-CB 3.19Å; G1777-M1780 WeakPolarHBondContact O-CG 3.48Å; G1777-M1780 PolarHBondContact O-N 3.04Å; M1780-T1787 HydrophobicContact SD-CG2 3.99Å | ||
| 1781 | K | 91.7 | Very high | 87.7 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 34% | 0.339 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -87 | -24.9 | 174.7 | -53.6 | -49.8 | 179.2 | -155.3 | 0 | 112.5 | A1505 A1506 A1509 E1723 G1812 V1814 | A1505-K1781 HydrophobicContact CB-CB 4.03Å; A1506-K1781 HydrophobicContact CB-CB 4.31Å; A1509-K1781 HydrophobicContact CB-CG 4.11Å; E1723-K1781 WeakPolarHBondContact OE1-CA 3.37Å; E1723-K1781 WeakPolarHBondContact OE1-CB 3.43Å; E1723-K1781 PolarHBondContact OE1-N 2.83Å; E1723-K1781 PolarHBondContact OE2-N 2.87Å; K1781-G1812 WeakPolarHBondContact CE-O 3.47Å; K1781-G1812 PolarHBondContact NZ-O 3.37Å; K1781-V1814 HydrophobicContact CG-CG2 4.27Å |
| 1782 | S | 92.3 | Very high | 87.9 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -56.7 | 132.7 | 169.5 | 166.1 | 0 | 0 | 0 | 0 | 110.7 | E1498 E1723 S1784 G1785 | E1498-S1782 VanDerWaalsContact OE2-CA 3.24Å; E1498-S1782 WeakPolarHBondContact OE2-CA 3.37Å; E1498-S1782 WeakPolarHBondContact OE2-CB 3.47Å; E1498-S1782 PolarHBondContact OE2-OG 3.26Å; E1723-S1782 PolarHBondContact OE1-N 3.21Å; S1782-S1784 PolarHBondContact O-N 2.66Å; S1782-S1784 WeakPolarHBondContact OG-CB 3.47Å; S1782-S1784 PolarHBondContact OG-N 2.77Å; S1782-S1784 PolarHBondContact OG-OG 3.1Å; S1782-G1785 PolarHBondContact O-N 3.18Å |
| 1783 | K | 92.4 | Very high | 88.1 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -12.8 | 176.9 | -73.9 | -177.1 | -169.4 | 179.9 | 0 | 113.4 | T1495 K1497 E1498 D1499 S1502 G1785 | T1495-K1783 PolarHBondContact O-NZ 2.89Å; K1497-K1783 WeakPolarHBondContact O-CB 3.35Å; E1498-K1783 WeakPolarHBondContact OE1-CB 3.33Å; E1498-K1783 WeakPolarHBondContact OE1-CG 3.4Å; E1498-K1783 PolarHBondContact OE1-N 3.39Å; D1499-K1783 WeakPolarHBondContact OD2-CE 3.42Å; D1499-K1783 IonicContact OD2-NZ 2.71Å; D1499-K1783 PolarHBondContact OD2-NZ 3.01Å; S1502-K1783 WeakPolarHBondContact OG-CE 3.31Å; K1783-G1785 VanDerWaalsContact C-N 3.26Å; K1783-G1785 PolarHBondContact O-N 3.4Å |
| 1784 | S | 88.4 | Confident | 88.4 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -39.7 | 173.2 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | H1705 P1720 S1782 W1786 | H1705-S1784 WeakPolarHBondContact O-CB 3.45Å; P1720-S1784 WeakPolarHBondContact CB-OG 3.33Å; P1720-S1784 WeakPolarHBondContact CG-OG 3.33Å; S1782-S1784 PolarHBondContact O-N 2.66Å; S1782-S1784 WeakPolarHBondContact OG-CB 3.47Å; S1782-S1784 PolarHBondContact OG-N 2.77Å; S1782-S1784 PolarHBondContact OG-OG 3.1Å; S1784-W1786 VanDerWaalsContact O-CD1 3.3Å; S1784-W1786 PolarHBondContact O-N 2.94Å; S1784-W1786 PolarHBondContact OG-O 3.26Å |
| 1785 | G | 87.3 | Confident | 88.5 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | trans | 64.1 | 19.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | G1777 S1782 K1783 | G1777-G1785 CarbonylContact O-C 3.51Å; S1782-G1785 PolarHBondContact O-N 3.18Å; K1783-G1785 VanDerWaalsContact C-N 3.26Å; K1783-G1785 PolarHBondContact O-N 3.4Å | ||
| 1786 | W | 90.7 | Very high | 88.5 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 5% | 0.045 | 24% | 0.238 | C | C | . | . | trans | -154.9 | 162.6 | 178.3 | 78.4 | -79.8 | 0 | 0 | 0 | 110.9 | M1672 H1705 L1707 K1710 F1719 P1720 S1784 P1788 | M1672-W1786 HydrophobicContact CE-CD2 3.84Å; M1672-W1786 HydrophobicContact CE-CE3 3.33Å; M1672-W1786 HydrophobicContact CE-CH2 3.95Å; M1672-W1786 HydrophobicContact CE-CZ2 4.42Å; M1672-W1786 HydrophobicContact CE-CZ3 3.37Å; H1705-W1786 PolarHBondContact O-NE1 3.42Å; L1707-W1786 HydrophobicContact CB-CG 4.44Å; L1707-W1786 HydrophobicContact CD1-CB 4.06Å; L1707-W1786 HydrophobicContact CD1-CD2 4.32Å; L1707-W1786 HydrophobicContact CD1-CG 3.93Å; K1710-W1786 HydrophobicContact CB-CZ2 4.28Å; K1710-W1786 HydrophobicContact CD-CH2 4.28Å; K1710-W1786 HydrophobicContact CD-CZ2 3.83Å; K1710-W1786 HydrophobicContact CG-CH2 4.22Å; K1710-W1786 HydrophobicContact CG-CZ2 3.46Å; K1710-W1786 VanDerWaalsContact CG-CZ2 3.46Å; F1719-W1786 AromaticContact CD1-CH2 3.82Å; F1719-W1786 HydrophobicContact CD1-CH2 3.82Å; F1719-W1786 HydrophobicContact CE1-CH2 4.28Å; P1720-W1786 HydrophobicContact CG-CD2 4.45Å; P1720-W1786 HydrophobicContact CG-CZ2 4.3Å; P1720-W1786 WeakPolarHBondContact CG-O 3.38Å; S1784-W1786 VanDerWaalsContact O-CD1 3.3Å; S1784-W1786 PolarHBondContact O-N 2.94Å; S1784-W1786 PolarHBondContact OG-O 3.26Å; W1786-P1788 HydrophobicContact CZ3-CB 4.41Å | ||
| 1787 | T | 92.1 | Very high | 88.8 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | trans | -148.4 | 150.2 | 173.3 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | P1720 T1724 I1775 M1780 F1789 E1790 | P1720-T1787 PolarHBondContact O-OG1 2.77Å; T1724-T1787 HydrophobicContact CG2-CG2 4.15Å; I1775-T1787 HydrophobicContact CG2-CG2 3.57Å; M1780-T1787 HydrophobicContact SD-CG2 3.99Å; T1787-F1789 HydrophobicContact CG2-CB 4.45Å; T1787-F1789 PolarHBondContact O-N 3.45Å; T1787-F1789 VanDerWaalsContact O-N 3.17Å; T1787-E1790 PolarHBondContact O-N 2.82Å | ||
| 1788 | P | 92.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -9.2 | 176 | 30 | -39.3 | 0 | 0 | 0 | 113.9 | L1660 R1667 L1668 F1719 W1786 E1790 | L1660-P1788 HydrophobicContact CD1-CB 3.74Å; L1660-P1788 HydrophobicContact CD1-CG 4Å; R1667-P1788 PolarHBondContact NH1-O 3.35Å; L1668-P1788 HydrophobicContact CD1-CB 4.24Å; L1668-P1788 HydrophobicContact CD2-CB 4.07Å; L1668-P1788 WeakPolarHBondContact CD2-O 3.09Å; F1719-P1788 HydrophobicContact CB-CG 4.01Å; F1719-P1788 HydrophobicContact CD1-CB 4.47Å; F1719-P1788 HydrophobicContact CD1-CG 4.21Å; F1719-P1788 HydrophobicContact CD2-CB 4.47Å; F1719-P1788 HydrophobicContact CD2-CG 3.89Å; F1719-P1788 HydrophobicContact CE2-CG 4.41Å; F1719-P1788 HydrophobicContact CG-CB 4.44Å; F1719-P1788 HydrophobicContact CG-CG 3.78Å; W1786-P1788 HydrophobicContact CZ3-CB 4.41Å; P1788-E1790 VanDerWaalsContact C-N 3.35Å |
| 1789 | F | 93.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 15.3 | 176.4 | -53 | -75.6 | 0 | 0 | 0 | 113.1 | H1656 F1659 L1660 L1728 I1775 T1787 G1791 T1792 | H1656-F1789 HydrophobicContact CB-CZ 4.09Å; F1659-F1789 HydrophobicContact CB-CE1 3.74Å; F1659-F1789 HydrophobicContact CB-CZ 4.34Å; L1660-F1789 HydrophobicContact CD1-CE1 3.89Å; L1660-F1789 HydrophobicContact CD1-CZ 3.97Å; L1660-F1789 HydrophobicContact CD2-CD1 4.19Å; L1660-F1789 HydrophobicContact CD2-CE1 3.85Å; L1660-F1789 HydrophobicContact CG-CD1 4.43Å; L1660-F1789 HydrophobicContact CG-CE1 3.66Å; L1660-F1789 HydrophobicContact CG-CZ 4.11Å; L1728-F1789 HydrophobicContact CD1-CD1 3.98Å; L1728-F1789 HydrophobicContact CD1-CD2 3.73Å; L1728-F1789 HydrophobicContact CD1-CE1 3.72Å; L1728-F1789 HydrophobicContact CD1-CE2 3.46Å; L1728-F1789 VanDerWaalsContact CD1-CE2 3.46Å; L1728-F1789 HydrophobicContact CD1-CG 3.96Å; L1728-F1789 HydrophobicContact CD1-CZ 3.44Å; L1728-F1789 VanDerWaalsContact CD1-CZ 3.44Å; L1728-F1789 HydrophobicContact CD2-CD1 3.85Å; L1728-F1789 HydrophobicContact CD2-CE1 4.1Å; L1728-F1789 HydrophobicContact CD2-CG 4.19Å; I1775-F1789 HydrophobicContact CD1-CB 4.05Å; I1775-F1789 HydrophobicContact CG2-CB 4.37Å; T1787-F1789 HydrophobicContact CG2-CB 4.45Å; T1787-F1789 PolarHBondContact O-N 3.45Å; T1787-F1789 VanDerWaalsContact O-N 3.17Å; F1789-G1791 PolarHBondContact O-N 3.2Å; F1789-T1792 VanDerWaalsContact O-CB 3.25Å; F1789-T1792 WeakPolarHBondContact O-CB 3.3Å; F1789-T1792 PolarHBondContact O-N 2.97Å; F1789-T1792 PolarHBondContact O-OG1 2.94Å |
| 1790 | E | 90.1 | Very high | 90.9 | Very high | 86 Ų | 86 | 33.7 Ų | 33.7 | 40% | 0.402 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 128.8 | 175.4 | -167.2 | 72.7 | -156.2 | 0 | 0 | 110.8 | T1776 G1777 T1787 P1788 T1792 | T1776-E1790 VanDerWaalsContact CA-OE1 3.27Å; T1776-E1790 WeakPolarHBondContact CA-OE1 3.41Å; G1777-E1790 VanDerWaalsContact CA-OE2 3.27Å; G1777-E1790 WeakPolarHBondContact CA-OE2 3.43Å; G1777-E1790 PolarHBondContact N-OE1 3.36Å; G1777-E1790 PolarHBondContact N-OE2 3Å; T1787-E1790 PolarHBondContact O-N 2.82Å; P1788-E1790 VanDerWaalsContact C-N 3.35Å; E1790-T1792 VanDerWaalsContact C-N 3.27Å; E1790-T1792 PolarHBondContact O-N 3.34Å |
| 1791 | G | 89.9 | Confident | 91.2 | Very high | 51 Ų | 51 | 32.5 Ų | 32.5 | 53% | 0.526 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -1.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1775 F1789 K1793 | I1775-G1791 PolarHBondContact O-N 3.41Å; F1789-G1791 PolarHBondContact O-N 3.2Å; G1791-K1793 PolarHBondContact O-N 2.93Å |
| 1792 | T | 90.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 29 Ų | 29 | 27% | 0.27 | 16% | 0.157 | S | C | . | . | trans | -73 | 124.8 | 173.8 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | T1774 I1775 F1789 E1790 V1794 | T1774-T1792 WeakPolarHBondContact CA-O 3.32Å; I1775-T1792 PolarHBondContact N-O 3.03Å; F1789-T1792 VanDerWaalsContact O-CB 3.25Å; F1789-T1792 WeakPolarHBondContact O-CB 3.3Å; F1789-T1792 PolarHBondContact O-N 2.97Å; F1789-T1792 PolarHBondContact O-OG1 2.94Å; E1790-T1792 VanDerWaalsContact C-N 3.27Å; E1790-T1792 PolarHBondContact O-N 3.34Å; T1792-V1794 HydrophobicContact CG2-CG1 4.06Å | ||
| 1793 | K | 92.6 | Very high | 91.2 | Very high | 137 Ų | 137 | 28.8 Ų | 28.8 | 60% | 0.596 | 16% | 0.156 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 130.3 | 169.5 | -69.7 | -171.9 | 174.6 | -166.5 | 0 | 109.7 | G1791 | G1791-K1793 PolarHBondContact O-N 2.93Å |
| 1794 | V | 93.5 | Very high | 91 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 152.7 | 178.9 | -65.9 | 0 | 0 | 0 | 0 | 110.1 | P1727 Q1731 E1772 W1773 I1775 T1792 | P1727-V1794 HydrophobicContact CB-CG2 4.1Å; Q1731-V1794 HydrophobicContact CB-CB 4.27Å; Q1731-V1794 HydrophobicContact CB-CG1 4.13Å; Q1731-V1794 HydrophobicContact CG-CG1 4.37Å; E1772-V1794 WeakPolarHBondContact CA-O 3.43Å; W1773-V1794 HydrophobicContact CD2-CG2 4.22Å; W1773-V1794 HydrophobicContact CG-CG2 4.38Å; W1773-V1794 HydrophobicContact CZ2-CG2 4.15Å; W1773-V1794 PolarHBondContact N-O 3.33Å; W1773-V1794 PolarHBondContact O-N 3Å; I1775-V1794 HydrophobicContact CD1-CG1 3.94Å; I1775-V1794 HydrophobicContact CD1-CG2 4.18Å; I1775-V1794 HydrophobicContact CG1-CG1 4.43Å; I1775-V1794 HydrophobicContact CG1-CG2 3.92Å; T1792-V1794 HydrophobicContact CG2-CG1 4.06Å |
| 1795 | K | 92.2 | Very high | 90.8 | Very high | 56 Ų | 56 | 29.1 Ų | 29.1 | 24% | 0.243 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123 | 173.4 | -164.5 | 172.3 | -174.1 | 166.9 | 0 | 110.1 | L1769 | L1769-K1795 WeakPolarHBondContact O-CG 3.48Å |
| 1796 | G | 90.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 114.9 | 120.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1768 E1771 W1773 | D1768-G1796 CarbonylContact O-C 3.28Å; D1768-G1796 WeakPolarHBondContact O-CA 3.44Å; E1771-G1796 PolarHBondContact O-N 3.02Å; W1773-G1796 PolarHBondContact NE1-O 2.79Å |
| 1797 | R | 91 | Very high | 90.6 | Very high | 56 Ų | 56 | 33.2 Ų | 33.2 | 21% | 0.211 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.6 | 175.3 | -160.8 | 174.5 | -170 | 171.9 | 4.7 | 111.6 | V1767 D1768 E1771 W1773 E1779 H1799 | V1767-R1797 CarbonylContact C-O 3.58Å; V1767-R1797 WeakPolarHBondContact CA-O 3.09Å; V1767-R1797 WeakPolarHBondContact CG1-O 3.2Å; D1768-R1797 PolarHBondContact N-O 3.37Å; D1768-R1797 PolarHBondContact O-N 2.95Å; E1771-R1797 HydrophobicContact CB-CB 4.16Å; E1771-R1797 HydrophobicContact CG-CB 4.19Å; E1771-R1797 WeakPolarHBondContact OE1-CD 3.27Å; E1771-R1797 IonicContact OE1-CZ 3.93Å; E1771-R1797 IonicContact OE1-NE 3.72Å; E1771-R1797 IonicContact OE1-NH1 2.73Å; E1771-R1797 PolarHBondContact OE1-NH1 2.84Å; W1773-R1797 HydrophobicContact CD2-CG 4.27Å; W1773-R1797 HydrophobicContact CZ2-CG 3.93Å; E1779-R1797 IonicContact OE2-NH2 3.88Å; E1779-R1797 PolarHBondContact OE2-NH2 2.72Å; R1797-H1799 PolarHBondContact O-N 2.97Å; R1797-H1799 VanDerWaalsContact O-N 3.13Å |
| 1798 | V | 91.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 113.4 | 169.4 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | L1726 V1765 V1801 F1809 | L1726-V1798 HydrophobicContact CD2-CG2 3.59Å; L1726-V1798 HydrophobicContact CG-CG2 4.38Å; V1765-V1798 HydrophobicContact CG1-CG1 4.06Å; V1798-V1801 HydrophobicContact CG1-CG2 3.75Å; V1798-F1809 HydrophobicContact CB-CE1 4.22Å; V1798-F1809 HydrophobicContact CG1-CD1 3.88Å; V1798-F1809 HydrophobicContact CG1-CE1 3.76Å |
| 1799 | H | 87.2 | Confident | 90.6 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -47.2 | 178.6 | 176.4 | 54.5 | 0 | 0 | 0 | 110.7 | K459 E1766 D1768 R1797 V1810 D1811 | K459-H1799 PolarHBondContact NZ-CE1 2.88Å; K459-H1799 PolarHBondContact NZ-NE2 2.97Å; E1766-H1799 WeakPolarHBondContact O-CB 3.29Å; E1766-H1799 PolarHBondContact O-N 3.1Å; E1766-H1799 IonicContact OE2-CD2 2.68Å; D1768-H1799 HydrophobicContact CB-CB 4.44Å; R1797-H1799 PolarHBondContact O-N 2.97Å; R1797-H1799 VanDerWaalsContact O-N 3.13Å; H1799-V1810 WeakPolarHBondContact O-CA 3.41Å; H1799-D1811 IonicContact CE1-OD1 3.03Å; H1799-D1811 PolarHBondContact CE1-OD1 2.87Å; H1799-D1811 IonicContact CE1-OD2 3.02Å; H1799-D1811 IonicContact ND1-OD1 3.72Å; H1799-D1811 PolarHBondContact ND1-OD1 3.45Å; H1799-D1811 PolarHBondContact O-N 2.89Å |
| 1800 | R | 90.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 144.8 | -176.7 | -171 | -178.3 | -70.3 | 150.9 | -6.5 | 111.4 | S476 E477 T1466 V1765 E1766 V1802 V1807 F1809 V1810 | S476-R1800 PolarHBondContact O-NH2 2.88Å; S476-R1800 PolarHBondContact OG-NH2 3.02Å; E477-R1800 IonicContact OE1-NH2 2.65Å; E477-R1800 PolarHBondContact OE1-NH2 2.81Å; T1466-R1800 PolarHBondContact OG1-NH1 3.43Å; V1765-R1800 CarbonylContact C-O 3.52Å; V1765-R1800 WeakPolarHBondContact CA-O 3.43Å; E1766-R1800 HydrophobicContact CB-CB 3.99Å; E1766-R1800 HydrophobicContact CG-CB 4.3Å; E1766-R1800 PolarHBondContact N-O 2.82Å; E1766-R1800 PolarHBondContact O-N 2.74Å; E1766-R1800 VanDerWaalsContact O-N 3.12Å; E1766-R1800 IonicContact OE1-NH1 3.11Å; E1766-R1800 PolarHBondContact OE1-NH1 3.48Å; E1766-R1800 WeakPolarHBondContact OE2-CD 3.46Å; E1766-R1800 IonicContact OE2-CZ 3.18Å; E1766-R1800 IonicContact OE2-NE 2.71Å; E1766-R1800 IonicContact OE2-NH1 2.68Å; E1766-R1800 PolarHBondContact OE2-NH1 3.26Å; R1800-V1802 HydrophobicContact CG-CG2 4.17Å; R1800-V1807 HydrophobicContact CG-CG1 3.86Å; R1800-F1809 CarbonylContact C-O 3.54Å; R1800-F1809 VanDerWaalsContact CA-O 3.3Å; R1800-F1809 WeakPolarHBondContact CA-O 3.37Å; R1800-F1809 WeakPolarHBondContact CG-O 3.21Å; R1800-V1810 HydrophobicContact CG-CB 4.5Å |
| 1801 | V | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122 | 166.4 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | L1508 T1513 V1765 V1798 A1808 F1809 | L1508-V1801 HydrophobicContact CD2-CB 4.44Å; L1508-V1801 HydrophobicContact CD2-CG1 3.86Å; L1508-V1801 WeakPolarHBondContact O-CG2 3.47Å; T1513-V1801 HydrophobicContact CG2-CG1 3.39Å; V1765-V1801 HydrophobicContact CG1-CG2 4.32Å; V1765-V1801 HydrophobicContact CG2-CG1 4.46Å; V1765-V1801 HydrophobicContact CG2-CG2 4.33Å; V1798-V1801 HydrophobicContact CG1-CG2 3.75Å; V1801-A1808 PolarHBondContact O-N 2.89Å; V1801-F1809 HydrophobicContact CB-CB 3.99Å; V1801-F1809 HydrophobicContact CG2-CB 4.11Å; V1801-F1809 HydrophobicContact CG2-CD1 4.21Å; V1801-F1809 PolarHBondContact N-O 2.75Å; V1801-F1809 PolarHBondContact O-N 2.9Å |
| 1802 | V | 90.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.2 | 171.5 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | T1763 Y1764 R1800 E1806 V1807 | T1763-V1802 CarbonylContact C-O 3.47Å; T1763-V1802 WeakPolarHBondContact CA-O 3.38Å; T1763-V1802 WeakPolarHBondContact CG2-O 3.38Å; Y1764-V1802 HydrophobicContact CD1-CB 3.94Å; Y1764-V1802 HydrophobicContact CD1-CG1 4.29Å; Y1764-V1802 HydrophobicContact CD2-CB 4.36Å; Y1764-V1802 HydrophobicContact CD2-CG2 4.38Å; Y1764-V1802 HydrophobicContact CE1-CB 3.63Å; Y1764-V1802 HydrophobicContact CE1-CG1 3.79Å; Y1764-V1802 HydrophobicContact CE1-CG2 3.87Å; Y1764-V1802 HydrophobicContact CE2-CB 4.08Å; Y1764-V1802 HydrophobicContact CE2-CG2 3.69Å; Y1764-V1802 HydrophobicContact CG-CB 4.31Å; Y1764-V1802 VanDerWaalsContact CZ-CG2 3.41Å; Y1764-V1802 PolarHBondContact N-O 3.19Å; Y1764-V1802 PolarHBondContact O-N 3.01Å; Y1764-V1802 WeakPolarHBondContact OH-CG2 3.48Å; R1800-V1802 HydrophobicContact CG-CG2 4.17Å; V1802-E1806 CarbonylContact C-O 3.53Å; V1802-E1806 WeakPolarHBondContact CA-O 3.47Å; V1802-V1807 HydrophobicContact CG2-CG2 4.27Å |
| 1803 | L | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 110.7 | -179.8 | -179.7 | 61.7 | 0 | 0 | 0 | 108.7 | C1544 T1763 G1805 E1806 A1808 F1820 | C1544-L1803 HydrophobicContact CB-CD2 4.3Å; T1763-L1803 HydrophobicContact CG2-CD1 3.92Å; L1803-G1805 VanDerWaalsContact C-N 3.31Å; L1803-G1805 PolarHBondContact O-N 3.34Å; L1803-E1806 PolarHBondContact N-O 3.08Å; L1803-E1806 PolarHBondContact O-N 2.8Å; L1803-E1806 VanDerWaalsContact O-N 3.1Å; L1803-A1808 HydrophobicContact CB-CB 3.87Å; L1803-F1820 HydrophobicContact CB-CE1 4.29Å; L1803-F1820 HydrophobicContact CD2-CD1 3.97Å; L1803-F1820 HydrophobicContact CD2-CE1 3.82Å; L1803-F1820 HydrophobicContact CG-CE1 4.03Å |
| 1804 | R | 89.7 | Confident | 89.1 | Confident | 64 Ų | 64 | 26.9 Ų | 26.9 | 24% | 0.242 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 45.6 | -178 | -54.7 | -177.5 | -59.8 | -81.8 | 4.1 | 112.9 | D1545 T1763 E1806 F1820 | D1545-R1804 IonicContact OD1-CZ 2.68Å; D1545-R1804 IonicContact OD1-NH1 3.89Å; D1545-R1804 PolarHBondContact OD1-NH1 2.86Å; D1545-R1804 IonicContact OD2-NH1 3.25Å; D1545-R1804 PolarHBondContact OD2-NH1 2.88Å; T1763-R1804 PolarHBondContact OG1-N 2.93Å; R1804-E1806 VanDerWaalsContact C-N 3.26Å; R1804-E1806 PolarHBondContact O-N 2.88Å; R1804-F1820 PolarHBondContact NH2-O 2.94Å |
| 1805 | G | 82.9 | Confident | 88.9 | Confident | 37 Ų | 37 | 28.9 Ų | 28.9 | 38% | 0.381 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -11.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q1762 L1803 | Q1762-G1805 PolarHBondContact O-N 2.97Å; L1803-G1805 VanDerWaalsContact C-N 3.31Å; L1803-G1805 PolarHBondContact O-N 3.34Å |
| 1806 | E | 86.9 | Confident | 88.9 | Confident | 97 Ų | 97 | 26.8 Ų | 26.8 | 45% | 0.453 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.3 | 177.4 | -69.8 | -62.3 | 155.5 | 0 | 0 | 111.8 | V1802 L1803 R1804 A1808 F1820 | V1802-E1806 CarbonylContact C-O 3.53Å; V1802-E1806 WeakPolarHBondContact CA-O 3.47Å; L1803-E1806 PolarHBondContact N-O 3.08Å; L1803-E1806 PolarHBondContact O-N 2.8Å; L1803-E1806 VanDerWaalsContact O-N 3.1Å; R1804-E1806 VanDerWaalsContact C-N 3.26Å; R1804-E1806 PolarHBondContact O-N 2.88Å; E1806-A1808 PolarHBondContact O-N 3.26Å; E1806-F1820 HydrophobicContact CB-CE1 4.48Å; E1806-F1820 HydrophobicContact CB-CE2 4.37Å; E1806-F1820 HydrophobicContact CB-CZ 3.72Å; E1806-F1820 HydrophobicContact CG-CE2 4.22Å; E1806-F1820 HydrophobicContact CG-CZ 3.91Å |
| 1807 | V | 87.3 | Confident | 88.9 | Confident | 37 Ų | 37 | 33.3 Ų | 33.3 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 103.9 | 175 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | R1800 V1802 V1810 L1815 | R1800-V1807 HydrophobicContact CG-CG1 3.86Å; V1802-V1807 HydrophobicContact CG2-CG2 4.27Å; V1807-V1810 HydrophobicContact CG1-CB 4.09Å; V1807-V1810 HydrophobicContact CG1-CG1 4.37Å; V1807-L1815 HydrophobicContact CB-CD1 4.3Å; V1807-L1815 HydrophobicContact CG1-CD1 3.95Å |
| 1808 | A | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -35.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1508 V1801 L1803 E1806 L1815 V1816 | L1508-A1808 HydrophobicContact CD1-CB 3.95Å; L1508-A1808 HydrophobicContact CD2-CB 3.76Å; L1508-A1808 HydrophobicContact CG-CB 4.48Å; V1801-A1808 PolarHBondContact O-N 2.89Å; L1803-A1808 HydrophobicContact CB-CB 3.87Å; E1806-A1808 PolarHBondContact O-N 3.26Å; A1808-L1815 PolarHBondContact O-N 2.98Å; A1808-V1816 HydrophobicContact CB-CG1 3.96Å; A1808-V1816 HydrophobicContact CB-CG2 3.79Å |
| 1809 | F | 92.4 | Very high | 89 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142.1 | 177 | 173.5 | -89.4 | 0 | 0 | 0 | 110.5 | L1508 A1509 V1798 R1800 V1801 G1812 Q1813 V1814 | L1508-F1809 HydrophobicContact CB-CB 4.03Å; A1509-F1809 VanDerWaalsContact CA-CE2 3.49Å; A1509-F1809 HydrophobicContact CB-CD2 4.06Å; A1509-F1809 HydrophobicContact CB-CE2 3.48Å; A1509-F1809 VanDerWaalsContact CB-CE2 3.48Å; A1509-F1809 HydrophobicContact CB-CZ 3.91Å; V1798-F1809 HydrophobicContact CB-CE1 4.22Å; V1798-F1809 HydrophobicContact CG1-CD1 3.88Å; V1798-F1809 HydrophobicContact CG1-CE1 3.76Å; R1800-F1809 CarbonylContact C-O 3.54Å; R1800-F1809 VanDerWaalsContact CA-O 3.3Å; R1800-F1809 WeakPolarHBondContact CA-O 3.37Å; R1800-F1809 WeakPolarHBondContact CG-O 3.21Å; V1801-F1809 HydrophobicContact CB-CB 3.99Å; V1801-F1809 HydrophobicContact CG2-CB 4.11Å; V1801-F1809 HydrophobicContact CG2-CD1 4.21Å; V1801-F1809 PolarHBondContact N-O 2.75Å; V1801-F1809 PolarHBondContact O-N 2.9Å; F1809-G1812 VanDerWaalsContact CE2-C 3.5Å; F1809-G1812 VanDerWaalsContact CE2-CA 3.48Å; F1809-G1812 VanDerWaalsContact CZ-N 3.28Å; F1809-Q1813 CarbonylContact C-O 3.58Å; F1809-Q1813 VanDerWaalsContact CA-O 3.27Å; F1809-Q1813 WeakPolarHBondContact CA-O 3.21Å; F1809-Q1813 WeakPolarHBondContact CD2-O 3.49Å; F1809-V1814 HydrophobicContact CD2-CG2 3.8Å; F1809-V1814 HydrophobicContact CE2-CG2 4.47Å |
| 1810 | V | 87.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 132.3 | 172.5 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | R478 H1799 R1800 V1807 G1812 Q1813 L1815 | R478-V1810 HydrophobicContact CB-CG1 4.45Å; R478-V1810 HydrophobicContact CG-CG1 3.53Å; H1799-V1810 WeakPolarHBondContact O-CA 3.41Å; R1800-V1810 HydrophobicContact CG-CB 4.5Å; V1807-V1810 HydrophobicContact CG1-CB 4.09Å; V1807-V1810 HydrophobicContact CG1-CG1 4.37Å; V1810-G1812 VanDerWaalsContact C-N 3.31Å; V1810-G1812 PolarHBondContact O-N 3.23Å; V1810-G1812 VanDerWaalsContact O-N 3.15Å; V1810-Q1813 PolarHBondContact N-O 3.28Å; V1810-Q1813 WeakPolarHBondContact O-CB 2.69Å; V1810-Q1813 PolarHBondContact O-N 3.43Å; V1810-L1815 HydrophobicContact CG1-CD1 3.69Å; V1810-L1815 HydrophobicContact CG1-CG 4.16Å |
| 1811 | D | 78.9 | Confident | 89.5 | Confident | 52 Ų | 52 | 37.7 Ų | 37.7 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 47.2 | 173.9 | -61.3 | -42.1 | 0 | 0 | 0 | 114.9 | K405 H1799 Q1813 | K405-D1811 IonicContact NZ-OD2 2.62Å; K405-D1811 PolarHBondContact NZ-OD2 3.15Å; H1799-D1811 IonicContact CE1-OD1 3.03Å; H1799-D1811 PolarHBondContact CE1-OD1 2.87Å; H1799-D1811 IonicContact CE1-OD2 3.02Å; H1799-D1811 IonicContact ND1-OD1 3.72Å; H1799-D1811 PolarHBondContact ND1-OD1 3.45Å; H1799-D1811 PolarHBondContact O-N 2.89Å; D1811-Q1813 VanDerWaalsContact C-N 3.3Å; D1811-Q1813 PolarHBondContact O-N 3.09Å |
| 1812 | G | 82.3 | Confident | 89.4 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 22% | 0.216 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 0.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | K1781 F1809 V1810 | K1781-G1812 WeakPolarHBondContact CE-O 3.47Å; K1781-G1812 PolarHBondContact NZ-O 3.37Å; F1809-G1812 VanDerWaalsContact CE2-C 3.5Å; F1809-G1812 VanDerWaalsContact CE2-CA 3.48Å; F1809-G1812 VanDerWaalsContact CZ-N 3.28Å; V1810-G1812 VanDerWaalsContact C-N 3.31Å; V1810-G1812 PolarHBondContact O-N 3.23Å; V1810-G1812 VanDerWaalsContact O-N 3.15Å |
| 1813 | Q | 85.8 | Confident | 89.5 | Confident | 88 Ų | 88 | 42.1 Ų | 42.1 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.3 | 177.9 | -59.9 | -175.1 | 7 | 0 | 0 | 111.6 | F1809 V1810 D1811 L1815 | F1809-Q1813 CarbonylContact C-O 3.58Å; F1809-Q1813 VanDerWaalsContact CA-O 3.27Å; F1809-Q1813 WeakPolarHBondContact CA-O 3.21Å; F1809-Q1813 WeakPolarHBondContact CD2-O 3.49Å; V1810-Q1813 PolarHBondContact N-O 3.28Å; V1810-Q1813 WeakPolarHBondContact O-CB 2.69Å; V1810-Q1813 PolarHBondContact O-N 3.43Å; D1811-Q1813 VanDerWaalsContact C-N 3.3Å; D1811-Q1813 PolarHBondContact O-N 3.09Å; Q1813-L1815 HydrophobicContact CB-CD2 4.38Å |
| 1814 | V | 90.3 | Very high | 89.3 | Confident | 29 Ų | 29 | 43 Ų | 43 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 115.9 | 171.7 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | A1505 L1508 K1781 F1809 V1816 | A1505-V1814 HydrophobicContact CB-CG1 4.31Å; A1505-V1814 HydrophobicContact CB-CG2 3.98Å; L1508-V1814 HydrophobicContact CD1-CG1 3.92Å; K1781-V1814 HydrophobicContact CG-CG2 4.27Å; F1809-V1814 HydrophobicContact CD2-CG2 3.8Å; F1809-V1814 HydrophobicContact CE2-CG2 4.47Å; V1814-V1816 HydrophobicContact CG1-CG2 4.1Å |
| 1815 | L | 89 | Confident | 88.9 | Confident | 44 Ų | 44 | 41.7 Ų | 41.7 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | trans | -93.8 | -28.9 | -172.7 | -60.6 | -177.6 | 0 | 0 | 0 | 113.4 | V1807 A1808 V1810 Q1813 | V1807-L1815 HydrophobicContact CB-CD1 4.3Å; V1807-L1815 HydrophobicContact CG1-CD1 3.95Å; A1808-L1815 PolarHBondContact O-N 2.98Å; V1810-L1815 HydrophobicContact CG1-CD1 3.69Å; V1810-L1815 HydrophobicContact CG1-CG 4.16Å; Q1813-L1815 HydrophobicContact CB-CD2 4.38Å | ||
| 1816 | V | 92 | Very high | 87.8 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -74.9 | 138 | 177.6 | -75.1 | 0 | 0 | 0 | 0 | 110.8 | L1508 R1543 A1808 V1814 F1820 | L1508-V1816 HydrophobicContact CD1-CG2 3.57Å; R1543-V1816 HydrophobicContact CB-CG2 3.95Å; R1543-V1816 PolarHBondContact NH1-O 3.45Å; A1808-V1816 HydrophobicContact CB-CG1 3.96Å; A1808-V1816 HydrophobicContact CB-CG2 3.79Å; V1814-V1816 HydrophobicContact CG1-CG2 4.1Å; V1816-F1820 HydrophobicContact CB-CB 3.91Å; V1816-F1820 HydrophobicContact CB-CD1 3.91Å; V1816-F1820 HydrophobicContact CB-CG 3.86Å; V1816-F1820 HydrophobicContact CG1-CB 4.27Å; V1816-F1820 HydrophobicContact CG1-CD1 3.49Å; V1816-F1820 VanDerWaalsContact CG1-CD1 3.49Å; V1816-F1820 HydrophobicContact CG1-CD2 4.04Å; V1816-F1820 HydrophobicContact CG1-CE1 3.74Å; V1816-F1820 HydrophobicContact CG1-CE2 4.27Å; V1816-F1820 HydrophobicContact CG1-CG 3.66Å; V1816-F1820 HydrophobicContact CG1-CZ 4.13Å; V1816-F1820 HydrophobicContact CG2-CD1 4.4Å |
| 1817 | Q | 91.8 | Very high | 86 | Confident | 138 Ų | 138 | 45.8 Ų | 45.8 | 65% | 0.645 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -78.4 | 156 | 177.7 | -61.4 | -59.5 | -22.9 | 0 | 0 | 110.9 | G1819 F1820 | Q1817-G1819 PolarHBondContact O-N 2.88Å; Q1817-F1820 WeakPolarHBondContact O-CB 3.21Å; Q1817-F1820 PolarHBondContact O-N 3.45Å |
| 1818 | P | 93.1 | Very high | 83.5 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 37% | 0.37 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 134 | 168.3 | -25.3 | 35.4 | 0 | 0 | 0 | 111.3 | A1501 A1540 G1541 | A1501-P1818 HydrophobicContact CB-CB 4.03Å; A1501-P1818 HydrophobicContact CB-CG 3.93Å; A1540-P1818 CarbonylContact O-C 3.35Å; G1541-P1818 WeakPolarHBondContact O-CA 3.47Å; G1541-P1818 WeakPolarHBondContact O-CB 3.06Å |
| 1819 | G | 92.2 | Very high | 80.6 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | 1.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1539 A1540 A1542 Q1817 | K1539-G1819 VanDerWaalsContact O-CA 3.29Å; K1539-G1819 WeakPolarHBondContact O-CA 3.4Å; A1540-G1819 WeakPolarHBondContact O-CA 3.41Å; A1540-G1819 PolarHBondContact O-N 2.92Å; A1540-G1819 VanDerWaalsContact O-N 3.12Å; A1542-G1819 CarbonylContact O-C 3.57Å; A1542-G1819 WeakPolarHBondContact O-CA 2.66Å; A1542-G1819 PolarHBondContact O-N 3.23Å; Q1817-G1819 PolarHBondContact O-N 2.88Å |
| 1820 | F | 94.4 | Very high | 77.8 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 28% | 0.276 | 35% | 0.348 | S | S | . | . | trans | -72.2 | -31.3 | 171.7 | -174.6 | -98.6 | 0 | 0 | 0 | 112.9 | A1542 L1803 R1804 E1806 V1816 Q1817 | A1542-F1820 PolarHBondContact O-N 3.03Å; A1542-F1820 VanDerWaalsContact O-N 3.11Å; L1803-F1820 HydrophobicContact CB-CE1 4.29Å; L1803-F1820 HydrophobicContact CD2-CD1 3.97Å; L1803-F1820 HydrophobicContact CD2-CE1 3.82Å; L1803-F1820 HydrophobicContact CG-CE1 4.03Å; R1804-F1820 PolarHBondContact NH2-O 2.94Å; E1806-F1820 HydrophobicContact CB-CE1 4.48Å; E1806-F1820 HydrophobicContact CB-CE2 4.37Å; E1806-F1820 HydrophobicContact CB-CZ 3.72Å; E1806-F1820 HydrophobicContact CG-CE2 4.22Å; E1806-F1820 HydrophobicContact CG-CZ 3.91Å; V1816-F1820 HydrophobicContact CB-CB 3.91Å; V1816-F1820 HydrophobicContact CB-CD1 3.91Å; V1816-F1820 HydrophobicContact CB-CG 3.86Å; V1816-F1820 HydrophobicContact CG1-CB 4.27Å; V1816-F1820 HydrophobicContact CG1-CD1 3.49Å; V1816-F1820 VanDerWaalsContact CG1-CD1 3.49Å; V1816-F1820 HydrophobicContact CG1-CD2 4.04Å; V1816-F1820 HydrophobicContact CG1-CE1 3.74Å; V1816-F1820 HydrophobicContact CG1-CE2 4.27Å; V1816-F1820 HydrophobicContact CG1-CG 3.66Å; V1816-F1820 HydrophobicContact CG1-CZ 4.13Å; V1816-F1820 HydrophobicContact CG2-CD1 4.4Å; Q1817-F1820 WeakPolarHBondContact O-CB 3.21Å; Q1817-F1820 PolarHBondContact O-N 3.45Å | ||
| 1821 | G | 93.2 | Very high | 75 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | trans | -63.8 | 143.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1542 C1544 | A1542-G1821 PolarHBondContact O-N 3.2Å; C1544-G1821 WeakPolarHBondContact O-CA 3.48Å | ||
| 1822 | Q | 92 | Very high | 72.6 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 36% | 0.36 | 41% | 0.409 | S | S | . | . | trans | -115.7 | 144.5 | 178.8 | -61.1 | -175.3 | 5.9 | 0 | 0 | 111.2 | D1545 Y1546 V1824 | D1545-Q1822 WeakPolarHBondContact CA-O 3.46Å; D1545-Q1822 WeakPolarHBondContact OD1-CB 3.47Å; D1545-Q1822 PolarHBondContact OD1-N 2.85Å; Y1546-Q1822 PolarHBondContact N-O 2.63Å; Q1822-V1824 PolarHBondContact O-N 2.62Å | ||
| 1823 | N | 91.7 | Very high | 70 | Confident | 21 Ų | 21 | 77.8 Ų | 77.8 | 11% | 0.112 | 44% | 0.44 | C | S | . | . | B | Isolated β-bridge | trans | -70.6 | 122.9 | 166 | -170 | -21.9 | 0 | 0 | 0 | 109.5 | Y1546 R1825 P1826 | Y1546-N1823 HydrophobicContact CD2-CB 4.26Å; Y1546-N1823 HydrophobicContact CE2-CB 3.57Å; Y1546-N1823 WeakPolarHBondContact O-CA 3.47Å; N1823-R1825 PolarHBondContact OD1-N 3.22Å; N1823-R1825 VanDerWaalsContact OD1-N 3.07Å; N1823-P1826 HydrophobicContact CB-CG 4.29Å; N1823-P1826 WeakPolarHBondContact O-CD 3.14Å; N1823-P1826 WeakPolarHBondContact OD1-CD 3.49Å |
| 1824 | V | 89.6 | Confident | 67.2 | Low | 18 Ų | 18 | 82.2 Ų | 82.2 | 11% | 0.109 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -81.4 | -10 | -176.1 | -61.7 | 0 | 0 | 0 | 0 | 114.6 | L1514 D1545 Y1546 A1547 L1757 P1758 Q1822 | L1514-V1824 HydrophobicContact CD1-CG1 3.76Å; L1514-V1824 HydrophobicContact CD1-CG2 3.97Å; L1514-V1824 HydrophobicContact CD2-CG2 4.43Å; D1545-V1824 HydrophobicContact CB-CG1 3.91Å; Y1546-V1824 PolarHBondContact O-N 2.81Å; Y1546-V1824 VanDerWaalsContact O-N 3.11Å; A1547-V1824 HydrophobicContact CB-CG2 3.87Å; L1757-V1824 HydrophobicContact CD2-CG2 4.03Å; P1758-V1824 HydrophobicContact CG-CB 3.76Å; P1758-V1824 HydrophobicContact CG-CG1 4.37Å; P1758-V1824 HydrophobicContact CG-CG2 4.5Å; Q1822-V1824 PolarHBondContact O-N 2.62Å |
| 1825 | R | 80.3 | Confident | 64.1 | Low | 37 Ų | 37 | 85 Ų | 85 | 14% | 0.14 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -82.6 | -41.9 | -177.2 | -81.8 | -72 | -164.4 | -135.9 | -9 | 116.2 | H1566 A1567 C1568 F1755 N1756 N1823 K1827 | H1566-R1825 WeakPolarHBondContact O-CB 3.44Å; H1566-R1825 WeakPolarHBondContact O-CG 3.46Å; A1567-R1825 PolarHBondContact O-NE 2.87Å; C1568-R1825 PolarHBondContact O-NH2 2.95Å; F1755-R1825 PolarHBondContact O-NH2 2.77Å; N1756-R1825 PolarHBondContact O-NH1 2.82Å; N1823-R1825 PolarHBondContact OD1-N 3.22Å; N1823-R1825 VanDerWaalsContact OD1-N 3.07Å; R1825-K1827 PolarHBondContact O-N 2.89Å; R1825-K1827 VanDerWaalsContact O-N 3.08Å |
| 1826 | P | 60.6 | Low | 61.1 | Low | 80 Ų | 80 | 88.3 Ų | 88.3 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -65.3 | -12.7 | -174.9 | -22.4 | 32.2 | 0 | 0 | 0 | 115.7 | N1823 Q1828 | N1823-P1826 HydrophobicContact CB-CG 4.29Å; N1823-P1826 WeakPolarHBondContact O-CD 3.14Å; N1823-P1826 WeakPolarHBondContact OD1-CD 3.49Å; P1826-Q1828 PolarHBondContact O-N 3.31Å |
| 1827 | K | 49.6 | Very low | 57.8 | Low | 141 Ų | 141 | 96.3 Ų | 96.3 | 61% | 0.613 | 55% | 0.551 | S | S | * | * | trans | -86.5 | 83.8 | 179.5 | -81.6 | 179.1 | 172.9 | 168.4 | 0 | 111.8 | R1825 | R1825-K1827 PolarHBondContact O-N 2.89Å; R1825-K1827 VanDerWaalsContact O-N 3.08Å | ||
| 1828 | Q | 34 | Very low | 54.6 | Low | 190 Ų | 190 | 97 Ų | 97 | 89% | 0.888 | 56% | 0.559 | S | S | * | * | trans | -105.4 | 88.4 | 142.7 | -81.5 | -172.2 | -7.6 | 0 | 0 | 107.9 | P1826 | P1826-Q1828 PolarHBondContact O-N 3.31Š| ||
| 1829 | S | 32.4 | Very low | 51.4 | Low | 95 Ų | 95 | 102.4 Ų | 102.4 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | trans | -77.9 | 140.5 | 160.1 | -52.1 | 0 | 0 | 0 | 0 | 107.9 | L1831 | S1829-L1831 PolarHBondContact O-N 3.47Š| ||
| 1830 | P | 32 | Very low | 48.2 | Very low | 125 Ų | 125 | 108.3 Ų | 108.3 | 81% | 0.812 | 61% | 0.606 | S | S | * | * | trans | -62.2 | 130.7 | -178.3 | 24.2 | -30 | 0 | 0 | 0 | 109.6 | A1832 | P1830-A1832 PolarHBondContact O-N 3.4Š| ||
| 1831 | L | 30.2 | Very low | 44.9 | Very low | 178 Ų | 178 | 110.8 Ų | 110.8 | 93% | 0.932 | 63% | 0.629 | S | S | * | * | trans | -43.7 | 106 | 175 | -81.2 | 144.1 | 0 | 0 | 0 | 110.2 | S1829 S1833 | S1829-L1831 PolarHBondContact O-N 3.47Å; L1831-S1833 PolarHBondContact O-N 3.13Å | ||
| 1832 | A | 28.3 | Very low | 41.7 | Very low | 78 Ų | 78 | 115 Ų | 115 | 65% | 0.645 | 66% | 0.657 | S | S | * | * | trans | -66.1 | 124.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | P1830 E1834 | P1830-A1832 PolarHBondContact O-N 3.4Å; A1832-E1834 PolarHBondContact O-N 2.94Å | ||
| 1833 | S | 26.5 | Very low | 38.8 | Very low | 124 Ų | 124 | 118.3 Ų | 118.3 | 87% | 0.867 | 68% | 0.678 | S | S | * | * | trans | -66.3 | 83.4 | 170.4 | 56.6 | 0 | 0 | 0 | 0 | 108.7 | L1831 A1835 | L1831-S1833 PolarHBondContact O-N 3.13Å; S1833-A1835 PolarHBondContact O-N 2.73Å | ||
| 1834 | E | 27.8 | Very low | 35.8 | Very low | 180 Ų | 180 | 124.1 Ų | 124.1 | 84% | 0.841 | 71% | 0.708 | S | S | * | * | trans | -80.4 | 119.2 | 170.5 | -79.6 | -175 | 163.6 | 0 | 0 | 108.9 | A1832 | A1832-E1834 PolarHBondContact O-N 2.94Š| ||
| 1835 | A | 26.1 | Very low | 32.9 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | trans | -49.6 | 145.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S1833 Q1837 | S1833-A1835 PolarHBondContact O-N 2.73Å; A1835-Q1837 VanDerWaalsContact C-N 3.26Å; A1835-Q1837 PolarHBondContact O-N 3.09Å | ||
| 1836 | S | 24.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -51.1 | 88.3 | 168.6 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | D1838 | S1836-D1838 PolarHBondContact O-N 2.89Š| ||
| 1837 | Q | 24.5 | Very low | 29 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -70.9 | 116.5 | 153.3 | -78.8 | -173.3 | -17.4 | 0 | 0 | 105.2 | A1835 L1839 | A1835-Q1837 VanDerWaalsContact C-N 3.26Å; A1835-Q1837 PolarHBondContact O-N 3.09Å; Q1837-L1839 PolarHBondContact O-N 3.06Å | ||
| 1838 | D | 24.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -48.8 | 103 | 172.7 | -70.4 | -45.5 | 0 | 0 | 0 | 108.4 | S1836 L1840 | S1836-D1838 PolarHBondContact O-N 2.89Å; D1838-L1840 VanDerWaalsContact C-N 3.34Å; D1838-L1840 PolarHBondContact O-N 3.06Å | ||
| 1839 | L | 25.1 | Very low | 27.9 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | trans | -63.1 | 100.3 | 173.1 | -77.2 | 166.6 | 0 | 0 | 0 | 106.1 | Q1837 | Q1837-L1839 PolarHBondContact O-N 3.06Š| ||
| 1840 | L | 24.2 | Very low | 28 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 124.4 | 162.7 | -72.5 | 166 | 0 | 0 | 0 | 106.9 | D1838 S1842 | D1838-L1840 VanDerWaalsContact C-N 3.34Å; D1838-L1840 PolarHBondContact O-N 3.06Å; L1840-S1842 PolarHBondContact O-N 2.95Å |
| 1841 | P | 25.3 | Very low | 28 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 130.3 | -175.7 | 18.1 | -27.8 | 0 | 0 | 0 | 109.9 | ||
| 1842 | S | 26.8 | Very low | 28 | Very low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 137 | -174.9 | 66.2 | 0 | 0 | 0 | 0 | 112 | L1840 N1844 | L1840-S1842 PolarHBondContact O-N 2.95Å; S1842-N1844 PolarHBondContact O-N 3.41Å |
| 1843 | D | 31.6 | Very low | 28 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 14 | -169.8 | -66.2 | -48 | 0 | 0 | 0 | 118.9 | ||
| 1844 | N | 29.2 | Very low | 28.2 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 0.3 | -174.2 | -79.1 | -28.6 | 0 | 0 | 0 | 116.6 | S1842 | S1842-N1844 PolarHBondContact O-N 3.41Š|
| 1845 | D | 28.1 | Very low | 28.4 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -101.6 | 7.5 | -179.1 | -78.5 | -19.3 | 0 | 0 | 0 | 115 | T1849 | D1845-T1849 PolarHBondContact O-N 2.81Å; D1845-T1849 PolarHBondContact O-OG1 3.13Å |
| 1846 | A | 29.2 | Very low | 28.6 | Very low | 73 Ų | 73 | 124.7 Ų | 124.7 | 60% | 0.603 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68 | -37.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1850 | A1846-F1850 PolarHBondContact O-N 3.07Å |
| 1847 | N | 29 | Very low | 28.8 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -75.1 | -31.7 | -177.8 | -83.6 | -15.5 | 0 | 0 | 0 | 113.5 | T1851 | N1847-T1851 PolarHBondContact O-OG1 3.15Å |
| 1848 | D | 31.5 | Very low | 29 | Very low | 108 Ų | 108 | 123 Ų | 123 | 58% | 0.578 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.4 | -25.4 | -179 | -119.4 | 20.4 | 0 | 0 | 0 | 112.3 | ||
| 1849 | T | 28.9 | Very low | 29.1 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -77.1 | -32.2 | 175.9 | -48 | 0 | 0 | 0 | 0 | 111.7 | D1845 R1852 | D1845-T1849 PolarHBondContact O-N 2.81Å; D1845-T1849 PolarHBondContact O-OG1 3.13Å; T1849-R1852 PolarHBondContact O-N 3.37Å |
| 1850 | F | 34.3 | Very low | 29.2 | Very low | 77 Ų | 77 | 117.8 Ų | 117.8 | 34% | 0.338 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -77.1 | -35 | -175.7 | -156.7 | -104.9 | 0 | 0 | 0 | 113.6 | D1265 A1846 R1852 L1853 L1854 | D1265-F1850 HydrophobicContact CB-CE1 4.12Å; D1265-F1850 HydrophobicContact CB-CE2 4.32Å; D1265-F1850 HydrophobicContact CB-CZ 3.56Å; A1846-F1850 PolarHBondContact O-N 3.07Å; F1850-R1852 PolarHBondContact O-N 2.77Å; F1850-L1853 PolarHBondContact O-N 3.15Å; F1850-L1854 HydrophobicContact CD1-CD1 3.65Å; F1850-L1854 HydrophobicContact CD1-CG 4Å; F1850-L1854 HydrophobicContact CE1-CD1 3.55Å; F1850-L1854 HydrophobicContact CE1-CD2 4.07Å; F1850-L1854 HydrophobicContact CE1-CG 3.79Å; F1850-L1854 HydrophobicContact CZ-CD2 4.46Å; F1850-L1854 HydrophobicContact CZ-CG 4.48Å; F1850-L1854 PolarHBondContact O-N 3.19Å; F1850-L1854 VanDerWaalsContact O-N 3.12Å |
| 1851 | T | 33.3 | Very low | 29.2 | Very low | 94 Ų | 94 | 114.1 Ų | 114.1 | 58% | 0.577 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -61 | -28.4 | 173.7 | -47.5 | 0 | 0 | 0 | 0 | 111.7 | N1847 T1855 | N1847-T1851 PolarHBondContact O-OG1 3.15Å; T1851-T1855 PolarHBondContact O-OG1 3.16Å |
| 1852 | R | 30.6 | Very low | 29 | Very low | 192 Ų | 192 | 112.4 Ų | 112.4 | 73% | 0.725 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -78.9 | -17.3 | 174.3 | -64.6 | -177.8 | -172.7 | 170.5 | 6.4 | 114.1 | T1849 F1850 | T1849-R1852 PolarHBondContact O-N 3.37Å; F1850-R1852 PolarHBondContact O-N 2.77Å |
| 1853 | L | 28.3 | Very low | 28.9 | Very low | 125 Ų | 125 | 115 Ų | 115 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -94.8 | -30.2 | -179.3 | -81.2 | 160.2 | 0 | 0 | 0 | 112.9 | F1850 T1855 | F1850-L1853 PolarHBondContact O-N 3.15Å; L1853-T1855 VanDerWaalsContact C-N 3.3Å |
| 1854 | L | 30.3 | Very low | 28.5 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 66% | 0.66 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -75.5 | -18 | 176.2 | -72.2 | 172.4 | 0 | 0 | 0 | 113.5 | F1850 S1856 | F1850-L1854 HydrophobicContact CD1-CD1 3.65Å; F1850-L1854 HydrophobicContact CD1-CG 4Å; F1850-L1854 HydrophobicContact CE1-CD1 3.55Å; F1850-L1854 HydrophobicContact CE1-CD2 4.07Å; F1850-L1854 HydrophobicContact CE1-CG 3.79Å; F1850-L1854 HydrophobicContact CZ-CD2 4.46Å; F1850-L1854 HydrophobicContact CZ-CG 4.48Å; F1850-L1854 PolarHBondContact O-N 3.19Å; F1850-L1854 VanDerWaalsContact O-N 3.12Å; L1854-S1856 PolarHBondContact O-N 2.97Å |
| 1855 | T | 31 | Very low | 28.2 | Very low | 97 Ų | 97 | 113.9 Ų | 113.9 | 60% | 0.595 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -87.5 | 92.5 | 171.9 | 44.6 | 0 | 0 | 0 | 0 | 108.8 | T1851 L1853 E1857 | T1851-T1855 PolarHBondContact O-OG1 3.16Å; L1853-T1855 VanDerWaalsContact C-N 3.3Å; T1855-E1857 VanDerWaalsContact C-N 3.28Å; T1855-E1857 PolarHBondContact O-N 3.01Å |
| 1856 | S | 31.7 | Very low | 28.1 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -69.3 | 77.9 | 179.8 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | L1854 | L1854-S1856 PolarHBondContact O-N 2.97Š| ||
| 1857 | E | 26.9 | Very low | 27.7 | Very low | 189 Ų | 189 | 117.3 Ų | 117.3 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | -129.8 | 85.9 | 157.7 | -74.5 | -163.9 | 169.3 | 0 | 0 | 109 | T1855 | T1855-E1857 VanDerWaalsContact C-N 3.28Å; T1855-E1857 PolarHBondContact O-N 3.01Å | ||
| 1858 | G | 29.1 | Very low | 27.5 | Very low | 69 Ų | 69 | 116.9 Ų | 116.9 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -68.6 | 136.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G1860 | G1858-G1860 PolarHBondContact O-N 2.94Š| ||
| 1859 | P | 26.7 | Very low | 27 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 92% | 0.922 | 73% | 0.73 | S | S | * | * | trans | -78.9 | 93.9 | -179.1 | 30.7 | -31.1 | 0 | 0 | 0 | 110 | ||||
| 1860 | G | 26.6 | Very low | 26.8 | Very low | 71 Ų | 71 | 122.1 Ų | 122.1 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | -131.7 | 101.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1858 | G1858-G1860 PolarHBondContact O-N 2.94Š| ||
| 1861 | G | 24.1 | Very low | 26.3 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | 64.7 | 101.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1862 | G | 21.8 | Very low | 25.8 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -63.5 | 146.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1863 | V | 25.7 | Very low | 25.6 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -138.7 | 127.7 | 141.7 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1864 | H | 22.8 | Very low | 25.4 | Very low | 195 Ų | 195 | 129.4 Ų | 129.4 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | trans | -54.5 | 145.4 | 179.7 | -74.7 | -81.3 | 0 | 0 | 0 | 114.5 | ||||
| 1865 | G | 22.8 | Very low | 25.3 | Very low | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 142.5 | 104.9 | 138.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1866 | I | 25.1 | Very low | 25.1 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | 91.2 | 97.5 | 149.4 | -50.3 | 173.9 | 0 | 0 | 0 | 117.4 | ||||
| 1867 | S | 20.9 | Very low | 25 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -42.7 | 131.1 | 156.3 | 141.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1868 | T | 24.8 | Very low | 24.9 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -138.8 | 108.7 | 137.3 | 39.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1869 | K | 21.5 | Very low | 24.9 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | trans | -50.5 | 131.3 | 169.6 | -63.4 | 173.1 | 174.2 | -178.7 | 0 | 111 | ||||
| 1870 | V | 24.5 | Very low | 24.8 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -119.4 | 109 | 155.5 | -175.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 1871 | H | 24.6 | Very low | 24.8 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 69% | 0.69 | 81% | 0.811 | S | S | * | * | trans | -68.8 | 126.2 | 178.3 | -87 | -88.2 | 0 | 0 | 0 | 110.1 | V1873 | H1871-V1873 PolarHBondContact O-N 3.2Š| ||
| 1872 | F | 21.8 | Very low | 24.9 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -65.9 | 120.3 | 161.7 | -68.4 | -89.6 | 0 | 0 | 0 | 108.2 | ||||
| 1873 | V | 26.6 | Very low | 25 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -105.8 | 111.5 | 169.3 | 176.1 | 0 | 0 | 0 | 0 | 107.5 | H1871 | H1871-V1873 PolarHBondContact O-N 3.2Š| ||
| 1874 | D | 25 | Very low | 24.9 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -57 | 137.6 | 162.7 | -67.4 | -49.8 | 0 | 0 | 0 | 110.8 | ||||
| 1875 | G | 26.9 | Very low | 25 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 170.2 | 88.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1877 | G1875-N1877 PolarHBondContact O-N 3.41Š| ||
| 1876 | A | 27.5 | Very low | 25.1 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -55.1 | 115.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1877 | N | 29.6 | Very low | 25 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -147.2 | 104.6 | 159 | -97.9 | -28.3 | 0 | 0 | 0 | 109.5 | G1875 L1879 | G1875-N1877 PolarHBondContact O-N 3.41Å; N1877-L1879 PolarHBondContact O-N 3.42Å; N1877-L1879 VanDerWaalsContact O-N 3.09Å | ||
| 1878 | F | 25.6 | Very low | 25.3 | Very low | 210 Ų | 210 | 147.3 Ų | 147.3 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -62.9 | 99.9 | 169.3 | -76.3 | -95.7 | 0 | 0 | 0 | 109.7 | ||||
| 1879 | L | 27.3 | Very low | 25.4 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -118.5 | 124.1 | 160.8 | -77.3 | 170.9 | 0 | 0 | 0 | 109 | N1877 | N1877-L1879 PolarHBondContact O-N 3.42Å; N1877-L1879 VanDerWaalsContact O-N 3.09Å | ||
| 1880 | R | 24.5 | Very low | 25.6 | Very low | 236 Ų | 236 | 148.5 Ų | 148.5 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -47.8 | 134.6 | -175.5 | -67.3 | 176.8 | 175.4 | -175.8 | -2.8 | 111.6 | N1882 | R1880-N1882 PolarHBondContact O-N 2.96Š| ||
| 1881 | P | 27.3 | Very low | 25.6 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -69.3 | 108.8 | 173.9 | 26.8 | -29.6 | 0 | 0 | 0 | 109.1 | S1883 | P1881-S1883 PolarHBondContact O-N 3.41Š| ||
| 1882 | N | 26.7 | Very low | 25.8 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -55.4 | 129.5 | 154.7 | -83.1 | -20 | 0 | 0 | 0 | 107.3 | R1880 P1884 | R1880-N1882 PolarHBondContact O-N 2.96Å; N1882-P1884 VanDerWaalsContact O-N 3.16Å | ||
| 1883 | S | 23.5 | Very low | 26.4 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -40 | 115.4 | 178.2 | 32.3 | 0 | 0 | 0 | 0 | 111.1 | P1881 S1885 | P1881-S1883 PolarHBondContact O-N 3.41Å; S1883-S1885 PolarHBondContact O-N 3.28Å; S1883-S1885 VanDerWaalsContact O-N 3.1Å | ||
| 1884 | P | 24.1 | Very low | 27 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -69.3 | 116.6 | 179.4 | 24.6 | -28.7 | 0 | 0 | 0 | 108.6 | N1882 | N1882-P1884 VanDerWaalsContact O-N 3.16Š| ||
| 1885 | S | 24.2 | Very low | 27.5 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | -47.3 | 140.7 | 155.8 | -39.1 | 0 | 0 | 0 | 0 | 108.4 | S1883 R1887 | S1883-S1885 PolarHBondContact O-N 3.28Å; S1883-S1885 VanDerWaalsContact O-N 3.1Å; S1885-R1887 PolarHBondContact O-N 3.19Å | ||
| 1886 | P | 25.8 | Very low | 28.2 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | trans | -58 | 105 | -170.7 | 21.8 | -31.7 | 0 | 0 | 0 | 110.1 | I1888 | P1886-I1888 PolarHBondContact O-N 2.94Š| ||
| 1887 | R | 22.8 | Very low | 29.1 | Very low | 228 Ų | 228 | 131.3 Ų | 131.3 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | -68 | 112 | 167.9 | -82.9 | -174.8 | 169.6 | 173.8 | -2.5 | 106.9 | S1885 R1889 | S1885-R1887 PolarHBondContact O-N 3.19Å; R1887-R1889 PolarHBondContact O-N 3.18Å | ||
| 1888 | I | 27.3 | Very low | 30.3 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | trans | -60.1 | 101.7 | 169.2 | -60.2 | 170.3 | 0 | 0 | 0 | 106.7 | P1886 L1890 | P1886-I1888 PolarHBondContact O-N 2.94Å; I1888-L1890 PolarHBondContact O-N 3.37Å | ||
| 1889 | R | 26.2 | Very low | 31.3 | Very low | 194 Ų | 194 | 119.9 Ų | 119.9 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | trans | -70.9 | 113.1 | -177.1 | -78.5 | -178.6 | 170.8 | -170.4 | -9.6 | 109.4 | D1260 R1887 | D1260-R1889 IonicContact OD2-CZ 2.7Å; D1260-R1889 IonicContact OD2-NH2 3.81Å; D1260-R1889 PolarHBondContact OD2-NH2 3.32Å; R1887-R1889 PolarHBondContact O-N 3.18Å | ||
| 1890 | L | 25.8 | Very low | 32.3 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | trans | -88.9 | -14 | -179.6 | -88.5 | 157.4 | 0 | 0 | 0 | 114.5 | I1888 N1895 | I1888-L1890 PolarHBondContact O-N 3.37Å; L1890-N1895 PolarHBondContact O-ND2 2.7Å | ||
| 1891 | D | 24.8 | Very low | 33.7 | Very low | 160 Ų | 160 | 108.6 Ų | 108.6 | 86% | 0.856 | 59% | 0.594 | S | S | * | * | trans | -112.9 | 90.4 | -172.5 | -64.3 | -29.6 | 0 | 0 | 0 | 112 | ||||
| 1892 | S | 28.7 | Very low | 35 | Very low | 56 Ų | 56 | 105.1 Ų | 105.1 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | trans | -126.4 | 140.2 | 162.1 | 77.2 | 0 | 0 | 0 | 0 | 109.3 | S1894 N1895 | S1892-S1894 PolarHBondContact O-N 3.24Å; S1892-S1894 WeakPolarHBondContact OG-CB 3.48Å; S1892-S1894 PolarHBondContact OG-N 2.71Å; S1892-S1894 PolarHBondContact OG-OG 3.29Å; S1892-N1895 WeakPolarHBondContact O-CB 3.44Å; S1892-N1895 PolarHBondContact O-N 3.19Å | ||
| 1893 | A | 33.8 | Very low | 36.1 | Very low | 103 Ų | 103 | 102 Ų | 102 | 85% | 0.851 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -8.8 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1895 T1896 | A1893-N1895 PolarHBondContact O-N 3.07Å; A1893-T1896 PolarHBondContact O-N 3.17Å |
| 1894 | S | 39 | Very low | 36.7 | Very low | 44 Ų | 44 | 104.9 Ų | 104.9 | 31% | 0.308 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -5.5 | 166 | 88.5 | 0 | 0 | 0 | 0 | 113.4 | S1892 T1896 | S1892-S1894 PolarHBondContact O-N 3.24Å; S1892-S1894 WeakPolarHBondContact OG-CB 3.48Å; S1892-S1894 PolarHBondContact OG-N 2.71Å; S1892-S1894 PolarHBondContact OG-OG 3.29Å; S1894-T1896 PolarHBondContact O-N 2.85Å |
| 1895 | N | 36.8 | Very low | 37.4 | Very low | 76 Ų | 76 | 106.2 Ų | 106.2 | 41% | 0.406 | 55% | 0.55 | S | S | . | . | trans | -69.4 | 26.6 | 163.8 | -75 | -19.6 | 0 | 0 | 0 | 113.3 | L1890 S1892 A1893 T1897 | L1890-N1895 PolarHBondContact O-ND2 2.7Å; S1892-N1895 WeakPolarHBondContact O-CB 3.44Å; S1892-N1895 PolarHBondContact O-N 3.19Å; A1893-N1895 PolarHBondContact O-N 3.07Å; N1895-T1897 WeakPolarHBondContact O-CA 3.42Å; N1895-T1897 VanDerWaalsContact O-CG2 3.28Å; N1895-T1897 WeakPolarHBondContact O-CG2 3.3Å; N1895-T1897 PolarHBondContact O-N 3.11Å | ||
| 1896 | T | 42 | Very low | 38.2 | Very low | 88 Ų | 88 | 107.4 Ų | 107.4 | 54% | 0.54 | 55% | 0.553 | S | S | . | * | trans | -52.3 | 97.9 | 150.5 | -29.8 | 0 | 0 | 0 | 0 | 105.1 | A1893 S1894 L1898 E1900 | A1893-T1896 PolarHBondContact O-N 3.17Å; S1894-T1896 PolarHBondContact O-N 2.85Å; T1896-L1898 PolarHBondContact O-N 3.03Å; T1896-E1900 WeakPolarHBondContact CG2-OE2 3.25Å | ||
| 1897 | T | 44.8 | Very low | 38.9 | Very low | 50 Ų | 50 | 108.1 Ų | 108.1 | 31% | 0.307 | 55% | 0.55 | S | S | . | . | trans | -65.4 | 144.6 | -154.4 | 44.6 | 0 | 0 | 0 | 0 | 108.7 | N1895 R1899 E1900 Y1901 | N1895-T1897 WeakPolarHBondContact O-CA 3.42Å; N1895-T1897 VanDerWaalsContact O-CG2 3.28Å; N1895-T1897 WeakPolarHBondContact O-CG2 3.3Å; N1895-T1897 PolarHBondContact O-N 3.11Å; T1897-R1899 CarbonylContact O-C 3.41Å; T1897-R1899 PolarHBondContact O-N 3.18Å; T1897-R1899 WeakPolarHBondContact OG1-CB 3.43Å; T1897-E1900 WeakPolarHBondContact O-CA 3.32Å; T1897-E1900 WeakPolarHBondContact O-CB 3.4Å; T1897-E1900 PolarHBondContact O-N 3.32Å; T1897-E1900 WeakPolarHBondContact OG1-CG 3.44Å; T1897-E1900 PolarHBondContact OG1-N 3.03Å; T1897-Y1901 PolarHBondContact O-N 3.09Å | ||
| 1898 | L | 54.4 | Low | 39.6 | Very low | 12 Ų | 12 | 101.3 Ų | 101.3 | 6% | 0.063 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -54.3 | -23.8 | 166.1 | -140.5 | 148.3 | 0 | 0 | 0 | 110.2 | T1896 L1902 L1937 L1940 L1941 V1951 L1954 | T1896-L1898 PolarHBondContact O-N 3.03Å; L1898-L1902 HydrophobicContact CD2-CD1 4.35Å; L1898-L1902 WeakPolarHBondContact O-CG 3.44Å; L1898-L1902 PolarHBondContact O-N 3.35Å; L1898-L1937 HydrophobicContact CD2-CD1 3.86Å; L1898-L1940 HydrophobicContact CD1-CD2 3.27Å; L1898-L1940 HydrophobicContact CD2-CD2 4.43Å; L1898-L1940 HydrophobicContact CG-CD2 3.59Å; L1898-L1941 HydrophobicContact CD1-CD2 3.89Å; L1898-L1941 HydrophobicContact CD2-CD2 4.27Å; L1898-V1951 HydrophobicContact CD1-CG1 4.23Å; L1898-L1954 HydrophobicContact CB-CD2 4.38Å; L1898-L1954 HydrophobicContact CD1-CD1 4.41Å; L1898-L1954 HydrophobicContact CD2-CD1 3.67Å; L1898-L1954 HydrophobicContact CD2-CD2 3.78Å; L1898-L1954 HydrophobicContact CD2-CG 4.33Å |
| 1899 | R | 47.8 | Very low | 40.4 | Very low | 111 Ų | 111 | 96.4 Ų | 96.4 | 42% | 0.419 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.8 | -54 | 162.3 | -68.7 | -177.1 | 175.2 | 174.3 | 1 | 113.3 | T1897 Y1901 L1902 Q1903 | T1897-R1899 CarbonylContact O-C 3.41Å; T1897-R1899 PolarHBondContact O-N 3.18Å; T1897-R1899 WeakPolarHBondContact OG1-CB 3.43Å; R1899-Y1901 VanDerWaalsContact C-N 3.3Å; R1899-Y1901 PolarHBondContact O-N 3.24Å; R1899-L1902 CarbonylContact O-C 3.59Å; R1899-L1902 WeakPolarHBondContact O-CA 3.11Å; R1899-L1902 WeakPolarHBondContact O-CB 3.18Å; R1899-L1902 PolarHBondContact O-N 3.16Å; R1899-Q1903 WeakPolarHBondContact O-CA 3.29Å; R1899-Q1903 WeakPolarHBondContact O-CB 3.05Å; R1899-Q1903 WeakPolarHBondContact O-CG 3.25Å; R1899-Q1903 PolarHBondContact O-N 3.3Å |
| 1900 | E | 48.8 | Very low | 41.5 | Very low | 96 Ų | 96 | 91.6 Ų | 91.6 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.5 | -39.5 | 177.1 | -83.8 | 174.1 | -140.9 | 0 | 0 | 113.6 | T1896 T1897 L1902 Q1903 R1904 | T1896-E1900 WeakPolarHBondContact CG2-OE2 3.25Å; T1897-E1900 WeakPolarHBondContact O-CA 3.32Å; T1897-E1900 WeakPolarHBondContact O-CB 3.4Å; T1897-E1900 PolarHBondContact O-N 3.32Å; T1897-E1900 WeakPolarHBondContact OG1-CG 3.44Å; T1897-E1900 PolarHBondContact OG1-N 3.03Å; E1900-L1902 VanDerWaalsContact C-N 3.27Å; E1900-L1902 PolarHBondContact O-N 3.37Å; E1900-Q1903 CarbonylContact O-C 3.54Å; E1900-Q1903 PolarHBondContact O-N 3.44Å; E1900-Q1903 VanDerWaalsContact O-N 3.09Å; E1900-R1904 WeakPolarHBondContact O-CG 3.08Å; E1900-R1904 PolarHBondContact O-N 2.84Å |
| 1901 | Y | 54 | Low | 42.7 | Very low | 65 Ų | 65 | 86.2 Ų | 86.2 | 26% | 0.255 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 174.5 | -172 | -98.5 | 0 | 0 | 0 | 112.1 | T1897 R1899 N1936 L1937 | T1897-Y1901 PolarHBondContact O-N 3.09Å; R1899-Y1901 VanDerWaalsContact C-N 3.3Å; R1899-Y1901 PolarHBondContact O-N 3.24Å; Y1901-N1936 WeakPolarHBondContact OH-CB 3.33Å; Y1901-L1937 HydrophobicContact CD1-CD1 4.36Å; Y1901-L1937 HydrophobicContact CE1-CB 4.47Å |
| 1902 | L | 54.2 | Low | 44.1 | Very low | 51 Ų | 51 | 79.5 Ų | 79.5 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -80.5 | -17.5 | 172.9 | -66 | 170.1 | 0 | 0 | 0 | 113.4 | L1898 R1899 E1900 L1937 L1954 | L1898-L1902 HydrophobicContact CD2-CD1 4.35Å; L1898-L1902 WeakPolarHBondContact O-CG 3.44Å; L1898-L1902 PolarHBondContact O-N 3.35Å; R1899-L1902 CarbonylContact O-C 3.59Å; R1899-L1902 WeakPolarHBondContact O-CA 3.11Å; R1899-L1902 WeakPolarHBondContact O-CB 3.18Å; R1899-L1902 PolarHBondContact O-N 3.16Å; E1900-L1902 VanDerWaalsContact C-N 3.27Å; E1900-L1902 PolarHBondContact O-N 3.37Å; L1902-L1937 HydrophobicContact CD2-CD2 4.4Å; L1902-L1954 HydrophobicContact CD1-CD2 3.67Å |
| 1903 | Q | 48.6 | Very low | 45.3 | Very low | 87 Ų | 87 | 82.7 Ų | 82.7 | 41% | 0.407 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -114.2 | -7.3 | -168.9 | -73.6 | 179.1 | -17.5 | 0 | 0 | 115.6 | R1899 E1900 T1905 | R1899-Q1903 WeakPolarHBondContact O-CA 3.29Å; R1899-Q1903 WeakPolarHBondContact O-CB 3.05Å; R1899-Q1903 WeakPolarHBondContact O-CG 3.25Å; R1899-Q1903 PolarHBondContact O-N 3.3Å; E1900-Q1903 CarbonylContact O-C 3.54Å; E1900-Q1903 PolarHBondContact O-N 3.44Å; E1900-Q1903 VanDerWaalsContact O-N 3.09Å; Q1903-T1905 WeakPolarHBondContact O-CG2 3.1Å; Q1903-T1905 PolarHBondContact O-N 3.45Å |
| 1904 | R | 36.9 | Very low | 47.1 | Very low | 168 Ų | 168 | 79.8 Ų | 79.8 | 63% | 0.634 | 43% | 0.428 | S | S | * | . | trans | -40.8 | 100.3 | -177 | -91.3 | -176.2 | 178.9 | -173.1 | -1.7 | 112 | E1900 | E1900-R1904 WeakPolarHBondContact O-CG 3.08Å; E1900-R1904 PolarHBondContact O-N 2.84Å | ||
| 1905 | T | 39.4 | Very low | 49.1 | Very low | 140 Ų | 140 | 77.9 Ų | 77.9 | 86% | 0.859 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -82.7 | -13.1 | -175.6 | 35 | 0 | 0 | 0 | 0 | 113 | Q1903 | Q1903-T1905 WeakPolarHBondContact O-CG2 3.1Å; Q1903-T1905 PolarHBondContact O-N 3.45Å |
| 1906 | T | 41.1 | Very low | 51.3 | Low | 126 Ų | 126 | 78.9 Ų | 78.9 | 77% | 0.773 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -92.1 | -23.6 | -177.4 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1907 | N | 40.8 | Very low | 53.3 | Low | 138 Ų | 138 | 77 Ų | 77 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -141.9 | 93.2 | 167.3 | -86.4 | -26.8 | 0 | 0 | 0 | 106.6 | N1909 | N1907-N1909 PolarHBondContact O-N 3.48Å; N1907-N1909 VanDerWaalsContact O-N 3.11Å |
| 1908 | S | 35.6 | Very low | 55.4 | Low | 85 Ų | 85 | 80.6 Ų | 80.6 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | trans | -45.5 | 119.6 | 176.3 | 53 | 0 | 0 | 0 | 0 | 109.6 | P1910 | S1908-P1910 WeakPolarHBondContact O-CD 3.5Å; S1908-P1910 WeakPolarHBondContact O-CG 3.35Å | ||
| 1909 | N | 46 | Very low | 57.2 | Low | 45 Ų | 45 | 82.8 Ų | 82.8 | 24% | 0.241 | 44% | 0.437 | C | S | . | . | trans | -68.6 | 102.1 | 166.1 | -168.8 | -14.1 | 0 | 0 | 0 | 106.6 | N1907 V1911 A1912 D1933 | N1907-N1909 PolarHBondContact O-N 3.48Å; N1907-N1909 VanDerWaalsContact O-N 3.11Å; N1909-V1911 PolarHBondContact O-N 3.35Å; N1909-A1912 PolarHBondContact O-N 3.04Å; N1909-D1933 PolarHBondContact ND2-OD1 3.27Å; N1909-D1933 PolarHBondContact OD1-OD2 3.28Å | ||
| 1910 | P | 48.8 | Very low | 59.3 | Low | 94 Ų | 94 | 77.5 Ų | 77.5 | 61% | 0.61 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.6 | -167.3 | -16 | 31.1 | 0 | 0 | 0 | 111.9 | S1908 S1914 | S1908-P1910 WeakPolarHBondContact O-CD 3.5Å; S1908-P1910 WeakPolarHBondContact O-CG 3.35Å; P1910-S1914 PolarHBondContact O-N 2.98Å |
| 1911 | V | 50.8 | Low | 61.3 | Low | 15 Ų | 15 | 75.2 Ų | 75.2 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -41.3 | -169.5 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | N1909 H1913 S1914 D1929 H1930 D1933 | N1909-V1911 PolarHBondContact O-N 3.35Å; V1911-H1913 PolarHBondContact O-N 3.34Å; V1911-S1914 WeakPolarHBondContact O-CB 3.29Å; V1911-S1914 PolarHBondContact O-N 2.88Å; V1911-S1914 PolarHBondContact O-OG 3.44Å; V1911-D1929 HydrophobicContact CG2-CB 3.76Å; V1911-H1930 VanDerWaalsContact CG1-CA 3.46Å; V1911-H1930 HydrophobicContact CG1-CB 4.29Å; V1911-H1930 VanDerWaalsContact CG1-CD2 3.41Å; V1911-H1930 WeakPolarHBondContact CG1-CD2 3.39Å; V1911-D1933 HydrophobicContact CB-CB 4.43Å; V1911-D1933 WeakPolarHBondContact CB-OD2 3.47Å; V1911-D1933 HydrophobicContact CG1-CB 4.07Å; V1911-D1933 WeakPolarHBondContact CG1-OD2 3.24Å; V1911-D1933 VanDerWaalsContact CG2-OD2 3.22Å; V1911-D1933 WeakPolarHBondContact CG2-OD2 3.33Å |
| 1912 | A | 52.9 | Low | 63.1 | Low | 20 Ų | 20 | 73 Ų | 73 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1909 S1914 M2215 | N1909-A1912 PolarHBondContact O-N 3.04Å; A1912-S1914 VanDerWaalsContact C-N 3.33Å; A1912-M2215 HydrophobicContact CB-CE 4.24Å |
| 1913 | H | 55.1 | Low | 64.7 | Low | 123 Ų | 123 | 70.8 Ų | 70.8 | 57% | 0.569 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.3 | -22.4 | 173.1 | -82.5 | -65.9 | 0 | 0 | 0 | 114.1 | V1911 | V1911-H1913 PolarHBondContact O-N 3.34Å |
| 1914 | S | 70.6 | Confident | 66.4 | Low | 42 Ų | 42 | 71.9 Ų | 71.9 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.2 | -30.8 | -177.4 | 76.8 | 0 | 0 | 0 | 0 | 113.9 | P1910 V1911 A1912 K1918 H1930 | P1910-S1914 PolarHBondContact O-N 2.98Å; V1911-S1914 WeakPolarHBondContact O-CB 3.29Å; V1911-S1914 PolarHBondContact O-N 2.88Å; V1911-S1914 PolarHBondContact O-OG 3.44Å; A1912-S1914 VanDerWaalsContact C-N 3.33Å; S1914-K1918 VanDerWaalsContact O-CG 3.26Å; S1914-K1918 WeakPolarHBondContact O-CG 3.39Å; S1914-H1930 PolarHBondContact OG-CD2 3.4Å; S1914-H1930 PolarHBondContact OG-NE2 2.66Å |
| 1915 | L | 82.5 | Confident | 68.8 | Low | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -90.1 | -18.1 | -179.8 | -64.9 | -179.7 | 0 | 0 | 0 | 113.4 | G1917 K1918 I1920 M1925 F1926 I1934 M2215 | L1915-G1917 PolarHBondContact O-N 3.46Å; L1915-K1918 WeakPolarHBondContact O-CB 3.22Å; L1915-K1918 PolarHBondContact O-N 2.87Å; L1915-I1920 HydrophobicContact CD2-CD1 4.13Å; L1915-M1925 HydrophobicContact CD2-CE 4.47Å; L1915-F1926 HydrophobicContact CD1-CE1 4.38Å; L1915-F1926 HydrophobicContact CD2-CE1 4.32Å; L1915-I1934 HydrophobicContact CD1-CD1 3.96Å; L1915-I1934 HydrophobicContact CD1-CG1 4.19Å; L1915-M2215 HydrophobicContact CD1-CE 4.01Å; L1915-M2215 HydrophobicContact CD1-SD 4.49Å |
| 1916 | M | 82.8 | Confident | 71.2 | Confident | 97 Ų | 97 | 60.3 Ų | 60.3 | 48% | 0.478 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 123 | -178.8 | -170.3 | 175.8 | 68.1 | 0 | 0 | 110.6 | K1918 M2215 | M1916-K1918 VanDerWaalsContact C-N 3.27Å; M1916-K1918 PolarHBondContact O-N 2.91Å; M1916-M2215 VanDerWaalsContact CA-O 3.29Å; M1916-M2215 WeakPolarHBondContact CA-O 3.4Å; M1916-M2215 PolarHBondContact N-O 2.68Å |
| 1917 | G | 83.5 | Confident | 73.4 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 0.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1915 V2216 | L1915-G1917 PolarHBondContact O-N 3.46Å; G1917-V2216 PolarHBondContact N-O 2.73Å |
| 1918 | K | 87.7 | Confident | 75.2 | Confident | 125 Ų | 125 | 56.2 Ų | 56.2 | 54% | 0.543 | 31% | 0.312 | S | S | . | . | trans | -89.6 | 149.8 | 179.9 | -63.2 | -66.3 | -174.8 | 175.4 | 0 | 112.2 | S1914 L1915 M1916 | S1914-K1918 VanDerWaalsContact O-CG 3.26Å; S1914-K1918 WeakPolarHBondContact O-CG 3.39Å; L1915-K1918 WeakPolarHBondContact O-CB 3.22Å; L1915-K1918 PolarHBondContact O-N 2.87Å; M1916-K1918 VanDerWaalsContact C-N 3.27Å; M1916-K1918 PolarHBondContact O-N 2.91Å | ||
| 1919 | H | 92.3 | Very high | 77.2 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 27% | 0.269 | 31% | 0.308 | S | S | . | . | trans | -76.7 | 138.7 | 167.5 | -50.2 | -79 | 0 | 0 | 0 | 110.3 | L1921 M1925 A2030 K2035 L2037 | H1919-L1921 HydrophobicContact CB-CD1 4.21Å; H1919-L1921 HydrophobicContact CB-CD2 3.81Å; H1919-L1921 HydrophobicContact CB-CG 3.82Å; H1919-M1925 WeakPolarHBondContact O-CE 3.38Å; H1919-A2030 HydrophobicContact CB-CB 4.44Å; H1919-K2035 PolarHBondContact CE1-O 3.07Å; H1919-K2035 PolarHBondContact ND1-O 3.22Å; H1919-L2037 CarbonylContact C-O 3.44Å; H1919-L2037 VanDerWaalsContact CA-O 3.27Å; H1919-L2037 WeakPolarHBondContact CA-O 2.92Å; H1919-L2037 HydrophobicContact CB-CB 4.47Å; H1919-L2037 WeakPolarHBondContact CB-O 3.32Å; H1919-L2037 WeakPolarHBondContact ND1-CB 3.37Å; H1919-L2037 PolarHBondContact ND1-N 3.35Å | ||
| 1920 | I | 92.9 | Very high | 79 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 96.2 | 174.1 | -54.3 | -53.8 | 0 | 0 | 0 | 108.7 | L1915 M1925 F1926 L2037 I2038 N2039 P2048 V2216 | L1915-I1920 HydrophobicContact CD2-CD1 4.13Å; I1920-M1925 VanDerWaalsContact CA-SD 3.58Å; I1920-M1925 HydrophobicContact CB-SD 4.23Å; I1920-M1925 HydrophobicContact CD1-CE 3.63Å; I1920-M1925 HydrophobicContact CD1-SD 3.99Å; I1920-M1925 HydrophobicContact CG2-SD 3.92Å; I1920-F1926 HydrophobicContact CD1-CE1 4.39Å; I1920-F1926 HydrophobicContact CD1-CZ 4.23Å; I1920-F1926 HydrophobicContact CG2-CE2 4.13Å; I1920-F1926 HydrophobicContact CG2-CZ 3.64Å; I1920-L2037 PolarHBondContact N-O 3.46Å; I1920-I2038 HydrophobicContact CB-CB 4.49Å; I1920-I2038 HydrophobicContact CB-CG1 4.28Å; I1920-I2038 HydrophobicContact CB-CG2 4.29Å; I1920-I2038 HydrophobicContact CG1-CG1 4.22Å; I1920-N2039 WeakPolarHBondContact O-CB 3.49Å; I1920-N2039 PolarHBondContact O-N 3.27Å; I1920-P2048 HydrophobicContact CG2-CB 4.46Å; I1920-P2048 HydrophobicContact CG2-CG 4.25Å; I1920-V2216 HydrophobicContact CD1-CG2 3.89Å; I1920-V2216 HydrophobicContact CG1-CG2 3.75Å |
| 1921 | L | 91.4 | Very high | 80.8 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | trans | -107 | -44.1 | -167.8 | -57.7 | -179.8 | 0 | 0 | 0 | 114.4 | H1919 V2026 A2030 L2037 N2039 | H1919-L1921 HydrophobicContact CB-CD1 4.21Å; H1919-L1921 HydrophobicContact CB-CD2 3.81Å; H1919-L1921 HydrophobicContact CB-CG 3.82Å; L1921-V2026 HydrophobicContact CD2-CG1 3.88Å; L1921-A2030 HydrophobicContact CD1-CB 3.87Å; L1921-A2030 HydrophobicContact CD2-CB 3.64Å; L1921-A2030 HydrophobicContact CG-CB 4.39Å; L1921-L2037 HydrophobicContact CD2-CD2 4.22Å; L1921-N2039 WeakPolarHBondContact O-CB 3.21Å; L1921-N2039 PolarHBondContact O-ND2 3.42Å | ||
| 1922 | A | 90.2 | Very high | 82.1 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | trans | -143.1 | 165.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | D1924 M1925 E2046 | A1922-D1924 VanDerWaalsContact CB-OD1 3.24Å; A1922-D1924 WeakPolarHBondContact CB-OD1 3.32Å; A1922-M1925 WeakPolarHBondContact O-CG 3.4Å; A1922-M1925 VanDerWaalsContact O-SD 3.39Å; A1922-E2046 VanDerWaalsContact CA-OE2 3.26Å; A1922-E2046 WeakPolarHBondContact CA-OE2 3.26Å; A1922-E2046 WeakPolarHBondContact CB-OE2 3.29Å | ||
| 1923 | V | 89.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -76.1 | -23.4 | -176.8 | -66.7 | 0 | 0 | 0 | 0 | 114.1 | M1925 F1926 E2046 P2048 A2051 R2087 L2088 | V1923-M1925 PolarHBondContact O-N 3.01Å; V1923-F1926 PolarHBondContact O-N 3.13Å; V1923-F1926 VanDerWaalsContact O-N 3.09Å; V1923-E2046 WeakPolarHBondContact CG2-OE2 3.4Å; V1923-E2046 PolarHBondContact N-OE2 3.37Å; V1923-P2048 HydrophobicContact CG1-CB 3.8Å; V1923-A2051 HydrophobicContact CG1-CB 3.89Å; V1923-R2087 HydrophobicContact CG2-CB 3.52Å; V1923-L2088 HydrophobicContact CB-CB 4.04Å; V1923-L2088 HydrophobicContact CB-CD1 4.08Å; V1923-L2088 HydrophobicContact CB-CG 4.48Å; V1923-L2088 HydrophobicContact CG1-CB 4.22Å; V1923-L2088 HydrophobicContact CG1-CD2 4.43Å; V1923-L2088 HydrophobicContact CG2-CB 4.37Å |
| 1924 | D | 84.4 | Confident | 85 | Confident | 111 Ų | 111 | 47.3 Ų | 47.3 | 59% | 0.594 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -65.4 | -16.5 | -179.5 | 63.5 | -11.6 | 0 | 0 | 0 | 113.8 | A1922 F1926 | A1922-D1924 VanDerWaalsContact CB-OD1 3.24Å; A1922-D1924 WeakPolarHBondContact CB-OD1 3.32Å; D1924-F1926 VanDerWaalsContact C-N 3.25Å; D1924-F1926 PolarHBondContact O-N 3.08Å |
| 1925 | M | 87.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 45.3 Ų | 45.3 | 29% | 0.286 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -70.5 | -21.5 | 172.8 | 77.6 | -174.5 | -61.3 | 0 | 0 | 113.3 | L1915 H1919 I1920 A1922 V1923 H1930 | L1915-M1925 HydrophobicContact CD2-CE 4.47Å; H1919-M1925 WeakPolarHBondContact O-CE 3.38Å; I1920-M1925 VanDerWaalsContact CA-SD 3.58Å; I1920-M1925 HydrophobicContact CB-SD 4.23Å; I1920-M1925 HydrophobicContact CD1-CE 3.63Å; I1920-M1925 HydrophobicContact CD1-SD 3.99Å; I1920-M1925 HydrophobicContact CG2-SD 3.92Å; A1922-M1925 WeakPolarHBondContact O-CG 3.4Å; A1922-M1925 VanDerWaalsContact O-SD 3.39Å; V1923-M1925 PolarHBondContact O-N 3.01Å; M1925-H1930 PolarHBondContact O-CE1 3.49Å; M1925-H1930 PolarHBondContact O-ND1 3.35Å |
| 1926 | F | 90 | Very high | 85.5 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -88 | 138.2 | -179.1 | -59.6 | -65.4 | 0 | 0 | 0 | 110.3 | L1915 I1920 V1923 D1924 H1930 L1931 I1934 P2048 L2052 L2088 L2091 | L1915-F1926 HydrophobicContact CD1-CE1 4.38Å; L1915-F1926 HydrophobicContact CD2-CE1 4.32Å; I1920-F1926 HydrophobicContact CD1-CE1 4.39Å; I1920-F1926 HydrophobicContact CD1-CZ 4.23Å; I1920-F1926 HydrophobicContact CG2-CE2 4.13Å; I1920-F1926 HydrophobicContact CG2-CZ 3.64Å; V1923-F1926 PolarHBondContact O-N 3.13Å; V1923-F1926 VanDerWaalsContact O-N 3.09Å; D1924-F1926 VanDerWaalsContact C-N 3.25Å; D1924-F1926 PolarHBondContact O-N 3.08Å; F1926-H1930 HydrophobicContact CB-CB 4.31Å; F1926-H1930 HydrophobicContact CD1-CB 3.89Å; F1926-L1931 HydrophobicContact CB-CD2 4Å; F1926-L1931 HydrophobicContact CB-CG 4.46Å; F1926-L1931 HydrophobicContact CG-CD2 4.35Å; F1926-I1934 HydrophobicContact CD1-CD1 3.98Å; F1926-I1934 HydrophobicContact CE1-CD1 3.73Å; F1926-P2048 HydrophobicContact CE2-CB 4.19Å; F1926-L2052 HydrophobicContact CD2-CD1 4.47Å; F1926-L2052 HydrophobicContact CD2-CD2 4.24Å; F1926-L2052 HydrophobicContact CE1-CD1 4.32Å; F1926-L2052 HydrophobicContact CE2-CD1 3.76Å; F1926-L2052 HydrophobicContact CE2-CD2 4.33Å; F1926-L2052 HydrophobicContact CE2-CG 4.21Å; F1926-L2052 HydrophobicContact CG-CD2 4.44Å; F1926-L2052 HydrophobicContact CZ-CD1 3.67Å; F1926-L2088 HydrophobicContact CB-CD1 3.99Å; F1926-L2088 HydrophobicContact CD2-CD1 4.42Å; F1926-L2091 WeakPolarHBondContact O-CD1 3.32Å | ||
| 1927 | N | 86.1 | Confident | 85.5 | Confident | 68 Ų | 68 | 41.9 Ų | 41.9 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | trans | -114.8 | 177.6 | 168.9 | 64.7 | 27.9 | 0 | 0 | 0 | 107.8 | D1929 H1930 L1931 | N1927-D1929 PolarHBondContact O-N 3.48Å; N1927-D1929 PolarHBondContact OD1-N 3.4Å; N1927-H1930 VanDerWaalsContact CG-ND1 3.33Å; N1927-H1930 PolarHBondContact N-ND1 3.35Å; N1927-H1930 VanDerWaalsContact N-ND1 3.16Å; N1927-H1930 PolarHBondContact O-N 3.09Å; N1927-H1930 PolarHBondContact OD1-N 3.34Å; N1927-H1930 PolarHBondContact OD1-ND1 3.13Å; N1927-L1931 WeakPolarHBondContact O-CG 3.38Å; N1927-L1931 PolarHBondContact O-N 3.04Å; N1927-L1931 VanDerWaalsContact O-N 3.11Å | ||
| 1928 | K | 79 | Confident | 85.7 | Confident | 110 Ų | 110 | 39.6 Ų | 39.6 | 48% | 0.478 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.4 | -37.1 | -179.6 | -81 | -173.8 | 176.5 | 178.5 | 0 | 113.2 | L1931 N1932 L2091 | K1928-L1931 PolarHBondContact O-N 2.84Å; K1928-N1932 PolarHBondContact O-N 3.19Å; K1928-N1932 PolarHBondContact O-ND2 3.21Å; K1928-L2091 WeakPolarHBondContact CE-O 3.49Å; K1928-L2091 HydrophobicContact CG-CB 4.33Å; K1928-L2091 PolarHBondContact NZ-O 2.83Å |
| 1929 | D | 77.5 | Confident | 85.3 | Confident | 94 Ų | 94 | 35.7 Ų | 35.7 | 50% | 0.503 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.2 | -45 | -177.8 | -55.7 | -35.5 | 0 | 0 | 0 | 110.7 | V1911 N1927 L1931 N1932 D1933 | V1911-D1929 HydrophobicContact CG2-CB 3.76Å; N1927-D1929 PolarHBondContact O-N 3.48Å; N1927-D1929 PolarHBondContact OD1-N 3.4Å; D1929-L1931 VanDerWaalsContact C-N 3.29Å; D1929-L1931 PolarHBondContact O-N 3.09Å; D1929-N1932 PolarHBondContact O-N 3.11Å; D1929-D1933 PolarHBondContact O-N 3.49Å |
| 1930 | H | 84.4 | Confident | 84.5 | Confident | 25 Ų | 25 | 35.4 Ų | 35.4 | 12% | 0.116 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -51.4 | -48.4 | 170.5 | -63.9 | 136 | 0 | 0 | 0 | 111.7 | V1911 S1914 M1925 F1926 N1927 I1934 | V1911-H1930 VanDerWaalsContact CG1-CA 3.46Å; V1911-H1930 HydrophobicContact CG1-CB 4.29Å; V1911-H1930 VanDerWaalsContact CG1-CD2 3.41Å; V1911-H1930 WeakPolarHBondContact CG1-CD2 3.39Å; S1914-H1930 PolarHBondContact OG-CD2 3.4Å; S1914-H1930 PolarHBondContact OG-NE2 2.66Å; M1925-H1930 PolarHBondContact O-CE1 3.49Å; M1925-H1930 PolarHBondContact O-ND1 3.35Å; F1926-H1930 HydrophobicContact CB-CB 4.31Å; F1926-H1930 HydrophobicContact CD1-CB 3.89Å; N1927-H1930 VanDerWaalsContact CG-ND1 3.33Å; N1927-H1930 PolarHBondContact N-ND1 3.35Å; N1927-H1930 VanDerWaalsContact N-ND1 3.16Å; N1927-H1930 PolarHBondContact O-N 3.09Å; N1927-H1930 PolarHBondContact OD1-N 3.34Å; N1927-H1930 PolarHBondContact OD1-ND1 3.13Å; H1930-I1934 WeakPolarHBondContact O-CB 3.37Å; H1930-I1934 WeakPolarHBondContact O-CD1 3.47Å; H1930-I1934 WeakPolarHBondContact O-CG1 3.3Å; H1930-I1934 PolarHBondContact O-N 3.29Å |
| 1931 | L | 86.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 180 | -65.8 | -167.9 | 0 | 0 | 0 | 112.2 | F1926 N1927 K1928 D1929 D1933 F1935 L2052 L2088 L2091 Y2092 | F1926-L1931 HydrophobicContact CB-CD2 4Å; F1926-L1931 HydrophobicContact CB-CG 4.46Å; F1926-L1931 HydrophobicContact CG-CD2 4.35Å; N1927-L1931 WeakPolarHBondContact O-CG 3.38Å; N1927-L1931 PolarHBondContact O-N 3.04Å; N1927-L1931 VanDerWaalsContact O-N 3.11Å; K1928-L1931 PolarHBondContact O-N 2.84Å; D1929-L1931 VanDerWaalsContact C-N 3.29Å; D1929-L1931 PolarHBondContact O-N 3.09Å; L1931-D1933 PolarHBondContact O-N 2.88Å; L1931-F1935 HydrophobicContact CB-CD2 4.34Å; L1931-F1935 HydrophobicContact CB-CE2 3.93Å; L1931-F1935 HydrophobicContact CB-CZ 4.26Å; L1931-F1935 HydrophobicContact CD1-CE2 4.49Å; L1931-F1935 HydrophobicContact CD2-CZ 4.04Å; L1931-F1935 VanDerWaalsContact O-CB 3.22Å; L1931-F1935 WeakPolarHBondContact O-CB 3.44Å; L1931-F1935 WeakPolarHBondContact O-CD2 2.99Å; L1931-F1935 WeakPolarHBondContact O-CG 3.49Å; L1931-F1935 PolarHBondContact O-N 3.4Å; L1931-L2052 HydrophobicContact CD2-CD2 3.15Å; L1931-L2088 HydrophobicContact CD1-CD1 4.14Å; L1931-L2088 HydrophobicContact CD1-CG 4.28Å; L1931-L2088 HydrophobicContact CD2-CD1 4.2Å; L1931-L2088 HydrophobicContact CD2-CD2 4.26Å; L1931-L2091 HydrophobicContact CD1-CD1 3.71Å; L1931-L2091 HydrophobicContact CG-CD1 4.29Å; L1931-Y2092 HydrophobicContact CD1-CE2 3.54Å; L1931-Y2092 VanDerWaalsContact CD1-OH 3.26Å; L1931-Y2092 WeakPolarHBondContact CD1-OH 3.37Å |
| 1932 | N | 78.8 | Confident | 83.6 | Confident | 56 Ų | 56 | 34.5 Ų | 34.5 | 30% | 0.299 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.4 | -47.5 | 180 | -82.9 | -34 | 0 | 0 | 0 | 111.6 | R1067 K1928 D1929 N1936 | R1067-N1932 PolarHBondContact NH2-OD1 3.05Å; R1067-N1932 VanDerWaalsContact NH2-OD1 3.15Å; K1928-N1932 PolarHBondContact O-N 3.19Å; K1928-N1932 PolarHBondContact O-ND2 3.21Å; D1929-N1932 PolarHBondContact O-N 3.11Å; N1932-N1936 VanDerWaalsContact O-CB 3.29Å; N1932-N1936 WeakPolarHBondContact O-CB 3.04Å; N1932-N1936 PolarHBondContact O-N 2.77Å; N1932-N1936 PolarHBondContact O-ND2 2.77Å; N1932-N1936 VanDerWaalsContact O-ND2 3.09Å; N1932-N1936 PolarHBondContact O-OD1 2.84Å |
| 1933 | D | 79.4 | Confident | 82.6 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.4 | -43 | -178.8 | -72.8 | -49.8 | 0 | 0 | 0 | 113.5 | N1909 V1911 D1929 L1931 F1935 N1936 L1937 M2215 | N1909-D1933 PolarHBondContact ND2-OD1 3.27Å; N1909-D1933 PolarHBondContact OD1-OD2 3.28Å; V1911-D1933 HydrophobicContact CB-CB 4.43Å; V1911-D1933 WeakPolarHBondContact CB-OD2 3.47Å; V1911-D1933 HydrophobicContact CG1-CB 4.07Å; V1911-D1933 WeakPolarHBondContact CG1-OD2 3.24Å; V1911-D1933 VanDerWaalsContact CG2-OD2 3.22Å; V1911-D1933 WeakPolarHBondContact CG2-OD2 3.33Å; D1929-D1933 PolarHBondContact O-N 3.49Å; L1931-D1933 PolarHBondContact O-N 2.88Å; D1933-F1935 VanDerWaalsContact C-N 3.3Å; D1933-F1935 PolarHBondContact O-N 3.19Å; D1933-N1936 PolarHBondContact O-N 2.89Å; D1933-L1937 WeakPolarHBondContact O-CB 3.41Å; D1933-L1937 PolarHBondContact O-N 3.3Å; D1933-M2215 HydrophobicContact CB-CE 4.05Å |
| 1934 | I | 87.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | 175.2 | -69.3 | 164.1 | 0 | 0 | 0 | 109.8 | L1915 F1926 H1930 L1937 A1938 L2052 I2208 A2211 L2212 M2215 | L1915-I1934 HydrophobicContact CD1-CD1 3.96Å; L1915-I1934 HydrophobicContact CD1-CG1 4.19Å; F1926-I1934 HydrophobicContact CD1-CD1 3.98Å; F1926-I1934 HydrophobicContact CE1-CD1 3.73Å; H1930-I1934 WeakPolarHBondContact O-CB 3.37Å; H1930-I1934 WeakPolarHBondContact O-CD1 3.47Å; H1930-I1934 WeakPolarHBondContact O-CG1 3.3Å; H1930-I1934 PolarHBondContact O-N 3.29Å; I1934-L1937 PolarHBondContact O-N 3.02Å; I1934-A1938 WeakPolarHBondContact O-CB 3.4Å; I1934-A1938 PolarHBondContact O-N 3.09Å; I1934-L2052 HydrophobicContact CD1-CD1 4.4Å; I1934-L2052 HydrophobicContact CD1-CD2 4.33Å; I1934-I2208 HydrophobicContact CG2-CD1 4.07Å; I1934-A2211 HydrophobicContact CG2-CB 4.39Å; I1934-A2211 WeakPolarHBondContact O-CB 3.43Å; I1934-L2212 HydrophobicContact CD1-CD2 3.88Å; I1934-L2212 HydrophobicContact CG1-CD2 4.3Å; I1934-L2212 HydrophobicContact CG2-CD2 4.4Å; I1934-L2212 HydrophobicContact CG2-CG 4.32Å; I1934-M2215 HydrophobicContact CB-SD 4.36Å; I1934-M2215 HydrophobicContact CG1-CE 4.2Å; I1934-M2215 HydrophobicContact CG1-SD 3.65Å |
| 1935 | F | 88.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.8 | -35.8 | -178 | -64.6 | -11.7 | 0 | 0 | 0 | 112.3 | L1931 D1933 A1938 Q1939 L2052 I2055 F2056 I2208 | L1931-F1935 HydrophobicContact CB-CD2 4.34Å; L1931-F1935 HydrophobicContact CB-CE2 3.93Å; L1931-F1935 HydrophobicContact CB-CZ 4.26Å; L1931-F1935 HydrophobicContact CD1-CE2 4.49Å; L1931-F1935 HydrophobicContact CD2-CZ 4.04Å; L1931-F1935 VanDerWaalsContact O-CB 3.22Å; L1931-F1935 WeakPolarHBondContact O-CB 3.44Å; L1931-F1935 WeakPolarHBondContact O-CD2 2.99Å; L1931-F1935 WeakPolarHBondContact O-CG 3.49Å; L1931-F1935 PolarHBondContact O-N 3.4Å; D1933-F1935 VanDerWaalsContact C-N 3.3Å; D1933-F1935 PolarHBondContact O-N 3.19Å; F1935-A1938 PolarHBondContact O-N 3.39Å; F1935-Q1939 WeakPolarHBondContact O-CB 3.25Å; F1935-Q1939 PolarHBondContact O-N 3.04Å; F1935-L2052 HydrophobicContact CE1-CB 4.4Å; F1935-L2052 HydrophobicContact CE1-CD2 4.11Å; F1935-L2052 WeakPolarHBondContact CE1-O 3.22Å; F1935-L2052 HydrophobicContact CZ-CD2 4.36Å; F1935-I2055 HydrophobicContact CE2-CB 4.23Å; F1935-I2055 HydrophobicContact CE2-CG2 3.5Å; F1935-I2055 HydrophobicContact CZ-CB 3.84Å; F1935-I2055 HydrophobicContact CZ-CG2 3.64Å; F1935-F2056 HydrophobicContact CB-CD2 3.78Å; F1935-F2056 HydrophobicContact CB-CE2 4.26Å; F1935-F2056 HydrophobicContact CD1-CB 3.86Å; F1935-F2056 AromaticContact CD1-CD2 3.92Å; F1935-F2056 HydrophobicContact CD1-CD2 3.92Å; F1935-F2056 HydrophobicContact CD1-CG 4.26Å; F1935-F2056 HydrophobicContact CE1-CB 3.88Å; F1935-F2056 HydrophobicContact CG-CB 4.38Å; F1935-F2056 AromaticContact CG-CD2 3.88Å; F1935-F2056 HydrophobicContact CG-CD2 3.88Å; F1935-F2056 HydrophobicContact CZ-CB 4.42Å; F1935-F2056 WeakPolarHBondContact O-CE2 3.46Å; F1935-I2208 HydrophobicContact CD1-CD1 3.45Å; F1935-I2208 VanDerWaalsContact CD1-CD1 3.45Å; F1935-I2208 HydrophobicContact CE1-CD1 3.8Å |
| 1936 | N | 77 | Confident | 79.7 | Confident | 27 Ų | 27 | 35.7 Ų | 35.7 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -44.4 | 175.7 | -71.2 | -19.3 | 0 | 0 | 0 | 111.5 | Y1901 N1932 D1933 Q1939 L1940 R2059 | Y1901-N1936 WeakPolarHBondContact OH-CB 3.33Å; N1932-N1936 VanDerWaalsContact O-CB 3.29Å; N1932-N1936 WeakPolarHBondContact O-CB 3.04Å; N1932-N1936 PolarHBondContact O-N 2.77Å; N1932-N1936 PolarHBondContact O-ND2 2.77Å; N1932-N1936 VanDerWaalsContact O-ND2 3.09Å; N1932-N1936 PolarHBondContact O-OD1 2.84Å; D1933-N1936 PolarHBondContact O-N 2.89Å; N1936-Q1939 PolarHBondContact O-N 3.11Å; N1936-L1940 PolarHBondContact O-N 3.31Å; N1936-L1940 VanDerWaalsContact O-N 3.1Å; N1936-R2059 PolarHBondContact OD1-NH2 2.63Å |
| 1937 | L | 82.6 | Confident | 78.2 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 175.8 | -179.4 | 59 | 0 | 0 | 0 | 111.1 | L1898 Y1901 L1902 D1933 I1934 Q1939 L1940 L1941 A2211 A2214 M2215 | L1898-L1937 HydrophobicContact CD2-CD1 3.86Å; Y1901-L1937 HydrophobicContact CD1-CD1 4.36Å; Y1901-L1937 HydrophobicContact CE1-CB 4.47Å; L1902-L1937 HydrophobicContact CD2-CD2 4.4Å; D1933-L1937 WeakPolarHBondContact O-CB 3.41Å; D1933-L1937 PolarHBondContact O-N 3.3Å; I1934-L1937 PolarHBondContact O-N 3.02Å; L1937-Q1939 VanDerWaalsContact C-N 3.32Å; L1937-Q1939 PolarHBondContact O-N 3.29Å; L1937-L1940 PolarHBondContact O-N 3.36Å; L1937-L1941 HydrophobicContact CD1-CD1 4.12Å; L1937-L1941 HydrophobicContact CD1-CG 4.2Å; L1937-L1941 HydrophobicContact CG-CD1 3.86Å; L1937-L1941 HydrophobicContact CG-CG 4.41Å; L1937-L1941 WeakPolarHBondContact O-CB 3.44Å; L1937-L1941 WeakPolarHBondContact O-CG 3.47Å; L1937-L1941 PolarHBondContact O-N 2.72Å; L1937-A2211 HydrophobicContact CB-CB 3.97Å; L1937-A2211 HydrophobicContact CD2-CB 3.96Å; L1937-A2211 HydrophobicContact CG-CB 3.85Å; L1937-A2214 HydrophobicContact CD2-CB 4.12Å; L1937-M2215 HydrophobicContact CD2-CG 3.75Å; L1937-M2215 HydrophobicContact CD2-SD 4.19Å |
| 1938 | A | 87 | Confident | 77 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I1934 F1935 L1941 K1942 F2056 I2208 A2211 | I1934-A1938 WeakPolarHBondContact O-CB 3.4Å; I1934-A1938 PolarHBondContact O-N 3.09Å; F1935-A1938 PolarHBondContact O-N 3.39Å; A1938-L1941 PolarHBondContact O-N 3.29Å; A1938-K1942 WeakPolarHBondContact O-CB 3.44Å; A1938-K1942 PolarHBondContact O-N 3.24Å; A1938-F2056 HydrophobicContact CB-CD2 4.46Å; A1938-F2056 HydrophobicContact CB-CE1 4.34Å; A1938-F2056 HydrophobicContact CB-CE2 3.99Å; A1938-F2056 HydrophobicContact CB-CZ 3.93Å; A1938-I2208 HydrophobicContact CB-CD1 3.66Å; A1938-I2208 HydrophobicContact CB-CG1 4.11Å; A1938-A2211 HydrophobicContact CB-CB 3.93Å |
| 1939 | Q | 79.3 | Confident | 76.4 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.7 | -167.3 | -179.2 | 19.3 | 0 | 0 | 112.1 | F1935 N1936 L1937 K1942 L1943 F2056 | F1935-Q1939 WeakPolarHBondContact O-CB 3.25Å; F1935-Q1939 PolarHBondContact O-N 3.04Å; N1936-Q1939 PolarHBondContact O-N 3.11Å; L1937-Q1939 VanDerWaalsContact C-N 3.32Å; L1937-Q1939 PolarHBondContact O-N 3.29Å; Q1939-K1942 WeakPolarHBondContact O-CB 3.28Å; Q1939-K1942 PolarHBondContact O-N 3.17Å; Q1939-L1943 WeakPolarHBondContact O-CG 3.47Å; Q1939-L1943 PolarHBondContact O-N 2.96Å; Q1939-F2056 HydrophobicContact CB-CE2 4.3Å; Q1939-F2056 HydrophobicContact CB-CZ 4.4Å |
| 1940 | L | 76.4 | Confident | 75.7 | Confident | 53 Ų | 53 | 40.7 Ų | 40.7 | 28% | 0.277 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.5 | -41 | 177.9 | -165.4 | 156.8 | 0 | 0 | 0 | 111.5 | L1898 N1936 L1937 R1944 | L1898-L1940 HydrophobicContact CD1-CD2 3.27Å; L1898-L1940 HydrophobicContact CD2-CD2 4.43Å; L1898-L1940 HydrophobicContact CG-CD2 3.59Å; N1936-L1940 PolarHBondContact O-N 3.31Å; N1936-L1940 VanDerWaalsContact O-N 3.1Å; L1937-L1940 PolarHBondContact O-N 3.36Å; L1940-R1944 PolarHBondContact O-N 3.06Å |
| 1941 | L | 83.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.8 | -36.9 | 175.3 | -66.6 | 167.8 | 0 | 0 | 0 | 112.2 | L1898 L1937 A1938 R1944 G1945 V1951 L1954 L1982 M2210 A2211 | L1898-L1941 HydrophobicContact CD1-CD2 3.89Å; L1898-L1941 HydrophobicContact CD2-CD2 4.27Å; L1937-L1941 HydrophobicContact CD1-CD1 4.12Å; L1937-L1941 HydrophobicContact CD1-CG 4.2Å; L1937-L1941 HydrophobicContact CG-CD1 3.86Å; L1937-L1941 HydrophobicContact CG-CG 4.41Å; L1937-L1941 WeakPolarHBondContact O-CB 3.44Å; L1937-L1941 WeakPolarHBondContact O-CG 3.47Å; L1937-L1941 PolarHBondContact O-N 2.72Å; A1938-L1941 PolarHBondContact O-N 3.29Å; L1941-R1944 PolarHBondContact O-N 2.9Å; L1941-G1945 PolarHBondContact O-N 3.48Å; L1941-V1951 HydrophobicContact CD2-CG1 3.35Å; L1941-L1954 HydrophobicContact CD2-CD1 3.87Å; L1941-L1982 HydrophobicContact CD2-CD2 4.28Å; L1941-M2210 HydrophobicContact CB-CE 4.1Å; L1941-M2210 HydrophobicContact CD1-CB 3.76Å; L1941-M2210 HydrophobicContact CD1-CE 4.46Å; L1941-M2210 HydrophobicContact CD2-CE 4.09Å; L1941-M2210 HydrophobicContact CG-CE 4.45Å; L1941-A2211 HydrophobicContact CD1-CB 4.2Å |
| 1942 | K | 81.5 | Confident | 74.6 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 12% | 0.122 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -56.5 | 172.1 | 177.4 | -179.9 | 165.3 | -167.8 | 0 | 110.9 | A1938 Q1939 R1944 G1945 T1946 E2060 Y2204 Y2207 | A1938-K1942 WeakPolarHBondContact O-CB 3.44Å; A1938-K1942 PolarHBondContact O-N 3.24Å; Q1939-K1942 WeakPolarHBondContact O-CB 3.28Å; Q1939-K1942 PolarHBondContact O-N 3.17Å; K1942-R1944 PolarHBondContact O-N 3.3Å; K1942-R1944 VanDerWaalsContact O-N 3.15Å; K1942-G1945 PolarHBondContact O-N 3.39Å; K1942-T1946 PolarHBondContact O-N 2.95Å; K1942-T1946 PolarHBondContact O-OG1 3.44Å; K1942-E2060 IonicContact NZ-OE2 2.63Å; K1942-E2060 PolarHBondContact NZ-OE2 3.39Å; K1942-Y2204 HydrophobicContact CD-CD1 4.35Å; K1942-Y2204 HydrophobicContact CD-CE1 4.09Å; K1942-Y2204 PolarHBondContact NZ-OH 3.14Å; K1942-Y2204 VanDerWaalsContact NZ-OH 3.15Å; K1942-Y2207 VanDerWaalsContact CA-CD1 3.48Å; K1942-Y2207 VanDerWaalsContact CA-CE1 3.47Å; K1942-Y2207 HydrophobicContact CB-CD1 3.91Å; K1942-Y2207 HydrophobicContact CB-CD2 3.74Å; K1942-Y2207 HydrophobicContact CB-CE1 4.1Å; K1942-Y2207 HydrophobicContact CB-CE2 3.94Å; K1942-Y2207 HydrophobicContact CB-CG 3.73Å; K1942-Y2207 HydrophobicContact CD-CD2 4.2Å; K1942-Y2207 HydrophobicContact CD-CE2 4.23Å; K1942-Y2207 HydrophobicContact CG-CD2 3.85Å; K1942-Y2207 HydrophobicContact CG-CE1 4.47Å; K1942-Y2207 HydrophobicContact CG-CE2 3.65Å; K1942-Y2207 HydrophobicContact CG-CG 4.36Å |
| 1943 | L | 69 | Low | 74.3 | Confident | 86 Ų | 86 | 47.6 Ų | 47.6 | 45% | 0.45 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -53.6 | -38.5 | 179.7 | -73.1 | 166.2 | 0 | 0 | 0 | 113.1 | Q1939 | Q1939-L1943 WeakPolarHBondContact O-CG 3.47Å; Q1939-L1943 PolarHBondContact O-N 2.96Å |
| 1944 | R | 70 | Confident | 74.4 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.5 | -42.8 | 174.7 | -74.1 | -166.4 | 172.5 | -143.3 | -4.6 | 113.1 | L1940 L1941 K1942 T1946 K1947 D1948 R1949 P1950 V1951 | L1940-R1944 PolarHBondContact O-N 3.06Å; L1941-R1944 PolarHBondContact O-N 2.9Å; K1942-R1944 PolarHBondContact O-N 3.3Å; K1942-R1944 VanDerWaalsContact O-N 3.15Å; R1944-T1946 PolarHBondContact O-N 3.46Å; R1944-K1947 PolarHBondContact O-N 3.06Å; R1944-D1948 PolarHBondContact O-N 3.36Å; R1944-R1949 HydrophobicContact CB-CB 4.15Å; R1944-R1949 HydrophobicContact CG-CB 4.31Å; R1944-R1949 PolarHBondContact O-N 3.49Å; R1944-P1950 PolarHBondContact NH1-O 2.98Å; R1944-V1951 HydrophobicContact CB-CG2 4.01Å |
| 1945 | G | 65.8 | Low | 74.3 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -35.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1941 K1942 K1947 | L1941-G1945 PolarHBondContact O-N 3.48Å; K1942-G1945 PolarHBondContact O-N 3.39Å; G1945-K1947 VanDerWaalsContact C-N 3.3Å |
| 1946 | T | 64.2 | Low | 74 | Confident | 81 Ų | 81 | 51.2 Ų | 51.2 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.3 | -21.2 | 177.6 | -36.6 | 0 | 0 | 0 | 0 | 112.9 | K1942 R1944 | K1942-T1946 PolarHBondContact O-N 2.95Å; K1942-T1946 PolarHBondContact O-OG1 3.44Å; R1944-T1946 PolarHBondContact O-N 3.46Å |
| 1947 | K | 58.7 | Low | 74.4 | Confident | 81 Ų | 81 | 52.9 Ų | 52.9 | 35% | 0.352 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 15.1 | 179.9 | -66.5 | -164.9 | 174 | -162.6 | 0 | 113.9 | D1208 R1944 G1945 R1949 | D1208-K1947 IonicContact OD1-NZ 3.34Å; D1208-K1947 VanDerWaalsContact OD2-CE 3.32Å; D1208-K1947 WeakPolarHBondContact OD2-CE 3.46Å; D1208-K1947 IonicContact OD2-NZ 3.29Å; D1208-K1947 PolarHBondContact OD2-NZ 2.96Å; R1944-K1947 PolarHBondContact O-N 3.06Å; G1945-K1947 VanDerWaalsContact C-N 3.3Å; K1947-R1949 HydrophobicContact CB-CG 4.23Å; K1947-R1949 PolarHBondContact O-N 3.21Å; K1947-R1949 VanDerWaalsContact O-N 3.08Å |
| 1948 | D | 60.4 | Low | 74.8 | Confident | 150 Ų | 150 | 55.1 Ų | 55.1 | 80% | 0.802 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 29.9 | -176.6 | -68 | -38.2 | 0 | 0 | 0 | 114.6 | R1944 | R1944-D1948 PolarHBondContact O-N 3.36Š|
| 1949 | R | 66.5 | Low | 75.1 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | trans | -80 | 139.4 | 175.2 | -65.3 | -174.3 | -178.5 | 169.6 | 5.7 | 110.1 | D1208 R1944 K1947 V1951 | D1208-R1949 IonicContact OD1-NH2 3.77Å; D1208-R1949 IonicContact OD2-NH2 2.62Å; R1944-R1949 HydrophobicContact CB-CB 4.15Å; R1944-R1949 HydrophobicContact CG-CB 4.31Å; R1944-R1949 PolarHBondContact O-N 3.49Å; K1947-R1949 HydrophobicContact CB-CG 4.23Å; K1947-R1949 PolarHBondContact O-N 3.21Å; K1947-R1949 VanDerWaalsContact O-N 3.08Å; R1949-V1951 VanDerWaalsContact O-CG2 3.31Å; R1949-V1951 WeakPolarHBondContact O-CG2 3.29Å | ||
| 1950 | P | 64.4 | Low | 75.9 | Confident | 77 Ų | 77 | 55.7 Ų | 55.7 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | trans | -63.9 | 137.2 | -177.1 | 21.8 | -30.2 | 0 | 0 | 0 | 112.7 | R1944 | R1944-P1950 PolarHBondContact NH1-O 2.98Š| ||
| 1951 | V | 73.5 | Confident | 76.7 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | trans | -135.4 | 1.9 | 179.2 | -154.5 | 0 | 0 | 0 | 0 | 111.7 | L1898 L1941 R1944 R1949 E1953 L1954 R1981 L1982 M2210 | L1898-V1951 HydrophobicContact CD1-CG1 4.23Å; L1941-V1951 HydrophobicContact CD2-CG1 3.35Å; R1944-V1951 HydrophobicContact CB-CG2 4.01Å; R1949-V1951 VanDerWaalsContact O-CG2 3.31Å; R1949-V1951 WeakPolarHBondContact O-CG2 3.29Å; V1951-E1953 PolarHBondContact O-N 3.22Å; V1951-L1954 HydrophobicContact CG1-CD1 3.55Å; V1951-L1954 HydrophobicContact CG1-CG 4.45Å; V1951-R1981 CarbonylContact C-O 3.04Å; V1951-L1982 HydrophobicContact CG1-CD2 4.22Å; V1951-M2210 HydrophobicContact CG1-CE 4.4Å | ||
| 1952 | D | 73.5 | Confident | 77.2 | Confident | 87 Ų | 87 | 53.4 Ų | 53.4 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5.1 | -173.8 | 57.9 | -30.8 | 0 | 0 | 0 | 114 | L1954 R1981 L1982 G1983 | D1952-L1954 VanDerWaalsContact C-N 3.34Å; D1952-L1954 PolarHBondContact O-N 3.32Å; D1952-R1981 PolarHBondContact N-O 2.97Å; D1952-L1982 CarbonylContact C-O 3.56Å; D1952-G1983 VanDerWaalsContact O-CA 3.26Å; D1952-G1983 WeakPolarHBondContact O-CA 3.39Å |
| 1953 | E | 72.3 | Confident | 77.7 | Confident | 124 Ų | 124 | 52.1 Ų | 52.1 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -4.3 | 177.6 | -60.5 | -172.8 | 176.2 | 0 | 0 | 114.6 | V1951 P1956 | V1951-E1953 PolarHBondContact O-N 3.22Å; E1953-P1956 VanDerWaalsContact C-CD 3.44Å; E1953-P1956 WeakPolarHBondContact O-CD 3.47Å |
| 1954 | L | 80.3 | Confident | 78.8 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -80.9 | -43.9 | -171.1 | -71.6 | 172 | 0 | 0 | 0 | 114.6 | L1898 L1902 L1941 V1951 D1952 L1982 | L1898-L1954 HydrophobicContact CB-CD2 4.38Å; L1898-L1954 HydrophobicContact CD1-CD1 4.41Å; L1898-L1954 HydrophobicContact CD2-CD1 3.67Å; L1898-L1954 HydrophobicContact CD2-CD2 3.78Å; L1898-L1954 HydrophobicContact CD2-CG 4.33Å; L1902-L1954 HydrophobicContact CD1-CD2 3.67Å; L1941-L1954 HydrophobicContact CD2-CD1 3.87Å; V1951-L1954 HydrophobicContact CG1-CD1 3.55Å; V1951-L1954 HydrophobicContact CG1-CG 4.45Å; D1952-L1954 VanDerWaalsContact C-N 3.34Å; D1952-L1954 PolarHBondContact O-N 3.32Å; L1954-L1982 HydrophobicContact CB-CD2 4.12Å; L1954-L1982 HydrophobicContact CD1-CD2 3.54Å; L1954-L1982 HydrophobicContact CG-CD2 4.47Å |
| 1955 | L | 86.7 | Confident | 79.7 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -123.3 | 39 | -179.9 | -60.5 | -179.5 | 0 | 0 | 0 | 113.6 | G1957 K1958 M1979 L1982 G1984 L2213 V2217 | L1955-G1957 PolarHBondContact O-N 2.83Å; L1955-K1958 HydrophobicContact CB-CB 4.16Å; L1955-K1958 HydrophobicContact CB-CG 4.08Å; L1955-K1958 HydrophobicContact CD2-CG 4.34Å; L1955-K1958 WeakPolarHBondContact O-CB 3.4Å; L1955-K1958 PolarHBondContact O-N 3.13Å; L1955-K1958 VanDerWaalsContact O-N 3.12Å; L1955-M1979 HydrophobicContact CD1-CE 4.42Å; L1955-M1979 HydrophobicContact CD1-SD 3.91Å; L1955-L1982 WeakPolarHBondContact CA-O 3.37Å; L1955-L1982 HydrophobicContact CB-CB 4.14Å; L1955-L1982 HydrophobicContact CD1-CB 4.03Å; L1955-L1982 HydrophobicContact CD1-CD1 3.63Å; L1955-L1982 HydrophobicContact CD1-CG 4.48Å; L1955-L1982 HydrophobicContact CG-CB 4.12Å; L1955-L1982 HydrophobicContact CG-CD1 4.36Å; L1955-L1982 PolarHBondContact N-O 3.5Å; L1955-G1984 WeakPolarHBondContact O-CA 3.42Å; L1955-L2213 HydrophobicContact CD1-CB 4Å; L1955-V2217 HydrophobicContact CD1-CB 4.45Å; L1955-V2217 HydrophobicContact CD2-CB 3.88Å; L1955-V2217 HydrophobicContact CD2-CG1 3.89Å |
| 1956 | P | 81.8 | Confident | 80.5 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 129 | -177.6 | 26.1 | -34.5 | 0 | 0 | 0 | 110.9 | E1953 K1958 G1983 | E1953-P1956 VanDerWaalsContact C-CD 3.44Å; E1953-P1956 WeakPolarHBondContact O-CD 3.47Å; P1956-K1958 VanDerWaalsContact C-N 3.27Å; P1956-K1958 PolarHBondContact O-N 3.13Å; P1956-G1983 WeakPolarHBondContact CA-O 3.26Å |
| 1957 | G | 84.9 | Confident | 81.4 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 63% | 0.629 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 0.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1955 | L1955-G1957 PolarHBondContact O-N 2.83Š|
| 1958 | K | 90.9 | Very high | 82.8 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | trans | -79.3 | 144.1 | 174.4 | -60.9 | -65.6 | -172.5 | 170.8 | 0 | 111.2 | L1955 P1956 M1979 G1984 R1985 D2014 V2217 | L1955-K1958 HydrophobicContact CB-CB 4.16Å; L1955-K1958 HydrophobicContact CB-CG 4.08Å; L1955-K1958 HydrophobicContact CD2-CG 4.34Å; L1955-K1958 WeakPolarHBondContact O-CB 3.4Å; L1955-K1958 PolarHBondContact O-N 3.13Å; L1955-K1958 VanDerWaalsContact O-N 3.12Å; P1956-K1958 VanDerWaalsContact C-N 3.27Å; P1956-K1958 PolarHBondContact O-N 3.13Å; K1958-M1979 VanDerWaalsContact C-CE 3.45Å; K1958-M1979 HydrophobicContact CB-CE 3.47Å; K1958-M1979 VanDerWaalsContact CB-CE 3.47Å; K1958-M1979 WeakPolarHBondContact O-CE 3.31Å; K1958-G1984 CarbonylContact O-C 3.55Å; K1958-G1984 WeakPolarHBondContact O-CA 3.36Å; K1958-R1985 PolarHBondContact O-N 3.15Å; K1958-D2014 VanDerWaalsContact CA-OD2 3.29Å; K1958-D2014 WeakPolarHBondContact CA-OD2 3.49Å; K1958-D2014 HydrophobicContact CD-CB 4.21Å; K1958-V2217 HydrophobicContact CB-CG1 4.15Å; K1958-V2217 HydrophobicContact CD-CG1 3.7Å; K1958-V2217 HydrophobicContact CG-CG1 3.74Å | ||
| 1959 | I | 93.9 | Very high | 84 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 27% | 0.272 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.9 | 179.4 | -58.4 | 176.8 | 0 | 0 | 0 | 110.5 | R1985 I1987 A2013 D2014 V2015 | I1959-R1985 CarbonylContact C-O 3.57Å; I1959-R1985 WeakPolarHBondContact CA-O 3.2Å; I1959-R1985 HydrophobicContact CG1-CB 4.4Å; I1959-I1987 HydrophobicContact CG2-CD1 4.09Å; I1959-I1987 HydrophobicContact CG2-CG1 4.05Å; I1959-I1987 HydrophobicContact CG2-CG2 3.99Å; I1959-A2013 HydrophobicContact CG2-CB 4.25Å; I1959-A2013 WeakPolarHBondContact O-CB 3.2Å; I1959-D2014 PolarHBondContact N-OD2 3.45Å; I1959-D2014 PolarHBondContact O-N 3.21Å; I1959-V2015 PolarHBondContact O-N 3.5Å |
| 1960 | M | 95.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.9 | 171.2 | -179.6 | -171.7 | 79.4 | 0 | 0 | 110 | F1975 M1979 R1985 V1986 I1987 V2015 V2017 L2213 | M1960-F1975 HydrophobicContact CE-CB 3.91Å; M1960-F1975 HydrophobicContact SD-CB 4.06Å; M1960-F1975 HydrophobicContact SD-CD1 4.14Å; M1960-F1975 HydrophobicContact SD-CG 4.48Å; M1960-M1979 HydrophobicContact CB-CB 4.38Å; M1960-M1979 HydrophobicContact CB-CE 4.09Å; M1960-M1979 HydrophobicContact CB-CG 3.78Å; M1960-M1979 HydrophobicContact CB-SD 3.98Å; M1960-M1979 HydrophobicContact CE-CB 4.31Å; M1960-M1979 HydrophobicContact SD-CB 4.22Å; M1960-R1985 PolarHBondContact N-O 3.29Å; M1960-V1986 HydrophobicContact CE-CB 4.45Å; M1960-V1986 HydrophobicContact CE-CG1 3.7Å; M1960-V1986 HydrophobicContact CE-CG2 3.97Å; M1960-V1986 WeakPolarHBondContact O-CA 3.02Å; M1960-I1987 PolarHBondContact O-N 3Å; M1960-V2015 WeakPolarHBondContact CA-O 3.36Å; M1960-V2015 HydrophobicContact CB-CG1 3.89Å; M1960-V2015 HydrophobicContact CG-CG1 3.94Å; M1960-V2017 HydrophobicContact CG-CG2 3.88Å; M1960-V2017 HydrophobicContact SD-CG2 3.56Å; M1960-V2017 VanDerWaalsContact SD-CG2 3.56Å; M1960-L2213 HydrophobicContact SD-CD1 4.26Å; M1960-L2213 HydrophobicContact SD-CD2 4.01Å |
| 1961 | A | 93.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | V1963 I1987 V2009 A2013 V2015 V2016 V2017 | A1961-V1963 HydrophobicContact CB-CG2 4.37Å; A1961-I1987 CarbonylContact C-O 3.55Å; A1961-I1987 WeakPolarHBondContact CA-O 3.22Å; A1961-I1987 HydrophobicContact CB-CD1 4.12Å; A1961-I1987 HydrophobicContact CB-CG1 3.85Å; A1961-V2009 HydrophobicContact CB-CG1 3.16Å; A1961-A2013 HydrophobicContact CB-CB 3.57Å; A1961-V2015 PolarHBondContact N-O 3.05Å; A1961-V2016 HydrophobicContact CB-CG1 4.44Å; A1961-V2016 HydrophobicContact CB-CG2 4.32Å; A1961-V2016 CarbonylContact O-C 3.6Å; A1961-V2017 PolarHBondContact O-N 3.49Å |
| 1962 | S | 93.5 | Very high | 87.2 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 96.9 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | F1964 I1987 S1988 M1989 | S1962-F1964 WeakPolarHBondContact OG-CD2 3.38Å; S1962-F1964 WeakPolarHBondContact OG-CE2 3.31Å; S1962-I1987 PolarHBondContact N-O 2.84Å; S1962-S1988 WeakPolarHBondContact O-CA 3.39Å; S1962-M1989 PolarHBondContact O-N 3.43Å |
| 1963 | V | 92.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 102.4 | -177 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | A1961 Y1965 M1989 V2009 V2016 V2017 L2018 R2019 | A1961-V1963 HydrophobicContact CB-CG2 4.37Å; V1963-Y1965 HydrophobicContact CG1-CD2 4.18Å; V1963-Y1965 HydrophobicContact CG1-CE2 3.59Å; V1963-M1989 WeakPolarHBondContact CA-O 3.21Å; V1963-M1989 HydrophobicContact CG1-CG 4.48Å; V1963-M1989 HydrophobicContact CG1-SD 4.15Å; V1963-M1989 HydrophobicContact CG2-CB 4.34Å; V1963-M1989 HydrophobicContact CG2-SD 4.46Å; V1963-V2009 HydrophobicContact CG2-CG1 3.85Å; V1963-V2009 HydrophobicContact CG2-CG2 4.43Å; V1963-V2016 HydrophobicContact CG2-CG1 3.86Å; V1963-V2017 PolarHBondContact N-O 3.31Å; V1963-L2018 HydrophobicContact CB-CD1 3.88Å; V1963-L2018 HydrophobicContact CG1-CD1 3.61Å; V1963-L2018 CarbonylContact O-C 3.57Å; V1963-L2018 VanDerWaalsContact O-CA 3.31Å; V1963-L2018 WeakPolarHBondContact O-CA 3.44Å; V1963-R2019 PolarHBondContact O-N 3.16Å |
| 1964 | F | 92.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 102 | -175 | -81.6 | -113.5 | 0 | 0 | 0 | 111.1 | S1962 E1966 T1971 Q1972 M1989 D1990 V2017 R2019 A2040 | S1962-F1964 WeakPolarHBondContact OG-CD2 3.38Å; S1962-F1964 WeakPolarHBondContact OG-CE2 3.31Å; F1964-E1966 VanDerWaalsContact C-N 3.35Å; F1964-T1971 HydrophobicContact CE1-CG2 4.15Å; F1964-T1971 HydrophobicContact CZ-CG2 3.98Å; F1964-Q1972 HydrophobicContact CD1-CB 4.26Å; F1964-Q1972 HydrophobicContact CD2-CB 4.48Å; F1964-Q1972 HydrophobicContact CD2-CG 4.28Å; F1964-Q1972 HydrophobicContact CE1-CB 4Å; F1964-Q1972 HydrophobicContact CE2-CB 4.24Å; F1964-Q1972 HydrophobicContact CE2-CG 4.3Å; F1964-Q1972 HydrophobicContact CZ-CB 3.99Å; F1964-M1989 PolarHBondContact N-O 2.93Å; F1964-D1990 WeakPolarHBondContact O-CA 3.48Å; F1964-V2017 HydrophobicContact CE2-CG1 3.95Å; F1964-V2017 HydrophobicContact CZ-CG1 4.22Å; F1964-R2019 HydrophobicContact CD1-CB 3.62Å; F1964-R2019 HydrophobicContact CD1-CG 4.24Å; F1964-R2019 HydrophobicContact CE1-CB 3.81Å; F1964-R2019 HydrophobicContact CE1-CG 4.38Å; F1964-R2019 HydrophobicContact CG-CB 4.01Å; F1964-R2019 HydrophobicContact CZ-CB 4.37Å; F1964-A2040 HydrophobicContact CE1-CB 4.38Å; F1964-A2040 HydrophobicContact CZ-CB 3.88Å |
| 1965 | Y | 88.1 | Confident | 89.8 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 9% | 0.094 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -81 | -19.2 | 171.9 | -67.7 | -83 | 0 | 0 | 0 | 113 | V1963 M1989 N1991 V1996 L2002 L2018 R2019 H2020 | V1963-Y1965 HydrophobicContact CG1-CD2 4.18Å; V1963-Y1965 HydrophobicContact CG1-CE2 3.59Å; Y1965-M1989 WeakPolarHBondContact OH-CE 3.21Å; Y1965-N1991 HydrophobicContact CD1-CB 3.87Å; Y1965-V1996 HydrophobicContact CD1-CG1 4.45Å; Y1965-V1996 HydrophobicContact CE1-CB 3.83Å; Y1965-V1996 HydrophobicContact CE1-CG1 3.83Å; Y1965-V1996 HydrophobicContact CE1-CG2 3.41Å; Y1965-V1996 VanDerWaalsContact CE1-CG2 3.41Å; Y1965-V1996 WeakPolarHBondContact OH-CG2 3.28Å; Y1965-L2002 HydrophobicContact CD2-CD1 4.48Å; Y1965-L2002 HydrophobicContact CE2-CD1 3.64Å; Y1965-L2018 HydrophobicContact CD2-CD1 3.94Å; Y1965-L2018 HydrophobicContact CE2-CD1 3.89Å; Y1965-R2019 PolarHBondContact N-O 3.02Å; Y1965-H2020 AromaticContact CD2-CD2 3.58Å; Y1965-H2020 AromaticContact CG-CD2 3.91Å |
| 1966 | E | 83.5 | Confident | 90.1 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 16% | 0.159 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -118.3 | 127.1 | 174.4 | -168.3 | -170.5 | -177.4 | 0 | 0 | 108.7 | F1964 R2019 R2080 R2146 | F1964-E1966 VanDerWaalsContact C-N 3.35Å; E1966-R2019 HydrophobicContact CB-CG 4.26Å; E1966-R2019 WeakPolarHBondContact O-CD 3.18Å; E1966-R2019 IonicContact OE2-NE 3.84Å; E1966-R2019 PolarHBondContact OE2-NE 3.23Å; E1966-R2080 IonicContact OE1-CZ 3.79Å; E1966-R2080 IonicContact OE1-NH1 2.75Å; E1966-R2080 IonicContact OE1-NH2 2.67Å; E1966-R2080 PolarHBondContact OE1-NH2 3.18Å; E1966-R2080 IonicContact OE2-CZ 2.79Å; E1966-R2080 VanDerWaalsContact OE2-CZ 3.25Å; E1966-R2080 IonicContact OE2-NH1 3.93Å; E1966-R2080 PolarHBondContact OE2-NH1 3.32Å; E1966-R2080 IonicContact OE2-NH2 3.63Å; E1966-R2080 PolarHBondContact OE2-NH2 3.29Å; E1966-R2146 IonicContact OE1-NH2 2.79Å |
| 1967 | V | 82.5 | Confident | 90.5 | Very high | 133 Ų | 133 | 36.2 Ų | 36.2 | 81% | 0.806 | 22% | 0.218 | S | C | * | . | trans | -65.8 | 138.9 | -171.7 | -66.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1968 | S | 87.7 | Confident | 90.9 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | trans | -163.2 | 104.8 | 175.3 | 167.8 | 0 | 0 | 0 | 0 | 113.3 | R1970 T1971 Q1972 R2019 | S1968-R1970 PolarHBondContact O-N 3.41Å; S1968-T1971 WeakPolarHBondContact OG-CB 3.49Å; S1968-T1971 PolarHBondContact OG-N 2.95Å; S1968-T1971 PolarHBondContact OG-OG1 3.47Å; S1968-Q1972 WeakPolarHBondContact O-CB 3.39Å; S1968-Q1972 PolarHBondContact O-N 3.21Å; S1968-Q1972 VanDerWaalsContact O-N 3.14Å; S1968-R2019 VanDerWaalsContact CB-CZ 3.44Å; S1968-R2019 PolarHBondContact OG-NH1 3.4Å | ||
| 1969 | T | 86.8 | Confident | 91 | Very high | 106 Ų | 106 | 31 Ų | 31 | 65% | 0.65 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -55.7 | -53 | 174.7 | -45 | 0 | 0 | 0 | 0 | 112.4 | C1973 | T1969-C1973 WeakPolarHBondContact O-CB 3.36Å; T1969-C1973 PolarHBondContact O-N 3.42Å; T1969-C1973 PolarHBondContact O-SG 3.1Å |
| 1970 | R | 88.9 | Confident | 90.9 | Very high | 75 Ų | 75 | 33.5 Ų | 33.5 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.1 | -54.5 | -171.9 | -66.5 | 173.6 | -58.9 | -79.4 | -11.3 | 112.6 | S1968 S1974 P2179 L2180 P2181 | S1968-R1970 PolarHBondContact O-N 3.41Å; R1970-S1974 WeakPolarHBondContact O-CB 3.33Å; R1970-S1974 PolarHBondContact O-N 3.41Å; R1970-S1974 PolarHBondContact O-OG 2.96Å; R1970-P2179 VanDerWaalsContact CZ-O 3.31Å; R1970-P2179 PolarHBondContact NE-O 3.03Å; R1970-P2179 PolarHBondContact NH2-O 3.14Å; R1970-L2180 VanDerWaalsContact NH1-CB 3.26Å; R1970-L2180 PolarHBondContact NH2-O 3.18Å; R1970-P2181 VanDerWaalsContact NH2-CD 3.32Å |
| 1971 | T | 90.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | -177.9 | -48 | 0 | 0 | 0 | 0 | 111.4 | F1964 S1968 S1974 F1975 R2019 A2040 | F1964-T1971 HydrophobicContact CE1-CG2 4.15Å; F1964-T1971 HydrophobicContact CZ-CG2 3.98Å; S1968-T1971 WeakPolarHBondContact OG-CB 3.49Å; S1968-T1971 PolarHBondContact OG-N 2.95Å; S1968-T1971 PolarHBondContact OG-OG1 3.47Å; T1971-S1974 PolarHBondContact O-OG 3.27Å; T1971-S1974 VanDerWaalsContact O-OG 3.1Å; T1971-F1975 HydrophobicContact CG2-CD2 3.94Å; T1971-F1975 HydrophobicContact CG2-CE2 3.95Å; T1971-F1975 VanDerWaalsContact O-CD2 3.28Å; T1971-F1975 WeakPolarHBondContact O-CD2 3.38Å; T1971-F1975 PolarHBondContact O-N 3.34Å; T1971-R2019 PolarHBondContact OG1-NH1 3.38Å; T1971-A2040 HydrophobicContact CG2-CB 3.83Å |
| 1972 | Q | 92.1 | Very high | 90.4 | Very high | 60 Ų | 60 | 38.9 Ų | 38.9 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.3 | -52 | -179.6 | -172 | -179.7 | 12.8 | 0 | 0 | 112 | F1964 S1968 S1974 F1975 A1976 | F1964-Q1972 HydrophobicContact CD1-CB 4.26Å; F1964-Q1972 HydrophobicContact CD2-CB 4.48Å; F1964-Q1972 HydrophobicContact CD2-CG 4.28Å; F1964-Q1972 HydrophobicContact CE1-CB 4Å; F1964-Q1972 HydrophobicContact CE2-CB 4.24Å; F1964-Q1972 HydrophobicContact CE2-CG 4.3Å; F1964-Q1972 HydrophobicContact CZ-CB 3.99Å; S1968-Q1972 WeakPolarHBondContact O-CB 3.39Å; S1968-Q1972 PolarHBondContact O-N 3.21Å; S1968-Q1972 VanDerWaalsContact O-N 3.14Å; Q1972-S1974 PolarHBondContact O-N 2.98Å; Q1972-F1975 PolarHBondContact O-N 2.87Å; Q1972-A1976 WeakPolarHBondContact O-CB 3.26Å; Q1972-A1976 PolarHBondContact O-N 3.31Å |
| 1973 | C | 91.9 | Very high | 90.1 | Very high | 71 Ų | 71 | 39.9 Ų | 39.9 | 48% | 0.48 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.9 | -37.6 | -176.6 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | T1969 A1976 A1977 | T1969-C1973 WeakPolarHBondContact O-CB 3.36Å; T1969-C1973 PolarHBondContact O-N 3.42Å; T1969-C1973 PolarHBondContact O-SG 3.1Å; C1973-A1976 PolarHBondContact O-N 3.01Å; C1973-A1977 VanDerWaalsContact O-CB 3.25Å; C1973-A1977 WeakPolarHBondContact O-CB 3.47Å; C1973-A1977 PolarHBondContact O-N 3.31Å |
| 1974 | S | 93.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 40 Ų | 40 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | 178.5 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | R1970 T1971 Q1972 A1978 R2209 | R1970-S1974 WeakPolarHBondContact O-CB 3.33Å; R1970-S1974 PolarHBondContact O-N 3.41Å; R1970-S1974 PolarHBondContact O-OG 2.96Å; T1971-S1974 PolarHBondContact O-OG 3.27Å; T1971-S1974 VanDerWaalsContact O-OG 3.1Å; Q1972-S1974 PolarHBondContact O-N 2.98Å; S1974-A1978 WeakPolarHBondContact O-CB 3.41Å; S1974-A1978 PolarHBondContact O-N 3.33Å; S1974-R2209 VanDerWaalsContact CB-NH1 3.32Å; S1974-R2209 WeakPolarHBondContact OG-CD 3.36Å; S1974-R2209 PolarHBondContact OG-NE 2.91Å; S1974-R2209 PolarHBondContact OG-NH1 3.28Å |
| 1975 | F | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 170.6 | -93.3 | -68.2 | 0 | 0 | 0 | 111.2 | M1960 T1971 Q1972 A1978 M1979 V2017 I2038 A2040 T2049 R2209 L2213 | M1960-F1975 HydrophobicContact CE-CB 3.91Å; M1960-F1975 HydrophobicContact SD-CB 4.06Å; M1960-F1975 HydrophobicContact SD-CD1 4.14Å; M1960-F1975 HydrophobicContact SD-CG 4.48Å; T1971-F1975 HydrophobicContact CG2-CD2 3.94Å; T1971-F1975 HydrophobicContact CG2-CE2 3.95Å; T1971-F1975 VanDerWaalsContact O-CD2 3.28Å; T1971-F1975 WeakPolarHBondContact O-CD2 3.38Å; T1971-F1975 PolarHBondContact O-N 3.34Å; Q1972-F1975 PolarHBondContact O-N 2.87Å; F1975-A1978 PolarHBondContact O-N 2.86Å; F1975-M1979 WeakPolarHBondContact O-CB 3.42Å; F1975-M1979 PolarHBondContact O-N 2.85Å; F1975-V2017 HydrophobicContact CD1-CG1 4.44Å; F1975-V2017 HydrophobicContact CD1-CG2 3.82Å; F1975-V2017 HydrophobicContact CD2-CG1 3.68Å; F1975-V2017 HydrophobicContact CE1-CG2 3.97Å; F1975-V2017 HydrophobicContact CE2-CG1 3.76Å; F1975-V2017 HydrophobicContact CG-CG1 4.05Å; F1975-V2017 HydrophobicContact CG-CG2 4.11Å; F1975-V2017 HydrophobicContact CZ-CG1 4.18Å; F1975-V2017 HydrophobicContact CZ-CG2 4.39Å; F1975-I2038 HydrophobicContact CE1-CD1 4.31Å; F1975-I2038 HydrophobicContact CE1-CG2 4.3Å; F1975-I2038 HydrophobicContact CZ-CG2 3.8Å; F1975-A2040 HydrophobicContact CE2-CB 4.37Å; F1975-T2049 HydrophobicContact CZ-CG2 4.05Å; F1975-R2209 HydrophobicContact CD1-CB 3.94Å; F1975-R2209 HydrophobicContact CD1-CG 3.97Å; F1975-R2209 HydrophobicContact CD2-CG 4.18Å; F1975-R2209 HydrophobicContact CE1-CB 3.91Å; F1975-R2209 HydrophobicContact CE1-CG 3.71Å; F1975-R2209 HydrophobicContact CE2-CG 3.93Å; F1975-R2209 HydrophobicContact CG-CB 4.45Å; F1975-R2209 HydrophobicContact CG-CG 4.19Å; F1975-R2209 HydrophobicContact CZ-CB 4.41Å; F1975-R2209 HydrophobicContact CZ-CG 3.69Å; F1975-L2213 HydrophobicContact CD1-CD1 4.22Å; F1975-L2213 HydrophobicContact CD1-CG 4.4Å |
| 1976 | A | 93 | Very high | 90.4 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1972 C1973 A1978 M1979 L1980 V1986 | Q1972-A1976 WeakPolarHBondContact O-CB 3.26Å; Q1972-A1976 PolarHBondContact O-N 3.31Å; C1973-A1976 PolarHBondContact O-N 3.01Å; A1976-A1978 VanDerWaalsContact C-N 3.34Å; A1976-A1978 PolarHBondContact O-N 3.15Å; A1976-M1979 PolarHBondContact O-N 3.49Å; A1976-L1980 WeakPolarHBondContact O-CB 3.22Å; A1976-L1980 VanDerWaalsContact O-CG 3.26Å; A1976-L1980 WeakPolarHBondContact O-CG 3.35Å; A1976-L1980 PolarHBondContact O-N 2.95Å; A1976-V1986 HydrophobicContact CB-CG1 4.26Å; A1976-V1986 HydrophobicContact CB-CG2 4.2Å |
| 1977 | A | 91.2 | Very high | 90.8 | Very high | 33 Ų | 33 | 51 Ų | 51 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1973 L1980 R1981 M2206 | C1973-A1977 VanDerWaalsContact O-CB 3.25Å; C1973-A1977 WeakPolarHBondContact O-CB 3.47Å; C1973-A1977 PolarHBondContact O-N 3.31Å; A1977-L1980 PolarHBondContact O-N 3.4Å; A1977-R1981 WeakPolarHBondContact O-CB 3.49Å; A1977-R1981 WeakPolarHBondContact O-CG 3.33Å; A1977-R1981 PolarHBondContact O-N 3.49Å; A1977-M2206 HydrophobicContact CB-SD 4.26Å |
| 1978 | A | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1974 F1975 A1976 L1980 R1981 L1982 M2206 R2209 M2210 L2213 | S1974-A1978 WeakPolarHBondContact O-CB 3.41Å; S1974-A1978 PolarHBondContact O-N 3.33Å; F1975-A1978 PolarHBondContact O-N 2.86Å; A1976-A1978 VanDerWaalsContact C-N 3.34Å; A1976-A1978 PolarHBondContact O-N 3.15Å; A1978-L1980 PolarHBondContact O-N 3.28Å; A1978-R1981 PolarHBondContact O-N 3.04Å; A1978-L1982 WeakPolarHBondContact O-CD1 3.37Å; A1978-L1982 WeakPolarHBondContact O-CG 3.22Å; A1978-L1982 PolarHBondContact O-N 2.92Å; A1978-M2206 HydrophobicContact CB-CG 4.44Å; A1978-R2209 HydrophobicContact CB-CB 3.99Å; A1978-M2210 HydrophobicContact CB-CB 4.27Å; A1978-M2210 HydrophobicContact CB-CG 3.42Å; A1978-M2210 VanDerWaalsContact CB-CG 3.42Å; A1978-L2213 HydrophobicContact CB-CD1 3.9Å |
| 1979 | M | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 178.8 | -169.2 | 66.3 | 176.4 | 0 | 0 | 112 | L1955 K1958 M1960 F1975 A1976 L1982 G1983 G1984 V1986 L2213 | L1955-M1979 HydrophobicContact CD1-CE 4.42Å; L1955-M1979 HydrophobicContact CD1-SD 3.91Å; K1958-M1979 VanDerWaalsContact C-CE 3.45Å; K1958-M1979 HydrophobicContact CB-CE 3.47Å; K1958-M1979 VanDerWaalsContact CB-CE 3.47Å; K1958-M1979 WeakPolarHBondContact O-CE 3.31Å; M1960-M1979 HydrophobicContact CB-CB 4.38Å; M1960-M1979 HydrophobicContact CB-CE 4.09Å; M1960-M1979 HydrophobicContact CB-CG 3.78Å; M1960-M1979 HydrophobicContact CB-SD 3.98Å; M1960-M1979 HydrophobicContact CE-CB 4.31Å; M1960-M1979 HydrophobicContact SD-CB 4.22Å; F1975-M1979 WeakPolarHBondContact O-CB 3.42Å; F1975-M1979 PolarHBondContact O-N 2.85Å; A1976-M1979 PolarHBondContact O-N 3.49Å; M1979-L1982 PolarHBondContact O-N 2.96Å; M1979-G1983 PolarHBondContact O-N 2.99Å; M1979-G1984 WeakPolarHBondContact O-CA 3.49Å; M1979-G1984 PolarHBondContact O-N 2.89Å; M1979-V1986 HydrophobicContact CB-CG2 3.82Å; M1979-V1986 HydrophobicContact CG-CG2 4.05Å; M1979-L2213 HydrophobicContact CB-CD1 4.04Å; M1979-L2213 HydrophobicContact SD-CD1 4.16Å; M1979-L2213 HydrophobicContact SD-CD2 4.41Å |
| 1980 | L | 91.2 | Very high | 90.8 | Very high | 106 Ų | 106 | 48 Ų | 48 | 56% | 0.555 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.8 | -43.1 | 179 | -70.1 | 168.6 | 0 | 0 | 0 | 112.1 | A1976 A1977 A1978 L1982 G1983 V1986 | A1976-L1980 WeakPolarHBondContact O-CB 3.22Å; A1976-L1980 VanDerWaalsContact O-CG 3.26Å; A1976-L1980 WeakPolarHBondContact O-CG 3.35Å; A1976-L1980 PolarHBondContact O-N 2.95Å; A1977-L1980 PolarHBondContact O-N 3.4Å; A1978-L1980 PolarHBondContact O-N 3.28Å; L1980-L1982 PolarHBondContact O-N 3.27Å; L1980-G1983 PolarHBondContact O-N 2.82Å; L1980-V1986 HydrophobicContact CG-CG2 4.27Å |
| 1981 | R | 88.6 | Confident | 90.2 | Very high | 115 Ų | 115 | 48 Ų | 48 | 43% | 0.434 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -25.7 | 176.5 | -77.6 | -176.2 | 176.4 | -105.3 | 3.6 | 113.1 | V1951 D1952 A1977 A1978 G1983 M2206 M2210 | V1951-R1981 CarbonylContact C-O 3.04Å; D1952-R1981 PolarHBondContact N-O 2.97Å; A1977-R1981 WeakPolarHBondContact O-CB 3.49Å; A1977-R1981 WeakPolarHBondContact O-CG 3.33Å; A1977-R1981 PolarHBondContact O-N 3.49Å; A1978-R1981 PolarHBondContact O-N 3.04Å; R1981-G1983 VanDerWaalsContact C-N 3.32Å; R1981-M2206 PolarHBondContact NE-SD 3.36Å; R1981-M2210 HydrophobicContact CB-CE 4.09Å; R1981-M2210 HydrophobicContact CB-SD 4.4Å |
| 1982 | L | 90 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 3.1 | 175 | -62.7 | 169.5 | 0 | 0 | 0 | 113.4 | L1941 V1951 D1952 L1954 L1955 A1978 M1979 L1980 M2210 L2213 | L1941-L1982 HydrophobicContact CD2-CD2 4.28Å; V1951-L1982 HydrophobicContact CG1-CD2 4.22Å; D1952-L1982 CarbonylContact C-O 3.56Å; L1954-L1982 HydrophobicContact CB-CD2 4.12Å; L1954-L1982 HydrophobicContact CD1-CD2 3.54Å; L1954-L1982 HydrophobicContact CG-CD2 4.47Å; L1955-L1982 WeakPolarHBondContact CA-O 3.37Å; L1955-L1982 HydrophobicContact CB-CB 4.14Å; L1955-L1982 HydrophobicContact CD1-CB 4.03Å; L1955-L1982 HydrophobicContact CD1-CD1 3.63Å; L1955-L1982 HydrophobicContact CD1-CG 4.48Å; L1955-L1982 HydrophobicContact CG-CB 4.12Å; L1955-L1982 HydrophobicContact CG-CD1 4.36Å; L1955-L1982 PolarHBondContact N-O 3.5Å; A1978-L1982 WeakPolarHBondContact O-CD1 3.37Å; A1978-L1982 WeakPolarHBondContact O-CG 3.22Å; A1978-L1982 PolarHBondContact O-N 2.92Å; M1979-L1982 PolarHBondContact O-N 2.96Å; L1980-L1982 PolarHBondContact O-N 3.27Å; L1982-M2210 HydrophobicContact CD1-CB 4.02Å; L1982-M2210 HydrophobicContact CD1-CG 4.33Å; L1982-M2210 WeakPolarHBondContact CD1-O 3.48Å; L1982-M2210 HydrophobicContact CD2-CB 4.25Å; L1982-M2210 HydrophobicContact CD2-CE 3.86Å; L1982-M2210 HydrophobicContact CG-CB 4.28Å; L1982-M2210 HydrophobicContact CG-CE 4.24Å; L1982-M2210 HydrophobicContact CG-CG 4.29Å; L1982-L2213 HydrophobicContact CD1-CB 3.94Å; L1982-L2213 HydrophobicContact CD1-CD1 4.48Å |
| 1983 | G | 88.2 | Confident | 88.8 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 6.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | D1952 P1956 M1979 L1980 R1981 | D1952-G1983 VanDerWaalsContact O-CA 3.26Å; D1952-G1983 WeakPolarHBondContact O-CA 3.39Å; P1956-G1983 WeakPolarHBondContact CA-O 3.26Å; M1979-G1983 PolarHBondContact O-N 2.99Å; L1980-G1983 PolarHBondContact O-N 2.82Å; R1981-G1983 VanDerWaalsContact C-N 3.32Å |
| 1984 | G | 90.4 | Very high | 88.4 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | trans | -80.3 | 178 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1955 K1958 M1979 | L1955-G1984 WeakPolarHBondContact O-CA 3.42Å; K1958-G1984 CarbonylContact O-C 3.55Å; K1958-G1984 WeakPolarHBondContact O-CA 3.36Å; M1979-G1984 WeakPolarHBondContact O-CA 3.49Å; M1979-G1984 PolarHBondContact O-N 2.89Å | ||
| 1985 | R | 93.3 | Very high | 87.9 | Confident | 182 Ų | 182 | 55.3 Ų | 55.3 | 69% | 0.687 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 157.6 | 173.4 | -63.6 | -174.3 | -179.4 | -169.3 | -0 | 110.9 | K1958 I1959 M1960 | K1958-R1985 PolarHBondContact O-N 3.15Å; I1959-R1985 CarbonylContact C-O 3.57Å; I1959-R1985 WeakPolarHBondContact CA-O 3.2Å; I1959-R1985 HydrophobicContact CG1-CB 4.4Å; M1960-R1985 PolarHBondContact N-O 3.29Å |
| 1986 | V | 94.3 | Very high | 87.1 | Confident | 46 Ų | 46 | 57 Ų | 57 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.2 | -175.5 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | M1960 A1976 M1979 L1980 | M1960-V1986 HydrophobicContact CE-CB 4.45Å; M1960-V1986 HydrophobicContact CE-CG1 3.7Å; M1960-V1986 HydrophobicContact CE-CG2 3.97Å; M1960-V1986 WeakPolarHBondContact O-CA 3.02Å; A1976-V1986 HydrophobicContact CB-CG1 4.26Å; A1976-V1986 HydrophobicContact CB-CG2 4.2Å; M1979-V1986 HydrophobicContact CB-CG2 3.82Å; M1979-V1986 HydrophobicContact CG-CG2 4.05Å; L1980-V1986 HydrophobicContact CG-CG2 4.27Å |
| 1987 | I | 91.8 | Very high | 86.3 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 34% | 0.344 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.3 | 167.5 | 62.4 | 178.8 | 0 | 0 | 0 | 108.6 | I1959 M1960 A1961 S1962 A2013 | I1959-I1987 HydrophobicContact CG2-CD1 4.09Å; I1959-I1987 HydrophobicContact CG2-CG1 4.05Å; I1959-I1987 HydrophobicContact CG2-CG2 3.99Å; M1960-I1987 PolarHBondContact O-N 3Å; A1961-I1987 CarbonylContact C-O 3.55Å; A1961-I1987 WeakPolarHBondContact CA-O 3.22Å; A1961-I1987 HydrophobicContact CB-CD1 4.12Å; A1961-I1987 HydrophobicContact CB-CG1 3.85Å; S1962-I1987 PolarHBondContact N-O 2.84Å; I1987-A2013 HydrophobicContact CD1-CB 4.29Å |
| 1988 | S | 87.9 | Confident | 85.9 | Confident | 97 Ų | 97 | 71.2 Ų | 71.2 | 68% | 0.678 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.1 | -176.1 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | S1962 | S1962-S1988 WeakPolarHBondContact O-CA 3.39Å |
| 1989 | M | 85.8 | Confident | 85.3 | Confident | 29 Ų | 29 | 74.4 Ų | 74.4 | 14% | 0.143 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 134.5 | 175 | 179.7 | -175.3 | 161.9 | 0 | 0 | 108.8 | S1962 V1963 F1964 Y1965 V1996 V2009 | S1962-M1989 PolarHBondContact O-N 3.43Å; V1963-M1989 WeakPolarHBondContact CA-O 3.21Å; V1963-M1989 HydrophobicContact CG1-CG 4.48Å; V1963-M1989 HydrophobicContact CG1-SD 4.15Å; V1963-M1989 HydrophobicContact CG2-CB 4.34Å; V1963-M1989 HydrophobicContact CG2-SD 4.46Å; F1964-M1989 PolarHBondContact N-O 2.93Å; Y1965-M1989 WeakPolarHBondContact OH-CE 3.21Å; M1989-V1996 HydrophobicContact CE-CG2 4.23Å; M1989-V2009 HydrophobicContact SD-CG2 3.51Å; M1989-V2009 VanDerWaalsContact SD-CG2 3.51Å |
| 1990 | D | 82.5 | Confident | 85 | Confident | 57 Ų | 57 | 77.3 Ų | 77.3 | 31% | 0.305 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 176.1 | 175.7 | 65.2 | 35 | 0 | 0 | 0 | 111.6 | F1964 I1992 T1993 S1994 | F1964-D1990 WeakPolarHBondContact O-CA 3.48Å; D1990-I1992 PolarHBondContact O-N 2.85Å; D1990-I1992 WeakPolarHBondContact OD1-CA 3.4Å; D1990-I1992 PolarHBondContact OD1-N 2.89Å; D1990-T1993 VanDerWaalsContact CG-OG1 3.23Å; D1990-T1993 WeakPolarHBondContact OD1-CB 3.49Å; D1990-T1993 WeakPolarHBondContact OD1-CG2 3.26Å; D1990-T1993 PolarHBondContact OD1-N 2.78Å; D1990-T1993 PolarHBondContact OD1-OG1 2.79Å; D1990-S1994 WeakPolarHBondContact O-CB 3.33Å; D1990-S1994 PolarHBondContact O-N 2.8Å; D1990-S1994 PolarHBondContact O-OG 2.74Å |
| 1991 | N | 76.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 41% | 0.406 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.9 | -179.7 | -165.6 | 22.8 | 0 | 0 | 0 | 113.6 | Y1965 V1996 | Y1965-N1991 HydrophobicContact CD1-CB 3.87Å; N1991-V1996 WeakPolarHBondContact OD1-CG1 3.14Å |
| 1992 | I | 76.7 | Confident | 84.8 | Confident | 133 Ų | 133 | 69.7 Ų | 69.7 | 68% | 0.682 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -38.6 | -172.5 | -57.3 | 173.9 | 0 | 0 | 0 | 110.7 | D1990 | D1990-I1992 PolarHBondContact O-N 2.85Å; D1990-I1992 WeakPolarHBondContact OD1-CA 3.4Å; D1990-I1992 PolarHBondContact OD1-N 2.89Å |
| 1993 | T | 77.5 | Confident | 84.8 | Confident | 105 Ų | 105 | 71.8 Ų | 71.8 | 64% | 0.644 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -13.7 | -171.7 | 58 | 0 | 0 | 0 | 0 | 113.6 | D1990 | D1990-T1993 VanDerWaalsContact CG-OG1 3.23Å; D1990-T1993 WeakPolarHBondContact OD1-CB 3.49Å; D1990-T1993 WeakPolarHBondContact OD1-CG2 3.26Å; D1990-T1993 PolarHBondContact OD1-N 2.78Å; D1990-T1993 PolarHBondContact OD1-OG1 2.79Å |
| 1994 | S | 81.9 | Confident | 84.8 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 12% | 0.119 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -92.6 | 169 | -176.5 | 68.3 | 0 | 0 | 0 | 0 | 114.6 | D1990 V1996 K1997 | D1990-S1994 WeakPolarHBondContact O-CB 3.33Å; D1990-S1994 PolarHBondContact O-N 2.8Å; D1990-S1994 PolarHBondContact O-OG 2.74Å; S1994-V1996 PolarHBondContact O-N 2.74Å; S1994-V1996 VanDerWaalsContact O-N 3.09Å; S1994-V1996 PolarHBondContact OG-N 3.38Å; S1994-K1997 PolarHBondContact O-N 2.91Å |
| 1995 | S | 82.9 | Confident | 84.8 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 33% | 0.329 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -61.8 | -10 | 173.1 | -66.5 | 0 | 0 | 0 | 0 | 114 | K1997 K1998 G1999 E2000 | S1995-K1997 PolarHBondContact O-N 2.83Å; S1995-K1998 WeakPolarHBondContact O-CA 3.36Å; S1995-K1998 VanDerWaalsContact O-CB 3.32Å; S1995-K1998 WeakPolarHBondContact O-CB 3.41Å; S1995-K1998 PolarHBondContact O-N 2.82Å; S1995-G1999 PolarHBondContact O-N 2.96Å; S1995-E2000 WeakPolarHBondContact CB-OE2 3.4Å; S1995-E2000 WeakPolarHBondContact O-CB 3.31Å; S1995-E2000 PolarHBondContact O-N 2.85Å |
| 1996 | V | 77.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -61.5 | -30.1 | 173.2 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | Y1965 M1989 N1991 S1994 K1998 G1999 S2005 | Y1965-V1996 HydrophobicContact CD1-CG1 4.45Å; Y1965-V1996 HydrophobicContact CE1-CB 3.83Å; Y1965-V1996 HydrophobicContact CE1-CG1 3.83Å; Y1965-V1996 HydrophobicContact CE1-CG2 3.41Å; Y1965-V1996 VanDerWaalsContact CE1-CG2 3.41Å; Y1965-V1996 WeakPolarHBondContact OH-CG2 3.28Å; M1989-V1996 HydrophobicContact CE-CG2 4.23Å; N1991-V1996 WeakPolarHBondContact OD1-CG1 3.14Å; S1994-V1996 PolarHBondContact O-N 2.74Å; S1994-V1996 VanDerWaalsContact O-N 3.09Å; S1994-V1996 PolarHBondContact OG-N 3.38Å; V1996-K1998 PolarHBondContact O-N 3.06Å; V1996-K1998 VanDerWaalsContact O-N 3.16Å; V1996-G1999 PolarHBondContact O-N 3.45Å; V1996-S2005 WeakPolarHBondContact CG2-OG 3.19Å |
| 1997 | K | 77.2 | Confident | 84.4 | Confident | 169 Ų | 169 | 68 Ų | 68 | 74% | 0.735 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -59.1 | -26.6 | 170.3 | -172.7 | 176.7 | 179.3 | 179.9 | 0 | 113.1 | S1994 S1995 G1999 | S1994-K1997 PolarHBondContact O-N 2.91Å; S1995-K1997 PolarHBondContact O-N 2.83Å; K1997-G1999 VanDerWaalsContact C-N 3.34Å |
| 1998 | K | 82.7 | Confident | 84.2 | Confident | 186 Ų | 186 | 67.6 Ų | 67.6 | 81% | 0.809 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -88.2 | -1 | 175.7 | -56 | 176.7 | -178.3 | 172.6 | 0 | 112.8 | S1995 V1996 | S1995-K1998 WeakPolarHBondContact O-CA 3.36Å; S1995-K1998 VanDerWaalsContact O-CB 3.32Å; S1995-K1998 WeakPolarHBondContact O-CB 3.41Å; S1995-K1998 PolarHBondContact O-N 2.82Å; V1996-K1998 PolarHBondContact O-N 3.06Å; V1996-K1998 VanDerWaalsContact O-N 3.16Å |
| 1999 | G | 79.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 69% | 0.691 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | 19.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1995 V1996 K1997 | S1995-G1999 PolarHBondContact O-N 2.96Å; V1996-G1999 PolarHBondContact O-N 3.45Å; K1997-G1999 VanDerWaalsContact C-N 3.34Å |
| 2000 | E | 87.4 | Confident | 84.4 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 29% | 0.29 | 34% | 0.341 | S | S | . | . | trans | -61.6 | 135.7 | 172 | -172.1 | 175.2 | -104.2 | 0 | 0 | 111.1 | S1995 D2004 S2005 | S1995-E2000 WeakPolarHBondContact CB-OE2 3.4Å; S1995-E2000 WeakPolarHBondContact O-CB 3.31Å; S1995-E2000 PolarHBondContact O-N 2.85Å; E2000-D2004 HydrophobicContact CG-CB 3.97Å; E2000-S2005 WeakPolarHBondContact OE2-CA 3.44Å; E2000-S2005 WeakPolarHBondContact OE2-CB 3.45Å; E2000-S2005 PolarHBondContact OE2-OG 3.17Å | ||
| 2001 | S | 88.2 | Confident | 84.6 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | trans | -67.5 | 150.1 | 176.6 | 76.7 | 0 | 0 | 0 | 0 | 111 | E2003 D2004 S2005 | S2001-E2003 PolarHBondContact O-N 3.28Å; S2001-D2004 PolarHBondContact O-N 3.23Å; S2001-D2004 WeakPolarHBondContact OG-CB 3.36Å; S2001-D2004 PolarHBondContact OG-N 3.36Å; S2001-D2004 VanDerWaalsContact OG-N 3.11Å; S2001-D2004 PolarHBondContact OG-OD2 3.49Å; S2001-S2005 PolarHBondContact O-N 2.89Å; S2001-S2005 PolarHBondContact O-OG 3.31Å | ||
| 2002 | L | 88.8 | Confident | 85.3 | Confident | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.089 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.7 | -38.9 | 175.8 | 174.9 | 63.7 | 0 | 0 | 0 | 110.8 | Y1965 D2004 S2005 I2006 L2018 A2025 A2029 | Y1965-L2002 HydrophobicContact CD2-CD1 4.48Å; Y1965-L2002 HydrophobicContact CE2-CD1 3.64Å; L2002-D2004 PolarHBondContact O-N 2.9Å; L2002-S2005 PolarHBondContact O-N 2.79Å; L2002-I2006 HydrophobicContact CD1-CD1 4.42Å; L2002-I2006 HydrophobicContact CD1-CG1 3.86Å; L2002-I2006 HydrophobicContact CG-CG1 4.31Å; L2002-I2006 WeakPolarHBondContact O-CB 3.11Å; L2002-I2006 WeakPolarHBondContact O-CG1 3.48Å; L2002-I2006 PolarHBondContact O-N 2.79Å; L2002-L2018 HydrophobicContact CD1-CD1 4.38Å; L2002-L2018 HydrophobicContact CD1-CD2 4.37Å; L2002-A2025 HydrophobicContact CD2-CB 3.9Å; L2002-A2029 HydrophobicContact CD2-CB 4.26Å; L2002-A2029 HydrophobicContact CG-CB 4.35Å |
| 2003 | E | 89.4 | Confident | 86 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 179.9 | -63.7 | 78.3 | -174.6 | 0 | 0 | 112 | S2001 K2007 R2028 F2032 | S2001-E2003 PolarHBondContact O-N 3.28Å; E2003-K2007 WeakPolarHBondContact O-CG 3.41Å; E2003-K2007 PolarHBondContact O-N 3.48Å; E2003-K2007 VanDerWaalsContact O-N 3.17Å; E2003-R2028 IonicContact OE1-NH1 3.65Å; E2003-F2032 HydrophobicContact CB-CD1 4.36Å; E2003-F2032 HydrophobicContact CB-CD2 3.8Å; E2003-F2032 HydrophobicContact CB-CE1 4.49Å; E2003-F2032 HydrophobicContact CB-CE2 3.99Å; E2003-F2032 HydrophobicContact CB-CG 4Å; E2003-F2032 HydrophobicContact CB-CZ 4.31Å; E2003-F2032 HydrophobicContact CG-CD2 3.4Å; E2003-F2032 HydrophobicContact CG-CE1 4.43Å; E2003-F2032 HydrophobicContact CG-CE2 3.22Å; E2003-F2032 HydrophobicContact CG-CG 4.11Å; E2003-F2032 HydrophobicContact CG-CZ 3.78Å |
| 2004 | D | 88.7 | Confident | 86.7 | Confident | 79 Ų | 79 | 59 Ų | 59 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -74.4 | -44.6 | 178 | -65.6 | -37.4 | 0 | 0 | 0 | 111.8 | E2000 S2001 L2002 I2006 K2007 V2008 | E2000-D2004 HydrophobicContact CG-CB 3.97Å; S2001-D2004 PolarHBondContact O-N 3.23Å; S2001-D2004 WeakPolarHBondContact OG-CB 3.36Å; S2001-D2004 PolarHBondContact OG-N 3.36Å; S2001-D2004 VanDerWaalsContact OG-N 3.11Å; S2001-D2004 PolarHBondContact OG-OD2 3.49Å; L2002-D2004 PolarHBondContact O-N 2.9Å; D2004-I2006 VanDerWaalsContact C-N 3.25Å; D2004-I2006 PolarHBondContact O-N 3.01Å; D2004-K2007 PolarHBondContact O-N 3.32Å; D2004-V2008 WeakPolarHBondContact O-CG2 3.25Å; D2004-V2008 PolarHBondContact O-N 3.11Å |
| 2005 | S | 89.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.8 | -44.8 | 173.9 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | V1996 E2000 S2001 L2002 V2008 V2009 | V1996-S2005 WeakPolarHBondContact CG2-OG 3.19Å; E2000-S2005 WeakPolarHBondContact OE2-CA 3.44Å; E2000-S2005 WeakPolarHBondContact OE2-CB 3.45Å; E2000-S2005 PolarHBondContact OE2-OG 3.17Å; S2001-S2005 PolarHBondContact O-N 2.89Å; S2001-S2005 PolarHBondContact O-OG 3.31Å; L2002-S2005 PolarHBondContact O-N 2.79Å; S2005-V2008 PolarHBondContact O-N 3.08Å; S2005-V2009 WeakPolarHBondContact O-CB 3.46Å; S2005-V2009 VanDerWaalsContact O-CG2 3.28Å; S2005-V2009 WeakPolarHBondContact O-CG2 3.48Å; S2005-V2009 PolarHBondContact O-N 3.09Å |
| 2006 | I | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.8 | -36.7 | -178.2 | -67.3 | -71.1 | 0 | 0 | 0 | 111.9 | L2002 D2004 V2008 S2010 V2016 L2018 A2029 L2037 | L2002-I2006 HydrophobicContact CD1-CD1 4.42Å; L2002-I2006 HydrophobicContact CD1-CG1 3.86Å; L2002-I2006 HydrophobicContact CG-CG1 4.31Å; L2002-I2006 WeakPolarHBondContact O-CB 3.11Å; L2002-I2006 WeakPolarHBondContact O-CG1 3.48Å; L2002-I2006 PolarHBondContact O-N 2.79Å; D2004-I2006 VanDerWaalsContact C-N 3.25Å; D2004-I2006 PolarHBondContact O-N 3.01Å; I2006-V2008 VanDerWaalsContact C-N 3.33Å; I2006-V2008 PolarHBondContact O-N 3.03Å; I2006-S2010 WeakPolarHBondContact O-CB 3.38Å; I2006-S2010 PolarHBondContact O-N 2.86Å; I2006-S2010 PolarHBondContact O-OG 3.35Å; I2006-V2016 HydrophobicContact CD1-CG1 4.14Å; I2006-L2018 HydrophobicContact CD1-CD1 4.17Å; I2006-L2018 HydrophobicContact CD1-CD2 3.94Å; I2006-L2018 HydrophobicContact CG1-CD2 4.5Å; I2006-A2029 HydrophobicContact CD1-CB 4.4Å; I2006-A2029 HydrophobicContact CG1-CB 3.9Å; I2006-A2029 HydrophobicContact CG2-CB 4.33Å; I2006-L2037 HydrophobicContact CD1-CD1 4.41Å; I2006-L2037 HydrophobicContact CG2-CD1 4.12Å |
| 2007 | K | 88.4 | Confident | 88.7 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 172.1 | -79.7 | 173.9 | -173.1 | 162.6 | 0 | 112.1 | E2003 D2004 S2011 F2032 | E2003-K2007 WeakPolarHBondContact O-CG 3.41Å; E2003-K2007 PolarHBondContact O-N 3.48Å; E2003-K2007 VanDerWaalsContact O-N 3.17Å; D2004-K2007 PolarHBondContact O-N 3.32Å; K2007-S2011 PolarHBondContact O-N 3.44Å; K2007-S2011 PolarHBondContact O-OG 3.32Å; K2007-F2032 HydrophobicContact CG-CB 4.19Å; K2007-F2032 WeakPolarHBondContact CG-O 3.31Å |
| 2008 | V | 88.8 | Confident | 89.5 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.3 | -53.6 | 178.9 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | D2004 S2005 I2006 S2010 S2011 Y2012 | D2004-V2008 WeakPolarHBondContact O-CG2 3.25Å; D2004-V2008 PolarHBondContact O-N 3.11Å; S2005-V2008 PolarHBondContact O-N 3.08Å; I2006-V2008 VanDerWaalsContact C-N 3.33Å; I2006-V2008 PolarHBondContact O-N 3.03Å; V2008-S2010 VanDerWaalsContact C-N 3.33Å; V2008-S2010 PolarHBondContact O-N 3.17Å; V2008-S2011 VanDerWaalsContact O-CB 3.27Å; V2008-S2011 WeakPolarHBondContact O-CB 3.37Å; V2008-S2011 PolarHBondContact O-N 3.05Å; V2008-Y2012 HydrophobicContact CG1-CD2 4.43Å; V2008-Y2012 HydrophobicContact CG1-CE2 3.58Å |
| 2009 | V | 88.7 | Confident | 90 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -40.1 | -178.4 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | A1961 V1963 M1989 S2005 S2011 Y2012 A2013 V2016 | A1961-V2009 HydrophobicContact CB-CG1 3.16Å; V1963-V2009 HydrophobicContact CG2-CG1 3.85Å; V1963-V2009 HydrophobicContact CG2-CG2 4.43Å; M1989-V2009 HydrophobicContact SD-CG2 3.51Å; M1989-V2009 VanDerWaalsContact SD-CG2 3.51Å; S2005-V2009 WeakPolarHBondContact O-CB 3.46Å; S2005-V2009 VanDerWaalsContact O-CG2 3.28Å; S2005-V2009 WeakPolarHBondContact O-CG2 3.48Å; S2005-V2009 PolarHBondContact O-N 3.09Å; V2009-S2011 PolarHBondContact O-N 3.48Å; V2009-S2011 VanDerWaalsContact O-N 3.14Å; V2009-Y2012 PolarHBondContact O-N 2.91Å; V2009-A2013 PolarHBondContact O-N 3.23Å; V2009-V2016 HydrophobicContact CG1-CG1 4.34Å; V2009-V2016 HydrophobicContact CG1-CG2 4.18Å |
| 2010 | S | 88.4 | Confident | 90.6 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.9 | -12.7 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 113.2 | I2006 V2008 S2033 K2035 | I2006-S2010 WeakPolarHBondContact O-CB 3.38Å; I2006-S2010 PolarHBondContact O-N 2.86Å; I2006-S2010 PolarHBondContact O-OG 3.35Å; V2008-S2010 VanDerWaalsContact C-N 3.33Å; V2008-S2010 PolarHBondContact O-N 3.17Å; S2010-S2033 WeakPolarHBondContact CB-OG 3.18Å; S2010-S2033 WeakPolarHBondContact OG-CB 3.29Å; S2010-S2033 PolarHBondContact OG-OG 3.12Å; S2010-K2035 WeakPolarHBondContact O-CG 3.45Å |
| 2011 | S | 87.7 | Confident | 90.5 | Very high | 94 Ų | 94 | 36.1 Ų | 36.1 | 66% | 0.657 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -84 | -19.6 | 172.5 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | K2007 V2008 V2009 | K2007-S2011 PolarHBondContact O-N 3.44Å; K2007-S2011 PolarHBondContact O-OG 3.32Å; V2008-S2011 VanDerWaalsContact O-CB 3.27Å; V2008-S2011 WeakPolarHBondContact O-CB 3.37Å; V2008-S2011 PolarHBondContact O-N 3.05Å; V2009-S2011 PolarHBondContact O-N 3.48Å; V2009-S2011 VanDerWaalsContact O-N 3.14Å |
| 2012 | Y | 90 | Very high | 90.5 | Very high | 153 Ų | 153 | 36.5 Ų | 36.5 | 60% | 0.6 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -100.6 | -23 | -178.6 | -55.6 | -35.6 | 0 | 0 | 0 | 114.1 | V2008 V2009 | V2008-Y2012 HydrophobicContact CG1-CD2 4.43Å; V2008-Y2012 HydrophobicContact CG1-CE2 3.58Å; V2009-Y2012 PolarHBondContact O-N 2.91Å |
| 2013 | A | 92.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | trans | -116.2 | 157.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1959 A1961 I1987 V2009 K2035 | I1959-A2013 HydrophobicContact CG2-CB 4.25Å; I1959-A2013 WeakPolarHBondContact O-CB 3.2Å; A1961-A2013 HydrophobicContact CB-CB 3.57Å; I1987-A2013 HydrophobicContact CD1-CB 4.29Å; V2009-A2013 PolarHBondContact O-N 3.23Å; A2013-K2035 WeakPolarHBondContact O-CG 3.19Å | ||
| 2014 | D | 92.7 | Very high | 90.2 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -84.6 | -24.4 | 171.4 | -66.1 | -73.2 | 0 | 0 | 0 | 112.3 | K1958 I1959 P2036 V2217 | K1958-D2014 VanDerWaalsContact CA-OD2 3.29Å; K1958-D2014 WeakPolarHBondContact CA-OD2 3.49Å; K1958-D2014 HydrophobicContact CD-CB 4.21Å; I1959-D2014 PolarHBondContact N-OD2 3.45Å; I1959-D2014 PolarHBondContact O-N 3.21Å; D2014-P2036 WeakPolarHBondContact O-CD 3.39Å; D2014-V2217 HydrophobicContact CB-CG1 4.43Å |
| 2015 | V | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 143.1 | 177.2 | 55.5 | 0 | 0 | 0 | 0 | 110 | I1959 M1960 A1961 P2036 I2038 L2213 V2217 | I1959-V2015 PolarHBondContact O-N 3.5Å; M1960-V2015 WeakPolarHBondContact CA-O 3.36Å; M1960-V2015 HydrophobicContact CB-CG1 3.89Å; M1960-V2015 HydrophobicContact CG-CG1 3.94Å; A1961-V2015 PolarHBondContact N-O 3.05Å; V2015-P2036 WeakPolarHBondContact CA-O 3.2Å; V2015-P2036 HydrophobicContact CG2-CB 4.23Å; V2015-I2038 HydrophobicContact CG2-CD1 3.86Å; V2015-I2038 HydrophobicContact CG2-CG1 4.09Å; V2015-L2213 HydrophobicContact CG1-CD2 4.08Å; V2015-V2217 HydrophobicContact CB-CG2 3.84Å; V2015-V2217 HydrophobicContact CG1-CG2 3.59Å; V2015-V2217 HydrophobicContact CG2-CG2 4.43Å |
| 2016 | V | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.4 | 178.9 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | A1961 V1963 I2006 V2009 P2036 L2037 I2038 | A1961-V2016 HydrophobicContact CB-CG1 4.44Å; A1961-V2016 HydrophobicContact CB-CG2 4.32Å; A1961-V2016 CarbonylContact O-C 3.6Å; V1963-V2016 HydrophobicContact CG2-CG1 3.86Å; I2006-V2016 HydrophobicContact CD1-CG1 4.14Å; V2009-V2016 HydrophobicContact CG1-CG1 4.34Å; V2009-V2016 HydrophobicContact CG1-CG2 4.18Å; V2016-P2036 PolarHBondContact N-O 3.06Å; V2016-L2037 HydrophobicContact CB-CD1 4.47Å; V2016-L2037 HydrophobicContact CB-CG 4.25Å; V2016-L2037 HydrophobicContact CG1-CD1 4.43Å; V2016-L2037 HydrophobicContact CG1-CG 4.47Å; V2016-L2037 CarbonylContact O-C 3.47Å; V2016-L2037 VanDerWaalsContact O-CA 3.24Å; V2016-L2037 WeakPolarHBondContact O-CA 3.42Å; V2016-I2038 PolarHBondContact O-N 2.95Å |
| 2017 | V | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.9 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | M1960 A1961 V1963 F1964 F1975 I2038 A2040 | M1960-V2017 HydrophobicContact CG-CG2 3.88Å; M1960-V2017 HydrophobicContact SD-CG2 3.56Å; M1960-V2017 VanDerWaalsContact SD-CG2 3.56Å; A1961-V2017 PolarHBondContact O-N 3.49Å; V1963-V2017 PolarHBondContact N-O 3.31Å; F1964-V2017 HydrophobicContact CE2-CG1 3.95Å; F1964-V2017 HydrophobicContact CZ-CG1 4.22Å; F1975-V2017 HydrophobicContact CD1-CG1 4.44Å; F1975-V2017 HydrophobicContact CD1-CG2 3.82Å; F1975-V2017 HydrophobicContact CD2-CG1 3.68Å; F1975-V2017 HydrophobicContact CE1-CG2 3.97Å; F1975-V2017 HydrophobicContact CE2-CG1 3.76Å; F1975-V2017 HydrophobicContact CG-CG1 4.05Å; F1975-V2017 HydrophobicContact CG-CG2 4.11Å; F1975-V2017 HydrophobicContact CZ-CG1 4.18Å; F1975-V2017 HydrophobicContact CZ-CG2 4.39Å; V2017-I2038 HydrophobicContact CG2-CB 4.29Å; V2017-I2038 HydrophobicContact CG2-CD1 4.46Å; V2017-A2040 HydrophobicContact CG1-CB 3.6Å |
| 2018 | L | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.2 | -173.8 | 177.8 | 62.1 | 0 | 0 | 0 | 111.4 | V1963 Y1965 L2002 I2006 V2026 A2029 L2037 I2038 A2040 | V1963-L2018 HydrophobicContact CB-CD1 3.88Å; V1963-L2018 HydrophobicContact CG1-CD1 3.61Å; V1963-L2018 CarbonylContact O-C 3.57Å; V1963-L2018 VanDerWaalsContact O-CA 3.31Å; V1963-L2018 WeakPolarHBondContact O-CA 3.44Å; Y1965-L2018 HydrophobicContact CD2-CD1 3.94Å; Y1965-L2018 HydrophobicContact CE2-CD1 3.89Å; L2002-L2018 HydrophobicContact CD1-CD1 4.38Å; L2002-L2018 HydrophobicContact CD1-CD2 4.37Å; I2006-L2018 HydrophobicContact CD1-CD1 4.17Å; I2006-L2018 HydrophobicContact CD1-CD2 3.94Å; I2006-L2018 HydrophobicContact CG1-CD2 4.5Å; L2018-V2026 HydrophobicContact CB-CG2 4.39Å; L2018-V2026 HydrophobicContact CD2-CB 4.47Å; L2018-V2026 HydrophobicContact CD2-CG2 3.93Å; L2018-V2026 HydrophobicContact CG-CG2 3.96Å; L2018-A2029 HydrophobicContact CD2-CB 3.43Å; L2018-A2029 VanDerWaalsContact CD2-CB 3.43Å; L2018-L2037 HydrophobicContact CB-CD2 4.06Å; L2018-L2037 HydrophobicContact CB-CG 4.43Å; L2018-L2037 HydrophobicContact CD2-CD1 4.29Å; L2018-L2037 HydrophobicContact CD2-CD2 4.43Å; L2018-I2038 PolarHBondContact N-O 3.33Å; L2018-A2040 WeakPolarHBondContact O-CB 3.41Å; L2018-A2040 PolarHBondContact O-N 2.88Å |
| 2019 | R | 92.7 | Very high | 90.3 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.2 | 166.7 | -170.8 | 176.3 | 179.1 | 152 | -21.2 | 110.6 | V1963 F1964 Y1965 E1966 S1968 T1971 A2040 G2041 | V1963-R2019 PolarHBondContact O-N 3.16Å; F1964-R2019 HydrophobicContact CD1-CB 3.62Å; F1964-R2019 HydrophobicContact CD1-CG 4.24Å; F1964-R2019 HydrophobicContact CE1-CB 3.81Å; F1964-R2019 HydrophobicContact CE1-CG 4.38Å; F1964-R2019 HydrophobicContact CG-CB 4.01Å; F1964-R2019 HydrophobicContact CZ-CB 4.37Å; Y1965-R2019 PolarHBondContact N-O 3.02Å; E1966-R2019 HydrophobicContact CB-CG 4.26Å; E1966-R2019 WeakPolarHBondContact O-CD 3.18Å; E1966-R2019 IonicContact OE2-NE 3.84Å; E1966-R2019 PolarHBondContact OE2-NE 3.23Å; S1968-R2019 VanDerWaalsContact CB-CZ 3.44Å; S1968-R2019 PolarHBondContact OG-NH1 3.4Å; T1971-R2019 PolarHBondContact OG1-NH1 3.38Å; R2019-A2040 HydrophobicContact CB-CB 4.1Å; R2019-A2040 WeakPolarHBondContact CD-O 3.45Å; R2019-A2040 WeakPolarHBondContact CG-O 3.31Å; R2019-G2041 WeakPolarHBondContact CA-O 3.44Å; R2019-G2041 VanDerWaalsContact CG-O 3.32Å; R2019-G2041 WeakPolarHBondContact CG-O 3.22Å |
| 2020 | H | 91.9 | Very high | 90.4 | Very high | 25 Ų | 25 | 34.8 Ų | 34.8 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 144.7 | -173.3 | -164.7 | -87.6 | 0 | 0 | 0 | 112.1 | Y1965 S2022 A2025 G2041 D2042 G2043 | Y1965-H2020 AromaticContact CD2-CD2 3.58Å; Y1965-H2020 AromaticContact CG-CD2 3.91Å; H2020-S2022 PolarHBondContact CE1-OG 2.72Å; H2020-S2022 VanDerWaalsContact CE1-OG 3.31Å; H2020-S2022 WeakPolarHBondContact ND1-CB 3.29Å; H2020-S2022 PolarHBondContact ND1-N 2.61Å; H2020-S2022 VanDerWaalsContact ND1-N 3.12Å; H2020-S2022 PolarHBondContact O-N 3.3Å; H2020-A2025 HydrophobicContact CB-CB 3.89Å; H2020-A2025 WeakPolarHBondContact ND1-CB 3.42Å; H2020-G2041 PolarHBondContact N-O 3.17Å; H2020-D2042 CarbonylContact O-C 3.45Å; H2020-D2042 VanDerWaalsContact O-CA 3.23Å; H2020-D2042 WeakPolarHBondContact O-CA 3.34Å; H2020-G2043 PolarHBondContact O-N 2.94Å |
| 2021 | P | 85.6 | Confident | 90.4 | Very high | 55 Ų | 55 | 39.7 Ų | 39.7 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -73.7 | -21.4 | -178.6 | 27.3 | -36.3 | 0 | 0 | 0 | 114.9 | G2043 | P2021-G2043 WeakPolarHBondContact O-CA 3.43Š|
| 2022 | S | 87.3 | Confident | 90.5 | Very high | 50 Ų | 50 | 39 Ų | 39 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -92.2 | 129.5 | 179.4 | -46.1 | 0 | 0 | 0 | 0 | 112.4 | H2020 A2025 | H2020-S2022 PolarHBondContact CE1-OG 2.72Å; H2020-S2022 VanDerWaalsContact CE1-OG 3.31Å; H2020-S2022 WeakPolarHBondContact ND1-CB 3.29Å; H2020-S2022 PolarHBondContact ND1-N 2.61Å; H2020-S2022 VanDerWaalsContact ND1-N 3.12Å; H2020-S2022 PolarHBondContact O-N 3.3Å; S2022-A2025 WeakPolarHBondContact O-CB 3.31Å; S2022-A2025 PolarHBondContact O-N 3.27Å |
| 2023 | P | 85.1 | Confident | 90.5 | Very high | 73 Ų | 73 | 32.2 Ų | 32.2 | 47% | 0.474 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 143.7 | 171.7 | -22.7 | 33 | 0 | 0 | 0 | 113 | A2025 D2042 V2044 | P2023-A2025 PolarHBondContact O-N 3.05Å; P2023-A2025 VanDerWaalsContact O-N 3.14Å; P2023-D2042 WeakPolarHBondContact CA-O 3.19Å; P2023-V2044 HydrophobicContact CG-CG2 3.77Å |
| 2024 | G | 86.4 | Confident | 90.2 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 32% | 0.32 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | -4.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V2026 A2027 R2028 D2042 | G2024-V2026 VanDerWaalsContact C-N 3.27Å; G2024-V2026 PolarHBondContact O-N 2.96Å; G2024-A2027 PolarHBondContact O-N 3.43Å; G2024-R2028 WeakPolarHBondContact O-CG 3.37Å; G2024-R2028 PolarHBondContact O-N 2.89Å; G2024-D2042 WeakPolarHBondContact CA-OD2 3.42Å; G2024-D2042 PolarHBondContact N-OD2 2.61Å |
| 2025 | A | 88.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -33.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2002 H2020 S2022 P2023 R2028 A2029 | L2002-A2025 HydrophobicContact CD2-CB 3.9Å; H2020-A2025 HydrophobicContact CB-CB 3.89Å; H2020-A2025 WeakPolarHBondContact ND1-CB 3.42Å; S2022-A2025 WeakPolarHBondContact O-CB 3.31Å; S2022-A2025 PolarHBondContact O-N 3.27Å; P2023-A2025 PolarHBondContact O-N 3.05Å; P2023-A2025 VanDerWaalsContact O-N 3.14Å; A2025-R2028 PolarHBondContact O-N 3.01Å; A2025-A2029 WeakPolarHBondContact O-CB 3.21Å; A2025-A2029 PolarHBondContact O-N 3.2Å |
| 2026 | V | 91.2 | Very high | 90 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.6 | -41.4 | 178.4 | 172 | 0 | 0 | 0 | 0 | 111.5 | L1921 L2018 G2024 R2028 A2029 A2030 L2037 N2039 D2042 | L1921-V2026 HydrophobicContact CD2-CG1 3.88Å; L2018-V2026 HydrophobicContact CB-CG2 4.39Å; L2018-V2026 HydrophobicContact CD2-CB 4.47Å; L2018-V2026 HydrophobicContact CD2-CG2 3.93Å; L2018-V2026 HydrophobicContact CG-CG2 3.96Å; G2024-V2026 VanDerWaalsContact C-N 3.27Å; G2024-V2026 PolarHBondContact O-N 2.96Å; V2026-R2028 VanDerWaalsContact C-N 3.35Å; V2026-A2029 PolarHBondContact O-N 3.23Å; V2026-A2030 WeakPolarHBondContact O-CB 3.33Å; V2026-A2030 PolarHBondContact O-N 3.45Å; V2026-L2037 HydrophobicContact CG1-CD2 3.4Å; V2026-L2037 VanDerWaalsContact CG1-CD2 3.4Å; V2026-N2039 HydrophobicContact CB-CB 4.36Å; V2026-N2039 HydrophobicContact CG1-CB 3.57Å; V2026-D2042 HydrophobicContact CB-CB 4.3Å; V2026-D2042 HydrophobicContact CG2-CB 3.82Å |
| 2027 | A | 89 | Confident | 90 | Very high | 49 Ų | 49 | 46 Ų | 46 | 41% | 0.405 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G2024 A2030 T2031 | G2024-A2027 PolarHBondContact O-N 3.43Å; A2027-A2030 WeakPolarHBondContact O-CB 3.42Å; A2027-A2030 PolarHBondContact O-N 2.63Å; A2027-T2031 PolarHBondContact O-N 3.48Å |
| 2028 | R | 90 | Very high | 90 | Very high | 118 Ų | 118 | 46 Ų | 46 | 45% | 0.445 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -49.6 | 172.2 | -70.1 | -171.1 | -65.4 | 140.8 | -4.6 | 111.5 | E2003 G2024 A2025 V2026 A2030 T2031 F2032 | E2003-R2028 IonicContact OE1-NH1 3.65Å; G2024-R2028 WeakPolarHBondContact O-CG 3.37Å; G2024-R2028 PolarHBondContact O-N 2.89Å; A2025-R2028 PolarHBondContact O-N 3.01Å; V2026-R2028 VanDerWaalsContact C-N 3.35Å; R2028-A2030 VanDerWaalsContact C-N 3.28Å; R2028-A2030 PolarHBondContact O-N 2.92Å; R2028-T2031 PolarHBondContact O-N 2.92Å; R2028-T2031 VanDerWaalsContact O-N 3.15Å; R2028-T2031 PolarHBondContact O-OG1 2.86Å; R2028-F2032 VanDerWaalsContact O-CD2 3.28Å; R2028-F2032 WeakPolarHBondContact O-CD2 3.33Å |
| 2029 | A | 90.3 | Very high | 90 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.5 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L2002 I2006 L2018 A2025 V2026 T2031 F2032 S2033 L2037 | L2002-A2029 HydrophobicContact CD2-CB 4.26Å; L2002-A2029 HydrophobicContact CG-CB 4.35Å; I2006-A2029 HydrophobicContact CD1-CB 4.4Å; I2006-A2029 HydrophobicContact CG1-CB 3.9Å; I2006-A2029 HydrophobicContact CG2-CB 4.33Å; L2018-A2029 HydrophobicContact CD2-CB 3.43Å; L2018-A2029 VanDerWaalsContact CD2-CB 3.43Å; A2025-A2029 WeakPolarHBondContact O-CB 3.21Å; A2025-A2029 PolarHBondContact O-N 3.2Å; V2026-A2029 PolarHBondContact O-N 3.23Å; A2029-T2031 VanDerWaalsContact C-N 3.27Å; A2029-T2031 PolarHBondContact O-N 3.42Å; A2029-F2032 PolarHBondContact O-N 2.85Å; A2029-S2033 PolarHBondContact O-N 2.96Å; A2029-L2037 HydrophobicContact CB-CD1 3.98Å |
| 2030 | A | 90.3 | Very high | 90 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -34.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1919 L1921 V2026 A2027 R2028 F2032 S2033 | H1919-A2030 HydrophobicContact CB-CB 4.44Å; L1921-A2030 HydrophobicContact CD1-CB 3.87Å; L1921-A2030 HydrophobicContact CD2-CB 3.64Å; L1921-A2030 HydrophobicContact CG-CB 4.39Å; V2026-A2030 WeakPolarHBondContact O-CB 3.33Å; V2026-A2030 PolarHBondContact O-N 3.45Å; A2027-A2030 WeakPolarHBondContact O-CB 3.42Å; A2027-A2030 PolarHBondContact O-N 2.63Å; R2028-A2030 VanDerWaalsContact C-N 3.28Å; R2028-A2030 PolarHBondContact O-N 2.92Å; A2030-F2032 PolarHBondContact O-N 3.23Å; A2030-F2032 VanDerWaalsContact O-N 3.13Å; A2030-S2033 PolarHBondContact O-N 2.93Å |
| 2031 | T | 89.4 | Confident | 90 | Very high | 108 Ų | 108 | 43.9 Ų | 43.9 | 66% | 0.663 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.3 | 176.7 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | A2027 R2028 A2029 | A2027-T2031 PolarHBondContact O-N 3.48Å; R2028-T2031 PolarHBondContact O-N 2.92Å; R2028-T2031 VanDerWaalsContact O-N 3.15Å; R2028-T2031 PolarHBondContact O-OG1 2.86Å; A2029-T2031 VanDerWaalsContact C-N 3.27Å; A2029-T2031 PolarHBondContact O-N 3.42Å |
| 2032 | F | 88.9 | Confident | 90.1 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 35% | 0.346 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -2.7 | 179.5 | -60.9 | -79 | 0 | 0 | 0 | 113.7 | E2003 K2007 R2028 A2029 A2030 | E2003-F2032 HydrophobicContact CB-CD1 4.36Å; E2003-F2032 HydrophobicContact CB-CD2 3.8Å; E2003-F2032 HydrophobicContact CB-CE1 4.49Å; E2003-F2032 HydrophobicContact CB-CE2 3.99Å; E2003-F2032 HydrophobicContact CB-CG 4Å; E2003-F2032 HydrophobicContact CB-CZ 4.31Å; E2003-F2032 HydrophobicContact CG-CD2 3.4Å; E2003-F2032 HydrophobicContact CG-CE1 4.43Å; E2003-F2032 HydrophobicContact CG-CE2 3.22Å; E2003-F2032 HydrophobicContact CG-CG 4.11Å; E2003-F2032 HydrophobicContact CG-CZ 3.78Å; K2007-F2032 HydrophobicContact CG-CB 4.19Å; K2007-F2032 WeakPolarHBondContact CG-O 3.31Å; R2028-F2032 VanDerWaalsContact O-CD2 3.28Å; R2028-F2032 WeakPolarHBondContact O-CD2 3.33Å; A2029-F2032 PolarHBondContact O-N 2.85Å; A2030-F2032 PolarHBondContact O-N 3.23Å; A2030-F2032 VanDerWaalsContact O-N 3.13Å |
| 2033 | S | 90.3 | Very high | 89.9 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 8% | 0.077 | 20% | 0.202 | C | C | . | . | trans | -97 | 126.3 | 178.3 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | S2010 A2029 A2030 K2035 | S2010-S2033 WeakPolarHBondContact CB-OG 3.18Å; S2010-S2033 WeakPolarHBondContact OG-CB 3.29Å; S2010-S2033 PolarHBondContact OG-OG 3.12Å; A2029-S2033 PolarHBondContact O-N 2.96Å; A2030-S2033 PolarHBondContact O-N 2.93Å; S2033-K2035 PolarHBondContact O-N 3.37Å; S2033-K2035 PolarHBondContact OG-N 2.84Å; S2033-K2035 PolarHBondContact OG-O 3.41Å | ||
| 2034 | R | 85.6 | Confident | 89.7 | Confident | 247 Ų | 247 | 38.4 Ų | 38.4 | 93% | 0.932 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -81.5 | -1.6 | 170.3 | -65.9 | -176.4 | 180 | 178.1 | 0.3 | 113.1 | ||
| 2035 | K | 91.7 | Very high | 89.6 | Confident | 77 Ų | 77 | 37.9 Ų | 37.9 | 34% | 0.335 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -120 | 153.8 | -175.8 | -61.9 | -65.5 | -172.2 | 172.7 | 0 | 109.3 | H1919 S2010 A2013 S2033 L2037 | H1919-K2035 PolarHBondContact CE1-O 3.07Å; H1919-K2035 PolarHBondContact ND1-O 3.22Å; S2010-K2035 WeakPolarHBondContact O-CG 3.45Å; A2013-K2035 WeakPolarHBondContact O-CG 3.19Å; S2033-K2035 PolarHBondContact O-N 3.37Å; S2033-K2035 PolarHBondContact OG-N 2.84Å; S2033-K2035 PolarHBondContact OG-O 3.41Å; K2035-L2037 PolarHBondContact O-N 3.23Å |
| 2036 | P | 93 | Very high | 89.5 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | trans | -50.2 | 134.5 | 173.6 | -29 | 35.9 | 0 | 0 | 0 | 112 | D2014 V2015 V2016 V2216 | D2014-P2036 WeakPolarHBondContact O-CD 3.39Å; V2015-P2036 WeakPolarHBondContact CA-O 3.2Å; V2015-P2036 HydrophobicContact CG2-CB 4.23Å; V2016-P2036 PolarHBondContact N-O 3.06Å; P2036-V2216 HydrophobicContact CB-CG1 3.38Å; P2036-V2216 HydrophobicContact CG-CG1 4.02Å | ||
| 2037 | L | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.3 | -179.7 | -167.5 | 153.5 | 0 | 0 | 0 | 108.4 | H1919 I1920 L1921 I2006 V2016 L2018 V2026 A2029 K2035 | H1919-L2037 CarbonylContact C-O 3.44Å; H1919-L2037 VanDerWaalsContact CA-O 3.27Å; H1919-L2037 WeakPolarHBondContact CA-O 2.92Å; H1919-L2037 HydrophobicContact CB-CB 4.47Å; H1919-L2037 WeakPolarHBondContact CB-O 3.32Å; H1919-L2037 WeakPolarHBondContact ND1-CB 3.37Å; H1919-L2037 PolarHBondContact ND1-N 3.35Å; I1920-L2037 PolarHBondContact N-O 3.46Å; L1921-L2037 HydrophobicContact CD2-CD2 4.22Å; I2006-L2037 HydrophobicContact CD1-CD1 4.41Å; I2006-L2037 HydrophobicContact CG2-CD1 4.12Å; V2016-L2037 HydrophobicContact CB-CD1 4.47Å; V2016-L2037 HydrophobicContact CB-CG 4.25Å; V2016-L2037 HydrophobicContact CG1-CD1 4.43Å; V2016-L2037 HydrophobicContact CG1-CG 4.47Å; V2016-L2037 CarbonylContact O-C 3.47Å; V2016-L2037 VanDerWaalsContact O-CA 3.24Å; V2016-L2037 WeakPolarHBondContact O-CA 3.42Å; L2018-L2037 HydrophobicContact CB-CD2 4.06Å; L2018-L2037 HydrophobicContact CB-CG 4.43Å; L2018-L2037 HydrophobicContact CD2-CD1 4.29Å; L2018-L2037 HydrophobicContact CD2-CD2 4.43Å; V2026-L2037 HydrophobicContact CG1-CD2 3.4Å; V2026-L2037 VanDerWaalsContact CG1-CD2 3.4Å; A2029-L2037 HydrophobicContact CB-CD1 3.98Å; K2035-L2037 PolarHBondContact O-N 3.23Å |
| 2038 | I | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.6 | -178 | -58.7 | 177.7 | 0 | 0 | 0 | 109.4 | I1920 F1975 V2015 V2016 V2017 L2018 A2040 T2049 L2213 | I1920-I2038 HydrophobicContact CB-CB 4.49Å; I1920-I2038 HydrophobicContact CB-CG1 4.28Å; I1920-I2038 HydrophobicContact CB-CG2 4.29Å; I1920-I2038 HydrophobicContact CG1-CG1 4.22Å; F1975-I2038 HydrophobicContact CE1-CD1 4.31Å; F1975-I2038 HydrophobicContact CE1-CG2 4.3Å; F1975-I2038 HydrophobicContact CZ-CG2 3.8Å; V2015-I2038 HydrophobicContact CG2-CD1 3.86Å; V2015-I2038 HydrophobicContact CG2-CG1 4.09Å; V2016-I2038 PolarHBondContact O-N 2.95Å; V2017-I2038 HydrophobicContact CG2-CB 4.29Å; V2017-I2038 HydrophobicContact CG2-CD1 4.46Å; L2018-I2038 PolarHBondContact N-O 3.33Å; I2038-A2040 PolarHBondContact O-N 3.07Å; I2038-T2049 HydrophobicContact CG2-CG2 3.58Å; I2038-L2213 HydrophobicContact CD1-CD2 4.17Å |
| 2039 | N | 94.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.011 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 109.3 | 174.8 | -171.3 | -2.8 | 0 | 0 | 0 | 110.9 | I1920 L1921 V2026 G2041 D2042 E2046 P2048 T2049 | I1920-N2039 WeakPolarHBondContact O-CB 3.49Å; I1920-N2039 PolarHBondContact O-N 3.27Å; L1921-N2039 WeakPolarHBondContact O-CB 3.21Å; L1921-N2039 PolarHBondContact O-ND2 3.42Å; V2026-N2039 HydrophobicContact CB-CB 4.36Å; V2026-N2039 HydrophobicContact CG1-CB 3.57Å; N2039-G2041 WeakPolarHBondContact OD1-CA 3.44Å; N2039-G2041 PolarHBondContact OD1-N 3.08Å; N2039-D2042 PolarHBondContact ND2-OD1 3.25Å; N2039-E2046 PolarHBondContact ND2-O 3.21Å; N2039-P2048 HydrophobicContact CB-CG 3.82Å; N2039-T2049 PolarHBondContact O-OG1 3.42Å |
| 2040 | A | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 15.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | F1964 T1971 F1975 V2017 L2018 R2019 I2038 H2047 | F1964-A2040 HydrophobicContact CE1-CB 4.38Å; F1964-A2040 HydrophobicContact CZ-CB 3.88Å; T1971-A2040 HydrophobicContact CG2-CB 3.83Å; F1975-A2040 HydrophobicContact CE2-CB 4.37Å; V2017-A2040 HydrophobicContact CG1-CB 3.6Å; L2018-A2040 WeakPolarHBondContact O-CB 3.41Å; L2018-A2040 PolarHBondContact O-N 2.88Å; R2019-A2040 HydrophobicContact CB-CB 4.1Å; R2019-A2040 WeakPolarHBondContact CD-O 3.45Å; R2019-A2040 WeakPolarHBondContact CG-O 3.31Å; I2038-A2040 PolarHBondContact O-N 3.07Å; A2040-H2047 PolarHBondContact O-CE1 3.16Å; A2040-H2047 PolarHBondContact O-NE2 3.28Å; A2040-H2047 VanDerWaalsContact O-NE2 3.13Å |
| 2041 | G | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 123.1 | 129.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R2019 H2020 N2039 E2046 | R2019-G2041 WeakPolarHBondContact CA-O 3.44Å; R2019-G2041 VanDerWaalsContact CG-O 3.32Å; R2019-G2041 WeakPolarHBondContact CG-O 3.22Å; H2020-G2041 PolarHBondContact N-O 3.17Å; N2039-G2041 WeakPolarHBondContact OD1-CA 3.44Å; N2039-G2041 PolarHBondContact OD1-N 3.08Å; G2041-E2046 WeakPolarHBondContact CA-O 3.38Å |
| 2042 | D | 88.9 | Confident | 90.5 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 6% | 0.059 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 90.9 | 174.7 | 67 | -32.4 | 0 | 0 | 0 | 113.4 | H2020 P2023 G2024 V2026 N2039 V2044 G2045 E2046 | H2020-D2042 CarbonylContact O-C 3.45Å; H2020-D2042 VanDerWaalsContact O-CA 3.23Å; H2020-D2042 WeakPolarHBondContact O-CA 3.34Å; P2023-D2042 WeakPolarHBondContact CA-O 3.19Å; G2024-D2042 WeakPolarHBondContact CA-OD2 3.42Å; G2024-D2042 PolarHBondContact N-OD2 2.61Å; V2026-D2042 HydrophobicContact CB-CB 4.3Å; V2026-D2042 HydrophobicContact CG2-CB 3.82Å; N2039-D2042 PolarHBondContact ND2-OD1 3.25Å; D2042-V2044 PolarHBondContact O-N 3.21Å; D2042-G2045 WeakPolarHBondContact O-CA 3.34Å; D2042-G2045 PolarHBondContact O-N 2.79Å; D2042-E2046 PolarHBondContact N-O 2.91Å; D2042-E2046 PolarHBondContact OD1-N 2.67Å |
| 2043 | G | 82.7 | Confident | 90.7 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -126.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H2020 P2021 G2045 R2080 | H2020-G2043 PolarHBondContact O-N 2.94Å; P2021-G2043 WeakPolarHBondContact O-CA 3.43Å; G2043-G2045 VanDerWaalsContact C-N 3.32Å; G2043-R2080 VanDerWaalsContact O-CD 3.3Å; G2043-R2080 WeakPolarHBondContact O-CD 3.2Å |
| 2044 | V | 81.2 | Confident | 91 | Very high | 50 Ų | 50 | 22 Ų | 22 | 30% | 0.303 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 6 | 170.8 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | P2023 D2042 N2078 H2083 | P2023-V2044 HydrophobicContact CG-CG2 3.77Å; D2042-V2044 PolarHBondContact O-N 3.21Å; V2044-N2078 HydrophobicContact CG1-CB 4.15Å; V2044-H2083 PolarHBondContact O-CE1 3.38Å; V2044-H2083 PolarHBondContact O-ND1 3.16Å |
| 2045 | G | 83 | Confident | 91.4 | Very high | 20 Ų | 20 | 10.2 Ų | 10.2 | 21% | 0.206 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -72 | -115.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D2042 G2043 R2080 | D2042-G2045 WeakPolarHBondContact O-CA 3.34Å; D2042-G2045 PolarHBondContact O-N 2.79Å; G2043-G2045 VanDerWaalsContact C-N 3.32Å; G2045-R2080 WeakPolarHBondContact O-CB 3.26Å |
| 2046 | E | 88.4 | Confident | 91.4 | Very high | 22 Ų | 22 | 6.5 Ų | 6.5 | 10% | 0.103 | 4% | 0.041 | C | C | . | . | trans | -120.1 | 153.1 | -173 | -67.3 | -154.6 | -162.9 | 0 | 0 | 113.3 | A1922 V1923 N2039 G2041 D2042 S2084 R2087 | A1922-E2046 VanDerWaalsContact CA-OE2 3.26Å; A1922-E2046 WeakPolarHBondContact CA-OE2 3.26Å; A1922-E2046 WeakPolarHBondContact CB-OE2 3.29Å; V1923-E2046 WeakPolarHBondContact CG2-OE2 3.4Å; V1923-E2046 PolarHBondContact N-OE2 3.37Å; N2039-E2046 PolarHBondContact ND2-O 3.21Å; G2041-E2046 WeakPolarHBondContact CA-O 3.38Å; D2042-E2046 PolarHBondContact N-O 2.91Å; D2042-E2046 PolarHBondContact OD1-N 2.67Å; E2046-S2084 VanDerWaalsContact CA-OG 3.28Å; E2046-S2084 WeakPolarHBondContact CA-OG 3.1Å; E2046-S2084 WeakPolarHBondContact CB-OG 3.35Å; E2046-R2087 IonicContact OE1-CZ 3.72Å; E2046-R2087 IonicContact OE1-NH1 2.92Å; E2046-R2087 PolarHBondContact OE1-NH1 3.38Å | ||
| 2047 | H | 92.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 5.8 Ų | 5.8 | 1% | 0.014 | 4% | 0.037 | C | C | . | . | trans | -136 | 73.7 | 169.9 | -164 | -25.6 | 0 | 0 | 0 | 109.5 | A2040 T2049 Q2050 A2051 R2080 S2084 | A2040-H2047 PolarHBondContact O-CE1 3.16Å; A2040-H2047 PolarHBondContact O-NE2 3.28Å; A2040-H2047 VanDerWaalsContact O-NE2 3.13Å; H2047-T2049 VanDerWaalsContact C-N 3.27Å; H2047-T2049 PolarHBondContact CE1-OG1 3.49Å; H2047-T2049 VanDerWaalsContact CE1-OG1 3.23Å; H2047-T2049 PolarHBondContact ND1-OG1 2.79Å; H2047-T2049 PolarHBondContact O-N 3.02Å; H2047-Q2050 HydrophobicContact CB-CB 4.1Å; H2047-Q2050 WeakPolarHBondContact ND1-CB 3.24Å; H2047-Q2050 PolarHBondContact ND1-N 3.24Å; H2047-Q2050 WeakPolarHBondContact O-CB 3.47Å; H2047-Q2050 PolarHBondContact O-N 3.38Å; H2047-A2051 PolarHBondContact O-N 3.1Å; H2047-A2051 VanDerWaalsContact O-N 3.16Å; H2047-R2080 HydrophobicContact CB-CG 4.34Å; H2047-S2084 PolarHBondContact N-OG 2.92Å | ||
| 2048 | P | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.8 | -37.1 | -169.7 | 21.1 | -32.6 | 0 | 0 | 0 | 113.3 | I1920 V1923 F1926 N2039 Q2050 A2051 L2052 | I1920-P2048 HydrophobicContact CG2-CB 4.46Å; I1920-P2048 HydrophobicContact CG2-CG 4.25Å; V1923-P2048 HydrophobicContact CG1-CB 3.8Å; F1926-P2048 HydrophobicContact CE2-CB 4.19Å; N2039-P2048 HydrophobicContact CB-CG 3.82Å; P2048-Q2050 VanDerWaalsContact C-N 3.29Å; P2048-Q2050 PolarHBondContact O-N 2.83Å; P2048-A2051 PolarHBondContact O-N 2.92Å; P2048-L2052 WeakPolarHBondContact O-CG 3.13Å; P2048-L2052 PolarHBondContact O-N 3.09Å |
| 2049 | T | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69.9 | -24.1 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | F1975 I2038 N2039 H2047 L2053 L2212 | F1975-T2049 HydrophobicContact CZ-CG2 4.05Å; I2038-T2049 HydrophobicContact CG2-CG2 3.58Å; N2039-T2049 PolarHBondContact O-OG1 3.42Å; H2047-T2049 VanDerWaalsContact C-N 3.27Å; H2047-T2049 PolarHBondContact CE1-OG1 3.49Å; H2047-T2049 VanDerWaalsContact CE1-OG1 3.23Å; H2047-T2049 PolarHBondContact ND1-OG1 2.79Å; H2047-T2049 PolarHBondContact O-N 3.02Å; T2049-L2053 WeakPolarHBondContact O-CD2 3.18Å; T2049-L2053 PolarHBondContact O-N 3.02Å; T2049-L2212 HydrophobicContact CG2-CD1 3.82Å |
| 2050 | Q | 93 | Very high | 90.3 | Very high | 12 Ų | 12 | 7.6 Ų | 7.6 | 6% | 0.056 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -77 | -43 | 170.1 | -173.9 | 69.6 | 39.5 | 0 | 0 | 110.4 | H2047 P2048 L2052 L2053 D2054 T2081 | H2047-Q2050 HydrophobicContact CB-CB 4.1Å; H2047-Q2050 WeakPolarHBondContact ND1-CB 3.24Å; H2047-Q2050 PolarHBondContact ND1-N 3.24Å; H2047-Q2050 WeakPolarHBondContact O-CB 3.47Å; H2047-Q2050 PolarHBondContact O-N 3.38Å; P2048-Q2050 VanDerWaalsContact C-N 3.29Å; P2048-Q2050 PolarHBondContact O-N 2.83Å; Q2050-L2052 VanDerWaalsContact C-N 3.29Å; Q2050-L2052 PolarHBondContact O-N 3.2Å; Q2050-L2053 WeakPolarHBondContact O-CG 3.48Å; Q2050-L2053 PolarHBondContact O-N 3.43Å; Q2050-D2054 PolarHBondContact NE2-OD1 3.2Å; Q2050-D2054 WeakPolarHBondContact O-CB 3.24Å; Q2050-D2054 PolarHBondContact O-N 3.16Å; Q2050-T2081 HydrophobicContact CB-CG2 4.33Å; Q2050-T2081 HydrophobicContact CG-CG2 3.75Å |
| 2051 | A | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1923 H2047 P2048 D2054 I2055 L2085 L2088 | V1923-A2051 HydrophobicContact CG1-CB 3.89Å; H2047-A2051 PolarHBondContact O-N 3.1Å; H2047-A2051 VanDerWaalsContact O-N 3.16Å; P2048-A2051 PolarHBondContact O-N 2.92Å; A2051-D2054 PolarHBondContact O-N 2.93Å; A2051-I2055 WeakPolarHBondContact O-CG1 3.16Å; A2051-I2055 PolarHBondContact O-N 2.9Å; A2051-L2085 HydrophobicContact CB-CB 4.5Å; A2051-L2088 HydrophobicContact CB-CB 4.32Å; A2051-L2088 HydrophobicContact CB-CD2 3.84Å |
| 2052 | L | 94.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 175.2 | -73.9 | 172.4 | 0 | 0 | 0 | 112.5 | F1926 L1931 I1934 F1935 P2048 Q2050 D2054 F2056 L2088 I2208 L2212 | F1926-L2052 HydrophobicContact CD2-CD1 4.47Å; F1926-L2052 HydrophobicContact CD2-CD2 4.24Å; F1926-L2052 HydrophobicContact CE1-CD1 4.32Å; F1926-L2052 HydrophobicContact CE2-CD1 3.76Å; F1926-L2052 HydrophobicContact CE2-CD2 4.33Å; F1926-L2052 HydrophobicContact CE2-CG 4.21Å; F1926-L2052 HydrophobicContact CG-CD2 4.44Å; F1926-L2052 HydrophobicContact CZ-CD1 3.67Å; L1931-L2052 HydrophobicContact CD2-CD2 3.15Å; I1934-L2052 HydrophobicContact CD1-CD1 4.4Å; I1934-L2052 HydrophobicContact CD1-CD2 4.33Å; F1935-L2052 HydrophobicContact CE1-CB 4.4Å; F1935-L2052 HydrophobicContact CE1-CD2 4.11Å; F1935-L2052 WeakPolarHBondContact CE1-O 3.22Å; F1935-L2052 HydrophobicContact CZ-CD2 4.36Å; P2048-L2052 WeakPolarHBondContact O-CG 3.13Å; P2048-L2052 PolarHBondContact O-N 3.09Å; Q2050-L2052 VanDerWaalsContact C-N 3.29Å; Q2050-L2052 PolarHBondContact O-N 3.2Å; L2052-D2054 VanDerWaalsContact C-N 3.33Å; L2052-F2056 WeakPolarHBondContact O-CB 3.36Å; L2052-F2056 PolarHBondContact O-N 2.88Å; L2052-L2088 HydrophobicContact CD2-CD2 3.99Å; L2052-L2088 HydrophobicContact CG-CD2 4.32Å; L2052-I2208 HydrophobicContact CB-CG2 3.89Å; L2052-L2212 HydrophobicContact CD1-CD1 3.67Å; L2052-L2212 HydrophobicContact CD1-CD2 3.86Å; L2052-L2212 HydrophobicContact CD1-CG 4.21Å |
| 2053 | L | 94.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.8 | -34.1 | -179.6 | 78.9 | 85.2 | 0 | 0 | 0 | 111.9 | T2049 Q2050 F2056 T2057 Q2201 I2208 | T2049-L2053 WeakPolarHBondContact O-CD2 3.18Å; T2049-L2053 PolarHBondContact O-N 3.02Å; Q2050-L2053 WeakPolarHBondContact O-CG 3.48Å; Q2050-L2053 PolarHBondContact O-N 3.43Å; L2053-F2056 PolarHBondContact O-N 3Å; L2053-T2057 PolarHBondContact O-N 2.85Å; L2053-T2057 PolarHBondContact O-OG1 2.82Å; L2053-Q2201 HydrophobicContact CD1-CG 3.63Å; L2053-Q2201 WeakPolarHBondContact CD1-O 3.21Å; L2053-I2208 HydrophobicContact CB-CB 4.05Å; L2053-I2208 HydrophobicContact CB-CG1 4.13Å; L2053-I2208 HydrophobicContact CB-CG2 4.09Å |
| 2054 | D | 94.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 177.3 | -64.4 | -14.7 | 0 | 0 | 0 | 110.6 | Q2050 A2051 L2052 F2056 T2057 I2058 L2085 Y2138 Q2201 | Q2050-D2054 PolarHBondContact NE2-OD1 3.2Å; Q2050-D2054 WeakPolarHBondContact O-CB 3.24Å; Q2050-D2054 PolarHBondContact O-N 3.16Å; A2051-D2054 PolarHBondContact O-N 2.93Å; L2052-D2054 VanDerWaalsContact C-N 3.33Å; D2054-F2056 VanDerWaalsContact C-N 3.35Å; D2054-T2057 PolarHBondContact O-N 3.01Å; D2054-I2058 VanDerWaalsContact O-CG1 3.31Å; D2054-I2058 WeakPolarHBondContact O-CG1 3.21Å; D2054-I2058 PolarHBondContact O-N 3.39Å; D2054-L2085 HydrophobicContact CB-CD1 3.88Å; D2054-L2085 HydrophobicContact CB-CD2 4.23Å; D2054-Y2138 HydrophobicContact CB-CE2 4.13Å; D2054-Y2138 WeakPolarHBondContact OD2-CE2 3.38Å; D2054-Y2138 VanDerWaalsContact OD2-CZ 3.27Å; D2054-Y2138 PolarHBondContact OD2-OH 2.72Å; D2054-Q2201 PolarHBondContact OD1-NE2 3.48Å |
| 2055 | I | 94.3 | Very high | 88 | Confident | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | 175.7 | -64.4 | -177.6 | 0 | 0 | 0 | 111.2 | F1935 A2051 T2057 I2058 R2059 V2065 L2085 L2088 L2089 Y2092 | F1935-I2055 HydrophobicContact CE2-CB 4.23Å; F1935-I2055 HydrophobicContact CE2-CG2 3.5Å; F1935-I2055 HydrophobicContact CZ-CB 3.84Å; F1935-I2055 HydrophobicContact CZ-CG2 3.64Å; A2051-I2055 WeakPolarHBondContact O-CG1 3.16Å; A2051-I2055 PolarHBondContact O-N 2.9Å; I2055-T2057 VanDerWaalsContact C-N 3.34Å; I2055-I2058 PolarHBondContact O-N 3.09Å; I2055-R2059 VanDerWaalsContact O-CB 3.3Å; I2055-R2059 WeakPolarHBondContact O-CB 3.33Å; I2055-R2059 PolarHBondContact O-N 3.25Å; I2055-V2065 HydrophobicContact CG2-CG1 4.45Å; I2055-V2065 HydrophobicContact CG2-CG2 3.8Å; I2055-L2085 HydrophobicContact CD1-CD1 4.35Å; I2055-L2085 HydrophobicContact CG1-CD1 3.72Å; I2055-L2088 HydrophobicContact CD1-CB 3.91Å; I2055-L2088 HydrophobicContact CD1-CD2 3.52Å; I2055-L2088 HydrophobicContact CD1-CG 3.5Å; I2055-L2088 VanDerWaalsContact CD1-CG 3.5Å; I2055-L2088 HydrophobicContact CG1-CD2 4.49Å; I2055-L2089 HydrophobicContact CD1-CD2 4.07Å; I2055-L2089 HydrophobicContact CD1-CG 4.33Å; I2055-L2089 HydrophobicContact CG1-CD2 4Å; I2055-L2089 HydrophobicContact CG1-CG 4.47Å; I2055-Y2092 HydrophobicContact CD1-CD2 4.46Å; I2055-Y2092 HydrophobicContact CD1-CE2 4.04Å; I2055-Y2092 HydrophobicContact CG2-CE2 3.78Å |
| 2056 | F | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 174.4 | -179.6 | -110.3 | 0 | 0 | 0 | 111.8 | F1935 A1938 Q1939 L2052 L2053 D2054 R2059 E2060 Y2204 I2208 | F1935-F2056 HydrophobicContact CB-CD2 3.78Å; F1935-F2056 HydrophobicContact CB-CE2 4.26Å; F1935-F2056 HydrophobicContact CD1-CB 3.86Å; F1935-F2056 AromaticContact CD1-CD2 3.92Å; F1935-F2056 HydrophobicContact CD1-CD2 3.92Å; F1935-F2056 HydrophobicContact CD1-CG 4.26Å; F1935-F2056 HydrophobicContact CE1-CB 3.88Å; F1935-F2056 HydrophobicContact CG-CB 4.38Å; F1935-F2056 AromaticContact CG-CD2 3.88Å; F1935-F2056 HydrophobicContact CG-CD2 3.88Å; F1935-F2056 HydrophobicContact CZ-CB 4.42Å; F1935-F2056 WeakPolarHBondContact O-CE2 3.46Å; A1938-F2056 HydrophobicContact CB-CD2 4.46Å; A1938-F2056 HydrophobicContact CB-CE1 4.34Å; A1938-F2056 HydrophobicContact CB-CE2 3.99Å; A1938-F2056 HydrophobicContact CB-CZ 3.93Å; Q1939-F2056 HydrophobicContact CB-CE2 4.3Å; Q1939-F2056 HydrophobicContact CB-CZ 4.4Å; L2052-F2056 WeakPolarHBondContact O-CB 3.36Å; L2052-F2056 PolarHBondContact O-N 2.88Å; L2053-F2056 PolarHBondContact O-N 3Å; D2054-F2056 VanDerWaalsContact C-N 3.35Å; F2056-R2059 PolarHBondContact O-N 2.73Å; F2056-E2060 HydrophobicContact CD1-CG 4.27Å; F2056-E2060 HydrophobicContact CD2-CG 4.33Å; F2056-E2060 HydrophobicContact CE1-CG 3.88Å; F2056-E2060 HydrophobicContact CE2-CG 3.95Å; F2056-E2060 HydrophobicContact CG-CG 4.48Å; F2056-E2060 HydrophobicContact CZ-CG 3.7Å; F2056-E2060 WeakPolarHBondContact O-CB 3.48Å; F2056-E2060 WeakPolarHBondContact O-CG 3.44Å; F2056-E2060 PolarHBondContact O-N 2.78Å; F2056-Y2204 HydrophobicContact CD1-CD2 4.43Å; F2056-Y2204 HydrophobicContact CD1-CG 4.31Å; F2056-Y2204 HydrophobicContact CE1-CD2 4.47Å; F2056-Y2204 HydrophobicContact CE1-CG 4.18Å; F2056-I2208 HydrophobicContact CB-CD1 3.49Å; F2056-I2208 VanDerWaalsContact CB-CD1 3.49Å; F2056-I2208 HydrophobicContact CB-CG1 3.72Å; F2056-I2208 HydrophobicContact CD1-CD1 3.89Å; F2056-I2208 HydrophobicContact CD1-CG1 3.56Å; F2056-I2208 HydrophobicContact CD2-CD1 3.9Å; F2056-I2208 HydrophobicContact CD2-CG1 4.49Å; F2056-I2208 HydrophobicContact CE1-CG1 4.3Å; F2056-I2208 HydrophobicContact CG-CD1 3.49Å; F2056-I2208 VanDerWaalsContact CG-CD1 3.49Å; F2056-I2208 HydrophobicContact CG-CG1 3.68Å |
| 2057 | T | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 172.6 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | L2053 D2054 I2055 R2059 E2060 E2061 L2177 A2197 Q2201 Y2204 | L2053-T2057 PolarHBondContact O-N 2.85Å; L2053-T2057 PolarHBondContact O-OG1 2.82Å; D2054-T2057 PolarHBondContact O-N 3.01Å; I2055-T2057 VanDerWaalsContact C-N 3.34Å; T2057-R2059 VanDerWaalsContact C-N 3.26Å; T2057-R2059 PolarHBondContact O-N 3.29Å; T2057-E2060 PolarHBondContact O-N 3.29Å; T2057-E2060 VanDerWaalsContact O-N 3.13Å; T2057-E2061 HydrophobicContact CG2-CG 4.11Å; T2057-E2061 WeakPolarHBondContact O-CB 3.34Å; T2057-E2061 VanDerWaalsContact O-CG 3.22Å; T2057-E2061 WeakPolarHBondContact O-CG 3.4Å; T2057-E2061 PolarHBondContact O-N 2.88Å; T2057-L2177 HydrophobicContact CG2-CD2 3.63Å; T2057-A2197 HydrophobicContact CG2-CB 4.49Å; T2057-Q2201 HydrophobicContact CG2-CB 4.03Å; T2057-Q2201 WeakPolarHBondContact OG1-CA 3.4Å; T2057-Y2204 HydrophobicContact CG2-CD2 3.9Å; T2057-Y2204 HydrophobicContact CG2-CE2 4.17Å |
| 2058 | I | 91.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -55.6 | -46 | 175.8 | -65 | 167.4 | 0 | 0 | 0 | 110.3 | D2054 I2055 E2060 E2061 F2062 V2065 L2068 I2070 V2136 I2175 L2177 | D2054-I2058 VanDerWaalsContact O-CG1 3.31Å; D2054-I2058 WeakPolarHBondContact O-CG1 3.21Å; D2054-I2058 PolarHBondContact O-N 3.39Å; I2055-I2058 PolarHBondContact O-N 3.09Å; I2058-E2060 PolarHBondContact O-N 3.38Å; I2058-E2061 PolarHBondContact O-N 2.54Å; I2058-F2062 HydrophobicContact CG2-CD2 4.13Å; I2058-F2062 WeakPolarHBondContact O-CB 3.46Å; I2058-F2062 PolarHBondContact O-N 3.33Å; I2058-V2065 HydrophobicContact CG2-CG1 4.4Å; I2058-V2065 HydrophobicContact CG2-CG2 4.18Å; I2058-L2068 HydrophobicContact CG2-CD1 3.38Å; I2058-I2070 HydrophobicContact CD1-CD1 4.11Å; I2058-V2136 HydrophobicContact CD1-CG1 4.06Å; I2058-V2136 HydrophobicContact CD1-CG2 4.23Å; I2058-V2136 HydrophobicContact CG1-CG1 4.05Å; I2058-V2136 HydrophobicContact CG1-CG2 3.99Å; I2058-V2136 HydrophobicContact CG2-CG2 4.03Å; I2058-I2175 HydrophobicContact CG1-CD1 4.39Å; I2058-L2177 HydrophobicContact CD1-CD1 4.21Å; I2058-L2177 HydrophobicContact CG1-CD1 3.73Å |
| 2059 | R | 85.2 | Confident | 87.4 | Confident | 11 Ų | 11 | 12 Ų | 12 | 4% | 0.042 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 178.1 | 178.3 | -175.8 | 157.1 | 169.3 | -6.3 | 112.6 | R1067 N1936 I2055 F2056 T2057 G2063 V2065 | R1067-R2059 VanDerWaalsContact NH1-CZ 3.27Å; N1936-R2059 PolarHBondContact OD1-NH2 2.63Å; I2055-R2059 VanDerWaalsContact O-CB 3.3Å; I2055-R2059 WeakPolarHBondContact O-CB 3.33Å; I2055-R2059 PolarHBondContact O-N 3.25Å; F2056-R2059 PolarHBondContact O-N 2.73Å; T2057-R2059 VanDerWaalsContact C-N 3.26Å; T2057-R2059 PolarHBondContact O-N 3.29Å; R2059-G2063 CarbonylContact O-C 3.6Å; R2059-G2063 VanDerWaalsContact O-C 3.28Å; R2059-G2063 WeakPolarHBondContact O-CA 3.25Å; R2059-G2063 PolarHBondContact O-N 2.62Å; R2059-V2065 HydrophobicContact CB-CG2 4.12Å |
| 2060 | E | 83.5 | Confident | 87.5 | Confident | 28 Ų | 28 | 12 Ų | 12 | 13% | 0.131 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -71.6 | -38.5 | 178.8 | -74.1 | -72.2 | 108.7 | 0 | 0 | 111.8 | K1064 K1942 F2056 T2057 I2058 Y2204 | K1064-E2060 PolarHBondContact NZ-O 3.13Å; K1942-E2060 IonicContact NZ-OE2 2.63Å; K1942-E2060 PolarHBondContact NZ-OE2 3.39Å; F2056-E2060 HydrophobicContact CD1-CG 4.27Å; F2056-E2060 HydrophobicContact CD2-CG 4.33Å; F2056-E2060 HydrophobicContact CE1-CG 3.88Å; F2056-E2060 HydrophobicContact CE2-CG 3.95Å; F2056-E2060 HydrophobicContact CG-CG 4.48Å; F2056-E2060 HydrophobicContact CZ-CG 3.7Å; F2056-E2060 WeakPolarHBondContact O-CB 3.48Å; F2056-E2060 WeakPolarHBondContact O-CG 3.44Å; F2056-E2060 PolarHBondContact O-N 2.78Å; T2057-E2060 PolarHBondContact O-N 3.29Å; T2057-E2060 VanDerWaalsContact O-N 3.13Å; I2058-E2060 PolarHBondContact O-N 3.38Å; E2060-Y2204 HydrophobicContact CB-CD2 4.34Å; E2060-Y2204 HydrophobicContact CB-CE2 3.73Å; E2060-Y2204 HydrophobicContact CG-CD2 4.43Å; E2060-Y2204 HydrophobicContact CG-CE2 4.17Å |
| 2061 | E | 82.5 | Confident | 87.6 | Confident | 36 Ų | 36 | 11.5 Ų | 11.5 | 17% | 0.168 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -74.8 | -43.3 | -179.2 | -61.9 | -69.3 | 148.3 | 0 | 0 | 112.2 | T2057 I2058 I2175 A2197 R2200 | T2057-E2061 HydrophobicContact CG2-CG 4.11Å; T2057-E2061 WeakPolarHBondContact O-CB 3.34Å; T2057-E2061 VanDerWaalsContact O-CG 3.22Å; T2057-E2061 WeakPolarHBondContact O-CG 3.4Å; T2057-E2061 PolarHBondContact O-N 2.88Å; I2058-E2061 PolarHBondContact O-N 2.54Å; E2061-I2175 HydrophobicContact CB-CD1 3.85Å; E2061-I2175 HydrophobicContact CB-CG2 3.95Å; E2061-I2175 HydrophobicContact CG-CD1 3.84Å; E2061-I2175 HydrophobicContact CG-CG2 4.14Å; E2061-A2197 HydrophobicContact CG-CB 4.42Å; E2061-R2200 IonicContact OE1-CZ 2.87Å; E2061-R2200 IonicContact OE1-NE 2.76Å; E2061-R2200 PolarHBondContact OE1-NE 3.14Å; E2061-R2200 IonicContact OE1-NH2 2.89Å; E2061-R2200 PolarHBondContact OE1-NH2 3.23Å; E2061-R2200 IonicContact OE2-CZ 3.29Å; E2061-R2200 IonicContact OE2-NE 3.37Å; E2061-R2200 IonicContact OE2-NH2 3.27Å; E2061-R2200 PolarHBondContact OE2-NH2 2.94Å |
| 2062 | F | 79.1 | Confident | 87.8 | Confident | 22 Ų | 22 | 11.5 Ų | 11.5 | 10% | 0.096 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -99.5 | -17.6 | -177.3 | -73.2 | -83.3 | 0 | 0 | 0 | 114.6 | I2058 T2064 L2068 D2135 V2136 R2173 I2175 | I2058-F2062 HydrophobicContact CG2-CD2 4.13Å; I2058-F2062 WeakPolarHBondContact O-CB 3.46Å; I2058-F2062 PolarHBondContact O-N 3.33Å; F2062-T2064 WeakPolarHBondContact CB-O 3.3Å; F2062-T2064 PolarHBondContact O-N 3.43Å; F2062-L2068 HydrophobicContact CB-CD1 4.21Å; F2062-L2068 HydrophobicContact CD1-CD2 3.99Å; F2062-L2068 HydrophobicContact CD2-CD1 3.95Å; F2062-L2068 HydrophobicContact CE1-CD2 4.36Å; F2062-L2068 HydrophobicContact CG-CD1 3.99Å; F2062-L2068 HydrophobicContact CG-CD2 4.2Å; F2062-D2135 HydrophobicContact CE1-CB 4.32Å; F2062-D2135 HydrophobicContact CZ-CB 4.14Å; F2062-D2135 VanDerWaalsContact CZ-O 3.25Å; F2062-D2135 WeakPolarHBondContact CZ-O 3.48Å; F2062-V2136 HydrophobicContact CD2-CG2 4.3Å; F2062-V2136 HydrophobicContact CE2-CG2 3.7Å; F2062-V2136 HydrophobicContact CZ-CG2 4.41Å; F2062-R2173 HydrophobicContact CE1-CB 4.34Å; F2062-R2173 WeakPolarHBondContact CE1-O 3.19Å; F2062-R2173 WeakPolarHBondContact CZ-O 3.26Å; F2062-I2175 HydrophobicContact CD2-CD1 4.13Å; F2062-I2175 HydrophobicContact CE2-CB 4.38Å; F2062-I2175 HydrophobicContact CE2-CD1 3.65Å; F2062-I2175 HydrophobicContact CE2-CG1 3.75Å; F2062-I2175 HydrophobicContact CE2-CG2 3.97Å; F2062-I2175 HydrophobicContact CZ-CG1 4.48Å; F2062-I2175 HydrophobicContact CZ-CG2 4.27Å |
| 2063 | G | 69.7 | Low | 87.7 | Confident | 5 Ų | 5 | 11.5 Ų | 11.5 | 5% | 0.052 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 85.1 | -45.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1063 R2059 | F1063-G2063 VanDerWaalsContact CD1-C 3.43Å; F1063-G2063 WeakPolarHBondContact CE1-O 3.5Å; R2059-G2063 CarbonylContact O-C 3.6Å; R2059-G2063 VanDerWaalsContact O-C 3.28Å; R2059-G2063 WeakPolarHBondContact O-CA 3.25Å; R2059-G2063 PolarHBondContact O-N 2.62Å |
| 2064 | T | 72.6 | Confident | 87.5 | Confident | 10 Ų | 10 | 11.6 Ų | 11.6 | 6% | 0.061 | 7% | 0.068 | C | C | . | . | trans | -118.5 | 162.9 | -178.7 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | F2062 N2066 L2068 | F2062-T2064 WeakPolarHBondContact CB-O 3.3Å; F2062-T2064 PolarHBondContact O-N 3.43Å; T2064-N2066 PolarHBondContact OG1-N 3.45Å; T2064-L2068 WeakPolarHBondContact O-CD1 3.3Å | ||
| 2065 | V | 82.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.024 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -109.3 | -17.5 | 170 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | I2055 I2058 R2059 L2089 Y2092 V2094 | I2055-V2065 HydrophobicContact CG2-CG1 4.45Å; I2055-V2065 HydrophobicContact CG2-CG2 3.8Å; I2058-V2065 HydrophobicContact CG2-CG1 4.4Å; I2058-V2065 HydrophobicContact CG2-CG2 4.18Å; R2059-V2065 HydrophobicContact CB-CG2 4.12Å; V2065-L2089 HydrophobicContact CG1-CD2 3.77Å; V2065-Y2092 HydrophobicContact CB-CD1 3.7Å; V2065-Y2092 HydrophobicContact CB-CD2 4.29Å; V2065-Y2092 HydrophobicContact CB-CE1 4.03Å; V2065-Y2092 HydrophobicContact CB-CG 3.83Å; V2065-Y2092 HydrophobicContact CG1-CD1 4.07Å; V2065-Y2092 HydrophobicContact CG1-CD2 3.81Å; V2065-Y2092 HydrophobicContact CG1-CE2 4.37Å; V2065-Y2092 HydrophobicContact CG1-CG 3.63Å; V2065-Y2092 HydrophobicContact CG2-CD1 4.44Å; V2065-Y2092 HydrophobicContact CG2-CE1 4.27Å; V2065-V2094 HydrophobicContact CG1-CG1 4.22Å; V2065-V2094 WeakPolarHBondContact O-CG1 3.43Å |
| 2066 | N | 81.5 | Confident | 87.2 | Confident | 67 Ų | 67 | 11.6 Ų | 11.6 | 36% | 0.358 | 7% | 0.068 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 148.4 | -178.6 | -62.8 | -56.3 | 0 | 0 | 0 | 111 | T2064 L2068 N2093 | T2064-N2066 PolarHBondContact OG1-N 3.45Å; N2066-L2068 PolarHBondContact O-N 3.09Å; N2066-N2093 CarbonylContact C-O 3.56Å; N2066-N2093 WeakPolarHBondContact CA-O 3.48Å; N2066-N2093 HydrophobicContact CB-CB 4.49Å; N2066-N2093 PolarHBondContact OD1-N 3.05Å |
| 2067 | G | 81.2 | Confident | 87 | Confident | 29 Ų | 29 | 16.9 Ų | 16.9 | 30% | 0.299 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -5.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N2093 | G2067-N2093 PolarHBondContact N-O 3.21Š|
| 2068 | L | 88.8 | Confident | 86.7 | Confident | 13 Ų | 13 | 18 Ų | 18 | 7% | 0.068 | 10% | 0.097 | C | C | . | . | trans | -82.3 | 142.3 | -175.1 | -57 | -176.6 | 0 | 0 | 0 | 112.2 | I2058 F2062 T2064 N2066 I2070 V2094 N2095 D2135 V2136 | I2058-L2068 HydrophobicContact CG2-CD1 3.38Å; F2062-L2068 HydrophobicContact CB-CD1 4.21Å; F2062-L2068 HydrophobicContact CD1-CD2 3.99Å; F2062-L2068 HydrophobicContact CD2-CD1 3.95Å; F2062-L2068 HydrophobicContact CE1-CD2 4.36Å; F2062-L2068 HydrophobicContact CG-CD1 3.99Å; F2062-L2068 HydrophobicContact CG-CD2 4.2Å; T2064-L2068 WeakPolarHBondContact O-CD1 3.3Å; N2066-L2068 PolarHBondContact O-N 3.09Å; L2068-I2070 HydrophobicContact CB-CG1 4.3Å; L2068-V2094 WeakPolarHBondContact O-CA 3.45Å; L2068-V2094 WeakPolarHBondContact O-CB 3.18Å; L2068-N2095 PolarHBondContact O-N 3.1Å; L2068-D2135 HydrophobicContact CB-CB 4.24Å; L2068-D2135 HydrophobicContact CD2-CB 4.03Å; L2068-V2136 HydrophobicContact CD1-CG2 4.22Å | ||
| 2069 | T | 92.9 | Very high | 86.5 | Confident | 15 Ų | 15 | 18 Ų | 18 | 9% | 0.092 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 112 | 167.2 | -57.3 | 0 | 0 | 0 | 0 | 109.1 | N2095 Q2097 D2133 D2135 V2136 | T2069-N2095 CarbonylContact C-O 3.59Å; T2069-N2095 WeakPolarHBondContact CA-O 3.5Å; T2069-N2095 HydrophobicContact CG2-CB 4.35Å; T2069-Q2097 VanDerWaalsContact CG2-CD 3.46Å; T2069-Q2097 HydrophobicContact CG2-CG 3.8Å; T2069-D2133 WeakPolarHBondContact CB-O 3.42Å; T2069-D2135 PolarHBondContact N-OD2 2.84Å; T2069-D2135 PolarHBondContact O-N 3.22Å; T2069-V2136 PolarHBondContact O-N 3.33Å |
| 2070 | I | 95.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112.8 | -175.7 | -55.5 | 175.9 | 0 | 0 | 0 | 108.5 | I2058 L2068 M2072 L2089 V2094 N2095 L2096 Q2097 V2136 | I2058-I2070 HydrophobicContact CD1-CD1 4.11Å; L2068-I2070 HydrophobicContact CB-CG1 4.3Å; I2070-M2072 HydrophobicContact CG2-CE 4.3Å; I2070-L2089 HydrophobicContact CD1-CD1 3.52Å; I2070-L2089 HydrophobicContact CD1-CD2 3.5Å; I2070-L2089 VanDerWaalsContact CD1-CD2 3.5Å; I2070-L2089 HydrophobicContact CD1-CG 4.14Å; I2070-L2089 HydrophobicContact CG2-CD1 4.19Å; I2070-V2094 HydrophobicContact CD1-CB 4.31Å; I2070-V2094 HydrophobicContact CD1-CG1 3.95Å; I2070-N2095 PolarHBondContact N-O 3.2Å; I2070-L2096 HydrophobicContact CB-CD2 3.86Å; I2070-L2096 HydrophobicContact CG2-CD2 4.39Å; I2070-L2096 WeakPolarHBondContact O-CA 3.1Å; I2070-Q2097 PolarHBondContact O-N 3.28Å; I2070-V2136 CarbonylContact C-O 3.47Å; I2070-V2136 WeakPolarHBondContact CA-O 3.34Å; I2070-V2136 HydrophobicContact CB-CB 4.34Å; I2070-V2136 HydrophobicContact CG1-CB 4.01Å; I2070-V2136 HydrophobicContact CG1-CG2 4.17Å; I2070-V2136 HydrophobicContact CG2-CB 4.13Å; I2070-V2136 HydrophobicContact CG2-CG1 4.25Å |
| 2071 | T | 95.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 113.6 | -176.5 | -56.8 | 0 | 0 | 0 | 0 | 109.4 | V2073 Q2097 V2099 V2130 T2134 V2136 L2137 Y2138 | T2071-V2073 HydrophobicContact CG2-CG2 3.82Å; T2071-Q2097 CarbonylContact C-O 3.57Å; T2071-Q2097 WeakPolarHBondContact CA-O 3.46Å; T2071-Q2097 HydrophobicContact CG2-CB 4.06Å; T2071-Q2097 PolarHBondContact OG1-OE1 3.42Å; T2071-Q2097 VanDerWaalsContact OG1-OE1 3.06Å; T2071-V2099 HydrophobicContact CG2-CG2 3.99Å; T2071-V2130 HydrophobicContact CG2-CG2 4.03Å; T2071-T2134 WeakPolarHBondContact OG1-CG2 3.28Å; T2071-T2134 PolarHBondContact OG1-OG1 3.48Å; T2071-V2136 PolarHBondContact N-O 3.45Å; T2071-L2137 HydrophobicContact CG2-CD1 4.03Å; T2071-L2137 CarbonylContact O-C 3.52Å; T2071-Y2138 PolarHBondContact O-N 3.41Å |
| 2072 | M | 95.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.9 | 178.5 | -57.3 | -177.7 | 180 | 0 | 0 | 109.9 | I2070 L2076 V2082 L2085 A2086 L2089 L2096 Q2097 Y2098 V2099 M2106 Y2138 | I2070-M2072 HydrophobicContact CG2-CE 4.3Å; M2072-L2076 HydrophobicContact CB-CD2 3.76Å; M2072-V2082 HydrophobicContact CB-CG1 4.41Å; M2072-V2082 HydrophobicContact SD-CB 3.89Å; M2072-V2082 HydrophobicContact SD-CG1 4.14Å; M2072-L2085 HydrophobicContact CE-CB 4.29Å; M2072-L2085 HydrophobicContact CE-CD2 3.94Å; M2072-L2085 HydrophobicContact CE-CG 3.86Å; M2072-A2086 HydrophobicContact CE-CB 4.03Å; M2072-A2086 HydrophobicContact SD-CB 4.27Å; M2072-L2089 HydrophobicContact CE-CD1 3.8Å; M2072-L2096 HydrophobicContact CE-CD2 4.34Å; M2072-Q2097 PolarHBondContact N-O 3.03Å; M2072-Y2098 HydrophobicContact CB-CD1 4.22Å; M2072-Y2098 HydrophobicContact SD-CE1 4.07Å; M2072-V2099 PolarHBondContact O-N 2.94Å; M2072-M2106 HydrophobicContact SD-CE 3.94Å; M2072-Y2138 WeakPolarHBondContact CA-O 3.13Å |
| 2073 | V | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.4 | -168.9 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | T2071 V2099 L2127 L2137 Y2138 M2139 T2140 L2160 | T2071-V2073 HydrophobicContact CG2-CG2 3.82Å; V2073-V2099 CarbonylContact C-O 3.51Å; V2073-V2099 WeakPolarHBondContact CA-O 3.27Å; V2073-V2099 HydrophobicContact CB-CB 4.41Å; V2073-V2099 HydrophobicContact CG1-CB 4.11Å; V2073-V2099 HydrophobicContact CG1-CG1 4.32Å; V2073-V2099 HydrophobicContact CG2-CB 3.96Å; V2073-V2099 HydrophobicContact CG2-CG2 4.26Å; V2073-L2127 HydrophobicContact CG1-CD1 4.47Å; V2073-L2127 HydrophobicContact CG2-CD1 3.92Å; V2073-L2137 HydrophobicContact CG2-CD1 3.52Å; V2073-Y2138 PolarHBondContact N-O 2.98Å; V2073-M2139 HydrophobicContact CB-SD 3.65Å; V2073-M2139 HydrophobicContact CG1-CE 4.27Å; V2073-M2139 HydrophobicContact CG1-SD 3.8Å; V2073-M2139 HydrophobicContact CG2-SD 4.17Å; V2073-M2139 CarbonylContact O-C 3.55Å; V2073-T2140 PolarHBondContact O-N 3.46Å; V2073-T2140 PolarHBondContact O-OG1 3.35Å; V2073-L2160 HydrophobicContact CG1-CB 4.21Å; V2073-L2160 HydrophobicContact CG1-CD1 4.01Å |
| 2074 | G | 90.7 | Very high | 89 | Confident | 3 Ų | 3 | 15 Ų | 15 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | S | Bend | trans | 115.4 | -132.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L2076 V2099 A2100 T2140 | G2074-L2076 PolarHBondContact O-N 2.91Å; G2074-V2099 PolarHBondContact N-O 3.31Å; G2074-A2100 VanDerWaalsContact O-CB 3.26Å; G2074-A2100 WeakPolarHBondContact O-CB 3.28Å; G2074-T2140 WeakPolarHBondContact CA-OG1 3.47Å |
| 2075 | D | 91 | Very high | 90.1 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | trans | -85 | 87.3 | 179 | -175.3 | -7.1 | 0 | 0 | 0 | 110.4 | K2077 N2078 G2079 L2104 T2140 I2142 Q2143 | D2075-K2077 PolarHBondContact OD1-N 3.48Å; D2075-N2078 WeakPolarHBondContact OD1-CB 3.07Å; D2075-N2078 PolarHBondContact OD1-N 3.48Å; D2075-N2078 PolarHBondContact OD1-ND2 2.9Å; D2075-N2078 VanDerWaalsContact OD1-ND2 3.16Å; D2075-N2078 WeakPolarHBondContact OD2-CB 3.33Å; D2075-N2078 PolarHBondContact OD2-ND2 3.33Å; D2075-G2079 PolarHBondContact O-N 3.5Å; D2075-L2104 HydrophobicContact CB-CD1 4.16Å; D2075-T2140 PolarHBondContact N-OG1 2.92Å; D2075-I2142 HydrophobicContact CB-CD1 4.02Å; D2075-Q2143 PolarHBondContact OD2-N 2.79Å | ||
| 2076 | L | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -17.1 | -179.3 | -55.2 | -178 | 0 | 0 | 0 | 112.8 | M2072 G2074 V2082 H2083 Y2098 A2100 L2104 M2106 P2107 | M2072-L2076 HydrophobicContact CB-CD2 3.76Å; G2074-L2076 PolarHBondContact O-N 2.91Å; L2076-V2082 HydrophobicContact CD2-CB 4.35Å; L2076-V2082 HydrophobicContact CD2-CG1 4.11Å; L2076-V2082 HydrophobicContact CD2-CG2 3.99Å; L2076-H2083 PolarHBondContact O-NE2 3.11Å; L2076-Y2098 HydrophobicContact CD1-CD1 3.94Å; L2076-Y2098 HydrophobicContact CD1-CG 4.21Å; L2076-A2100 HydrophobicContact CB-CB 4.42Å; L2076-A2100 HydrophobicContact CD1-CB 3.86Å; L2076-A2100 HydrophobicContact CG-CB 3.94Å; L2076-L2104 WeakPolarHBondContact CA-O 3.23Å; L2076-L2104 WeakPolarHBondContact CB-O 3.4Å; L2076-L2104 PolarHBondContact N-O 3.05Å; L2076-M2106 HydrophobicContact CB-CB 4.28Å; L2076-M2106 HydrophobicContact CB-CE 4.24Å; L2076-M2106 HydrophobicContact CB-SD 4.46Å; L2076-M2106 HydrophobicContact CD1-CE 4.43Å; L2076-M2106 HydrophobicContact CD2-CE 4.42Å; L2076-P2107 WeakPolarHBondContact O-CD 3.39Å |
| 2077 | K | 89.4 | Confident | 91.1 | Very high | 111 Ų | 111 | 13.5 Ų | 13.5 | 48% | 0.483 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -43 | 178.9 | -177.1 | 178.3 | 176.2 | -176.1 | 0 | 112.4 | D2075 H2083 S2103 L2104 Q2105 | D2075-K2077 PolarHBondContact OD1-N 3.48Å; K2077-H2083 PolarHBondContact O-CE1 2.94Å; K2077-H2083 VanDerWaalsContact O-CE1 3.24Å; K2077-H2083 PolarHBondContact O-NE2 3.49Å; K2077-S2103 WeakPolarHBondContact CD-O 3.47Å; K2077-L2104 HydrophobicContact CB-CB 4.48Å; K2077-L2104 PolarHBondContact N-O 3.46Å; K2077-L2104 VanDerWaalsContact N-O 3.1Å; K2077-Q2105 WeakPolarHBondContact CA-O 3.46Å; K2077-Q2105 WeakPolarHBondContact CB-O 3.48Å; K2077-Q2105 PolarHBondContact N-O 3.06Å |
| 2078 | N | 87.3 | Confident | 91.6 | Very high | 23 Ų | 23 | 12.2 Ų | 12.2 | 12% | 0.123 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -3.7 | -176.7 | -53.1 | -58.9 | 0 | 0 | 0 | 112.9 | V2044 D2075 R2080 Q2143 R2146 | V2044-N2078 HydrophobicContact CG1-CB 4.15Å; D2075-N2078 WeakPolarHBondContact OD1-CB 3.07Å; D2075-N2078 PolarHBondContact OD1-N 3.48Å; D2075-N2078 PolarHBondContact OD1-ND2 2.9Å; D2075-N2078 VanDerWaalsContact OD1-ND2 3.16Å; D2075-N2078 WeakPolarHBondContact OD2-CB 3.33Å; D2075-N2078 PolarHBondContact OD2-ND2 3.33Å; N2078-R2080 PolarHBondContact O-N 2.91Å; N2078-Q2143 PolarHBondContact O-NE2 3.48Å; N2078-Q2143 PolarHBondContact O-OE1 3.37Å; N2078-R2146 HydrophobicContact CB-CB 4.13Å; N2078-R2146 HydrophobicContact CB-CG 3.99Å |
| 2079 | G | 87.2 | Confident | 91.8 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.01 | 5% | 0.054 | C | C | . | . | trans | -76 | 84.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D2075 T2081 V2082 H2083 | D2075-G2079 PolarHBondContact O-N 3.5Å; G2079-T2081 PolarHBondContact O-N 2.89Å; G2079-V2082 WeakPolarHBondContact O-CG2 3.31Å; G2079-V2082 PolarHBondContact O-N 3.47Å; G2079-H2083 PolarHBondContact O-CD2 3.41Å; G2079-H2083 PolarHBondContact O-N 3.19Å; G2079-H2083 VanDerWaalsContact O-N 3.08Å | ||
| 2080 | R | 86.2 | Confident | 91.7 | Very high | 14 Ų | 14 | 11.7 Ų | 11.7 | 5% | 0.053 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -48.6 | -31.8 | 172.9 | 62.5 | 174.4 | 155 | -147.5 | -18.4 | 114.4 | E1966 G2043 G2045 H2047 N2078 S2084 | E1966-R2080 IonicContact OE1-CZ 3.79Å; E1966-R2080 IonicContact OE1-NH1 2.75Å; E1966-R2080 IonicContact OE1-NH2 2.67Å; E1966-R2080 PolarHBondContact OE1-NH2 3.18Å; E1966-R2080 IonicContact OE2-CZ 2.79Å; E1966-R2080 VanDerWaalsContact OE2-CZ 3.25Å; E1966-R2080 IonicContact OE2-NH1 3.93Å; E1966-R2080 PolarHBondContact OE2-NH1 3.32Å; E1966-R2080 IonicContact OE2-NH2 3.63Å; E1966-R2080 PolarHBondContact OE2-NH2 3.29Å; G2043-R2080 VanDerWaalsContact O-CD 3.3Å; G2043-R2080 WeakPolarHBondContact O-CD 3.2Å; G2045-R2080 WeakPolarHBondContact O-CB 3.26Å; H2047-R2080 HydrophobicContact CB-CG 4.34Å; N2078-R2080 PolarHBondContact O-N 2.91Å; R2080-S2084 PolarHBondContact O-N 3.46Å; R2080-S2084 VanDerWaalsContact O-N 3.15Å; R2080-S2084 PolarHBondContact O-OG 3.45Å |
| 2081 | T | 90.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 13 Ų | 13 | 9% | 0.092 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -70.9 | -41.2 | -179.9 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | Q2050 G2079 L2085 P2179 | Q2050-T2081 HydrophobicContact CB-CG2 4.33Å; Q2050-T2081 HydrophobicContact CG-CG2 3.75Å; G2079-T2081 PolarHBondContact O-N 2.89Å; T2081-L2085 WeakPolarHBondContact O-CB 3.35Å; T2081-L2085 PolarHBondContact O-N 2.83Å; T2081-P2179 HydrophobicContact CG2-CB 4.15Å |
| 2082 | V | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -71.9 | -32.6 | 176.1 | -65 | 0 | 0 | 0 | 0 | 111.8 | M2072 L2076 G2079 L2085 A2086 M2106 Y2138 T2140 | M2072-V2082 HydrophobicContact CB-CG1 4.41Å; M2072-V2082 HydrophobicContact SD-CB 3.89Å; M2072-V2082 HydrophobicContact SD-CG1 4.14Å; L2076-V2082 HydrophobicContact CD2-CB 4.35Å; L2076-V2082 HydrophobicContact CD2-CG1 4.11Å; L2076-V2082 HydrophobicContact CD2-CG2 3.99Å; G2079-V2082 WeakPolarHBondContact O-CG2 3.31Å; G2079-V2082 PolarHBondContact O-N 3.47Å; V2082-L2085 PolarHBondContact O-N 3.15Å; V2082-A2086 WeakPolarHBondContact O-CB 3.46Å; V2082-A2086 PolarHBondContact O-N 3.23Å; V2082-M2106 HydrophobicContact CB-CE 4.24Å; V2082-M2106 HydrophobicContact CG2-CE 4.16Å; V2082-M2106 HydrophobicContact CG2-SD 4.5Å; V2082-Y2138 HydrophobicContact CG1-CD1 3.67Å; V2082-Y2138 HydrophobicContact CG1-CE1 3.65Å; V2082-T2140 HydrophobicContact CG1-CG2 3.53Å |
| 2083 | H | 92.5 | Very high | 90.5 | Very high | 10 Ų | 10 | 19.5 Ų | 19.5 | 5% | 0.046 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61 | -53.2 | 174 | -57.7 | 168.6 | 0 | 0 | 0 | 111 | V2044 L2076 K2077 G2079 L2085 R2087 P2107 V2110 | V2044-H2083 PolarHBondContact O-CE1 3.38Å; V2044-H2083 PolarHBondContact O-ND1 3.16Å; L2076-H2083 PolarHBondContact O-NE2 3.11Å; K2077-H2083 PolarHBondContact O-CE1 2.94Å; K2077-H2083 VanDerWaalsContact O-CE1 3.24Å; K2077-H2083 PolarHBondContact O-NE2 3.49Å; G2079-H2083 PolarHBondContact O-CD2 3.41Å; G2079-H2083 PolarHBondContact O-N 3.19Å; G2079-H2083 VanDerWaalsContact O-N 3.08Å; H2083-L2085 PolarHBondContact O-N 3.16Å; H2083-R2087 WeakPolarHBondContact O-CB 3.36Å; H2083-R2087 VanDerWaalsContact O-CG 3.3Å; H2083-R2087 WeakPolarHBondContact O-CG 2.96Å; H2083-R2087 PolarHBondContact O-N 3Å; H2083-R2087 VanDerWaalsContact O-N 3.12Å; H2083-P2107 WeakPolarHBondContact NE2-CD 3.26Å; H2083-V2110 HydrophobicContact CB-CG2 4.28Å |
| 2084 | S | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 177.8 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | E2046 H2047 R2080 L2088 | E2046-S2084 VanDerWaalsContact CA-OG 3.28Å; E2046-S2084 WeakPolarHBondContact CA-OG 3.1Å; E2046-S2084 WeakPolarHBondContact CB-OG 3.35Å; H2047-S2084 PolarHBondContact N-OG 2.92Å; R2080-S2084 PolarHBondContact O-N 3.46Å; R2080-S2084 VanDerWaalsContact O-N 3.15Å; R2080-S2084 PolarHBondContact O-OG 3.45Å; S2084-L2088 WeakPolarHBondContact O-CB 3.35Å; S2084-L2088 PolarHBondContact O-N 3.16Å |
| 2085 | L | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.5 | -48.6 | 179.1 | -179.5 | 58.8 | 0 | 0 | 0 | 111.4 | A2051 D2054 I2055 M2072 T2081 V2082 H2083 R2087 L2088 L2089 Y2138 | A2051-L2085 HydrophobicContact CB-CB 4.5Å; D2054-L2085 HydrophobicContact CB-CD1 3.88Å; D2054-L2085 HydrophobicContact CB-CD2 4.23Å; I2055-L2085 HydrophobicContact CD1-CD1 4.35Å; I2055-L2085 HydrophobicContact CG1-CD1 3.72Å; M2072-L2085 HydrophobicContact CE-CB 4.29Å; M2072-L2085 HydrophobicContact CE-CD2 3.94Å; M2072-L2085 HydrophobicContact CE-CG 3.86Å; T2081-L2085 WeakPolarHBondContact O-CB 3.35Å; T2081-L2085 PolarHBondContact O-N 2.83Å; V2082-L2085 PolarHBondContact O-N 3.15Å; H2083-L2085 PolarHBondContact O-N 3.16Å; L2085-R2087 VanDerWaalsContact C-N 3.31Å; L2085-R2087 PolarHBondContact O-N 3.18Å; L2085-L2088 PolarHBondContact O-N 3.19Å; L2085-L2089 HydrophobicContact CD1-CD1 3.78Å; L2085-L2089 HydrophobicContact CD1-CD2 4.36Å; L2085-L2089 HydrophobicContact CD1-CG 3.8Å; L2085-L2089 HydrophobicContact CD2-CD1 4.4Å; L2085-L2089 HydrophobicContact CG-CD1 3.66Å; L2085-L2089 HydrophobicContact CG-CG 4.17Å; L2085-L2089 VanDerWaalsContact O-CB 3.28Å; L2085-L2089 WeakPolarHBondContact O-CB 3.35Å; L2085-L2089 WeakPolarHBondContact O-CG 3.35Å; L2085-L2089 PolarHBondContact O-N 3.24Å; L2085-Y2138 HydrophobicContact CD2-CD1 4.41Å; L2085-Y2138 HydrophobicContact CD2-CD2 3.46Å; L2085-Y2138 VanDerWaalsContact CD2-CD2 3.46Å; L2085-Y2138 HydrophobicContact CD2-CE1 4.42Å; L2085-Y2138 HydrophobicContact CD2-CE2 3.48Å; L2085-Y2138 VanDerWaalsContact CD2-CE2 3.48Å; L2085-Y2138 HydrophobicContact CD2-CG 3.94Å |
| 2086 | A | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M2072 V2082 T2090 L2096 V2110 V2114 | M2072-A2086 HydrophobicContact CE-CB 4.03Å; M2072-A2086 HydrophobicContact SD-CB 4.27Å; V2082-A2086 WeakPolarHBondContact O-CB 3.46Å; V2082-A2086 PolarHBondContact O-N 3.23Å; A2086-T2090 WeakPolarHBondContact O-CG2 3.49Å; A2086-L2096 HydrophobicContact CB-CD1 4.17Å; A2086-V2110 HydrophobicContact CB-CG1 3.93Å; A2086-V2114 HydrophobicContact CB-CG2 4.19Å |
| 2087 | R | 93.1 | Very high | 90.7 | Very high | 48 Ų | 48 | 22.8 Ų | 22.8 | 18% | 0.181 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | 175.7 | -73.1 | 176.3 | -179.2 | -143.1 | -4.2 | 112.1 | V1923 E2046 H2083 L2085 T2090 E2109 F2113 | V1923-R2087 HydrophobicContact CG2-CB 3.52Å; E2046-R2087 IonicContact OE1-CZ 3.72Å; E2046-R2087 IonicContact OE1-NH1 2.92Å; E2046-R2087 PolarHBondContact OE1-NH1 3.38Å; H2083-R2087 WeakPolarHBondContact O-CB 3.36Å; H2083-R2087 VanDerWaalsContact O-CG 3.3Å; H2083-R2087 WeakPolarHBondContact O-CG 2.96Å; H2083-R2087 PolarHBondContact O-N 3Å; H2083-R2087 VanDerWaalsContact O-N 3.12Å; L2085-R2087 VanDerWaalsContact C-N 3.31Å; L2085-R2087 PolarHBondContact O-N 3.18Å; R2087-T2090 WeakPolarHBondContact O-CB 3.45Å; R2087-T2090 WeakPolarHBondContact O-CG2 3.45Å; R2087-T2090 PolarHBondContact O-N 2.81Å; R2087-T2090 PolarHBondContact O-OG1 3.08Å; R2087-E2109 IonicContact NH2-OE1 3.32Å; R2087-E2109 PolarHBondContact NH2-OE1 3.36Å; R2087-F2113 HydrophobicContact CB-CD1 4.2Å; R2087-F2113 HydrophobicContact CB-CE1 3.85Å; R2087-F2113 HydrophobicContact CB-CZ 4.48Å; R2087-F2113 HydrophobicContact CG-CD1 3.75Å; R2087-F2113 HydrophobicContact CG-CE1 3.86Å; R2087-F2113 HydrophobicContact CG-CG 4.3Å; R2087-F2113 HydrophobicContact CG-CZ 4.49Å |
| 2088 | L | 92.3 | Very high | 91 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.4 | -33.3 | -177.1 | -167.8 | 63 | 0 | 0 | 0 | 112.7 | V1923 F1926 L1931 A2051 L2052 I2055 S2084 L2085 T2090 L2091 | V1923-L2088 HydrophobicContact CB-CB 4.04Å; V1923-L2088 HydrophobicContact CB-CD1 4.08Å; V1923-L2088 HydrophobicContact CB-CG 4.48Å; V1923-L2088 HydrophobicContact CG1-CB 4.22Å; V1923-L2088 HydrophobicContact CG1-CD2 4.43Å; V1923-L2088 HydrophobicContact CG2-CB 4.37Å; F1926-L2088 HydrophobicContact CB-CD1 3.99Å; F1926-L2088 HydrophobicContact CD2-CD1 4.42Å; L1931-L2088 HydrophobicContact CD1-CD1 4.14Å; L1931-L2088 HydrophobicContact CD1-CG 4.28Å; L1931-L2088 HydrophobicContact CD2-CD1 4.2Å; L1931-L2088 HydrophobicContact CD2-CD2 4.26Å; A2051-L2088 HydrophobicContact CB-CB 4.32Å; A2051-L2088 HydrophobicContact CB-CD2 3.84Å; L2052-L2088 HydrophobicContact CD2-CD2 3.99Å; L2052-L2088 HydrophobicContact CG-CD2 4.32Å; I2055-L2088 HydrophobicContact CD1-CB 3.91Å; I2055-L2088 HydrophobicContact CD1-CD2 3.52Å; I2055-L2088 HydrophobicContact CD1-CG 3.5Å; I2055-L2088 VanDerWaalsContact CD1-CG 3.5Å; I2055-L2088 HydrophobicContact CG1-CD2 4.49Å; S2084-L2088 WeakPolarHBondContact O-CB 3.35Å; S2084-L2088 PolarHBondContact O-N 3.16Å; L2085-L2088 PolarHBondContact O-N 3.19Å; L2088-T2090 PolarHBondContact O-N 3.35Å; L2088-L2091 HydrophobicContact CD1-CD1 3.78Å; L2088-L2091 WeakPolarHBondContact O-CB 3.25Å; L2088-L2091 PolarHBondContact O-N 2.95Å; L2088-L2091 VanDerWaalsContact O-N 3.13Å |
| 2089 | L | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.5 | -19.9 | 174.7 | -78 | 170.8 | 0 | 0 | 0 | 113.3 | I2055 V2065 I2070 M2072 L2085 L2091 Y2092 V2094 L2096 | I2055-L2089 HydrophobicContact CD1-CD2 4.07Å; I2055-L2089 HydrophobicContact CD1-CG 4.33Å; I2055-L2089 HydrophobicContact CG1-CD2 4Å; I2055-L2089 HydrophobicContact CG1-CG 4.47Å; V2065-L2089 HydrophobicContact CG1-CD2 3.77Å; I2070-L2089 HydrophobicContact CD1-CD1 3.52Å; I2070-L2089 HydrophobicContact CD1-CD2 3.5Å; I2070-L2089 VanDerWaalsContact CD1-CD2 3.5Å; I2070-L2089 HydrophobicContact CD1-CG 4.14Å; I2070-L2089 HydrophobicContact CG2-CD1 4.19Å; M2072-L2089 HydrophobicContact CE-CD1 3.8Å; L2085-L2089 HydrophobicContact CD1-CD1 3.78Å; L2085-L2089 HydrophobicContact CD1-CD2 4.36Å; L2085-L2089 HydrophobicContact CD1-CG 3.8Å; L2085-L2089 HydrophobicContact CD2-CD1 4.4Å; L2085-L2089 HydrophobicContact CG-CD1 3.66Å; L2085-L2089 HydrophobicContact CG-CG 4.17Å; L2085-L2089 VanDerWaalsContact O-CB 3.28Å; L2085-L2089 WeakPolarHBondContact O-CB 3.35Å; L2085-L2089 WeakPolarHBondContact O-CG 3.35Å; L2085-L2089 PolarHBondContact O-N 3.24Å; L2089-L2091 PolarHBondContact O-N 2.96Å; L2089-L2091 VanDerWaalsContact O-N 3.13Å; L2089-Y2092 WeakPolarHBondContact O-CA 3.26Å; L2089-Y2092 PolarHBondContact O-N 2.71Å; L2089-Y2092 VanDerWaalsContact O-O 3.11Å; L2089-V2094 HydrophobicContact CB-CG2 4.12Å; L2089-V2094 HydrophobicContact CD2-CG1 4.49Å; L2089-L2096 HydrophobicContact CD1-CD2 3.91Å |
| 2090 | T | 91.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 16.6 Ų | 16.6 | 10% | 0.098 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.4 | 173.3 | 69.4 | 0 | 0 | 0 | 0 | 114.2 | A2086 R2087 L2088 Y2092 F2113 V2114 R2117 V2119 | A2086-T2090 WeakPolarHBondContact O-CG2 3.49Å; R2087-T2090 WeakPolarHBondContact O-CB 3.45Å; R2087-T2090 WeakPolarHBondContact O-CG2 3.45Å; R2087-T2090 PolarHBondContact O-N 2.81Å; R2087-T2090 PolarHBondContact O-OG1 3.08Å; L2088-T2090 PolarHBondContact O-N 3.35Å; T2090-Y2092 PolarHBondContact O-N 3.5Å; T2090-F2113 HydrophobicContact CG2-CD1 4.14Å; T2090-F2113 HydrophobicContact CG2-CE1 3.92Å; T2090-V2114 HydrophobicContact CG2-CB 4.41Å; T2090-V2114 HydrophobicContact CG2-CG2 4.06Å; T2090-R2117 HydrophobicContact CG2-CB 3.9Å; T2090-R2117 HydrophobicContact CG2-CG 4.04Å; T2090-V2119 HydrophobicContact CG2-CG2 4.3Å |
| 2091 | L | 88.7 | Confident | 91.4 | Very high | 29 Ų | 29 | 17.1 Ų | 17.1 | 15% | 0.152 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -14.9 | 168.7 | -62.5 | 176.4 | 0 | 0 | 0 | 111.9 | F1926 K1928 L1931 L2088 L2089 | F1926-L2091 WeakPolarHBondContact O-CD1 3.32Å; K1928-L2091 WeakPolarHBondContact CE-O 3.49Å; K1928-L2091 HydrophobicContact CG-CB 4.33Å; K1928-L2091 PolarHBondContact NZ-O 2.83Å; L1931-L2091 HydrophobicContact CD1-CD1 3.71Å; L1931-L2091 HydrophobicContact CG-CD1 4.29Å; L2088-L2091 HydrophobicContact CD1-CD1 3.78Å; L2088-L2091 WeakPolarHBondContact O-CB 3.25Å; L2088-L2091 PolarHBondContact O-N 2.95Å; L2088-L2091 VanDerWaalsContact O-N 3.13Å; L2089-L2091 PolarHBondContact O-N 2.96Å; L2089-L2091 VanDerWaalsContact O-N 3.13Å |
| 2092 | Y | 87.4 | Confident | 91 | Very high | 24 Ų | 24 | 22.1 Ų | 22.1 | 9% | 0.094 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -113.7 | 157.1 | -179.6 | -60.6 | -83.9 | 0 | 0 | 0 | 110.9 | L1931 I2055 V2065 L2089 T2090 V2094 | L1931-Y2092 HydrophobicContact CD1-CE2 3.54Å; L1931-Y2092 VanDerWaalsContact CD1-OH 3.26Å; L1931-Y2092 WeakPolarHBondContact CD1-OH 3.37Å; I2055-Y2092 HydrophobicContact CD1-CD2 4.46Å; I2055-Y2092 HydrophobicContact CD1-CE2 4.04Å; I2055-Y2092 HydrophobicContact CG2-CE2 3.78Å; V2065-Y2092 HydrophobicContact CB-CD1 3.7Å; V2065-Y2092 HydrophobicContact CB-CD2 4.29Å; V2065-Y2092 HydrophobicContact CB-CE1 4.03Å; V2065-Y2092 HydrophobicContact CB-CG 3.83Å; V2065-Y2092 HydrophobicContact CG1-CD1 4.07Å; V2065-Y2092 HydrophobicContact CG1-CD2 3.81Å; V2065-Y2092 HydrophobicContact CG1-CE2 4.37Å; V2065-Y2092 HydrophobicContact CG1-CG 3.63Å; V2065-Y2092 HydrophobicContact CG2-CD1 4.44Å; V2065-Y2092 HydrophobicContact CG2-CE1 4.27Å; L2089-Y2092 WeakPolarHBondContact O-CA 3.26Å; L2089-Y2092 PolarHBondContact O-N 2.71Å; L2089-Y2092 VanDerWaalsContact O-O 3.11Å; T2090-Y2092 PolarHBondContact O-N 3.5Å; Y2092-V2094 PolarHBondContact O-N 3.4Å |
| 2093 | N | 85.1 | Confident | 90.6 | Very high | 111 Ų | 111 | 25.1 Ų | 25.1 | 59% | 0.594 | 14% | 0.136 | S | C | * | . | trans | -82.3 | 92.3 | 173.1 | -177.5 | 21.4 | 0 | 0 | 0 | 109.1 | N2066 G2067 | N2066-N2093 CarbonylContact C-O 3.56Å; N2066-N2093 WeakPolarHBondContact CA-O 3.48Å; N2066-N2093 HydrophobicContact CB-CB 4.49Å; N2066-N2093 PolarHBondContact OD1-N 3.05Å; G2067-N2093 PolarHBondContact N-O 3.21Å | ||
| 2094 | V | 90.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | trans | -125.9 | 162.2 | -178.1 | -65.1 | 0 | 0 | 0 | 0 | 111.4 | V2065 L2068 I2070 L2089 Y2092 L2096 V2119 | V2065-V2094 HydrophobicContact CG1-CG1 4.22Å; V2065-V2094 WeakPolarHBondContact O-CG1 3.43Å; L2068-V2094 WeakPolarHBondContact O-CA 3.45Å; L2068-V2094 WeakPolarHBondContact O-CB 3.18Å; I2070-V2094 HydrophobicContact CD1-CB 4.31Å; I2070-V2094 HydrophobicContact CD1-CG1 3.95Å; L2089-V2094 HydrophobicContact CB-CG2 4.12Å; L2089-V2094 HydrophobicContact CD2-CG1 4.49Å; Y2092-V2094 PolarHBondContact O-N 3.4Å; V2094-L2096 HydrophobicContact CG2-CD2 3.86Å; V2094-L2096 HydrophobicContact CG2-CG 4.26Å; V2094-V2119 HydrophobicContact CG2-CG1 4.09Å; V2094-V2119 WeakPolarHBondContact O-CG1 3.43Å | ||
| 2095 | N | 92 | Very high | 90.4 | Very high | 56 Ų | 56 | 27.4 Ų | 27.4 | 30% | 0.299 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.9 | 163.6 | -60.3 | -56 | 0 | 0 | 0 | 108.4 | L2068 T2069 I2070 K2120 | L2068-N2095 PolarHBondContact O-N 3.1Å; T2069-N2095 CarbonylContact C-O 3.59Å; T2069-N2095 WeakPolarHBondContact CA-O 3.5Å; T2069-N2095 HydrophobicContact CG2-CB 4.35Å; I2070-N2095 PolarHBondContact N-O 3.2Å; N2095-K2120 WeakPolarHBondContact OD1-CB 3.49Å |
| 2096 | L | 94.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133.4 | 175.9 | -59.8 | -171.8 | 0 | 0 | 0 | 110.6 | I2070 M2072 A2086 L2089 V2094 Y2098 V2114 V2119 K2120 Q2121 L2122 | I2070-L2096 HydrophobicContact CB-CD2 3.86Å; I2070-L2096 HydrophobicContact CG2-CD2 4.39Å; I2070-L2096 WeakPolarHBondContact O-CA 3.1Å; M2072-L2096 HydrophobicContact CE-CD2 4.34Å; A2086-L2096 HydrophobicContact CB-CD1 4.17Å; L2089-L2096 HydrophobicContact CD1-CD2 3.91Å; V2094-L2096 HydrophobicContact CG2-CD2 3.86Å; V2094-L2096 HydrophobicContact CG2-CG 4.26Å; L2096-Y2098 HydrophobicContact CB-CE1 4.27Å; L2096-Y2098 WeakPolarHBondContact CD1-OH 3.36Å; L2096-V2114 HydrophobicContact CD1-CG1 3.86Å; L2096-V2114 HydrophobicContact CD1-CG2 4.25Å; L2096-V2119 HydrophobicContact CD1-CG1 4.14Å; L2096-V2119 HydrophobicContact CG-CG1 3.83Å; L2096-K2120 PolarHBondContact N-O 3.43Å; L2096-Q2121 HydrophobicContact CB-CG 4.45Å; L2096-Q2121 CarbonylContact O-C 3.58Å; L2096-Q2121 VanDerWaalsContact O-CA 3.26Å; L2096-Q2121 WeakPolarHBondContact O-CA 3.2Å; L2096-L2122 PolarHBondContact O-N 3.28Å |
| 2097 | Q | 94.6 | Very high | 90.3 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 7% | 0.065 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141.1 | 172.9 | -55.1 | -174.5 | -19.4 | 0 | 0 | 109.8 | T2069 I2070 T2071 M2072 L2122 V2130 | T2069-Q2097 VanDerWaalsContact CG2-CD 3.46Å; T2069-Q2097 HydrophobicContact CG2-CG 3.8Å; I2070-Q2097 PolarHBondContact O-N 3.28Å; T2071-Q2097 CarbonylContact C-O 3.57Å; T2071-Q2097 WeakPolarHBondContact CA-O 3.46Å; T2071-Q2097 HydrophobicContact CG2-CB 4.06Å; T2071-Q2097 PolarHBondContact OG1-OE1 3.42Å; T2071-Q2097 VanDerWaalsContact OG1-OE1 3.06Å; M2072-Q2097 PolarHBondContact N-O 3.03Å; Q2097-L2122 CarbonylContact C-O 3.53Å; Q2097-L2122 VanDerWaalsContact CA-O 3.22Å; Q2097-L2122 WeakPolarHBondContact CA-O 3.28Å; Q2097-L2122 HydrophobicContact CG-CB 4.25Å; Q2097-L2122 HydrophobicContact CG-CD2 4.42Å; Q2097-V2130 VanDerWaalsContact OE1-CB 3.27Å |
| 2098 | Y | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.5 | -177.5 | -55.3 | -58 | 0 | 0 | 0 | 110.4 | M2072 L2076 L2096 M2106 Q2121 L2122 F2123 A2124 | M2072-Y2098 HydrophobicContact CB-CD1 4.22Å; M2072-Y2098 HydrophobicContact SD-CE1 4.07Å; L2076-Y2098 HydrophobicContact CD1-CD1 3.94Å; L2076-Y2098 HydrophobicContact CD1-CG 4.21Å; L2096-Y2098 HydrophobicContact CB-CE1 4.27Å; L2096-Y2098 WeakPolarHBondContact CD1-OH 3.36Å; Y2098-M2106 HydrophobicContact CD1-CE 3.71Å; Y2098-M2106 HydrophobicContact CE1-CE 3.37Å; Y2098-Q2121 HydrophobicContact CE2-CB 4.07Å; Y2098-Q2121 HydrophobicContact CE2-CG 3.98Å; Y2098-Q2121 VanDerWaalsContact CE2-OE1 3.3Å; Y2098-Q2121 PolarHBondContact OH-OE1 2.79Å; Y2098-L2122 PolarHBondContact N-O 3.23Å; Y2098-F2123 AromaticContact CD2-CD1 3.81Å; Y2098-F2123 HydrophobicContact CD2-CD1 3.81Å; Y2098-F2123 AromaticContact CD2-CE1 3.41Å; Y2098-F2123 HydrophobicContact CD2-CE1 3.41Å; Y2098-F2123 VanDerWaalsContact CD2-CE1 3.41Å; Y2098-F2123 HydrophobicContact CD2-CE2 4.24Å; Y2098-F2123 HydrophobicContact CD2-CG 4.38Å; Y2098-F2123 AromaticContact CD2-CZ 3.64Å; Y2098-F2123 HydrophobicContact CD2-CZ 3.64Å; Y2098-F2123 HydrophobicContact CE2-CE1 4.16Å; Y2098-F2123 AromaticContact CE2-CZ 4Å; Y2098-F2123 HydrophobicContact CE2-CZ 4Å; Y2098-F2123 HydrophobicContact CG-CD1 4.33Å; Y2098-F2123 HydrophobicContact CG-CE1 4.17Å; Y2098-A2124 PolarHBondContact O-N 2.93Å |
| 2099 | V | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 104.5 | 174.9 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | T2071 M2072 V2073 G2074 A2124 V2130 L2160 | T2071-V2099 HydrophobicContact CG2-CG2 3.99Å; M2072-V2099 PolarHBondContact O-N 2.94Å; V2073-V2099 CarbonylContact C-O 3.51Å; V2073-V2099 WeakPolarHBondContact CA-O 3.27Å; V2073-V2099 HydrophobicContact CB-CB 4.41Å; V2073-V2099 HydrophobicContact CG1-CB 4.11Å; V2073-V2099 HydrophobicContact CG1-CG1 4.32Å; V2073-V2099 HydrophobicContact CG2-CB 3.96Å; V2073-V2099 HydrophobicContact CG2-CG2 4.26Å; G2074-V2099 PolarHBondContact N-O 3.31Å; V2099-A2124 WeakPolarHBondContact CA-O 3.47Å; V2099-A2124 HydrophobicContact CG2-CB 4.21Å; V2099-V2130 HydrophobicContact CG2-CG2 3.78Å; V2099-L2160 HydrophobicContact CG1-CD1 4.22Å; V2099-L2160 HydrophobicContact CG1-CD2 3.76Å |
| 2100 | A | 90.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | trans | -144.2 | 155.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G2074 L2076 L2104 Q2105 | G2074-A2100 VanDerWaalsContact O-CB 3.26Å; G2074-A2100 WeakPolarHBondContact O-CB 3.28Å; L2076-A2100 HydrophobicContact CB-CB 4.42Å; L2076-A2100 HydrophobicContact CD1-CB 3.86Å; L2076-A2100 HydrophobicContact CG-CB 3.94Å; A2100-L2104 WeakPolarHBondContact CB-O 3.46Å; A2100-Q2105 PolarHBondContact O-NE2 3.46Å | ||
| 2101 | P | 86.6 | Confident | 89.8 | Confident | 25 Ų | 25 | 39 Ų | 39 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | trans | -56.2 | 149.8 | 163.7 | -22.4 | 34.7 | 0 | 0 | 0 | 111 | S2103 L2104 C2156 L2160 | P2101-S2103 PolarHBondContact O-N 2.9Å; P2101-L2104 HydrophobicContact CB-CD1 4.47Å; P2101-L2104 HydrophobicContact CG-CD1 4.16Å; P2101-L2104 PolarHBondContact O-N 2.94Å; P2101-C2156 HydrophobicContact CB-CB 4.43Å; P2101-C2156 HydrophobicContact CG-CB 4.24Å; P2101-L2160 HydrophobicContact CG-CD1 4.44Å | ||
| 2102 | N | 81.1 | Confident | 89.8 | Confident | 120 Ų | 120 | 43.3 Ų | 43.3 | 64% | 0.642 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -53.4 | -34.1 | -176.8 | -77.1 | -16.3 | 0 | 0 | 0 | 113.7 | L2104 | N2102-L2104 VanDerWaalsContact C-N 3.32Š|
| 2103 | S | 84 | Confident | 90 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -77.5 | -12.8 | -179.7 | 46.5 | 0 | 0 | 0 | 0 | 114.4 | K2077 P2101 C2156 | K2077-S2103 WeakPolarHBondContact CD-O 3.47Å; P2101-S2103 PolarHBondContact O-N 2.9Å; S2103-C2156 PolarHBondContact OG-SG 3.07Å |
| 2104 | L | 89.5 | Confident | 90.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -125.9 | 26.4 | -170.6 | -55.7 | 175.8 | 0 | 0 | 0 | 113.1 | D2075 L2076 K2077 A2100 P2101 N2102 I2142 F2147 C2156 | D2075-L2104 HydrophobicContact CB-CD1 4.16Å; L2076-L2104 WeakPolarHBondContact CA-O 3.23Å; L2076-L2104 WeakPolarHBondContact CB-O 3.4Å; L2076-L2104 PolarHBondContact N-O 3.05Å; K2077-L2104 HydrophobicContact CB-CB 4.48Å; K2077-L2104 PolarHBondContact N-O 3.46Å; K2077-L2104 VanDerWaalsContact N-O 3.1Å; A2100-L2104 WeakPolarHBondContact CB-O 3.46Å; P2101-L2104 HydrophobicContact CB-CD1 4.47Å; P2101-L2104 HydrophobicContact CG-CD1 4.16Å; P2101-L2104 PolarHBondContact O-N 2.94Å; N2102-L2104 VanDerWaalsContact C-N 3.32Å; L2104-I2142 HydrophobicContact CD1-CD1 3.73Å; L2104-I2142 HydrophobicContact CD1-CG2 4.15Å; L2104-F2147 HydrophobicContact CD1-CZ 3.91Å; L2104-F2147 HydrophobicContact CD2-CE1 4.3Å; L2104-F2147 HydrophobicContact CD2-CE2 4.46Å; L2104-F2147 HydrophobicContact CD2-CZ 3.78Å; L2104-F2147 HydrophobicContact CG-CZ 4.33Å; L2104-C2156 HydrophobicContact CD1-CB 3.98Å |
| 2105 | Q | 91.6 | Very high | 90.2 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 158.4 | 176.7 | -67.4 | -66.8 | -27.2 | 0 | 0 | 112.2 | K2077 A2100 | K2077-Q2105 WeakPolarHBondContact CA-O 3.46Å; K2077-Q2105 WeakPolarHBondContact CB-O 3.48Å; K2077-Q2105 PolarHBondContact N-O 3.06Å; A2100-Q2105 PolarHBondContact O-NE2 3.46Å |
| 2106 | M | 92.6 | Very high | 89.9 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 133.5 | 175.2 | -171 | 66.7 | 75 | 0 | 0 | 110.1 | M2072 L2076 V2082 Y2098 V2110 V2111 | M2072-M2106 HydrophobicContact SD-CE 3.94Å; L2076-M2106 HydrophobicContact CB-CB 4.28Å; L2076-M2106 HydrophobicContact CB-CE 4.24Å; L2076-M2106 HydrophobicContact CB-SD 4.46Å; L2076-M2106 HydrophobicContact CD1-CE 4.43Å; L2076-M2106 HydrophobicContact CD2-CE 4.42Å; V2082-M2106 HydrophobicContact CB-CE 4.24Å; V2082-M2106 HydrophobicContact CG2-CE 4.16Å; V2082-M2106 HydrophobicContact CG2-SD 4.5Å; Y2098-M2106 HydrophobicContact CD1-CE 3.71Å; Y2098-M2106 HydrophobicContact CE1-CE 3.37Å; M2106-V2110 HydrophobicContact CG-CB 4.03Å; M2106-V2110 HydrophobicContact CG-CG1 4.11Å; M2106-V2110 HydrophobicContact SD-CB 4.1Å; M2106-V2110 HydrophobicContact SD-CG1 3.86Å; M2106-V2111 HydrophobicContact CB-CG2 3.81Å; M2106-V2111 HydrophobicContact CG-CG2 3.71Å |
| 2107 | P | 90.3 | Very high | 89.7 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 21% | 0.208 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 140.4 | 178.9 | -24.5 | 34.5 | 0 | 0 | 0 | 112 | L2076 H2083 E2109 V2110 V2111 | L2076-P2107 WeakPolarHBondContact O-CD 3.39Å; H2083-P2107 WeakPolarHBondContact NE2-CD 3.26Å; P2107-E2109 HydrophobicContact CB-CG 4.12Å; P2107-E2109 PolarHBondContact O-N 3.46Å; P2107-E2109 VanDerWaalsContact O-N 3.11Å; P2107-V2110 HydrophobicContact CB-CG2 4.45Å; P2107-V2110 PolarHBondContact O-N 3.03Å; P2107-V2111 PolarHBondContact O-N 3.24Å; P2107-V2111 VanDerWaalsContact O-N 3.16Å |
| 2108 | D | 89.5 | Confident | 89.3 | Confident | 126 Ų | 126 | 59.4 Ų | 59.4 | 67% | 0.674 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -55.2 | -33.9 | -177.8 | -69.6 | -33.8 | 0 | 0 | 0 | 112.6 | V2110 V2111 Q2112 | D2108-V2110 VanDerWaalsContact C-N 3.31Å; D2108-V2110 PolarHBondContact O-N 3.01Å; D2108-V2111 PolarHBondContact O-N 3.23Å; D2108-Q2112 VanDerWaalsContact O-CB 3.3Å; D2108-Q2112 WeakPolarHBondContact O-CB 3.37Å; D2108-Q2112 VanDerWaalsContact O-CG 3.25Å; D2108-Q2112 WeakPolarHBondContact O-CG 3.35Å; D2108-Q2112 PolarHBondContact O-N 3.36Å |
| 2109 | E | 89.1 | Confident | 89 | Confident | 119 Ų | 119 | 60 Ų | 60 | 56% | 0.556 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.8 | -37.7 | 176.7 | 65.5 | 162.5 | -126.9 | 0 | 0 | 113 | R2087 P2107 F2113 | R2087-E2109 IonicContact NH2-OE1 3.32Å; R2087-E2109 PolarHBondContact NH2-OE1 3.36Å; P2107-E2109 HydrophobicContact CB-CG 4.12Å; P2107-E2109 PolarHBondContact O-N 3.46Å; P2107-E2109 VanDerWaalsContact O-N 3.11Å; E2109-F2113 WeakPolarHBondContact O-CB 3.37Å; E2109-F2113 PolarHBondContact O-N 3.22Å |
| 2110 | V | 89.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -77.1 | -43.5 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | H2083 A2086 M2106 P2107 D2108 Q2112 F2113 V2114 | H2083-V2110 HydrophobicContact CB-CG2 4.28Å; A2086-V2110 HydrophobicContact CB-CG1 3.93Å; M2106-V2110 HydrophobicContact CG-CB 4.03Å; M2106-V2110 HydrophobicContact CG-CG1 4.11Å; M2106-V2110 HydrophobicContact SD-CB 4.1Å; M2106-V2110 HydrophobicContact SD-CG1 3.86Å; P2107-V2110 HydrophobicContact CB-CG2 4.45Å; P2107-V2110 PolarHBondContact O-N 3.03Å; D2108-V2110 VanDerWaalsContact C-N 3.31Å; D2108-V2110 PolarHBondContact O-N 3.01Å; V2110-Q2112 VanDerWaalsContact C-N 3.3Å; V2110-Q2112 PolarHBondContact O-N 3.36Å; V2110-F2113 WeakPolarHBondContact O-CB 3.49Å; V2110-F2113 PolarHBondContact O-N 3.15Å; V2110-V2114 HydrophobicContact CG1-CG2 4.4Å; V2110-V2114 VanDerWaalsContact O-CG2 3.29Å; V2110-V2114 WeakPolarHBondContact O-CG2 3.37Å; V2110-V2114 PolarHBondContact O-N 2.78Å |
| 2111 | V | 91.1 | Very high | 88.9 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 16% | 0.164 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.2 | -45 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | M2106 P2107 D2108 V2114 H2115 Q2121 F2123 | M2106-V2111 HydrophobicContact CB-CG2 3.81Å; M2106-V2111 HydrophobicContact CG-CG2 3.71Å; P2107-V2111 PolarHBondContact O-N 3.24Å; P2107-V2111 VanDerWaalsContact O-N 3.16Å; D2108-V2111 PolarHBondContact O-N 3.23Å; V2111-V2114 PolarHBondContact O-N 2.96Å; V2111-H2115 VanDerWaalsContact O-CB 3.31Å; V2111-H2115 WeakPolarHBondContact O-CB 3.49Å; V2111-H2115 PolarHBondContact O-N 3.12Å; V2111-Q2121 PolarHBondContact O-NE2 3.03Å; V2111-F2123 HydrophobicContact CG1-CZ 3.92Å; V2111-F2123 HydrophobicContact CG2-CE1 4.34Å; V2111-F2123 HydrophobicContact CG2-CZ 3.99Å |
| 2112 | Q | 89.9 | Confident | 89.2 | Confident | 120 Ų | 120 | 71.2 Ų | 71.2 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 175.7 | -75 | 180 | 9.2 | 0 | 0 | 112.1 | D2108 V2110 V2114 H2115 Q2116 | D2108-Q2112 VanDerWaalsContact O-CB 3.3Å; D2108-Q2112 WeakPolarHBondContact O-CB 3.37Å; D2108-Q2112 VanDerWaalsContact O-CG 3.25Å; D2108-Q2112 WeakPolarHBondContact O-CG 3.35Å; D2108-Q2112 PolarHBondContact O-N 3.36Å; V2110-Q2112 VanDerWaalsContact C-N 3.3Å; V2110-Q2112 PolarHBondContact O-N 3.36Å; Q2112-V2114 VanDerWaalsContact C-N 3.35Å; Q2112-V2114 PolarHBondContact O-N 3.03Å; Q2112-H2115 PolarHBondContact O-N 2.92Å; Q2112-Q2116 VanDerWaalsContact O-CG 3.31Å; Q2112-Q2116 WeakPolarHBondContact O-CG 3.38Å; Q2112-Q2116 PolarHBondContact O-N 3.26Å |
| 2113 | F | 90.8 | Very high | 89.7 | Confident | 45 Ų | 45 | 70.6 Ų | 70.6 | 20% | 0.197 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 176.3 | 179.8 | -85.4 | 0 | 0 | 0 | 111.8 | R2087 T2090 E2109 V2110 H2115 Q2116 R2117 | R2087-F2113 HydrophobicContact CB-CD1 4.2Å; R2087-F2113 HydrophobicContact CB-CE1 3.85Å; R2087-F2113 HydrophobicContact CB-CZ 4.48Å; R2087-F2113 HydrophobicContact CG-CD1 3.75Å; R2087-F2113 HydrophobicContact CG-CE1 3.86Å; R2087-F2113 HydrophobicContact CG-CG 4.3Å; R2087-F2113 HydrophobicContact CG-CZ 4.49Å; T2090-F2113 HydrophobicContact CG2-CD1 4.14Å; T2090-F2113 HydrophobicContact CG2-CE1 3.92Å; E2109-F2113 WeakPolarHBondContact O-CB 3.37Å; E2109-F2113 PolarHBondContact O-N 3.22Å; V2110-F2113 WeakPolarHBondContact O-CB 3.49Å; V2110-F2113 PolarHBondContact O-N 3.15Å; F2113-H2115 VanDerWaalsContact C-N 3.34Å; F2113-Q2116 PolarHBondContact O-N 2.8Å; F2113-R2117 HydrophobicContact CE1-CG 4.34Å; F2113-R2117 PolarHBondContact O-N 3.37Å |
| 2114 | V | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 177.8 | 174 | 0 | 0 | 0 | 0 | 110.7 | A2086 T2090 L2096 V2110 V2111 Q2112 R2117 G2118 V2119 Q2121 | A2086-V2114 HydrophobicContact CB-CG2 4.19Å; T2090-V2114 HydrophobicContact CG2-CB 4.41Å; T2090-V2114 HydrophobicContact CG2-CG2 4.06Å; L2096-V2114 HydrophobicContact CD1-CG1 3.86Å; L2096-V2114 HydrophobicContact CD1-CG2 4.25Å; V2110-V2114 HydrophobicContact CG1-CG2 4.4Å; V2110-V2114 VanDerWaalsContact O-CG2 3.29Å; V2110-V2114 WeakPolarHBondContact O-CG2 3.37Å; V2110-V2114 PolarHBondContact O-N 2.78Å; V2111-V2114 PolarHBondContact O-N 2.96Å; Q2112-V2114 VanDerWaalsContact C-N 3.35Å; Q2112-V2114 PolarHBondContact O-N 3.03Å; V2114-R2117 PolarHBondContact O-N 2.87Å; V2114-G2118 PolarHBondContact O-N 3.37Å; V2114-V2119 HydrophobicContact CG1-CB 3.59Å; V2114-V2119 HydrophobicContact CG1-CG1 3.6Å; V2114-V2119 PolarHBondContact O-N 2.79Å; V2114-Q2121 HydrophobicContact CB-CG 4.48Å; V2114-Q2121 HydrophobicContact CG1-CG 3.6Å |
| 2115 | H | 89.2 | Confident | 89.4 | Confident | 142 Ų | 142 | 77.8 Ų | 77.8 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 177.9 | -173.7 | 72.4 | 0 | 0 | 0 | 112.2 | V2111 Q2112 F2113 R2117 G2118 Q2121 | V2111-H2115 VanDerWaalsContact O-CB 3.31Å; V2111-H2115 WeakPolarHBondContact O-CB 3.49Å; V2111-H2115 PolarHBondContact O-N 3.12Å; Q2112-H2115 PolarHBondContact O-N 2.92Å; F2113-H2115 VanDerWaalsContact C-N 3.34Å; H2115-R2117 PolarHBondContact O-N 2.84Å; H2115-G2118 PolarHBondContact O-N 3.34Å; H2115-Q2121 VanDerWaalsContact N-NE2 3.16Å |
| 2116 | Q | 86.5 | Confident | 89 | Confident | 153 Ų | 153 | 78.4 Ų | 78.4 | 72% | 0.715 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.9 | -26.4 | 176.3 | -73.9 | 174 | 9.4 | 0 | 0 | 113.1 | Q2112 F2113 G2118 | Q2112-Q2116 VanDerWaalsContact O-CG 3.31Å; Q2112-Q2116 WeakPolarHBondContact O-CG 3.38Å; Q2112-Q2116 PolarHBondContact O-N 3.26Å; F2113-Q2116 PolarHBondContact O-N 2.8Å; Q2116-G2118 VanDerWaalsContact C-N 3.32Å |
| 2117 | R | 89.4 | Confident | 88.6 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 3.5 | 176.2 | -67.4 | -71.2 | -171.7 | 121.7 | -1 | 113.7 | T2090 F2113 V2114 H2115 V2119 | T2090-R2117 HydrophobicContact CG2-CB 3.9Å; T2090-R2117 HydrophobicContact CG2-CG 4.04Å; F2113-R2117 HydrophobicContact CE1-CG 4.34Å; F2113-R2117 PolarHBondContact O-N 3.37Å; V2114-R2117 PolarHBondContact O-N 2.87Å; H2115-R2117 PolarHBondContact O-N 2.84Å; R2117-V2119 VanDerWaalsContact C-N 3.34Å; R2117-V2119 PolarHBondContact O-N 2.87Å |
| 2118 | G | 85.5 | Confident | 88.3 | Confident | 71 Ų | 71 | 79.7 Ų | 79.7 | 73% | 0.732 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 16.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V2114 H2115 Q2116 | V2114-G2118 PolarHBondContact O-N 3.37Å; H2115-G2118 PolarHBondContact O-N 3.34Å; Q2116-G2118 VanDerWaalsContact C-N 3.32Å |
| 2119 | V | 88.8 | Confident | 87.9 | Confident | 11 Ų | 11 | 79.2 Ų | 79.2 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | trans | -83.7 | 129.4 | 178.4 | 169.8 | 0 | 0 | 0 | 0 | 110 | T2090 V2094 L2096 V2114 R2117 | T2090-V2119 HydrophobicContact CG2-CG2 4.3Å; V2094-V2119 HydrophobicContact CG2-CG1 4.09Å; V2094-V2119 WeakPolarHBondContact O-CG1 3.43Å; L2096-V2119 HydrophobicContact CD1-CG1 4.14Å; L2096-V2119 HydrophobicContact CG-CG1 3.83Å; V2114-V2119 HydrophobicContact CG1-CB 3.59Å; V2114-V2119 HydrophobicContact CG1-CG1 3.6Å; V2114-V2119 PolarHBondContact O-N 2.79Å; R2117-V2119 VanDerWaalsContact C-N 3.34Å; R2117-V2119 PolarHBondContact O-N 2.87Å | ||
| 2120 | K | 89.4 | Confident | 87.9 | Confident | 151 Ų | 151 | 73.9 Ų | 73.9 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 132.3 | 179.8 | -169.9 | 179.7 | -179.1 | -176.7 | 0 | 110.1 | N2095 L2096 | N2095-K2120 WeakPolarHBondContact OD1-CB 3.49Å; L2096-K2120 PolarHBondContact N-O 3.43Å |
| 2121 | Q | 92 | Very high | 87.7 | Confident | 36 Ų | 36 | 73.9 Ų | 73.9 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.6 | -177 | -67.5 | 175.4 | 83.7 | 0 | 0 | 110.5 | L2096 Y2098 V2111 V2114 H2115 F2123 | L2096-Q2121 HydrophobicContact CB-CG 4.45Å; L2096-Q2121 CarbonylContact O-C 3.58Å; L2096-Q2121 VanDerWaalsContact O-CA 3.26Å; L2096-Q2121 WeakPolarHBondContact O-CA 3.2Å; Y2098-Q2121 HydrophobicContact CE2-CB 4.07Å; Y2098-Q2121 HydrophobicContact CE2-CG 3.98Å; Y2098-Q2121 VanDerWaalsContact CE2-OE1 3.3Å; Y2098-Q2121 PolarHBondContact OH-OE1 2.79Å; V2111-Q2121 PolarHBondContact O-NE2 3.03Å; V2114-Q2121 HydrophobicContact CB-CG 4.48Å; V2114-Q2121 HydrophobicContact CG1-CG 3.6Å; H2115-Q2121 VanDerWaalsContact N-NE2 3.16Å; Q2121-F2123 HydrophobicContact CB-CE2 4.46Å |
| 2122 | L | 91.9 | Very high | 87.4 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 42% | 0.419 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.8 | 176.2 | -177.4 | 144.1 | 0 | 0 | 0 | 110.6 | L2096 Q2097 Y2098 A2124 V2130 | L2096-L2122 PolarHBondContact O-N 3.28Å; Q2097-L2122 CarbonylContact C-O 3.53Å; Q2097-L2122 VanDerWaalsContact CA-O 3.22Å; Q2097-L2122 WeakPolarHBondContact CA-O 3.28Å; Q2097-L2122 HydrophobicContact CG-CB 4.25Å; Q2097-L2122 HydrophobicContact CG-CD2 4.42Å; Y2098-L2122 PolarHBondContact N-O 3.23Å; L2122-A2124 HydrophobicContact CD2-CB 4.19Å; L2122-V2130 HydrophobicContact CD2-CG1 4.14Å |
| 2123 | F | 91.2 | Very high | 87.2 | Confident | 107 Ų | 107 | 74.5 Ų | 74.5 | 47% | 0.469 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.8 | 180 | -62 | -97.6 | 0 | 0 | 0 | 109.2 | Y2098 V2111 Q2121 | Y2098-F2123 AromaticContact CD2-CD1 3.81Å; Y2098-F2123 HydrophobicContact CD2-CD1 3.81Å; Y2098-F2123 AromaticContact CD2-CE1 3.41Å; Y2098-F2123 HydrophobicContact CD2-CE1 3.41Å; Y2098-F2123 VanDerWaalsContact CD2-CE1 3.41Å; Y2098-F2123 HydrophobicContact CD2-CE2 4.24Å; Y2098-F2123 HydrophobicContact CD2-CG 4.38Å; Y2098-F2123 AromaticContact CD2-CZ 3.64Å; Y2098-F2123 HydrophobicContact CD2-CZ 3.64Å; Y2098-F2123 HydrophobicContact CE2-CE1 4.16Å; Y2098-F2123 AromaticContact CE2-CZ 4Å; Y2098-F2123 HydrophobicContact CE2-CZ 4Å; Y2098-F2123 HydrophobicContact CG-CD1 4.33Å; Y2098-F2123 HydrophobicContact CG-CE1 4.17Å; V2111-F2123 HydrophobicContact CG1-CZ 3.92Å; V2111-F2123 HydrophobicContact CG2-CE1 4.34Å; V2111-F2123 HydrophobicContact CG2-CZ 3.99Å; Q2121-F2123 HydrophobicContact CB-CE2 4.46Å |
| 2124 | A | 87.1 | Confident | 87.2 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 152.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y2098 V2099 L2122 V2130 | Y2098-A2124 PolarHBondContact O-N 2.93Å; V2099-A2124 WeakPolarHBondContact CA-O 3.47Å; V2099-A2124 HydrophobicContact CG2-CB 4.21Å; L2122-A2124 HydrophobicContact CD2-CB 4.19Å; A2124-V2130 HydrophobicContact CB-CG1 3.43Å; A2124-V2130 VanDerWaalsContact CB-CG1 3.43Å |
| 2125 | R | 80.8 | Confident | 87.2 | Confident | 202 Ų | 202 | 73.4 Ų | 73.4 | 76% | 0.762 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -96.6 | -27.8 | 178.7 | -68.2 | -173.7 | 177.1 | 178.4 | 1.4 | 113.5 | ||
| 2126 | D | 83 | Confident | 87.4 | Confident | 66 Ų | 66 | 66.7 Ų | 66.7 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | trans | -119.4 | 128.9 | -177.1 | -174.7 | -4.6 | 0 | 0 | 0 | 109.4 | K2128 N2129 | D2126-K2128 PolarHBondContact O-N 3.28Å; D2126-K2128 WeakPolarHBondContact OD1-CB 3.26Å; D2126-K2128 PolarHBondContact OD1-N 3.44Å; D2126-N2129 PolarHBondContact O-N 3.43Å | ||
| 2127 | L | 85 | Confident | 87.9 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -59 | -35 | 176 | -173.4 | 64.4 | 0 | 0 | 0 | 111.8 | V2073 N2129 V2130 L2131 L2137 L2162 | V2073-L2127 HydrophobicContact CG1-CD1 4.47Å; V2073-L2127 HydrophobicContact CG2-CD1 3.92Å; L2127-N2129 PolarHBondContact O-N 3.2Å; L2127-V2130 HydrophobicContact CD1-CG2 4.32Å; L2127-V2130 WeakPolarHBondContact O-CG2 3.19Å; L2127-V2130 PolarHBondContact O-N 3.39Å; L2127-L2131 HydrophobicContact CD1-CD1 4.47Å; L2127-L2131 HydrophobicContact CD1-CD2 4.21Å; L2127-L2131 HydrophobicContact CD1-CG 4.1Å; L2127-L2131 HydrophobicContact CD2-CD1 4.13Å; L2127-L2131 HydrophobicContact CG-CD1 3.71Å; L2127-L2131 HydrophobicContact CG-CD2 4.29Å; L2127-L2131 HydrophobicContact CG-CG 3.85Å; L2127-L2131 VanDerWaalsContact O-CG 3.29Å; L2127-L2131 WeakPolarHBondContact O-CG 3.3Å; L2127-L2131 PolarHBondContact O-N 3.04Å; L2127-L2131 VanDerWaalsContact O-N 3.13Å; L2127-L2137 HydrophobicContact CD1-CD1 3.79Å; L2127-L2162 HydrophobicContact CD2-CD1 3.73Å |
| 2128 | K | 82.8 | Confident | 88.2 | Confident | 62 Ų | 62 | 53 Ų | 53 | 27% | 0.27 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -62 | -26.2 | -177.4 | -69.4 | -177.4 | -180 | -171 | 0 | 114.1 | D2126 E2165 H2166 | D2126-K2128 PolarHBondContact O-N 3.28Å; D2126-K2128 WeakPolarHBondContact OD1-CB 3.26Å; D2126-K2128 PolarHBondContact OD1-N 3.44Å; K2128-E2165 IonicContact NZ-OE1 3.61Å; K2128-H2166 WeakPolarHBondContact CE-NE2 3.37Å |
| 2129 | N | 82.8 | Confident | 88.6 | Confident | 117 Ų | 117 | 49.7 Ų | 49.7 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -83.1 | -18.6 | -177.7 | -66.8 | -19.4 | 0 | 0 | 0 | 113.1 | D2126 L2127 | D2126-N2129 PolarHBondContact O-N 3.43Å; L2127-N2129 PolarHBondContact O-N 3.2Å |
| 2130 | V | 88.4 | Confident | 88.7 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -23.6 | -174.4 | -71 | 0 | 0 | 0 | 0 | 113.6 | T2071 Q2097 V2099 L2122 A2124 L2127 P2132 D2133 T2134 | T2071-V2130 HydrophobicContact CG2-CG2 4.03Å; Q2097-V2130 VanDerWaalsContact OE1-CB 3.27Å; V2099-V2130 HydrophobicContact CG2-CG2 3.78Å; L2122-V2130 HydrophobicContact CD2-CG1 4.14Å; A2124-V2130 HydrophobicContact CB-CG1 3.43Å; A2124-V2130 VanDerWaalsContact CB-CG1 3.43Å; L2127-V2130 HydrophobicContact CD1-CG2 4.32Å; L2127-V2130 WeakPolarHBondContact O-CG2 3.19Å; L2127-V2130 PolarHBondContact O-N 3.39Å; V2130-P2132 VanDerWaalsContact C-CD 3.42Å; V2130-D2133 PolarHBondContact O-N 3.36Å; V2130-D2133 VanDerWaalsContact O-N 3.14Å; V2130-T2134 PolarHBondContact O-N 2.85Å; V2130-T2134 VanDerWaalsContact O-N 3.15Å; V2130-T2134 PolarHBondContact O-OG1 3.46Å |
| 2131 | L | 85.5 | Confident | 88.7 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -54.2 | -40.1 | -179.3 | -80.6 | 167.4 | 0 | 0 | 0 | 115.2 | L2127 D2133 T2134 L2137 H2166 R2169 A2170 | L2127-L2131 HydrophobicContact CD1-CD1 4.47Å; L2127-L2131 HydrophobicContact CD1-CD2 4.21Å; L2127-L2131 HydrophobicContact CD1-CG 4.1Å; L2127-L2131 HydrophobicContact CD2-CD1 4.13Å; L2127-L2131 HydrophobicContact CG-CD1 3.71Å; L2127-L2131 HydrophobicContact CG-CD2 4.29Å; L2127-L2131 HydrophobicContact CG-CG 3.85Å; L2127-L2131 VanDerWaalsContact O-CG 3.29Å; L2127-L2131 WeakPolarHBondContact O-CG 3.3Å; L2127-L2131 PolarHBondContact O-N 3.04Å; L2127-L2131 VanDerWaalsContact O-N 3.13Å; L2131-D2133 PolarHBondContact O-N 2.93Å; L2131-T2134 PolarHBondContact O-N 3.44Å; L2131-T2134 VanDerWaalsContact O-N 3.16Å; L2131-L2137 HydrophobicContact CD2-CD1 4.48Å; L2131-L2137 HydrophobicContact CD2-CD2 4.09Å; L2131-H2166 HydrophobicContact CD1-CB 3.71Å; L2131-R2169 HydrophobicContact CB-CB 4.49Å; L2131-A2170 HydrophobicContact CD2-CB 4.17Å |
| 2132 | P | 84.6 | Confident | 88.5 | Confident | 64 Ų | 64 | 44.3 Ų | 44.3 | 42% | 0.416 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -59 | -31.1 | 178.8 | -26.3 | 36.3 | 0 | 0 | 0 | 113.8 | V2130 R2169 K2171 | V2130-P2132 VanDerWaalsContact C-CD 3.42Å; P2132-R2169 WeakPolarHBondContact CA-O 3.25Å; P2132-K2171 WeakPolarHBondContact O-CE 3.38Å; P2132-K2171 WeakPolarHBondContact O-CG 3.21Å |
| 2133 | D | 84.6 | Confident | 88.1 | Confident | 95 Ų | 95 | 41.6 Ų | 41.6 | 51% | 0.508 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -94.7 | -13.6 | -179.1 | -62.2 | -37.7 | 0 | 0 | 0 | 112.9 | T2069 V2130 L2131 K2171 | T2069-D2133 WeakPolarHBondContact CB-O 3.42Å; V2130-D2133 PolarHBondContact O-N 3.36Å; V2130-D2133 VanDerWaalsContact O-N 3.14Å; L2131-D2133 PolarHBondContact O-N 2.93Å; D2133-K2171 WeakPolarHBondContact O-CE 3.23Å; D2133-K2171 PolarHBondContact O-NZ 2.73Å |
| 2134 | T | 91.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | trans | -75.3 | 126.1 | -173.2 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | T2071 V2130 L2131 L2137 | T2071-T2134 WeakPolarHBondContact OG1-CG2 3.28Å; T2071-T2134 PolarHBondContact OG1-OG1 3.48Å; V2130-T2134 PolarHBondContact O-N 2.85Å; V2130-T2134 VanDerWaalsContact O-N 3.15Å; V2130-T2134 PolarHBondContact O-OG1 3.46Å; L2131-T2134 PolarHBondContact O-N 3.44Å; L2131-T2134 VanDerWaalsContact O-N 3.16Å; T2134-L2137 HydrophobicContact CG2-CB 4.01Å; T2134-L2137 HydrophobicContact CG2-CD1 4.41Å | ||
| 2135 | D | 90.7 | Very high | 87.4 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -94.9 | -43.4 | 171 | -57.1 | -61 | 0 | 0 | 0 | 111.1 | F2062 L2068 T2069 K2171 S2174 I2175 | F2062-D2135 HydrophobicContact CE1-CB 4.32Å; F2062-D2135 HydrophobicContact CZ-CB 4.14Å; F2062-D2135 VanDerWaalsContact CZ-O 3.25Å; F2062-D2135 WeakPolarHBondContact CZ-O 3.48Å; L2068-D2135 HydrophobicContact CB-CB 4.24Å; L2068-D2135 HydrophobicContact CD2-CB 4.03Å; T2069-D2135 PolarHBondContact N-OD2 2.84Å; T2069-D2135 PolarHBondContact O-N 3.22Å; D2135-K2171 VanDerWaalsContact OD1-CD 3.3Å; D2135-K2171 WeakPolarHBondContact OD1-CD 3.36Å; D2135-K2171 IonicContact OD1-NZ 3.48Å; D2135-K2171 PolarHBondContact OD1-NZ 3.34Å; D2135-K2171 IonicContact OD2-NZ 3.93Å; D2135-K2171 PolarHBondContact OD2-NZ 2.94Å; D2135-S2174 CarbonylContact O-C 3.55Å; D2135-S2174 WeakPolarHBondContact O-CA 3.49Å; D2135-I2175 PolarHBondContact O-N 2.89Å |
| 2136 | V | 95 | Very high | 87.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.7 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | I2058 F2062 L2068 T2069 I2070 T2071 I2175 L2177 | I2058-V2136 HydrophobicContact CD1-CG1 4.06Å; I2058-V2136 HydrophobicContact CD1-CG2 4.23Å; I2058-V2136 HydrophobicContact CG1-CG1 4.05Å; I2058-V2136 HydrophobicContact CG1-CG2 3.99Å; I2058-V2136 HydrophobicContact CG2-CG2 4.03Å; F2062-V2136 HydrophobicContact CD2-CG2 4.3Å; F2062-V2136 HydrophobicContact CE2-CG2 3.7Å; F2062-V2136 HydrophobicContact CZ-CG2 4.41Å; L2068-V2136 HydrophobicContact CD1-CG2 4.22Å; T2069-V2136 PolarHBondContact O-N 3.33Å; I2070-V2136 CarbonylContact C-O 3.47Å; I2070-V2136 WeakPolarHBondContact CA-O 3.34Å; I2070-V2136 HydrophobicContact CB-CB 4.34Å; I2070-V2136 HydrophobicContact CG1-CB 4.01Å; I2070-V2136 HydrophobicContact CG1-CG2 4.17Å; I2070-V2136 HydrophobicContact CG2-CB 4.13Å; I2070-V2136 HydrophobicContact CG2-CG1 4.25Å; T2071-V2136 PolarHBondContact N-O 3.45Å; V2136-I2175 HydrophobicContact CB-CG1 4.42Å; V2136-I2175 HydrophobicContact CG1-CD1 4.39Å; V2136-I2175 HydrophobicContact CG1-CG1 4.07Å; V2136-I2175 HydrophobicContact CG2-CD1 4.3Å; V2136-I2175 HydrophobicContact CG2-CG1 4.19Å; V2136-L2177 HydrophobicContact CG1-CD1 3.63Å; V2136-L2177 HydrophobicContact CG1-CG 4.07Å |
| 2137 | L | 95.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 102.1 | 173.1 | -175.7 | 68.1 | 0 | 0 | 0 | 109.6 | T2071 V2073 L2127 L2131 T2134 M2139 L2162 I2175 V2176 L2177 | T2071-L2137 HydrophobicContact CG2-CD1 4.03Å; T2071-L2137 CarbonylContact O-C 3.52Å; V2073-L2137 HydrophobicContact CG2-CD1 3.52Å; L2127-L2137 HydrophobicContact CD1-CD1 3.79Å; L2131-L2137 HydrophobicContact CD2-CD1 4.48Å; L2131-L2137 HydrophobicContact CD2-CD2 4.09Å; T2134-L2137 HydrophobicContact CG2-CB 4.01Å; T2134-L2137 HydrophobicContact CG2-CD1 4.41Å; L2137-M2139 HydrophobicContact CD1-SD 4.29Å; L2137-M2139 HydrophobicContact CD2-CG 4.06Å; L2137-M2139 HydrophobicContact CD2-SD 3.97Å; L2137-M2139 HydrophobicContact CG-CG 4.01Å; L2137-M2139 HydrophobicContact CG-SD 4.06Å; L2137-M2139 PolarHBondContact O-N 3.48Å; L2137-L2162 HydrophobicContact CD2-CD1 3.5Å; L2137-L2162 HydrophobicContact CD2-CD2 3.65Å; L2137-L2162 HydrophobicContact CD2-CG 4.19Å; L2137-I2175 PolarHBondContact N-O 2.88Å; L2137-V2176 HydrophobicContact CD2-CG2 4.37Å; L2137-V2176 CarbonylContact O-C 3.51Å; L2137-V2176 WeakPolarHBondContact O-CA 3.49Å; L2137-L2177 PolarHBondContact O-N 2.86Å |
| 2138 | Y | 95.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 93.6 | 177.5 | -162.8 | -82.2 | 0 | 0 | 0 | 110.4 | D2054 T2071 M2072 V2073 V2082 L2085 T2140 L2177 P2179 | D2054-Y2138 HydrophobicContact CB-CE2 4.13Å; D2054-Y2138 WeakPolarHBondContact OD2-CE2 3.38Å; D2054-Y2138 VanDerWaalsContact OD2-CZ 3.27Å; D2054-Y2138 PolarHBondContact OD2-OH 2.72Å; T2071-Y2138 PolarHBondContact O-N 3.41Å; M2072-Y2138 WeakPolarHBondContact CA-O 3.13Å; V2073-Y2138 PolarHBondContact N-O 2.98Å; V2082-Y2138 HydrophobicContact CG1-CD1 3.67Å; V2082-Y2138 HydrophobicContact CG1-CE1 3.65Å; L2085-Y2138 HydrophobicContact CD2-CD1 4.41Å; L2085-Y2138 HydrophobicContact CD2-CD2 3.46Å; L2085-Y2138 VanDerWaalsContact CD2-CD2 3.46Å; L2085-Y2138 HydrophobicContact CD2-CE1 4.42Å; L2085-Y2138 HydrophobicContact CD2-CE2 3.48Å; L2085-Y2138 VanDerWaalsContact CD2-CE2 3.48Å; L2085-Y2138 HydrophobicContact CD2-CG 3.94Å; Y2138-T2140 HydrophobicContact CD1-CG2 3.97Å; Y2138-T2140 HydrophobicContact CE1-CG2 3.89Å; Y2138-L2177 HydrophobicContact CD2-CB 3.62Å; Y2138-L2177 HydrophobicContact CD2-CD1 4.07Å; Y2138-L2177 HydrophobicContact CD2-CG 4.5Å; Y2138-L2177 HydrophobicContact CE2-CB 4.13Å; Y2138-L2177 HydrophobicContact CG-CB 4.4Å; Y2138-P2179 HydrophobicContact CE1-CG 4.17Å |
| 2139 | M | 93.5 | Very high | 87 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 144.2 | 179.2 | -67.4 | -68 | -65 | 0 | 0 | 110.6 | V2073 L2137 L2162 V2176 L2177 H2178 P2179 E2185 I2186 | V2073-M2139 HydrophobicContact CB-SD 3.65Å; V2073-M2139 HydrophobicContact CG1-CE 4.27Å; V2073-M2139 HydrophobicContact CG1-SD 3.8Å; V2073-M2139 HydrophobicContact CG2-SD 4.17Å; V2073-M2139 CarbonylContact O-C 3.55Å; L2137-M2139 HydrophobicContact CD1-SD 4.29Å; L2137-M2139 HydrophobicContact CD2-CG 4.06Å; L2137-M2139 HydrophobicContact CD2-SD 3.97Å; L2137-M2139 HydrophobicContact CG-CG 4.01Å; L2137-M2139 HydrophobicContact CG-SD 4.06Å; L2137-M2139 PolarHBondContact O-N 3.48Å; M2139-L2162 HydrophobicContact CE-CB 4Å; M2139-L2162 HydrophobicContact CG-CD2 4.31Å; M2139-L2162 HydrophobicContact SD-CB 4.41Å; M2139-V2176 HydrophobicContact CG-CG1 4.09Å; M2139-L2177 PolarHBondContact N-O 2.87Å; M2139-H2178 VanDerWaalsContact C-CD2 3.43Å; M2139-H2178 PolarHBondContact O-CD2 3.32Å; M2139-P2179 VanDerWaalsContact O-CD 3.25Å; M2139-P2179 WeakPolarHBondContact O-CD 3.4Å; M2139-E2185 HydrophobicContact CE-CB 4.19Å; M2139-E2185 HydrophobicContact CE-CG 4.47Å; M2139-E2185 WeakPolarHBondContact CE-O 3.39Å; M2139-I2186 HydrophobicContact CB-CD1 3.84Å; M2139-I2186 HydrophobicContact CB-CG1 4.16Å; M2139-I2186 HydrophobicContact CE-CG1 4.23Å; M2139-I2186 HydrophobicContact CG-CD1 4.13Å; M2139-I2186 HydrophobicContact CG-CG1 4.12Å |
| 2140 | T | 91.3 | Very high | 87 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | trans | -132.2 | 145.3 | 173.8 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | V2073 G2074 D2075 V2082 Y2138 | V2073-T2140 PolarHBondContact O-N 3.46Å; V2073-T2140 PolarHBondContact O-OG1 3.35Å; G2074-T2140 WeakPolarHBondContact CA-OG1 3.47Å; D2075-T2140 PolarHBondContact N-OG1 2.92Å; V2082-T2140 HydrophobicContact CG1-CG2 3.53Å; Y2138-T2140 HydrophobicContact CD1-CG2 3.97Å; Y2138-T2140 HydrophobicContact CE1-CG2 3.89Å | ||
| 2141 | R | 89.3 | Confident | 86.6 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 23% | 0.226 | 25% | 0.254 | C | S | . | . | trans | -70.6 | 148.2 | 172 | 80.7 | -179.2 | -167.6 | 149.9 | 1.8 | 111.3 | Q2143 E2145 H2178 P2181 E2185 | R2141-Q2143 HydrophobicContact CG-CG 4.32Å; R2141-Q2143 PolarHBondContact O-N 3.24Å; R2141-E2145 IonicContact CZ-OE1 2.64Å; R2141-E2145 IonicContact CZ-OE2 3.12Å; R2141-E2145 IonicContact NH2-OE1 2.9Å; R2141-E2145 PolarHBondContact NH2-OE1 3.01Å; R2141-E2145 IonicContact NH2-OE2 3.67Å; R2141-E2145 PolarHBondContact NH2-OE2 3.13Å; R2141-E2145 VanDerWaalsContact NH2-OE2 3.12Å; R2141-H2178 PolarHBondContact N-NE2 3.32Å; R2141-P2181 WeakPolarHBondContact CD-O 2.99Å; R2141-E2185 WeakPolarHBondContact CB-OE1 3.37Å | ||
| 2142 | I | 87.4 | Confident | 86.4 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.087 | 27% | 0.271 | C | S | . | . | trans | -71 | 116.2 | 164.2 | -53.4 | -54.7 | 0 | 0 | 0 | 108.6 | D2075 L2104 R2144 F2147 Y2153 C2156 | D2075-I2142 HydrophobicContact CB-CD1 4.02Å; L2104-I2142 HydrophobicContact CD1-CD1 3.73Å; L2104-I2142 HydrophobicContact CD1-CG2 4.15Å; I2142-R2144 PolarHBondContact O-N 2.96Å; I2142-F2147 HydrophobicContact CG2-CE2 3.55Å; I2142-F2147 HydrophobicContact CG2-CZ 3.74Å; I2142-Y2153 HydrophobicContact CB-CE2 4.26Å; I2142-Y2153 HydrophobicContact CG2-CD2 3.79Å; I2142-Y2153 HydrophobicContact CG2-CE2 3.86Å; I2142-C2156 HydrophobicContact CG2-CB 4.38Å | ||
| 2143 | Q | 85 | Confident | 86.3 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | trans | -80 | 87.3 | -174.5 | -66 | -175.2 | 3.6 | 0 | 0 | 110.7 | D2075 N2078 R2141 E2145 R2146 F2147 | D2075-Q2143 PolarHBondContact OD2-N 2.79Å; N2078-Q2143 PolarHBondContact O-NE2 3.48Å; N2078-Q2143 PolarHBondContact O-OE1 3.37Å; R2141-Q2143 HydrophobicContact CG-CG 4.32Å; R2141-Q2143 PolarHBondContact O-N 3.24Å; Q2143-E2145 PolarHBondContact O-N 3.03Å; Q2143-R2146 HydrophobicContact CB-CB 4.19Å; Q2143-R2146 HydrophobicContact CB-CG 3.78Å; Q2143-R2146 PolarHBondContact O-N 3.46Å; Q2143-F2147 WeakPolarHBondContact O-CD2 3.41Å | ||
| 2144 | R | 81.7 | Confident | 86.1 | Confident | 142 Ų | 142 | 55.1 Ų | 55.1 | 54% | 0.536 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -47 | -38.6 | 178.8 | -172.7 | 177.8 | 176.8 | -178.7 | 2 | 112.9 | I2142 R2146 F2147 Y2153 | I2142-R2144 PolarHBondContact O-N 2.96Å; R2144-R2146 PolarHBondContact O-N 3.25Å; R2144-F2147 PolarHBondContact O-N 3.1Å; R2144-Y2153 HydrophobicContact CB-CD2 3.71Å; R2144-Y2153 HydrophobicContact CB-CE1 4.43Å; R2144-Y2153 HydrophobicContact CB-CE2 3.47Å; R2144-Y2153 VanDerWaalsContact CB-CE2 3.47Å; R2144-Y2153 HydrophobicContact CB-CG 4.28Å; R2144-Y2153 HydrophobicContact CG-CD1 3.99Å; R2144-Y2153 HydrophobicContact CG-CD2 3.87Å; R2144-Y2153 HydrophobicContact CG-CE1 4.04Å; R2144-Y2153 HydrophobicContact CG-CE2 3.91Å; R2144-Y2153 HydrophobicContact CG-CG 3.9Å |
| 2145 | E | 80.3 | Confident | 85.6 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -67.7 | -7.1 | -179.9 | 69.4 | -81.9 | -173.6 | 0 | 0 | 115.5 | R2141 Q2143 | R2141-E2145 IonicContact CZ-OE1 2.64Å; R2141-E2145 IonicContact CZ-OE2 3.12Å; R2141-E2145 IonicContact NH2-OE1 2.9Å; R2141-E2145 PolarHBondContact NH2-OE1 3.01Å; R2141-E2145 IonicContact NH2-OE2 3.67Å; R2141-E2145 PolarHBondContact NH2-OE2 3.13Å; R2141-E2145 VanDerWaalsContact NH2-OE2 3.12Å; Q2143-E2145 PolarHBondContact O-N 3.03Å |
| 2146 | R | 82.4 | Confident | 85 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 28% | 0.275 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -105.6 | 3.3 | 179.4 | -60.4 | -63.4 | -175.9 | -178.2 | -5.5 | 113.8 | E1966 N2078 Q2143 R2144 | E1966-R2146 IonicContact OE1-NH2 2.79Å; N2078-R2146 HydrophobicContact CB-CB 4.13Å; N2078-R2146 HydrophobicContact CB-CG 3.99Å; Q2143-R2146 HydrophobicContact CB-CB 4.19Å; Q2143-R2146 HydrophobicContact CB-CG 3.78Å; Q2143-R2146 PolarHBondContact O-N 3.46Å; R2144-R2146 PolarHBondContact O-N 3.25Å |
| 2147 | F | 81.4 | Confident | 84.2 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 17% | 0.171 | 30% | 0.299 | C | S | . | . | trans | -93.6 | 136.4 | 174.1 | -71.9 | -101.7 | 0 | 0 | 0 | 110.4 | L2104 I2142 Q2143 R2144 N2149 D2152 Y2153 C2156 | L2104-F2147 HydrophobicContact CD1-CZ 3.91Å; L2104-F2147 HydrophobicContact CD2-CE1 4.3Å; L2104-F2147 HydrophobicContact CD2-CE2 4.46Å; L2104-F2147 HydrophobicContact CD2-CZ 3.78Å; L2104-F2147 HydrophobicContact CG-CZ 4.33Å; I2142-F2147 HydrophobicContact CG2-CE2 3.55Å; I2142-F2147 HydrophobicContact CG2-CZ 3.74Å; Q2143-F2147 WeakPolarHBondContact O-CD2 3.41Å; R2144-F2147 PolarHBondContact O-N 3.1Å; F2147-N2149 VanDerWaalsContact C-N 3.29Å; F2147-N2149 WeakPolarHBondContact CB-O 3.41Å; F2147-N2149 PolarHBondContact O-N 2.59Å; F2147-D2152 HydrophobicContact CD1-CB 3.88Å; F2147-D2152 HydrophobicContact CE1-CB 4.3Å; F2147-D2152 WeakPolarHBondContact CE1-O 3.42Å; F2147-Y2153 VanDerWaalsContact CD1-N 3.34Å; F2147-Y2153 HydrophobicContact CD2-CD2 4.04Å; F2147-Y2153 HydrophobicContact CD2-CG 4.49Å; F2147-Y2153 AromaticContact CE2-CD2 3.98Å; F2147-Y2153 HydrophobicContact CE2-CD2 3.98Å; F2147-C2156 HydrophobicContact CZ-CB 4.31Å | ||
| 2148 | D | 79.4 | Confident | 83.1 | Confident | 175 Ų | 175 | 65.3 Ų | 65.3 | 94% | 0.936 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -68.9 | -29.1 | 176.3 | -63.2 | -41.5 | 0 | 0 | 0 | 112.2 | ||
| 2149 | N | 82 | Confident | 82 | Confident | 67 Ų | 67 | 72 Ų | 72 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -138.3 | 155.7 | 178.6 | 68.9 | 61.7 | 0 | 0 | 0 | 111.3 | F2147 E2151 D2152 | F2147-N2149 VanDerWaalsContact C-N 3.29Å; F2147-N2149 WeakPolarHBondContact CB-O 3.41Å; F2147-N2149 PolarHBondContact O-N 2.59Å; N2149-E2151 PolarHBondContact OD1-N 3.28Å; N2149-D2152 PolarHBondContact ND2-OD2 3.37Å; N2149-D2152 WeakPolarHBondContact OD1-CB 3.5Å; N2149-D2152 VanDerWaalsContact OD1-CG 3.27Å; N2149-D2152 PolarHBondContact OD1-N 3.46Å; N2149-D2152 PolarHBondContact OD1-OD2 3.16Å |
| 2150 | V | 81.7 | Confident | 81.6 | Confident | 72 Ų | 72 | 73.3 Ų | 73.3 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74.2 | -29.5 | -174.9 | 179.9 | 0 | 0 | 0 | 0 | 112.6 | D2152 Y2153 E2154 | V2150-D2152 PolarHBondContact O-N 2.81Å; V2150-Y2153 WeakPolarHBondContact O-CB 3.48Å; V2150-Y2153 PolarHBondContact O-N 3.47Å; V2150-E2154 HydrophobicContact CG1-CG 4.35Å; V2150-E2154 PolarHBondContact O-N 3.47Å |
| 2151 | E | 80.8 | Confident | 81.4 | Confident | 135 Ų | 135 | 75 Ų | 75 | 63% | 0.631 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | -177.9 | -67.4 | 172.8 | -175.4 | 0 | 0 | 112.3 | N2149 Y2153 E2154 K2155 | N2149-E2151 PolarHBondContact OD1-N 3.28Å; E2151-Y2153 VanDerWaalsContact C-N 3.29Å; E2151-Y2153 PolarHBondContact O-N 3.39Å; E2151-E2154 PolarHBondContact O-N 3.03Å; E2151-K2155 WeakPolarHBondContact O-CG 3.37Å; E2151-K2155 PolarHBondContact O-N 3.19Å |
| 2152 | D | 80.7 | Confident | 81.4 | Confident | 65 Ų | 65 | 72.1 Ų | 72.1 | 35% | 0.348 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.6 | -29.6 | 177.9 | -70.3 | -27.5 | 0 | 0 | 0 | 112.2 | F2147 N2149 V2150 K2155 C2156 | F2147-D2152 HydrophobicContact CD1-CB 3.88Å; F2147-D2152 HydrophobicContact CE1-CB 4.3Å; F2147-D2152 WeakPolarHBondContact CE1-O 3.42Å; N2149-D2152 PolarHBondContact ND2-OD2 3.37Å; N2149-D2152 WeakPolarHBondContact OD1-CB 3.5Å; N2149-D2152 VanDerWaalsContact OD1-CG 3.27Å; N2149-D2152 PolarHBondContact OD1-N 3.46Å; N2149-D2152 PolarHBondContact OD1-OD2 3.16Å; V2150-D2152 PolarHBondContact O-N 2.81Å; D2152-K2155 IonicContact OD1-NZ 3.54Å; D2152-K2155 PolarHBondContact OD1-NZ 2.92Å; D2152-C2156 PolarHBondContact O-SG 3.32Å |
| 2153 | Y | 81.7 | Confident | 81.2 | Confident | 31 Ų | 31 | 73.1 Ų | 73.1 | 12% | 0.122 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.8 | -47.8 | 169.8 | 165.5 | -98.7 | 0 | 0 | 0 | 111.3 | I2142 R2144 F2147 V2150 E2151 K2155 C2156 C2157 | I2142-Y2153 HydrophobicContact CB-CE2 4.26Å; I2142-Y2153 HydrophobicContact CG2-CD2 3.79Å; I2142-Y2153 HydrophobicContact CG2-CE2 3.86Å; R2144-Y2153 HydrophobicContact CB-CD2 3.71Å; R2144-Y2153 HydrophobicContact CB-CE1 4.43Å; R2144-Y2153 HydrophobicContact CB-CE2 3.47Å; R2144-Y2153 VanDerWaalsContact CB-CE2 3.47Å; R2144-Y2153 HydrophobicContact CB-CG 4.28Å; R2144-Y2153 HydrophobicContact CG-CD1 3.99Å; R2144-Y2153 HydrophobicContact CG-CD2 3.87Å; R2144-Y2153 HydrophobicContact CG-CE1 4.04Å; R2144-Y2153 HydrophobicContact CG-CE2 3.91Å; R2144-Y2153 HydrophobicContact CG-CG 3.9Å; F2147-Y2153 VanDerWaalsContact CD1-N 3.34Å; F2147-Y2153 HydrophobicContact CD2-CD2 4.04Å; F2147-Y2153 HydrophobicContact CD2-CG 4.49Å; F2147-Y2153 AromaticContact CE2-CD2 3.98Å; F2147-Y2153 HydrophobicContact CE2-CD2 3.98Å; V2150-Y2153 WeakPolarHBondContact O-CB 3.48Å; V2150-Y2153 PolarHBondContact O-N 3.47Å; E2151-Y2153 VanDerWaalsContact C-N 3.29Å; E2151-Y2153 PolarHBondContact O-N 3.39Å; Y2153-K2155 VanDerWaalsContact C-N 3.32Å; Y2153-K2155 PolarHBondContact O-N 2.71Å; Y2153-C2156 PolarHBondContact O-N 3.24Å; Y2153-C2157 HydrophobicContact CE1-CB 4.29Å; Y2153-C2157 HydrophobicContact CE2-CB 4.43Å; Y2153-C2157 WeakPolarHBondContact O-CB 3.46Å; Y2153-C2157 PolarHBondContact O-N 3.02Å |
| 2154 | E | 80.6 | Confident | 80.9 | Confident | 126 Ų | 126 | 72.5 Ų | 72.5 | 59% | 0.589 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62 | -37.7 | 179.6 | -73.3 | 179.7 | 176.3 | 0 | 0 | 112.4 | V2150 E2151 C2156 C2157 | V2150-E2154 HydrophobicContact CG1-CG 4.35Å; V2150-E2154 PolarHBondContact O-N 3.47Å; E2151-E2154 PolarHBondContact O-N 3.03Å; E2154-C2156 PolarHBondContact O-N 3.36Å; E2154-C2157 PolarHBondContact O-N 3.21Å |
| 2155 | K | 80.7 | Confident | 80.7 | Confident | 131 Ų | 131 | 70.2 Ų | 70.2 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.2 | 173.8 | -72.8 | 174.3 | -162.4 | 153.6 | 0 | 114.1 | E2151 D2152 Y2153 H2159 | E2151-K2155 WeakPolarHBondContact O-CG 3.37Å; E2151-K2155 PolarHBondContact O-N 3.19Å; D2152-K2155 IonicContact OD1-NZ 3.54Å; D2152-K2155 PolarHBondContact OD1-NZ 2.92Å; Y2153-K2155 VanDerWaalsContact C-N 3.32Å; Y2153-K2155 PolarHBondContact O-N 2.71Å; K2155-H2159 PolarHBondContact O-CD2 2.99Å; K2155-H2159 VanDerWaalsContact O-CD2 3.23Å; K2155-H2159 PolarHBondContact O-NE2 3.36Å |
| 2156 | C | 79.4 | Confident | 80.9 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 5% | 0.054 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -24.4 | -178.1 | -60 | 0 | 0 | 0 | 0 | 112.3 | P2101 S2103 L2104 I2142 F2147 D2152 Y2153 E2154 | P2101-C2156 HydrophobicContact CB-CB 4.43Å; P2101-C2156 HydrophobicContact CG-CB 4.24Å; S2103-C2156 PolarHBondContact OG-SG 3.07Å; L2104-C2156 HydrophobicContact CD1-CB 3.98Å; I2142-C2156 HydrophobicContact CG2-CB 4.38Å; F2147-C2156 HydrophobicContact CZ-CB 4.31Å; D2152-C2156 PolarHBondContact O-SG 3.32Å; Y2153-C2156 PolarHBondContact O-N 3.24Å; E2154-C2156 PolarHBondContact O-N 3.36Å |
| 2157 | C | 77.1 | Confident | 80.9 | Confident | 46 Ų | 46 | 63.3 Ų | 63.3 | 31% | 0.311 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 135.9 | -174 | -171 | 0 | 0 | 0 | 0 | 111.8 | Y2153 E2154 | Y2153-C2157 HydrophobicContact CE1-CB 4.29Å; Y2153-C2157 HydrophobicContact CE2-CB 4.43Å; Y2153-C2157 WeakPolarHBondContact O-CB 3.46Å; Y2153-C2157 PolarHBondContact O-N 3.02Å; E2154-C2157 PolarHBondContact O-N 3.21Å |
| 2158 | G | 72.6 | Confident | 80.7 | Confident | 53 Ų | 53 | 65 Ų | 65 | 55% | 0.546 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -6.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 2159 | H | 73.4 | Confident | 80.7 | Confident | 141 Ų | 141 | 62.9 Ų | 62.9 | 65% | 0.653 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -80.6 | -30.4 | -179.7 | -70.5 | -61.5 | 0 | 0 | 0 | 114.8 | K2155 | K2155-H2159 PolarHBondContact O-CD2 2.99Å; K2155-H2159 VanDerWaalsContact O-CD2 3.23Å; K2155-H2159 PolarHBondContact O-NE2 3.36Å |
| 2160 | L | 84.9 | Confident | 80.7 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -116 | 65.2 | -176.3 | -65.8 | 172.7 | 0 | 0 | 0 | 110.4 | V2073 V2099 P2101 | V2073-L2160 HydrophobicContact CG1-CB 4.21Å; V2073-L2160 HydrophobicContact CG1-CD1 4.01Å; V2099-L2160 HydrophobicContact CG1-CD1 4.22Å; V2099-L2160 HydrophobicContact CG1-CD2 3.76Å; P2101-L2160 HydrophobicContact CG-CD1 4.44Å |
| 2161 | V | 87 | Confident | 80.5 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 26% | 0.255 | 30% | 0.303 | S | S | . | . | trans | -96 | 119.8 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | T2163 H2166 N2184 E2185 | V2161-T2163 HydrophobicContact CG1-CG2 4.05Å; V2161-H2166 PolarHBondContact O-CE1 2.89Å; V2161-H2166 VanDerWaalsContact O-CE1 3.31Å; V2161-H2166 PolarHBondContact O-ND1 3.34Å; V2161-N2184 VanDerWaalsContact CG1-O 3.26Å; V2161-N2184 WeakPolarHBondContact CG1-O 3.24Å; V2161-N2184 WeakPolarHBondContact CG2-O 3.41Å; V2161-E2185 CarbonylContact C-O 3.41Å; V2161-E2185 WeakPolarHBondContact CA-O 3.42Å | ||
| 2162 | L | 88.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 126.5 | 171.8 | -169.2 | 69.7 | 0 | 0 | 0 | 109.7 | L2127 L2137 M2139 H2166 M2167 V2176 E2185 I2186 S2187 I2190 | L2127-L2162 HydrophobicContact CD2-CD1 3.73Å; L2137-L2162 HydrophobicContact CD2-CD1 3.5Å; L2137-L2162 HydrophobicContact CD2-CD2 3.65Å; L2137-L2162 HydrophobicContact CD2-CG 4.19Å; M2139-L2162 HydrophobicContact CE-CB 4Å; M2139-L2162 HydrophobicContact CG-CD2 4.31Å; M2139-L2162 HydrophobicContact SD-CB 4.41Å; L2162-H2166 HydrophobicContact CD1-CB 3.92Å; L2162-M2167 HydrophobicContact CD1-CG 4.46Å; L2162-M2167 HydrophobicContact CD1-SD 3.88Å; L2162-M2167 HydrophobicContact CD2-SD 3.92Å; L2162-M2167 HydrophobicContact CG-CG 4.43Å; L2162-M2167 HydrophobicContact CG-SD 4.13Å; L2162-V2176 HydrophobicContact CD2-CB 4.41Å; L2162-V2176 HydrophobicContact CD2-CG1 3.65Å; L2162-V2176 HydrophobicContact CD2-CG2 3.84Å; L2162-E2185 PolarHBondContact N-O 3.06Å; L2162-I2186 HydrophobicContact CB-CG1 4.42Å; L2162-S2187 WeakPolarHBondContact O-CB 3.33Å; L2162-S2187 PolarHBondContact O-N 2.84Å; L2162-I2190 VanDerWaalsContact C-CD1 3.48Å; L2162-I2190 HydrophobicContact CB-CD1 3.91Å; L2162-I2190 HydrophobicContact CD2-CD1 3.65Å; L2162-I2190 HydrophobicContact CG-CD1 3.42Å; L2162-I2190 VanDerWaalsContact CG-CD1 3.42Å; L2162-I2190 VanDerWaalsContact O-CD1 3.26Å; L2162-I2190 WeakPolarHBondContact O-CD1 3.44Å |
| 2163 | T | 84.3 | Confident | 79.4 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | trans | -129.1 | 164.8 | 179.8 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | V2161 E2165 H2166 M2167 | V2161-T2163 HydrophobicContact CG1-CG2 4.05Å; T2163-E2165 PolarHBondContact O-N 3.21Å; T2163-H2166 PolarHBondContact N-ND1 3.26Å; T2163-H2166 VanDerWaalsContact O-CB 3.31Å; T2163-H2166 WeakPolarHBondContact O-CB 3.29Å; T2163-H2166 PolarHBondContact O-N 3.03Å; T2163-H2166 PolarHBondContact OG1-ND1 2.89Å; T2163-M2167 PolarHBondContact O-N 3.41Å | ||
| 2164 | P | 77.2 | Confident | 79.6 | Confident | 12 Ų | 12 | 60 Ų | 60 | 8% | 0.078 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.3 | -35.7 | 176.2 | -28.8 | 36.9 | 0 | 0 | 0 | 114.2 | H2166 M2167 M2168 E2189 I2190 | P2164-H2166 VanDerWaalsContact C-N 3.3Å; P2164-H2166 PolarHBondContact O-N 2.99Å; P2164-M2167 PolarHBondContact O-N 2.78Å; P2164-M2167 VanDerWaalsContact O-N 3.07Å; P2164-M2168 PolarHBondContact O-N 3.3Å; P2164-M2168 VanDerWaalsContact O-N 3.09Å; P2164-E2189 HydrophobicContact CG-CB 3.79Å; P2164-E2189 WeakPolarHBondContact CG-OE2 3.48Å; P2164-I2190 HydrophobicContact CG-CG1 4.44Å |
| 2165 | E | 78.6 | Confident | 80.2 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 174.9 | -171.7 | -163.2 | 157 | 0 | 0 | 111.9 | K2128 T2163 M2167 M2168 | K2128-E2165 IonicContact NZ-OE1 3.61Å; T2163-E2165 PolarHBondContact O-N 3.21Å; E2165-M2167 VanDerWaalsContact C-N 3.35Å; E2165-M2168 PolarHBondContact O-N 3.4Å |
| 2166 | H | 84.1 | Confident | 80.8 | Confident | 26 Ų | 26 | 48 Ų | 48 | 12% | 0.12 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.5 | -68.6 | 100.8 | 0 | 0 | 0 | 110.8 | K2128 L2131 V2161 L2162 T2163 P2164 M2168 R2169 A2170 | K2128-H2166 WeakPolarHBondContact CE-NE2 3.37Å; L2131-H2166 HydrophobicContact CD1-CB 3.71Å; V2161-H2166 PolarHBondContact O-CE1 2.89Å; V2161-H2166 VanDerWaalsContact O-CE1 3.31Å; V2161-H2166 PolarHBondContact O-ND1 3.34Å; L2162-H2166 HydrophobicContact CD1-CB 3.92Å; T2163-H2166 PolarHBondContact N-ND1 3.26Å; T2163-H2166 VanDerWaalsContact O-CB 3.31Å; T2163-H2166 WeakPolarHBondContact O-CB 3.29Å; T2163-H2166 PolarHBondContact O-N 3.03Å; T2163-H2166 PolarHBondContact OG1-ND1 2.89Å; P2164-H2166 VanDerWaalsContact C-N 3.3Å; P2164-H2166 PolarHBondContact O-N 2.99Å; H2166-M2168 PolarHBondContact O-N 3.03Å; H2166-R2169 PolarHBondContact O-N 3.27Å; H2166-A2170 PolarHBondContact O-N 2.79Å |
| 2167 | M | 83.2 | Confident | 81.6 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -23.4 | -177.9 | -67.2 | -56.2 | -59.9 | 0 | 0 | 113.1 | L2162 T2163 P2164 E2165 R2169 A2170 V2176 I2190 R2195 | L2162-M2167 HydrophobicContact CD1-CG 4.46Å; L2162-M2167 HydrophobicContact CD1-SD 3.88Å; L2162-M2167 HydrophobicContact CD2-SD 3.92Å; L2162-M2167 HydrophobicContact CG-CG 4.43Å; L2162-M2167 HydrophobicContact CG-SD 4.13Å; T2163-M2167 PolarHBondContact O-N 3.41Å; P2164-M2167 PolarHBondContact O-N 2.78Å; P2164-M2167 VanDerWaalsContact O-N 3.07Å; E2165-M2167 VanDerWaalsContact C-N 3.35Å; M2167-R2169 VanDerWaalsContact C-N 3.28Å; M2167-R2169 PolarHBondContact O-N 2.78Å; M2167-A2170 HydrophobicContact CE-CB 4.15Å; M2167-A2170 WeakPolarHBondContact O-CB 3.42Å; M2167-A2170 PolarHBondContact O-N 2.86Å; M2167-A2170 HydrophobicContact SD-CB 4.4Å; M2167-V2176 HydrophobicContact CE-CG2 3.61Å; M2167-V2176 HydrophobicContact SD-CG2 3.73Å; M2167-I2190 HydrophobicContact CG-CD1 4.14Å; M2167-R2195 HydrophobicContact CE-CB 3.96Å; M2167-R2195 HydrophobicContact CE-CG 4.5Å; M2167-R2195 PolarHBondContact O-NH1 3.32Å; M2167-R2195 PolarHBondContact O-NH2 2.87Å |
| 2168 | M | 75.5 | Confident | 82.4 | Confident | 75 Ų | 75 | 45.6 Ų | 45.6 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66 | -28.1 | 170.8 | -69.3 | -147.3 | -48.3 | 0 | 0 | 114.3 | K895 S896 P2164 E2165 H2166 A2170 | K895-M2168 WeakPolarHBondContact CA-SD 3.34Å; K895-M2168 HydrophobicContact CB-CE 3.3Å; K895-M2168 HydrophobicContact CB-SD 4.16Å; K895-M2168 HydrophobicContact CD-CE 4.46Å; K895-M2168 HydrophobicContact CG-CE 3.75Å; S896-M2168 PolarHBondContact N-SD 3Å; P2164-M2168 PolarHBondContact O-N 3.3Å; P2164-M2168 VanDerWaalsContact O-N 3.09Å; E2165-M2168 PolarHBondContact O-N 3.4Å; H2166-M2168 PolarHBondContact O-N 3.03Å; M2168-A2170 VanDerWaalsContact C-N 3.33Å |
| 2169 | R | 80.2 | Confident | 83.3 | Confident | 130 Ų | 130 | 43.9 Ų | 43.9 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -83.2 | -16.2 | 174.8 | -63.9 | -174.1 | 176.3 | -159.3 | -2 | 112.4 | L2131 P2132 H2166 M2167 | L2131-R2169 HydrophobicContact CB-CB 4.49Å; P2132-R2169 WeakPolarHBondContact CA-O 3.25Å; H2166-R2169 PolarHBondContact O-N 3.27Å; M2167-R2169 VanDerWaalsContact C-N 3.28Å; M2167-R2169 PolarHBondContact O-N 2.78Å |
| 2170 | A | 83.1 | Confident | 84 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -74.5 | 154.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L2131 H2166 M2167 M2168 S2174 | L2131-A2170 HydrophobicContact CD2-CB 4.17Å; H2166-A2170 PolarHBondContact O-N 2.79Å; M2167-A2170 HydrophobicContact CE-CB 4.15Å; M2167-A2170 WeakPolarHBondContact O-CB 3.42Å; M2167-A2170 PolarHBondContact O-N 2.86Å; M2167-A2170 HydrophobicContact SD-CB 4.4Å; M2168-A2170 VanDerWaalsContact C-N 3.33Å; A2170-S2174 WeakPolarHBondContact CB-OG 3.33Å |
| 2171 | K | 76.3 | Confident | 84.2 | Confident | 75 Ų | 75 | 39.7 Ų | 39.7 | 33% | 0.326 | 19% | 0.189 | S | C | . | . | trans | -56.5 | 144.3 | 171.5 | -61 | 178.3 | -174.9 | 168.4 | 0 | 109.8 | P2132 D2133 D2135 R2173 S2174 R2195 | P2132-K2171 WeakPolarHBondContact O-CE 3.38Å; P2132-K2171 WeakPolarHBondContact O-CG 3.21Å; D2133-K2171 WeakPolarHBondContact O-CE 3.23Å; D2133-K2171 PolarHBondContact O-NZ 2.73Å; D2135-K2171 VanDerWaalsContact OD1-CD 3.3Å; D2135-K2171 WeakPolarHBondContact OD1-CD 3.36Å; D2135-K2171 IonicContact OD1-NZ 3.48Å; D2135-K2171 PolarHBondContact OD1-NZ 3.34Å; D2135-K2171 IonicContact OD2-NZ 3.93Å; D2135-K2171 PolarHBondContact OD2-NZ 2.94Å; K2171-R2173 PolarHBondContact O-N 2.84Å; K2171-R2173 VanDerWaalsContact O-N 3.15Å; K2171-S2174 WeakPolarHBondContact O-CB 3.39Å; K2171-S2174 PolarHBondContact O-N 2.8Å; K2171-S2174 PolarHBondContact O-OG 2.81Å; K2171-R2195 PolarHBondContact O-NH1 2.86Å | ||
| 2172 | K | 66.7 | Low | 84.1 | Confident | 142 Ų | 142 | 40 Ų | 40 | 62% | 0.617 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -29.8 | 176.8 | -167.6 | 178.8 | 176.7 | -173.1 | 0 | 112.8 | E1134 R2195 | E1134-K2172 VanDerWaalsContact OE1-CD 3.24Å; E1134-K2172 WeakPolarHBondContact OE1-CD 3.09Å; E1134-K2172 IonicContact OE1-NZ 2.73Å; E1134-K2172 PolarHBondContact OE1-NZ 3.33Å; E1134-K2172 WeakPolarHBondContact OE2-CD 3.36Å; E1134-K2172 IonicContact OE2-NZ 3.5Å; E1134-K2172 PolarHBondContact OE2-NZ 3.08Å; K2172-R2195 WeakPolarHBondContact O-CD 3.32Å |
| 2173 | R | 71.4 | Confident | 83.9 | Confident | 80 Ų | 80 | 43.8 Ų | 43.8 | 30% | 0.302 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4 | 174.6 | -80.7 | -176 | 164 | -129.3 | -26.3 | 115.3 | Y1105 F2062 K2171 I2175 | Y1105-R2173 VanDerWaalsContact CE2-CZ 3.42Å; Y1105-R2173 PolarHBondContact OH-NH2 2.97Å; F2062-R2173 HydrophobicContact CE1-CB 4.34Å; F2062-R2173 WeakPolarHBondContact CE1-O 3.19Å; F2062-R2173 WeakPolarHBondContact CZ-O 3.26Å; K2171-R2173 PolarHBondContact O-N 2.84Å; K2171-R2173 VanDerWaalsContact O-N 3.15Å; R2173-I2175 PolarHBondContact O-N 2.9Å |
| 2174 | S | 87.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | trans | -59.7 | 140.2 | -179.7 | 68.8 | 0 | 0 | 0 | 0 | 109.3 | D2135 A2170 K2171 R2195 | D2135-S2174 CarbonylContact O-C 3.55Å; D2135-S2174 WeakPolarHBondContact O-CA 3.49Å; A2170-S2174 WeakPolarHBondContact CB-OG 3.33Å; K2171-S2174 WeakPolarHBondContact O-CB 3.39Å; K2171-S2174 PolarHBondContact O-N 2.8Å; K2171-S2174 PolarHBondContact O-OG 2.81Å; S2174-R2195 WeakPolarHBondContact O-CB 3.28Å; S2174-R2195 VanDerWaalsContact O-CD 3.29Å; S2174-R2195 WeakPolarHBondContact O-CD 3.33Å; S2174-R2195 WeakPolarHBondContact O-CG 3.43Å | ||
| 2175 | I | 91.9 | Very high | 84.4 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 145.7 | 171.9 | 70.1 | -175.8 | 0 | 0 | 0 | 110.8 | I2058 E2061 F2062 D2135 V2136 L2137 R2173 L2177 R2195 A2197 | I2058-I2175 HydrophobicContact CG1-CD1 4.39Å; E2061-I2175 HydrophobicContact CB-CD1 3.85Å; E2061-I2175 HydrophobicContact CB-CG2 3.95Å; E2061-I2175 HydrophobicContact CG-CD1 3.84Å; E2061-I2175 HydrophobicContact CG-CG2 4.14Å; F2062-I2175 HydrophobicContact CD2-CD1 4.13Å; F2062-I2175 HydrophobicContact CE2-CB 4.38Å; F2062-I2175 HydrophobicContact CE2-CD1 3.65Å; F2062-I2175 HydrophobicContact CE2-CG1 3.75Å; F2062-I2175 HydrophobicContact CE2-CG2 3.97Å; F2062-I2175 HydrophobicContact CZ-CG1 4.48Å; F2062-I2175 HydrophobicContact CZ-CG2 4.27Å; D2135-I2175 PolarHBondContact O-N 2.89Å; V2136-I2175 HydrophobicContact CB-CG1 4.42Å; V2136-I2175 HydrophobicContact CG1-CD1 4.39Å; V2136-I2175 HydrophobicContact CG1-CG1 4.07Å; V2136-I2175 HydrophobicContact CG2-CD1 4.3Å; V2136-I2175 HydrophobicContact CG2-CG1 4.19Å; L2137-I2175 PolarHBondContact N-O 2.88Å; R2173-I2175 PolarHBondContact O-N 2.9Å; I2175-L2177 HydrophobicContact CD1-CD1 4.21Å; I2175-L2177 HydrophobicContact CD1-CD2 4.03Å; I2175-L2177 HydrophobicContact CD1-CG 4.09Å; I2175-L2177 HydrophobicContact CG1-CD2 4.38Å; I2175-L2177 HydrophobicContact CG1-CG 4.16Å; I2175-R2195 CarbonylContact C-O 3.57Å; I2175-R2195 WeakPolarHBondContact CA-O 3.32Å; I2175-A2197 HydrophobicContact CB-CB 4.02Å; I2175-A2197 HydrophobicContact CG2-CB 4.5Å |
| 2176 | V | 93.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.1 | 172.3 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | L2137 M2139 L2162 M2167 I2186 R2195 A2197 Y2198 | L2137-V2176 HydrophobicContact CD2-CG2 4.37Å; L2137-V2176 CarbonylContact O-C 3.51Å; L2137-V2176 WeakPolarHBondContact O-CA 3.49Å; M2139-V2176 HydrophobicContact CG-CG1 4.09Å; L2162-V2176 HydrophobicContact CD2-CB 4.41Å; L2162-V2176 HydrophobicContact CD2-CG1 3.65Å; L2162-V2176 HydrophobicContact CD2-CG2 3.84Å; M2167-V2176 HydrophobicContact CE-CG2 3.61Å; M2167-V2176 HydrophobicContact SD-CG2 3.73Å; V2176-I2186 HydrophobicContact CG1-CD1 4.29Å; V2176-R2195 PolarHBondContact N-O 2.66Å; V2176-A2197 PolarHBondContact O-N 2.93Å; V2176-Y2198 HydrophobicContact CB-CD1 4.44Å; V2176-Y2198 HydrophobicContact CG1-CD1 4.19Å; V2176-Y2198 HydrophobicContact CG1-CE1 4.27Å; V2176-Y2198 PolarHBondContact O-N 2.81Å |
| 2177 | L | 95.9 | Very high | 85 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 146.8 | 173.1 | -61.9 | -177.5 | 0 | 0 | 0 | 109.7 | T2057 I2058 V2136 L2137 Y2138 M2139 I2175 A2197 Q2201 | T2057-L2177 HydrophobicContact CG2-CD2 3.63Å; I2058-L2177 HydrophobicContact CD1-CD1 4.21Å; I2058-L2177 HydrophobicContact CG1-CD1 3.73Å; V2136-L2177 HydrophobicContact CG1-CD1 3.63Å; V2136-L2177 HydrophobicContact CG1-CG 4.07Å; L2137-L2177 PolarHBondContact O-N 2.86Å; Y2138-L2177 HydrophobicContact CD2-CB 3.62Å; Y2138-L2177 HydrophobicContact CD2-CD1 4.07Å; Y2138-L2177 HydrophobicContact CD2-CG 4.5Å; Y2138-L2177 HydrophobicContact CE2-CB 4.13Å; Y2138-L2177 HydrophobicContact CG-CB 4.4Å; M2139-L2177 PolarHBondContact N-O 2.87Å; I2175-L2177 HydrophobicContact CD1-CD1 4.21Å; I2175-L2177 HydrophobicContact CD1-CD2 4.03Å; I2175-L2177 HydrophobicContact CD1-CG 4.09Å; I2175-L2177 HydrophobicContact CG1-CD2 4.38Å; I2175-L2177 HydrophobicContact CG1-CG 4.16Å; L2177-A2197 HydrophobicContact CD2-CB 3.75Å; L2177-Q2201 HydrophobicContact CD2-CB 4.14Å; L2177-Q2201 HydrophobicContact CD2-CG 4.28Å |
| 2178 | H | 94.4 | Very high | 84.9 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | trans | -156.2 | 122.1 | 178.3 | -171 | -86.2 | 0 | 0 | 0 | 109.3 | M2139 R2141 L2180 P2181 E2185 I2186 Y2198 Q2201 | M2139-H2178 VanDerWaalsContact C-CD2 3.43Å; M2139-H2178 PolarHBondContact O-CD2 3.32Å; R2141-H2178 PolarHBondContact N-NE2 3.32Å; H2178-L2180 VanDerWaalsContact CE1-CA 3.45Å; H2178-L2180 WeakPolarHBondContact CE1-CA 3.48Å; H2178-L2180 PolarHBondContact CE1-N 3.36Å; H2178-L2180 WeakPolarHBondContact ND1-CA 3.31Å; H2178-L2180 PolarHBondContact ND1-N 3.01Å; H2178-L2180 PolarHBondContact O-N 2.93Å; H2178-P2181 PolarHBondContact CE1-O 2.89Å; H2178-E2185 IonicContact CE1-OE1 3.38Å; H2178-E2185 PolarHBondContact CE1-OE1 2.71Å; H2178-E2185 IonicContact NE2-OE1 3.9Å; H2178-E2185 PolarHBondContact NE2-OE1 3.38Å; H2178-I2186 HydrophobicContact CB-CD1 3.74Å; H2178-Y2198 HydrophobicContact CB-CD1 4.31Å; H2178-Y2198 HydrophobicContact CB-CG 4.19Å; H2178-Q2201 PolarHBondContact O-OE1 2.96Å; H2178-Q2201 VanDerWaalsContact O-OE1 3.09Å | ||
| 2179 | P | 90.5 | Very high | 84.9 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | trans | -69.2 | -7.7 | -176.9 | 28.5 | -33.9 | 0 | 0 | 0 | 113.6 | R1970 T2081 Y2138 M2139 | R1970-P2179 VanDerWaalsContact CZ-O 3.31Å; R1970-P2179 PolarHBondContact NE-O 3.03Å; R1970-P2179 PolarHBondContact NH2-O 3.14Å; T2081-P2179 HydrophobicContact CG2-CB 4.15Å; Y2138-P2179 HydrophobicContact CE1-CG 4.17Å; M2139-P2179 VanDerWaalsContact O-CD 3.25Å; M2139-P2179 WeakPolarHBondContact O-CD 3.4Å | ||
| 2180 | L | 89.9 | Confident | 85 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.141 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 61.9 | 171.2 | -178.6 | -68.7 | 168.4 | 0 | 0 | 0 | 111.7 | R1970 H2178 R2182 F2199 | R1970-L2180 VanDerWaalsContact NH1-CB 3.26Å; R1970-L2180 PolarHBondContact NH2-O 3.18Å; H2178-L2180 VanDerWaalsContact CE1-CA 3.45Å; H2178-L2180 WeakPolarHBondContact CE1-CA 3.48Å; H2178-L2180 PolarHBondContact CE1-N 3.36Å; H2178-L2180 WeakPolarHBondContact ND1-CA 3.31Å; H2178-L2180 PolarHBondContact ND1-N 3.01Å; H2178-L2180 PolarHBondContact O-N 2.93Å; L2180-R2182 HydrophobicContact CD2-CB 4.03Å; L2180-R2182 HydrophobicContact CD2-CG 4.04Å; L2180-F2199 HydrophobicContact CD1-CD1 4.45Å; L2180-F2199 HydrophobicContact CD1-CE1 4.42Å |
| 2181 | P | 87.2 | Confident | 84.9 | Confident | 54 Ų | 54 | 52 Ų | 52 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | cis | -65.3 | 141.7 | -14.1 | 33 | -34.1 | 0 | 0 | 0 | 109.5 | R1970 R2141 H2178 | R1970-P2181 VanDerWaalsContact NH2-CD 3.32Å; R2141-P2181 WeakPolarHBondContact CD-O 2.99Å; H2178-P2181 PolarHBondContact CE1-O 2.89Å | ||
| 2182 | R | 86.4 | Confident | 84.6 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 18% | 0.181 | 24% | 0.235 | C | C | . | . | trans | -80.7 | 145.2 | 170.2 | 67.3 | 175.9 | 179.5 | -175.2 | -6 | 110.3 | L2180 E2185 D2191 Y2198 | L2180-R2182 HydrophobicContact CD2-CB 4.03Å; L2180-R2182 HydrophobicContact CD2-CG 4.04Å; R2182-E2185 WeakPolarHBondContact CA-OE1 3.44Å; R2182-E2185 WeakPolarHBondContact CB-OE1 3.48Å; R2182-D2191 IonicContact CZ-OD1 3.77Å; R2182-D2191 VanDerWaalsContact CZ-OD1 3.27Å; R2182-D2191 IonicContact CZ-OD2 3.95Å; R2182-D2191 VanDerWaalsContact NH1-CG 3.27Å; R2182-D2191 IonicContact NH1-OD1 3Å; R2182-D2191 PolarHBondContact NH1-OD1 2.89Å; R2182-D2191 IonicContact NH1-OD2 3.85Å; R2182-D2191 PolarHBondContact NH1-OD2 3.12Å; R2182-D2191 IonicContact NH2-OD1 3.38Å; R2182-D2191 PolarHBondContact NH2-OD1 3.19Å; R2182-D2191 IonicContact NH2-OD2 2.71Å; R2182-D2191 PolarHBondContact NH2-OD2 3.49Å; R2182-Y2198 PolarHBondContact NH1-OH 2.68Å | ||
| 2183 | L | 83.7 | Confident | 85.1 | Confident | 81 Ų | 81 | 42.9 Ų | 42.9 | 42% | 0.424 | 21% | 0.207 | S | C | . | . | trans | -105.1 | -94.1 | 170.3 | -62.7 | 174.2 | 0 | 0 | 0 | 109.4 | E2185 | L2183-E2185 WeakPolarHBondContact CA-OE2 3.09Å; L2183-E2185 WeakPolarHBondContact CB-OE2 3.47Å; L2183-E2185 PolarHBondContact N-OE1 3.03Å; L2183-E2185 PolarHBondContact N-OE2 2.64Å | ||
| 2184 | N | 83.1 | Confident | 85.2 | Confident | 120 Ų | 120 | 41 Ų | 41 | 64% | 0.642 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -122.1 | -1.8 | -177.4 | -68.8 | -7.3 | 0 | 0 | 0 | 112.8 | V2161 I2186 | V2161-N2184 VanDerWaalsContact CG1-O 3.26Å; V2161-N2184 WeakPolarHBondContact CG1-O 3.24Å; V2161-N2184 WeakPolarHBondContact CG2-O 3.41Å; N2184-I2186 VanDerWaalsContact C-N 3.26Å; N2184-I2186 PolarHBondContact O-N 3.25Å |
| 2185 | E | 89.5 | Confident | 85.1 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -71.4 | -17 | -178.5 | 65.7 | -77.5 | -179.7 | 0 | 0 | 113.8 | M2139 R2141 V2161 L2162 H2178 R2182 L2183 | M2139-E2185 HydrophobicContact CE-CB 4.19Å; M2139-E2185 HydrophobicContact CE-CG 4.47Å; M2139-E2185 WeakPolarHBondContact CE-O 3.39Å; R2141-E2185 WeakPolarHBondContact CB-OE1 3.37Å; V2161-E2185 CarbonylContact C-O 3.41Å; V2161-E2185 WeakPolarHBondContact CA-O 3.42Å; L2162-E2185 PolarHBondContact N-O 3.06Å; H2178-E2185 IonicContact CE1-OE1 3.38Å; H2178-E2185 PolarHBondContact CE1-OE1 2.71Å; H2178-E2185 IonicContact NE2-OE1 3.9Å; H2178-E2185 PolarHBondContact NE2-OE1 3.38Å; R2182-E2185 WeakPolarHBondContact CA-OE1 3.44Å; R2182-E2185 WeakPolarHBondContact CB-OE1 3.48Å; L2183-E2185 WeakPolarHBondContact CA-OE2 3.09Å; L2183-E2185 WeakPolarHBondContact CB-OE2 3.47Å; L2183-E2185 PolarHBondContact N-OE1 3.03Å; L2183-E2185 PolarHBondContact N-OE2 2.64Å |
| 2186 | I | 90.1 | Very high | 85 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -127.2 | 120.3 | 172.4 | -63.5 | 169.9 | 0 | 0 | 0 | 107.1 | M2139 L2162 V2176 H2178 N2184 I2190 Y2198 | M2139-I2186 HydrophobicContact CB-CD1 3.84Å; M2139-I2186 HydrophobicContact CB-CG1 4.16Å; M2139-I2186 HydrophobicContact CE-CG1 4.23Å; M2139-I2186 HydrophobicContact CG-CD1 4.13Å; M2139-I2186 HydrophobicContact CG-CG1 4.12Å; L2162-I2186 HydrophobicContact CB-CG1 4.42Å; V2176-I2186 HydrophobicContact CG1-CD1 4.29Å; H2178-I2186 HydrophobicContact CB-CD1 3.74Å; N2184-I2186 VanDerWaalsContact C-N 3.26Å; N2184-I2186 PolarHBondContact O-N 3.25Å; I2186-I2190 HydrophobicContact CG2-CB 4.09Å; I2186-I2190 HydrophobicContact CG2-CD1 4.15Å; I2186-I2190 HydrophobicContact CG2-CG2 4.27Å; I2186-Y2198 HydrophobicContact CD1-CD1 4.46Å; I2186-Y2198 HydrophobicContact CD1-CE1 4.38Å; I2186-Y2198 HydrophobicContact CG2-CE1 4.35Å |
| 2187 | S | 85.4 | Confident | 84.8 | Confident | 29 Ų | 29 | 42.5 Ų | 42.5 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | trans | -58.1 | 138.2 | 171.7 | 179 | 0 | 0 | 0 | 0 | 110.3 | L2162 E2189 I2190 | L2162-S2187 WeakPolarHBondContact O-CB 3.33Å; L2162-S2187 PolarHBondContact O-N 2.84Å; S2187-E2189 PolarHBondContact O-N 2.91Å; S2187-E2189 PolarHBondContact OG-N 2.9Å; S2187-I2190 WeakPolarHBondContact O-CB 3.32Å; S2187-I2190 PolarHBondContact O-N 3.24Å; S2187-I2190 VanDerWaalsContact O-N 3.08Å | ||
| 2188 | R | 80.9 | Confident | 84.7 | Confident | 199 Ų | 199 | 42.5 Ų | 42.5 | 75% | 0.751 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -63.1 | -25.3 | 177.7 | -65.8 | -173.8 | -178.3 | -176.6 | 0.8 | 112.7 | I2190 D2191 | R2188-I2190 PolarHBondContact O-N 3.46Å; R2188-I2190 VanDerWaalsContact O-N 3.11Å; R2188-D2191 WeakPolarHBondContact O-CB 3.35Å; R2188-D2191 PolarHBondContact O-N 3.13Å |
| 2189 | E | 74.7 | Confident | 84.5 | Confident | 123 Ų | 123 | 47.8 Ų | 47.8 | 58% | 0.575 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -59.7 | -20 | 174.8 | -65.2 | 169.7 | -175.4 | 0 | 0 | 112.9 | P2164 S2187 D2191 S2192 | P2164-E2189 HydrophobicContact CG-CB 3.79Å; P2164-E2189 WeakPolarHBondContact CG-OE2 3.48Å; S2187-E2189 PolarHBondContact O-N 2.91Å; S2187-E2189 PolarHBondContact OG-N 2.9Å; E2189-D2191 VanDerWaalsContact C-N 3.28Å; E2189-D2191 PolarHBondContact O-N 3.07Å; E2189-S2192 PolarHBondContact O-OG 3.49Å |
| 2190 | I | 84 | Confident | 84.4 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -75.3 | -17.4 | 177 | -63.9 | -178.7 | 0 | 0 | 0 | 111.9 | L2162 P2164 M2167 I2186 S2187 R2188 S2192 D2193 A2196 | L2162-I2190 VanDerWaalsContact C-CD1 3.48Å; L2162-I2190 HydrophobicContact CB-CD1 3.91Å; L2162-I2190 HydrophobicContact CD2-CD1 3.65Å; L2162-I2190 HydrophobicContact CG-CD1 3.42Å; L2162-I2190 VanDerWaalsContact CG-CD1 3.42Å; L2162-I2190 VanDerWaalsContact O-CD1 3.26Å; L2162-I2190 WeakPolarHBondContact O-CD1 3.44Å; P2164-I2190 HydrophobicContact CG-CG1 4.44Å; M2167-I2190 HydrophobicContact CG-CD1 4.14Å; I2186-I2190 HydrophobicContact CG2-CB 4.09Å; I2186-I2190 HydrophobicContact CG2-CD1 4.15Å; I2186-I2190 HydrophobicContact CG2-CG2 4.27Å; S2187-I2190 WeakPolarHBondContact O-CB 3.32Å; S2187-I2190 PolarHBondContact O-N 3.24Å; S2187-I2190 VanDerWaalsContact O-N 3.08Å; R2188-I2190 PolarHBondContact O-N 3.46Å; R2188-I2190 VanDerWaalsContact O-N 3.11Å; I2190-S2192 PolarHBondContact O-N 3.28Å; I2190-D2193 HydrophobicContact CG2-CB 4.36Å; I2190-D2193 WeakPolarHBondContact O-CB 3.48Å; I2190-D2193 PolarHBondContact O-N 3Å; I2190-A2196 HydrophobicContact CG2-CB 4.2Å; I2190-A2196 WeakPolarHBondContact O-CB 3.4Å |
| 2191 | D | 80.1 | Confident | 84.6 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 33% | 0.326 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -58.5 | -32 | 179.4 | -74.1 | -23.2 | 0 | 0 | 0 | 113.5 | R2182 R2188 E2189 D2193 Y2198 | R2182-D2191 IonicContact CZ-OD1 3.77Å; R2182-D2191 VanDerWaalsContact CZ-OD1 3.27Å; R2182-D2191 IonicContact CZ-OD2 3.95Å; R2182-D2191 VanDerWaalsContact NH1-CG 3.27Å; R2182-D2191 IonicContact NH1-OD1 3Å; R2182-D2191 PolarHBondContact NH1-OD1 2.89Å; R2182-D2191 IonicContact NH1-OD2 3.85Å; R2182-D2191 PolarHBondContact NH1-OD2 3.12Å; R2182-D2191 IonicContact NH2-OD1 3.38Å; R2182-D2191 PolarHBondContact NH2-OD1 3.19Å; R2182-D2191 IonicContact NH2-OD2 2.71Å; R2182-D2191 PolarHBondContact NH2-OD2 3.49Å; R2188-D2191 WeakPolarHBondContact O-CB 3.35Å; R2188-D2191 PolarHBondContact O-N 3.13Å; E2189-D2191 VanDerWaalsContact C-N 3.28Å; E2189-D2191 PolarHBondContact O-N 3.07Å; D2191-D2193 VanDerWaalsContact C-N 3.29Å; D2191-Y2198 WeakPolarHBondContact OD1-CE2 3.16Å; D2191-Y2198 PolarHBondContact OD1-OH 2.62Å |
| 2192 | S | 70 | Confident | 84.7 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -76.7 | -18.3 | 177.2 | 62.6 | 0 | 0 | 0 | 0 | 112 | L899 H903 E2189 I2190 | L899-S2192 WeakPolarHBondContact CD1-O 3.42Å; H903-S2192 WeakPolarHBondContact CD2-CB 3.36Å; H903-S2192 VanDerWaalsContact NE2-CB 3.25Å; H903-S2192 WeakPolarHBondContact NE2-CB 3.13Å; E2189-S2192 PolarHBondContact O-OG 3.49Å; I2190-S2192 PolarHBondContact O-N 3.28Å |
| 2193 | D | 77.3 | Confident | 84.9 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -70.7 | 125.4 | 179.2 | -165 | -49.9 | 0 | 0 | 0 | 110.2 | I2190 D2191 R2195 A2196 | I2190-D2193 HydrophobicContact CG2-CB 4.36Å; I2190-D2193 WeakPolarHBondContact O-CB 3.48Å; I2190-D2193 PolarHBondContact O-N 3Å; D2191-D2193 VanDerWaalsContact C-N 3.29Å; D2193-R2195 PolarHBondContact O-N 3.02Å; D2193-R2195 WeakPolarHBondContact OD1-CB 3.45Å; D2193-R2195 VanDerWaalsContact OD1-CG 3.25Å; D2193-R2195 WeakPolarHBondContact OD1-CG 3.14Å; D2193-R2195 IonicContact OD1-CZ 2.62Å; D2193-R2195 PolarHBondContact OD1-N 3.4Å; D2193-R2195 IonicContact OD1-NE 3.78Å; D2193-R2195 PolarHBondContact OD1-NE 3.15Å; D2193-R2195 IonicContact OD1-NH2 2.94Å; D2193-R2195 IonicContact OD2-CZ 2.72Å; D2193-R2195 IonicContact OD2-NE 3.87Å; D2193-R2195 PolarHBondContact OD2-NE 3.48Å; D2193-R2195 VanDerWaalsContact OD2-NE 3.17Å; D2193-R2195 IonicContact OD2-NH2 3.94Å; D2193-R2195 PolarHBondContact OD2-NH2 3.3Å; D2193-A2196 WeakPolarHBondContact O-CB 3.37Å; D2193-A2196 PolarHBondContact O-N 3.36Å |
| 2194 | P | 73.6 | Confident | 85.4 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.3 | -178.7 | 25.6 | -36.9 | 0 | 0 | 0 | 113 | A2196 R2200 | P2194-A2196 PolarHBondContact O-N 3.26Å; P2194-R2200 PolarHBondContact O-NH1 3.27Å; P2194-R2200 PolarHBondContact O-NH2 3.34Å |
| 2195 | R | 85.1 | Confident | 85.8 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 12% | 0.121 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.7 | 174.8 | -63.3 | 177.6 | -75 | -169.4 | -4.2 | 112.8 | M2167 K2171 K2172 S2174 I2175 V2176 D2193 A2197 | M2167-R2195 HydrophobicContact CE-CB 3.96Å; M2167-R2195 HydrophobicContact CE-CG 4.5Å; M2167-R2195 PolarHBondContact O-NH1 3.32Å; M2167-R2195 PolarHBondContact O-NH2 2.87Å; K2171-R2195 PolarHBondContact O-NH1 2.86Å; K2172-R2195 WeakPolarHBondContact O-CD 3.32Å; S2174-R2195 WeakPolarHBondContact O-CB 3.28Å; S2174-R2195 VanDerWaalsContact O-CD 3.29Å; S2174-R2195 WeakPolarHBondContact O-CD 3.33Å; S2174-R2195 WeakPolarHBondContact O-CG 3.43Å; I2175-R2195 CarbonylContact C-O 3.57Å; I2175-R2195 WeakPolarHBondContact CA-O 3.32Å; V2176-R2195 PolarHBondContact N-O 2.66Å; D2193-R2195 PolarHBondContact O-N 3.02Å; D2193-R2195 WeakPolarHBondContact OD1-CB 3.45Å; D2193-R2195 VanDerWaalsContact OD1-CG 3.25Å; D2193-R2195 WeakPolarHBondContact OD1-CG 3.14Å; D2193-R2195 IonicContact OD1-CZ 2.62Å; D2193-R2195 PolarHBondContact OD1-N 3.4Å; D2193-R2195 IonicContact OD1-NE 3.78Å; D2193-R2195 PolarHBondContact OD1-NE 3.15Å; D2193-R2195 IonicContact OD1-NH2 2.94Å; D2193-R2195 IonicContact OD2-CZ 2.72Å; D2193-R2195 IonicContact OD2-NE 3.87Å; D2193-R2195 PolarHBondContact OD2-NE 3.48Å; D2193-R2195 VanDerWaalsContact OD2-NE 3.17Å; D2193-R2195 IonicContact OD2-NH2 3.94Å; D2193-R2195 PolarHBondContact OD2-NH2 3.3Å; R2195-A2197 PolarHBondContact O-N 3.32Å |
| 2196 | A | 88.7 | Confident | 86 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 90.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I2190 D2193 P2194 Y2198 R2200 | I2190-A2196 HydrophobicContact CG2-CB 4.2Å; I2190-A2196 WeakPolarHBondContact O-CB 3.4Å; D2193-A2196 WeakPolarHBondContact O-CB 3.37Å; D2193-A2196 PolarHBondContact O-N 3.36Å; P2194-A2196 PolarHBondContact O-N 3.26Å; A2196-Y2198 HydrophobicContact CB-CD1 4.26Å; A2196-Y2198 HydrophobicContact CB-CE1 3.51Å; A2196-R2200 PolarHBondContact O-NH1 3.35Å |
| 2197 | A | 91.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -93.3 | -2.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T2057 E2061 I2175 V2176 L2177 R2195 F2199 R2200 Q2201 | T2057-A2197 HydrophobicContact CG2-CB 4.49Å; E2061-A2197 HydrophobicContact CG-CB 4.42Å; I2175-A2197 HydrophobicContact CB-CB 4.02Å; I2175-A2197 HydrophobicContact CG2-CB 4.5Å; V2176-A2197 PolarHBondContact O-N 2.93Å; L2177-A2197 HydrophobicContact CD2-CB 3.75Å; R2195-A2197 PolarHBondContact O-N 3.32Å; A2197-F2199 VanDerWaalsContact C-N 3.33Å; A2197-F2199 PolarHBondContact O-N 2.84Å; A2197-R2200 CarbonylContact O-C 3.58Å; A2197-R2200 WeakPolarHBondContact O-CB 3.15Å; A2197-R2200 PolarHBondContact O-N 3.2Å; A2197-R2200 VanDerWaalsContact O-N 3.09Å; A2197-Q2201 VanDerWaalsContact O-CB 3.31Å; A2197-Q2201 WeakPolarHBondContact O-CB 3.46Å; A2197-Q2201 PolarHBondContact O-N 2.9Å | ||
| 2198 | Y | 93.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -25.3 | -173.2 | 43.9 | -98.8 | 0 | 0 | 0 | 115.7 | V2176 H2178 R2182 I2186 D2191 A2196 A2202 | V2176-Y2198 HydrophobicContact CB-CD1 4.44Å; V2176-Y2198 HydrophobicContact CG1-CD1 4.19Å; V2176-Y2198 HydrophobicContact CG1-CE1 4.27Å; V2176-Y2198 PolarHBondContact O-N 2.81Å; H2178-Y2198 HydrophobicContact CB-CD1 4.31Å; H2178-Y2198 HydrophobicContact CB-CG 4.19Å; R2182-Y2198 PolarHBondContact NH1-OH 2.68Å; I2186-Y2198 HydrophobicContact CD1-CD1 4.46Å; I2186-Y2198 HydrophobicContact CD1-CE1 4.38Å; I2186-Y2198 HydrophobicContact CG2-CE1 4.35Å; D2191-Y2198 WeakPolarHBondContact OD1-CE2 3.16Å; D2191-Y2198 PolarHBondContact OD1-OH 2.62Å; A2196-Y2198 HydrophobicContact CB-CD1 4.26Å; A2196-Y2198 HydrophobicContact CB-CE1 3.51Å; Y2198-A2202 PolarHBondContact O-N 2.88Å |
| 2199 | F | 89.6 | Confident | 87.2 | Confident | 112 Ų | 112 | 30.2 Ų | 30.2 | 49% | 0.491 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -78.1 | -40.1 | 170.2 | -67.7 | -59.3 | 0 | 0 | 0 | 112 | L2180 A2197 Q2201 A2202 E2203 | L2180-F2199 HydrophobicContact CD1-CD1 4.45Å; L2180-F2199 HydrophobicContact CD1-CE1 4.42Å; A2197-F2199 VanDerWaalsContact C-N 3.33Å; A2197-F2199 PolarHBondContact O-N 2.84Å; F2199-Q2201 VanDerWaalsContact C-N 3.31Å; F2199-Q2201 PolarHBondContact O-N 3.12Å; F2199-A2202 WeakPolarHBondContact O-CB 3.5Å; F2199-A2202 PolarHBondContact O-N 2.77Å; F2199-A2202 VanDerWaalsContact O-N 3.16Å; F2199-E2203 PolarHBondContact O-N 3.49Å |
| 2200 | R | 89 | Confident | 88 | Confident | 54 Ų | 54 | 24.4 Ų | 24.4 | 20% | 0.204 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 171.9 | -60.7 | -167.5 | -63.7 | -87.8 | 10.7 | 111.1 | E2061 P2194 A2196 A2197 A2202 E2203 Y2204 | E2061-R2200 IonicContact OE1-CZ 2.87Å; E2061-R2200 IonicContact OE1-NE 2.76Å; E2061-R2200 PolarHBondContact OE1-NE 3.14Å; E2061-R2200 IonicContact OE1-NH2 2.89Å; E2061-R2200 PolarHBondContact OE1-NH2 3.23Å; E2061-R2200 IonicContact OE2-CZ 3.29Å; E2061-R2200 IonicContact OE2-NE 3.37Å; E2061-R2200 IonicContact OE2-NH2 3.27Å; E2061-R2200 PolarHBondContact OE2-NH2 2.94Å; P2194-R2200 PolarHBondContact O-NH1 3.27Å; P2194-R2200 PolarHBondContact O-NH2 3.34Å; A2196-R2200 PolarHBondContact O-NH1 3.35Å; A2197-R2200 CarbonylContact O-C 3.58Å; A2197-R2200 WeakPolarHBondContact O-CB 3.15Å; A2197-R2200 PolarHBondContact O-N 3.2Å; A2197-R2200 VanDerWaalsContact O-N 3.09Å; R2200-A2202 VanDerWaalsContact C-N 3.33Å; R2200-A2202 PolarHBondContact O-N 3.48Å; R2200-E2203 WeakPolarHBondContact O-CB 3.37Å; R2200-E2203 PolarHBondContact O-N 3.36Å; R2200-Y2204 HydrophobicContact CB-CE2 4.28Å; R2200-Y2204 WeakPolarHBondContact O-CB 3.39Å; R2200-Y2204 WeakPolarHBondContact O-CD1 3.44Å; R2200-Y2204 PolarHBondContact O-N 3.2Å |
| 2201 | Q | 93.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.2 | -47.3 | 171.2 | -176.6 | -171.8 | 8.4 | 0 | 0 | 111.3 | L2053 D2054 T2057 L2177 H2178 A2197 F2199 E2203 Y2204 G2205 | L2053-Q2201 HydrophobicContact CD1-CG 3.63Å; L2053-Q2201 WeakPolarHBondContact CD1-O 3.21Å; D2054-Q2201 PolarHBondContact OD1-NE2 3.48Å; T2057-Q2201 HydrophobicContact CG2-CB 4.03Å; T2057-Q2201 WeakPolarHBondContact OG1-CA 3.4Å; L2177-Q2201 HydrophobicContact CD2-CB 4.14Å; L2177-Q2201 HydrophobicContact CD2-CG 4.28Å; H2178-Q2201 PolarHBondContact O-OE1 2.96Å; H2178-Q2201 VanDerWaalsContact O-OE1 3.09Å; A2197-Q2201 VanDerWaalsContact O-CB 3.31Å; A2197-Q2201 WeakPolarHBondContact O-CB 3.46Å; A2197-Q2201 PolarHBondContact O-N 2.9Å; F2199-Q2201 VanDerWaalsContact C-N 3.31Å; F2199-Q2201 PolarHBondContact O-N 3.12Å; Q2201-E2203 PolarHBondContact O-N 2.92Å; Q2201-Y2204 PolarHBondContact O-N 2.98Å; Q2201-G2205 PolarHBondContact O-N 3.36Å |
| 2202 | A | 90.7 | Very high | 88.9 | Confident | 36 Ų | 36 | 21.4 Ų | 21.4 | 30% | 0.298 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -62.9 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y2198 F2199 R2200 G2205 | Y2198-A2202 PolarHBondContact O-N 2.88Å; F2199-A2202 WeakPolarHBondContact O-CB 3.5Å; F2199-A2202 PolarHBondContact O-N 2.77Å; F2199-A2202 VanDerWaalsContact O-N 3.16Å; R2200-A2202 VanDerWaalsContact C-N 3.33Å; R2200-A2202 PolarHBondContact O-N 3.48Å; A2202-G2205 PolarHBondContact O-N 2.88Å |
| 2203 | E | 90.1 | Very high | 89.9 | Confident | 85 Ų | 85 | 20.5 Ų | 20.5 | 40% | 0.397 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -62.8 | -48.9 | 175 | -169.5 | -160.8 | 156.8 | 0 | 0 | 111.7 | F2199 R2200 Q2201 G2205 M2206 Y2207 | F2199-E2203 PolarHBondContact O-N 3.49Å; R2200-E2203 WeakPolarHBondContact O-CB 3.37Å; R2200-E2203 PolarHBondContact O-N 3.36Å; Q2201-E2203 PolarHBondContact O-N 2.92Å; E2203-G2205 PolarHBondContact O-N 2.94Å; E2203-G2205 VanDerWaalsContact O-N 3.16Å; E2203-M2206 WeakPolarHBondContact O-CB 3.41Å; E2203-M2206 PolarHBondContact O-N 2.93Å; E2203-Y2207 HydrophobicContact CG-CE2 4.13Å; E2203-Y2207 WeakPolarHBondContact OE1-CE2 3.17Å; E2203-Y2207 PolarHBondContact OE1-OH 3.17Å |
| 2204 | Y | 92.7 | Very high | 90.4 | Very high | 20 Ų | 20 | 20.4 Ų | 20.4 | 8% | 0.078 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -27.2 | 179 | -68.3 | -3.1 | 0 | 0 | 0 | 112.6 | K1942 F2056 T2057 E2060 R2200 Q2201 M2206 Y2207 I2208 | K1942-Y2204 HydrophobicContact CD-CD1 4.35Å; K1942-Y2204 HydrophobicContact CD-CE1 4.09Å; K1942-Y2204 PolarHBondContact NZ-OH 3.14Å; K1942-Y2204 VanDerWaalsContact NZ-OH 3.15Å; F2056-Y2204 HydrophobicContact CD1-CD2 4.43Å; F2056-Y2204 HydrophobicContact CD1-CG 4.31Å; F2056-Y2204 HydrophobicContact CE1-CD2 4.47Å; F2056-Y2204 HydrophobicContact CE1-CG 4.18Å; T2057-Y2204 HydrophobicContact CG2-CD2 3.9Å; T2057-Y2204 HydrophobicContact CG2-CE2 4.17Å; E2060-Y2204 HydrophobicContact CB-CD2 4.34Å; E2060-Y2204 HydrophobicContact CB-CE2 3.73Å; E2060-Y2204 HydrophobicContact CG-CD2 4.43Å; E2060-Y2204 HydrophobicContact CG-CE2 4.17Å; R2200-Y2204 HydrophobicContact CB-CE2 4.28Å; R2200-Y2204 WeakPolarHBondContact O-CB 3.39Å; R2200-Y2204 WeakPolarHBondContact O-CD1 3.44Å; R2200-Y2204 PolarHBondContact O-N 3.2Å; Q2201-Y2204 PolarHBondContact O-N 2.98Å; Y2204-M2206 PolarHBondContact O-N 3.38Å; Y2204-Y2207 HydrophobicContact CD1-CD2 4.39Å; Y2204-Y2207 PolarHBondContact O-N 3.06Å; Y2204-I2208 PolarHBondContact O-N 3.28Å |
| 2205 | G | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.6 | -33.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q2201 A2202 E2203 R2209 | Q2201-G2205 PolarHBondContact O-N 3.36Å; A2202-G2205 PolarHBondContact O-N 2.88Å; E2203-G2205 PolarHBondContact O-N 2.94Å; E2203-G2205 VanDerWaalsContact O-N 3.16Å; G2205-R2209 VanDerWaalsContact C-NH1 3.32Å; G2205-R2209 WeakPolarHBondContact O-CB 3.43Å; G2205-R2209 WeakPolarHBondContact O-CD 3.37Å; G2205-R2209 WeakPolarHBondContact O-CG 3.16Å; G2205-R2209 PolarHBondContact O-N 2.63Å; G2205-R2209 VanDerWaalsContact O-N 3.16Å; G2205-R2209 PolarHBondContact O-NH1 3.48Å |
| 2206 | M | 93.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 17.3 Ų | 17.3 | 11% | 0.108 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.7 | -51 | 174.7 | -176.2 | -175 | 67.3 | 0 | 0 | 110.8 | A1977 A1978 R1981 E2203 Y2204 I2208 R2209 M2210 | A1977-M2206 HydrophobicContact CB-SD 4.26Å; A1978-M2206 HydrophobicContact CB-CG 4.44Å; R1981-M2206 PolarHBondContact NE-SD 3.36Å; E2203-M2206 WeakPolarHBondContact O-CB 3.41Å; E2203-M2206 PolarHBondContact O-N 2.93Å; Y2204-M2206 PolarHBondContact O-N 3.38Å; M2206-I2208 VanDerWaalsContact C-N 3.35Å; M2206-I2208 PolarHBondContact O-N 2.96Å; M2206-R2209 CarbonylContact O-C 3.45Å; M2206-R2209 PolarHBondContact O-N 2.75Å; M2206-M2210 HydrophobicContact CE-SD 4.43Å; M2206-M2210 HydrophobicContact CG-CG 4.49Å; M2206-M2210 HydrophobicContact CG-SD 4.21Å; M2206-M2210 VanDerWaalsContact O-CG 3.31Å; M2206-M2210 WeakPolarHBondContact O-CG 3.45Å; M2206-M2210 PolarHBondContact O-N 3.33Å |
| 2207 | Y | 93 | Very high | 91.2 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 3% | 0.027 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.3 | -35.7 | -176.7 | -56.6 | -63.4 | 0 | 0 | 0 | 113 | K1942 E2203 Y2204 M2210 A2211 | K1942-Y2207 VanDerWaalsContact CA-CD1 3.48Å; K1942-Y2207 VanDerWaalsContact CA-CE1 3.47Å; K1942-Y2207 HydrophobicContact CB-CD1 3.91Å; K1942-Y2207 HydrophobicContact CB-CD2 3.74Å; K1942-Y2207 HydrophobicContact CB-CE1 4.1Å; K1942-Y2207 HydrophobicContact CB-CE2 3.94Å; K1942-Y2207 HydrophobicContact CB-CG 3.73Å; K1942-Y2207 HydrophobicContact CD-CD2 4.2Å; K1942-Y2207 HydrophobicContact CD-CE2 4.23Å; K1942-Y2207 HydrophobicContact CG-CD2 3.85Å; K1942-Y2207 HydrophobicContact CG-CE1 4.47Å; K1942-Y2207 HydrophobicContact CG-CE2 3.65Å; K1942-Y2207 HydrophobicContact CG-CG 4.36Å; E2203-Y2207 HydrophobicContact CG-CE2 4.13Å; E2203-Y2207 WeakPolarHBondContact OE1-CE2 3.17Å; E2203-Y2207 PolarHBondContact OE1-OH 3.17Å; Y2204-Y2207 HydrophobicContact CD1-CD2 4.39Å; Y2204-Y2207 PolarHBondContact O-N 3.06Å; Y2207-M2210 HydrophobicContact CD1-SD 3.86Å; Y2207-M2210 HydrophobicContact CE1-SD 4.43Å; Y2207-M2210 WeakPolarHBondContact O-CB 3.27Å; Y2207-M2210 PolarHBondContact O-N 2.99Å; Y2207-A2211 PolarHBondContact O-N 3.29Å |
| 2208 | I | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 173.8 | -73.5 | -76.2 | 0 | 0 | 0 | 111.4 | I1934 F1935 A1938 L2052 L2053 F2056 Y2204 M2206 M2210 A2211 L2212 | I1934-I2208 HydrophobicContact CG2-CD1 4.07Å; F1935-I2208 HydrophobicContact CD1-CD1 3.45Å; F1935-I2208 VanDerWaalsContact CD1-CD1 3.45Å; F1935-I2208 HydrophobicContact CE1-CD1 3.8Å; A1938-I2208 HydrophobicContact CB-CD1 3.66Å; A1938-I2208 HydrophobicContact CB-CG1 4.11Å; L2052-I2208 HydrophobicContact CB-CG2 3.89Å; L2053-I2208 HydrophobicContact CB-CB 4.05Å; L2053-I2208 HydrophobicContact CB-CG1 4.13Å; L2053-I2208 HydrophobicContact CB-CG2 4.09Å; F2056-I2208 HydrophobicContact CB-CD1 3.49Å; F2056-I2208 VanDerWaalsContact CB-CD1 3.49Å; F2056-I2208 HydrophobicContact CB-CG1 3.72Å; F2056-I2208 HydrophobicContact CD1-CD1 3.89Å; F2056-I2208 HydrophobicContact CD1-CG1 3.56Å; F2056-I2208 HydrophobicContact CD2-CD1 3.9Å; F2056-I2208 HydrophobicContact CD2-CG1 4.49Å; F2056-I2208 HydrophobicContact CE1-CG1 4.3Å; F2056-I2208 HydrophobicContact CG-CD1 3.49Å; F2056-I2208 VanDerWaalsContact CG-CD1 3.49Å; F2056-I2208 HydrophobicContact CG-CG1 3.68Å; Y2204-I2208 PolarHBondContact O-N 3.28Å; M2206-I2208 VanDerWaalsContact C-N 3.35Å; M2206-I2208 PolarHBondContact O-N 2.96Å; I2208-M2210 VanDerWaalsContact C-N 3.3Å; I2208-M2210 PolarHBondContact O-N 3.48Å; I2208-A2211 PolarHBondContact O-N 3.31Å; I2208-L2212 HydrophobicContact CG2-CD1 4Å; I2208-L2212 WeakPolarHBondContact O-CB 3.35Å; I2208-L2212 WeakPolarHBondContact O-CG 3.41Å; I2208-L2212 PolarHBondContact O-N 3.22Å |
| 2209 | R | 94.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.8 | -34.9 | 174 | -69.9 | 168.7 | -177.6 | 114.5 | 1.1 | 111.4 | S1974 F1975 A1978 G2205 M2206 L2213 | S1974-R2209 VanDerWaalsContact CB-NH1 3.32Å; S1974-R2209 WeakPolarHBondContact OG-CD 3.36Å; S1974-R2209 PolarHBondContact OG-NE 2.91Å; S1974-R2209 PolarHBondContact OG-NH1 3.28Å; F1975-R2209 HydrophobicContact CD1-CB 3.94Å; F1975-R2209 HydrophobicContact CD1-CG 3.97Å; F1975-R2209 HydrophobicContact CD2-CG 4.18Å; F1975-R2209 HydrophobicContact CE1-CB 3.91Å; F1975-R2209 HydrophobicContact CE1-CG 3.71Å; F1975-R2209 HydrophobicContact CE2-CG 3.93Å; F1975-R2209 HydrophobicContact CG-CB 4.45Å; F1975-R2209 HydrophobicContact CG-CG 4.19Å; F1975-R2209 HydrophobicContact CZ-CB 4.41Å; F1975-R2209 HydrophobicContact CZ-CG 3.69Å; A1978-R2209 HydrophobicContact CB-CB 3.99Å; G2205-R2209 VanDerWaalsContact C-NH1 3.32Å; G2205-R2209 WeakPolarHBondContact O-CB 3.43Å; G2205-R2209 WeakPolarHBondContact O-CD 3.37Å; G2205-R2209 WeakPolarHBondContact O-CG 3.16Å; G2205-R2209 PolarHBondContact O-N 2.63Å; G2205-R2209 VanDerWaalsContact O-N 3.16Å; G2205-R2209 PolarHBondContact O-NH1 3.48Å; M2206-R2209 CarbonylContact O-C 3.45Å; M2206-R2209 PolarHBondContact O-N 2.75Å; R2209-L2213 WeakPolarHBondContact O-CB 3.28Å; R2209-L2213 WeakPolarHBondContact O-CG 3.44Å; R2209-L2213 PolarHBondContact O-N 2.57Å |
| 2210 | M | 92.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.7 | -48.5 | 173.8 | -69.2 | 170 | 66.7 | 0 | 0 | 111.3 | L1941 V1951 A1978 R1981 L1982 M2206 Y2207 I2208 L2212 L2213 A2214 | L1941-M2210 HydrophobicContact CB-CE 4.1Å; L1941-M2210 HydrophobicContact CD1-CB 3.76Å; L1941-M2210 HydrophobicContact CD1-CE 4.46Å; L1941-M2210 HydrophobicContact CD2-CE 4.09Å; L1941-M2210 HydrophobicContact CG-CE 4.45Å; V1951-M2210 HydrophobicContact CG1-CE 4.4Å; A1978-M2210 HydrophobicContact CB-CB 4.27Å; A1978-M2210 HydrophobicContact CB-CG 3.42Å; A1978-M2210 VanDerWaalsContact CB-CG 3.42Å; R1981-M2210 HydrophobicContact CB-CE 4.09Å; R1981-M2210 HydrophobicContact CB-SD 4.4Å; L1982-M2210 HydrophobicContact CD1-CB 4.02Å; L1982-M2210 HydrophobicContact CD1-CG 4.33Å; L1982-M2210 WeakPolarHBondContact CD1-O 3.48Å; L1982-M2210 HydrophobicContact CD2-CB 4.25Å; L1982-M2210 HydrophobicContact CD2-CE 3.86Å; L1982-M2210 HydrophobicContact CG-CB 4.28Å; L1982-M2210 HydrophobicContact CG-CE 4.24Å; L1982-M2210 HydrophobicContact CG-CG 4.29Å; M2206-M2210 HydrophobicContact CE-SD 4.43Å; M2206-M2210 HydrophobicContact CG-CG 4.49Å; M2206-M2210 HydrophobicContact CG-SD 4.21Å; M2206-M2210 VanDerWaalsContact O-CG 3.31Å; M2206-M2210 WeakPolarHBondContact O-CG 3.45Å; M2206-M2210 PolarHBondContact O-N 3.33Å; Y2207-M2210 HydrophobicContact CD1-SD 3.86Å; Y2207-M2210 HydrophobicContact CE1-SD 4.43Å; Y2207-M2210 WeakPolarHBondContact O-CB 3.27Å; Y2207-M2210 PolarHBondContact O-N 2.99Å; I2208-M2210 VanDerWaalsContact C-N 3.3Å; I2208-M2210 PolarHBondContact O-N 3.48Å; M2210-L2212 PolarHBondContact O-N 3.49Å; M2210-L2213 PolarHBondContact O-N 3.03Å; M2210-A2214 WeakPolarHBondContact O-CB 3.39Å; M2210-A2214 PolarHBondContact O-N 2.89Å |
| 2211 | A | 90.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1934 L1937 A1938 L1941 Y2207 I2208 A2214 M2215 | I1934-A2211 HydrophobicContact CG2-CB 4.39Å; I1934-A2211 WeakPolarHBondContact O-CB 3.43Å; L1937-A2211 HydrophobicContact CB-CB 3.97Å; L1937-A2211 HydrophobicContact CD2-CB 3.96Å; L1937-A2211 HydrophobicContact CG-CB 3.85Å; A1938-A2211 HydrophobicContact CB-CB 3.93Å; L1941-A2211 HydrophobicContact CD1-CB 4.2Å; Y2207-A2211 PolarHBondContact O-N 3.29Å; I2208-A2211 PolarHBondContact O-N 3.31Å; A2211-A2214 PolarHBondContact O-N 3.16Å; A2211-M2215 WeakPolarHBondContact O-CB 3.48Å; A2211-M2215 VanDerWaalsContact O-CG 3.29Å; A2211-M2215 WeakPolarHBondContact O-CG 3.12Å; A2211-M2215 PolarHBondContact O-N 3.09Å |
| 2212 | L | 91.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 176 | -77.7 | 168.3 | 0 | 0 | 0 | 112.2 | I1934 T2049 L2052 I2208 M2210 A2214 M2215 V2216 | I1934-L2212 HydrophobicContact CD1-CD2 3.88Å; I1934-L2212 HydrophobicContact CG1-CD2 4.3Å; I1934-L2212 HydrophobicContact CG2-CD2 4.4Å; I1934-L2212 HydrophobicContact CG2-CG 4.32Å; T2049-L2212 HydrophobicContact CG2-CD1 3.82Å; L2052-L2212 HydrophobicContact CD1-CD1 3.67Å; L2052-L2212 HydrophobicContact CD1-CD2 3.86Å; L2052-L2212 HydrophobicContact CD1-CG 4.21Å; I2208-L2212 HydrophobicContact CG2-CD1 4Å; I2208-L2212 WeakPolarHBondContact O-CB 3.35Å; I2208-L2212 WeakPolarHBondContact O-CG 3.41Å; I2208-L2212 PolarHBondContact O-N 3.22Å; M2210-L2212 PolarHBondContact O-N 3.49Å; L2212-A2214 VanDerWaalsContact C-N 3.35Å; L2212-A2214 PolarHBondContact O-N 3.11Å; L2212-M2215 PolarHBondContact O-N 3.39Å; L2212-V2216 VanDerWaalsContact O-CB 3.24Å; L2212-V2216 WeakPolarHBondContact O-CB 3.41Å; L2212-V2216 WeakPolarHBondContact O-CG2 3.4Å; L2212-V2216 PolarHBondContact O-N 3.23Å |
| 2213 | L | 92.1 | Very high | 77.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 177.9 | -75.4 | 170 | 0 | 0 | 0 | 111.1 | L1955 M1960 F1975 A1978 M1979 L1982 V2015 I2038 R2209 M2210 M2215 V2217 | L1955-L2213 HydrophobicContact CD1-CB 4Å; M1960-L2213 HydrophobicContact SD-CD1 4.26Å; M1960-L2213 HydrophobicContact SD-CD2 4.01Å; F1975-L2213 HydrophobicContact CD1-CD1 4.22Å; F1975-L2213 HydrophobicContact CD1-CG 4.4Å; A1978-L2213 HydrophobicContact CB-CD1 3.9Å; M1979-L2213 HydrophobicContact CB-CD1 4.04Å; M1979-L2213 HydrophobicContact SD-CD1 4.16Å; M1979-L2213 HydrophobicContact SD-CD2 4.41Å; L1982-L2213 HydrophobicContact CD1-CB 3.94Å; L1982-L2213 HydrophobicContact CD1-CD1 4.48Å; V2015-L2213 HydrophobicContact CG1-CD2 4.08Å; I2038-L2213 HydrophobicContact CD1-CD2 4.17Å; R2209-L2213 WeakPolarHBondContact O-CB 3.28Å; R2209-L2213 WeakPolarHBondContact O-CG 3.44Å; R2209-L2213 PolarHBondContact O-N 2.57Å; M2210-L2213 PolarHBondContact O-N 3.03Å; L2213-M2215 PolarHBondContact O-N 3.47Å; L2213-V2217 VanDerWaalsContact O-CB 3.23Å; L2213-V2217 WeakPolarHBondContact O-CB 3.43Å; L2213-V2217 VanDerWaalsContact O-CG2 3.28Å; L2213-V2217 WeakPolarHBondContact O-CG2 3.32Å; L2213-V2217 PolarHBondContact O-N 3.28Å |
| 2214 | A | 88.2 | Confident | 74.8 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1937 M2210 A2211 L2212 G2218 | L1937-A2214 HydrophobicContact CD2-CB 4.12Å; M2210-A2214 WeakPolarHBondContact O-CB 3.39Å; M2210-A2214 PolarHBondContact O-N 2.89Å; A2211-A2214 PolarHBondContact O-N 3.16Å; L2212-A2214 VanDerWaalsContact C-N 3.35Å; L2212-A2214 PolarHBondContact O-N 3.11Å; A2214-G2218 WeakPolarHBondContact O-CA 3.4Å; A2214-G2218 PolarHBondContact O-N 3.47Å; A2214-G2218 VanDerWaalsContact O-N 3.15Å |
| 2215 | M | 88.3 | Confident | 73.9 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.4 | -38.7 | 179.8 | -67.9 | 175.7 | 83.7 | 0 | 0 | 113.3 | A1912 L1915 M1916 D1933 I1934 L1937 A2211 L2212 L2213 | A1912-M2215 HydrophobicContact CB-CE 4.24Å; L1915-M2215 HydrophobicContact CD1-CE 4.01Å; L1915-M2215 HydrophobicContact CD1-SD 4.49Å; M1916-M2215 VanDerWaalsContact CA-O 3.29Å; M1916-M2215 WeakPolarHBondContact CA-O 3.4Å; M1916-M2215 PolarHBondContact N-O 2.68Å; D1933-M2215 HydrophobicContact CB-CE 4.05Å; I1934-M2215 HydrophobicContact CB-SD 4.36Å; I1934-M2215 HydrophobicContact CG1-CE 4.2Å; I1934-M2215 HydrophobicContact CG1-SD 3.65Å; L1937-M2215 HydrophobicContact CD2-CG 3.75Å; L1937-M2215 HydrophobicContact CD2-SD 4.19Å; A2211-M2215 WeakPolarHBondContact O-CB 3.48Å; A2211-M2215 VanDerWaalsContact O-CG 3.29Å; A2211-M2215 WeakPolarHBondContact O-CG 3.12Å; A2211-M2215 PolarHBondContact O-N 3.09Å; L2212-M2215 PolarHBondContact O-N 3.39Å; L2213-M2215 PolarHBondContact O-N 3.47Å |
| 2216 | V | 88.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -78.1 | -41.4 | -176.4 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | G1917 I1920 P2036 L2212 | G1917-V2216 PolarHBondContact N-O 2.73Å; I1920-V2216 HydrophobicContact CD1-CG2 3.89Å; I1920-V2216 HydrophobicContact CG1-CG2 3.75Å; P2036-V2216 HydrophobicContact CB-CG1 3.38Å; P2036-V2216 HydrophobicContact CG-CG1 4.02Å; L2212-V2216 VanDerWaalsContact O-CB 3.24Å; L2212-V2216 WeakPolarHBondContact O-CB 3.41Å; L2212-V2216 WeakPolarHBondContact O-CG2 3.4Å; L2212-V2216 PolarHBondContact O-N 3.23Å |
| 2217 | V | 85.6 | Confident | 71.8 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 12% | 0.121 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -82.1 | -32.8 | -177.7 | -178 | 0 | 0 | 0 | 0 | 111.8 | L1955 K1958 D2014 V2015 L2213 | L1955-V2217 HydrophobicContact CD1-CB 4.45Å; L1955-V2217 HydrophobicContact CD2-CB 3.88Å; L1955-V2217 HydrophobicContact CD2-CG1 3.89Å; K1958-V2217 HydrophobicContact CB-CG1 4.15Å; K1958-V2217 HydrophobicContact CD-CG1 3.7Å; K1958-V2217 HydrophobicContact CG-CG1 3.74Å; D2014-V2217 HydrophobicContact CB-CG1 4.43Å; V2015-V2217 HydrophobicContact CB-CG2 3.84Å; V2015-V2217 HydrophobicContact CG1-CG2 3.59Å; V2015-V2217 HydrophobicContact CG2-CG2 4.43Å; L2213-V2217 VanDerWaalsContact O-CB 3.23Å; L2213-V2217 WeakPolarHBondContact O-CB 3.43Å; L2213-V2217 VanDerWaalsContact O-CG2 3.28Å; L2213-V2217 WeakPolarHBondContact O-CG2 3.32Å; L2213-V2217 PolarHBondContact O-N 3.28Å |
| 2218 | G | 71.7 | Confident | 70.5 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | trans | 74.5 | 135.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A2214 | A2214-G2218 WeakPolarHBondContact O-CA 3.4Å; A2214-G2218 PolarHBondContact O-N 3.47Å; A2214-G2218 VanDerWaalsContact O-N 3.15Å | ||
| 2219 | G | 58.7 | Low | 69 | Low | 42 Ų | 42 | 51.9 Ų | 51.9 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | trans | -75.1 | 144.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2220 | R | 43.8 | Very low | 67.4 | Low | 193 Ų | 193 | 55.1 Ų | 55.1 | 73% | 0.728 | 32% | 0.316 | S | S | * | . | trans | -65.2 | 133.5 | 178.5 | -109.8 | -176.8 | 178 | 177.3 | 0.1 | 111.3 | T2222 | R2220-T2222 HydrophobicContact CB-CG2 4.31Å; R2220-T2222 PolarHBondContact O-N 2.88Å | ||
| 2221 | N | 36.6 | Very low | 65.6 | Low | 142 Ų | 142 | 59 Ų | 59 | 76% | 0.759 | 34% | 0.338 | S | S | * | . | trans | -76.8 | 95.4 | 153.6 | -81.3 | -13.4 | 0 | 0 | 0 | 108.2 | ||||
| 2222 | T | 31.4 | Very low | 63.7 | Low | 75 Ų | 75 | 63.5 Ų | 63.5 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | trans | -95.6 | 87.1 | 163.4 | 49.2 | 0 | 0 | 0 | 0 | 108.7 | R2220 L2224 | R2220-T2222 HydrophobicContact CB-CG2 4.31Å; R2220-T2222 PolarHBondContact O-N 2.88Å; T2222-L2224 PolarHBondContact O-N 3.28Å | ||
| 2223 | A | 25.1 | Very low | 61.3 | Low | 106 Ų | 106 | 68.8 Ų | 68.8 | 88% | 0.876 | 40% | 0.395 | S | S | * | . | trans | -74.7 | 90.6 | 138.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 2224 | L | 26.2 | Very low | 58.6 | Low | 226 Ų | 226 | 75.1 Ų | 75.1 | 100% | 1.183 | 43% | 0.431 | S | S | * | . | trans | -143.7 | 0 | 162.7 | -105.9 | 168.4 | 0 | 0 | 0 | 106.9 | T2222 | T2222-L2224 PolarHBondContact O-N 3.28Š|
Retrieved 2,224 of 2,224 residues in 1122.4 ms
(Link to these results)