| 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 | E | 37.3 | Very low | 33.4 | Very low | 239 Ų | 239 | 155.6 Ų | 155.6 | 100% | 1.117 | 85% | 0.845 | S | S | * | * | 0 | 121.3 | 0 | -65.5 | 164.9 | 150.4 | 0 | 0 | 105.9 | |||||
| 2 | T | 29.9 | Very low | 33.8 | Very low | 125 Ų | 125 | 156 Ų | 156 | 77% | 0.767 | 84% | 0.844 | S | S | * | * | cis | -168.8 | 156.2 | 33.9 | -7.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | N | 27.7 | Very low | 33.7 | Very low | 154 Ų | 154 | 162.5 Ų | 162.5 | 82% | 0.824 | 85% | 0.849 | S | S | * | * | trans | 78.6 | 72.3 | 158.2 | -61.6 | -11.8 | 0 | 0 | 0 | 120.1 | ||||
| 4 | M | 34.5 | Very low | 33.8 | Very low | 180 Ų | 180 | 165.3 Ų | 165.3 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | trans | -100.1 | 112.6 | 134.5 | -95.1 | 180 | -91.7 | 0 | 0 | 106.9 | ||||
| 5 | N | 35.8 | Very low | 34.1 | Very low | 164 Ų | 164 | 160.9 Ų | 160.9 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | 165.4 | 87.2 | 153.9 | -86.7 | -19.1 | 0 | 0 | 0 | 111.2 | ||||
| 6 | S | 34.6 | Very low | 34.3 | Very low | 115 Ų | 115 | 156.5 Ų | 156.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -164.6 | 77.1 | 153.6 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 7 | E | 32.6 | Very low | 34.4 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -163.2 | 51.4 | 154.8 | -116.1 | 173.3 | -163.9 | 0 | 0 | 111.1 | T9 | E7-T9 PolarHBondContact O-N 3.4Š| ||
| 8 | N | 31.3 | Very low | 34.9 | Very low | 167 Ų | 167 | 147 Ų | 147 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -89.1 | 62.7 | 158.7 | -82.3 | -20.7 | 0 | 0 | 0 | 108.8 | P10 | N8-P10 WeakPolarHBondContact O-CD 3.38Š| ||
| 9 | T | 35.1 | Very low | 35.6 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | trans | -74.7 | 116.7 | 159.7 | -31.5 | 0 | 0 | 0 | 0 | 105.4 | E7 L11 | E7-T9 PolarHBondContact O-N 3.4Å; T9-L11 PolarHBondContact O-N 3.24Å | ||
| 10 | P | 33.5 | Very low | 36.2 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -65 | 108.4 | 179.5 | 25.7 | -29.8 | 0 | 0 | 0 | 107.3 | N8 L12 | N8-P10 WeakPolarHBondContact O-CD 3.38Å; P10-L12 PolarHBondContact O-N 3.05Å | ||
| 11 | L | 34.7 | Very low | 37.7 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | trans | -37.8 | 116.2 | 164.4 | -78.4 | 160.6 | 0 | 0 | 0 | 107.7 | T9 R13 | T9-L11 PolarHBondContact O-N 3.24Å; L11-R13 PolarHBondContact O-N 3.36Å | ||
| 12 | L | 38.7 | Very low | 39.6 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | trans | -9.7 | 99.9 | 169.8 | -83.7 | 154.3 | 0 | 0 | 0 | 110.4 | P10 R14 | P10-L12 PolarHBondContact O-N 3.05Å; L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 3.16Å | ||
| 13 | R | 31.9 | Very low | 42.2 | Very low | 240 Ų | 240 | 128 Ų | 128 | 91% | 0.906 | 69% | 0.686 | S | S | * | * | trans | -44.4 | 104.9 | 169.5 | -175.1 | 179.5 | -169.6 | 177.1 | 3.7 | 105.7 | L11 T15 | L11-R13 PolarHBondContact O-N 3.36Å; R13-T15 PolarHBondContact O-N 3.13Å | ||
| 14 | R | 35.4 | Very low | 45 | Very low | 202 Ų | 202 | 122.3 Ų | 122.3 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | trans | -32.5 | 121.7 | -177 | -146.3 | 176 | -173 | 168.2 | 0.9 | 107.8 | L12 T16 | L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 3.16Å; R14-T16 HydrophobicContact CB-CG2 4.38Å; R14-T16 HydrophobicContact CG-CG2 3.96Å; R14-T16 PolarHBondContact O-N 2.86Å; R14-T16 PolarHBondContact O-OG1 2.62Å; R14-T16 VanDerWaalsContact O-OG1 3.05Å | ||
| 15 | T | 37.7 | Very low | 47.5 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -65 | 50 | 173.3 | -33.3 | 0 | 0 | 0 | 0 | 110.3 | R13 | R13-T15 PolarHBondContact O-N 3.13Š|
| 16 | T | 37.3 | Very low | 50.2 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 56% | 0.558 | 62% | 0.62 | S | S | * | * | trans | -91.9 | -7.1 | 174.8 | 33.9 | 0 | 0 | 0 | 0 | 111.3 | R14 | R14-T16 HydrophobicContact CB-CG2 4.38Å; R14-T16 HydrophobicContact CG-CG2 3.96Å; R14-T16 PolarHBondContact O-N 2.86Å; R14-T16 PolarHBondContact O-OG1 2.62Å; R14-T16 VanDerWaalsContact O-OG1 3.05Å | ||
| 17 | S | 37.1 | Very low | 52.9 | Low | 98 Ų | 98 | 109.9 Ų | 109.9 | 69% | 0.685 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -88 | -9.3 | 177.9 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | S20 | S17-S20 PolarHBondContact O-OG 3.12Š|
| 18 | S | 42.5 | Very low | 55.7 | Low | 44 Ų | 44 | 107 Ų | 107 | 31% | 0.308 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -96.1 | -3.2 | 178.1 | 66 | 0 | 0 | 0 | 0 | 114.4 | ||
| 19 | L | 48 | Very low | 58.7 | Low | 115 Ų | 115 | 102.6 Ų | 102.6 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -101 | 0.8 | 179.9 | -79.9 | 163.4 | 0 | 0 | 0 | 113.6 | I22 | L19-I22 HydrophobicContact CD2-CD1 4.02Š|
| 20 | S | 49.3 | Very low | 61.4 | Low | 92 Ų | 92 | 97.5 Ų | 97.5 | 64% | 0.643 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 0.4 | -163.1 | 60 | 0 | 0 | 0 | 0 | 117.1 | S17 | S17-S20 PolarHBondContact O-OG 3.12Š|
| 21 | E | 66.1 | Low | 64.2 | Low | 100 Ų | 100 | 91.9 Ų | 91.9 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | 41.4 | 174.9 | -69.3 | -173.5 | 126.9 | 0 | 0 | 113.7 | S23 K231 | E21-S23 PolarHBondContact O-N 3.01Å; E21-K231 HydrophobicContact CB-CB 4.4Å; E21-K231 VanDerWaalsContact CD-CD 3.42Å; E21-K231 WeakPolarHBondContact OE1-CD 3.46Å; E21-K231 IonicContact OE1-NZ 2.77Å; E21-K231 PolarHBondContact OE1-NZ 3.42Å; E21-K231 WeakPolarHBondContact OE2-CB 3.26Å; E21-K231 WeakPolarHBondContact OE2-CD 3.3Å; E21-K231 IonicContact OE2-NZ 3.7Å |
| 22 | I | 78.3 | Confident | 67 | Low | 36 Ų | 36 | 89.4 Ų | 89.4 | 19% | 0.185 | 46% | 0.455 | C | S | . | . | trans | -74.7 | 117.2 | 170.8 | -58.7 | 177.2 | 0 | 0 | 0 | 109.2 | L19 N24 R228 Y232 | L19-I22 HydrophobicContact CD2-CD1 4.02Å; I22-N24 WeakPolarHBondContact CG2-OD1 3.29Å; I22-R228 CarbonylContact C-O 3.59Å; I22-R228 WeakPolarHBondContact CA-O 3.48Å; I22-Y232 HydrophobicContact CD1-CD2 4.14Å; I22-Y232 HydrophobicContact CD1-CE2 3.82Å; I22-Y232 HydrophobicContact CG1-CD2 3.62Å; I22-Y232 HydrophobicContact CG1-CE2 3.84Å; I22-Y232 HydrophobicContact CG1-CG 4.45Å | ||
| 23 | S | 83.6 | Confident | 69.7 | Low | 62 Ų | 62 | 81.8 Ų | 81.8 | 43% | 0.434 | 42% | 0.415 | S | S | . | . | trans | -94.3 | 116.8 | 171.5 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | E21 R228 | E21-S23 PolarHBondContact O-N 3.01Å; S23-R228 PolarHBondContact N-O 3.38Å | ||
| 24 | N | 86.8 | Confident | 72.6 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | trans | -93.1 | -5 | -176.1 | -66.4 | -38.5 | 0 | 0 | 0 | 114.5 | I22 R26 L27 Y28 H152 | I22-N24 WeakPolarHBondContact CG2-OD1 3.29Å; N24-R26 VanDerWaalsContact C-N 3.34Å; N24-R26 PolarHBondContact O-N 3.22Å; N24-L27 WeakPolarHBondContact O-CB 3.4Å; N24-L27 PolarHBondContact O-N 2.94Å; N24-L27 VanDerWaalsContact O-N 3.12Å; N24-Y28 HydrophobicContact CB-CD2 4.19Å; N24-Y28 HydrophobicContact CB-CE1 4.11Å; N24-Y28 HydrophobicContact CB-CE2 3.63Å; N24-Y28 WeakPolarHBondContact O-CD2 3.47Å; N24-Y28 VanDerWaalsContact O-CG 3.31Å; N24-Y28 PolarHBondContact O-N 3.31Å; N24-H152 PolarHBondContact OD1-CE1 2.87Å | ||
| 25 | S | 87.4 | Confident | 75.4 | Confident | 84 Ų | 84 | 61 Ų | 61 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.6 | -47 | -175.3 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | L27 Y28 L29 | S25-L27 PolarHBondContact O-N 3.33Å; S25-Y28 PolarHBondContact O-N 3.24Å; S25-L29 PolarHBondContact O-N 3.45Å |
| 26 | R | 91.4 | Very high | 78.1 | Confident | 114 Ų | 114 | 57 Ų | 57 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67 | -36.1 | 177.8 | -71.4 | 178.7 | -179.9 | 176 | 1.6 | 112.8 | N24 L29 A30 W226 | N24-R26 VanDerWaalsContact C-N 3.34Å; N24-R26 PolarHBondContact O-N 3.22Å; R26-L29 PolarHBondContact O-N 2.76Å; R26-A30 PolarHBondContact O-N 3.46Å; R26-W226 HydrophobicContact CB-CD2 4.21Å; R26-W226 HydrophobicContact CB-CE3 3.9Å; R26-W226 HydrophobicContact CB-CH2 3.69Å; R26-W226 HydrophobicContact CB-CZ2 4.01Å; R26-W226 HydrophobicContact CB-CZ3 3.66Å; R26-W226 WeakPolarHBondContact CB-O 3.12Å; R26-W226 WeakPolarHBondContact CD-O 3.33Å; R26-W226 HydrophobicContact CG-CD2 4.49Å; R26-W226 HydrophobicContact CG-CH2 4.25Å; R26-W226 HydrophobicContact CG-CZ2 4.07Å; R26-W226 WeakPolarHBondContact O-CH2 3.01Å; R26-W226 VanDerWaalsContact O-CZ3 3.3Å; R26-W226 WeakPolarHBondContact O-CZ3 3.34Å |
| 27 | L | 91.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 173.4 | 174 | 63 | 0 | 0 | 0 | 111 | N24 S25 L29 A30 V31 I150 V155 L159 L227 | N24-L27 WeakPolarHBondContact O-CB 3.4Å; N24-L27 PolarHBondContact O-N 2.94Å; N24-L27 VanDerWaalsContact O-N 3.12Å; S25-L27 PolarHBondContact O-N 3.33Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 3.15Å; L27-A30 PolarHBondContact O-N 2.93Å; L27-V31 HydrophobicContact CD1-CG2 4.33Å; L27-V31 WeakPolarHBondContact O-CG2 3.44Å; L27-V31 PolarHBondContact O-N 3.09Å; L27-I150 HydrophobicContact CD1-CB 4.27Å; L27-I150 HydrophobicContact CD1-CD1 4.02Å; L27-I150 HydrophobicContact CD1-CG1 3.82Å; L27-V155 HydrophobicContact CD2-CG2 3.78Å; L27-L159 HydrophobicContact CD1-CD1 4.37Å; L27-L159 HydrophobicContact CD2-CD1 3.78Å; L27-L159 HydrophobicContact CG-CD1 3.93Å; L27-L227 HydrophobicContact CD1-CD2 4.18Å |
| 28 | Y | 92.8 | Very high | 83.5 | Confident | 115 Ų | 115 | 48.5 Ų | 48.5 | 45% | 0.451 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 177.5 | -61.2 | -31.7 | 0 | 0 | 0 | 112.1 | N24 S25 V31 F32 L159 | N24-Y28 HydrophobicContact CB-CD2 4.19Å; N24-Y28 HydrophobicContact CB-CE1 4.11Å; N24-Y28 HydrophobicContact CB-CE2 3.63Å; N24-Y28 WeakPolarHBondContact O-CD2 3.47Å; N24-Y28 VanDerWaalsContact O-CG 3.31Å; N24-Y28 PolarHBondContact O-N 3.31Å; S25-Y28 PolarHBondContact O-N 3.24Å; Y28-V31 PolarHBondContact O-N 2.91Å; Y28-F32 VanDerWaalsContact O-CB 3.28Å; Y28-F32 WeakPolarHBondContact O-CB 3.48Å; Y28-F32 PolarHBondContact O-N 2.97Å; Y28-L159 HydrophobicContact CD1-CD1 4.44Å; Y28-L159 HydrophobicContact CD1-CD2 3.84Å; Y28-L159 HydrophobicContact CE1-CD1 4.34Å; Y28-L159 HydrophobicContact CE1-CD2 3.93Å |
| 29 | L | 92.6 | Very high | 86 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 40% | 0.398 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.7 | -44 | 173.2 | -177 | 61.1 | 0 | 0 | 0 | 111.9 | S25 R26 L27 V31 F32 S33 M204 | S25-L29 PolarHBondContact O-N 3.45Å; R26-L29 PolarHBondContact O-N 2.76Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 3.15Å; L29-V31 PolarHBondContact O-N 3.24Å; L29-F32 PolarHBondContact O-N 3.12Å; L29-S33 WeakPolarHBondContact O-CB 3.35Å; L29-S33 PolarHBondContact O-N 2.95Å; L29-S33 PolarHBondContact O-OG 2.7Å; L29-M204 HydrophobicContact CD2-CE 3.67Å; L29-M204 HydrophobicContact CD2-SD 4.43Å; L29-M204 HydrophobicContact CG-CE 3.75Å; L29-M204 HydrophobicContact CG-SD 4.1Å |
| 30 | A | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R26 L27 A34 I150 M204 W226 L227 | R26-A30 PolarHBondContact O-N 3.46Å; L27-A30 PolarHBondContact O-N 2.93Å; A30-A34 PolarHBondContact O-N 3.01Å; A30-A34 VanDerWaalsContact O-N 3.14Å; A30-I150 HydrophobicContact CB-CD1 3.95Å; A30-M204 WeakPolarHBondContact CA-SD 3.35Å; A30-M204 HydrophobicContact CB-CB 4.42Å; A30-M204 HydrophobicContact CB-CG 4.18Å; A30-M204 HydrophobicContact CB-SD 3.75Å; A30-W226 HydrophobicContact CB-CH2 4.5Å; A30-W226 HydrophobicContact CB-CZ3 4.17Å; A30-L227 HydrophobicContact CB-CD2 4.35Å |
| 31 | V | 93.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.3 | -48.2 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 111 | L27 Y28 L29 S33 A34 V35 I147 I150 L159 C162 | L27-V31 HydrophobicContact CD1-CG2 4.33Å; L27-V31 WeakPolarHBondContact O-CG2 3.44Å; L27-V31 PolarHBondContact O-N 3.09Å; Y28-V31 PolarHBondContact O-N 2.91Å; L29-V31 PolarHBondContact O-N 3.24Å; V31-S33 VanDerWaalsContact C-N 3.3Å; V31-S33 PolarHBondContact O-N 3.46Å; V31-A34 PolarHBondContact O-N 3.29Å; V31-A34 VanDerWaalsContact O-N 3.11Å; V31-V35 HydrophobicContact CG1-CG1 4.1Å; V31-V35 WeakPolarHBondContact O-CG1 3.47Å; V31-V35 WeakPolarHBondContact O-CG2 3.38Å; V31-V35 PolarHBondContact O-N 3.21Å; V31-I147 HydrophobicContact CG1-CD1 3.97Å; V31-I147 HydrophobicContact CG1-CG1 4.2Å; V31-I147 HydrophobicContact CG2-CG1 4.24Å; V31-I147 HydrophobicContact CG2-CG2 4.17Å; V31-I150 HydrophobicContact CG2-CD1 4.03Å; V31-L159 HydrophobicContact CB-CD2 4.46Å; V31-L159 HydrophobicContact CG1-CD2 4.21Å; V31-L159 HydrophobicContact CG2-CB 4.45Å; V31-L159 HydrophobicContact CG2-CD1 4.07Å; V31-L159 HydrophobicContact CG2-CD2 4.28Å; V31-L159 HydrophobicContact CG2-CG 4.49Å; V31-C162 HydrophobicContact CG1-CB 4.2Å |
| 32 | F | 93.4 | Very high | 91.7 | Very high | 112 Ų | 112 | 34.3 Ų | 34.3 | 49% | 0.491 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -54.3 | -47.8 | 177.5 | 178 | -102 | 0 | 0 | 0 | 111.5 | Y28 L29 A34 V35 L36 L200 | Y28-F32 VanDerWaalsContact O-CB 3.28Å; Y28-F32 WeakPolarHBondContact O-CB 3.48Å; Y28-F32 PolarHBondContact O-N 2.97Å; L29-F32 PolarHBondContact O-N 3.12Å; F32-A34 VanDerWaalsContact C-N 3.32Å; F32-A34 PolarHBondContact O-N 2.99Å; F32-V35 VanDerWaalsContact O-CG2 3.3Å; F32-V35 WeakPolarHBondContact O-CG2 3.29Å; F32-V35 PolarHBondContact O-N 3.31Å; F32-L36 HydrophobicContact CE1-CD1 4.46Å; F32-L36 HydrophobicContact CZ-CD2 4.44Å; F32-L36 PolarHBondContact O-N 2.84Å; F32-L200 HydrophobicContact CD1-CD1 4.26Å; F32-L200 HydrophobicContact CE1-CD1 4.11Å |
| 33 | S | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 177.7 | -52.3 | 0 | 0 | 0 | 0 | 112 | L29 V31 M197 L200 | L29-S33 WeakPolarHBondContact O-CB 3.35Å; L29-S33 PolarHBondContact O-N 2.95Å; L29-S33 PolarHBondContact O-OG 2.7Å; V31-S33 VanDerWaalsContact C-N 3.3Å; V31-S33 PolarHBondContact O-N 3.46Å; S33-M197 WeakPolarHBondContact O-CG 3.49Å; S33-L200 WeakPolarHBondContact OG-CB 3.32Å |
| 34 | A | 93.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.4 | -41.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A30 V31 F32 L36 G37 I143 Y146 L201 | A30-A34 PolarHBondContact O-N 3.01Å; A30-A34 VanDerWaalsContact O-N 3.14Å; V31-A34 PolarHBondContact O-N 3.29Å; V31-A34 VanDerWaalsContact O-N 3.11Å; F32-A34 VanDerWaalsContact C-N 3.32Å; F32-A34 PolarHBondContact O-N 2.99Å; A34-L36 PolarHBondContact O-N 3.17Å; A34-G37 PolarHBondContact O-N 3.4Å; A34-G37 VanDerWaalsContact O-N 3.15Å; A34-I143 HydrophobicContact CB-CG2 4.11Å; A34-I143 WeakPolarHBondContact O-CD1 3.47Å; A34-Y146 HydrophobicContact CB-CD1 3.82Å; A34-Y146 HydrophobicContact CB-CE1 4.05Å; A34-L201 HydrophobicContact CB-CD2 4.28Å |
| 35 | V | 94.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 4% | 0.036 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.4 | -14.5 | -174.8 | -62.4 | 0 | 0 | 0 | 0 | 114.1 | V31 F32 G37 N38 F39 I143 I147 C162 P163 T166 | V31-V35 HydrophobicContact CG1-CG1 4.1Å; V31-V35 WeakPolarHBondContact O-CG1 3.47Å; V31-V35 WeakPolarHBondContact O-CG2 3.38Å; V31-V35 PolarHBondContact O-N 3.21Å; F32-V35 VanDerWaalsContact O-CG2 3.3Å; F32-V35 WeakPolarHBondContact O-CG2 3.29Å; F32-V35 PolarHBondContact O-N 3.31Å; V35-G37 PolarHBondContact O-N 2.9Å; V35-G37 VanDerWaalsContact O-N 3.15Å; V35-N38 WeakPolarHBondContact O-CA 3.34Å; V35-N38 WeakPolarHBondContact O-CB 3.5Å; V35-N38 PolarHBondContact O-N 3.39Å; V35-F39 PolarHBondContact O-N 3.08Å; V35-I143 HydrophobicContact CG1-CG2 4.24Å; V35-I147 HydrophobicContact CG1-CD1 3.66Å; V35-C162 HydrophobicContact CG1-CB 3.96Å; V35-P163 HydrophobicContact CG1-CG 4.24Å; V35-T166 HydrophobicContact CB-CG2 4.06Å; V35-T166 HydrophobicContact CG2-CG2 4.04Å; V35-T166 WeakPolarHBondContact CG2-OG1 3.41Å; V35-T166 WeakPolarHBondContact O-CG2 3.3Å |
| 36 | L | 94.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 24.6 Ų | 24.6 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.2 | -26.2 | 168.1 | -70.2 | 175.1 | 0 | 0 | 0 | 112.8 | F32 A34 F39 N40 L196 M197 L200 | F32-L36 HydrophobicContact CE1-CD1 4.46Å; F32-L36 HydrophobicContact CZ-CD2 4.44Å; F32-L36 PolarHBondContact O-N 2.84Å; A34-L36 PolarHBondContact O-N 3.17Å; L36-F39 VanDerWaalsContact O-CB 3.3Å; L36-F39 WeakPolarHBondContact O-CB 3.38Å; L36-F39 PolarHBondContact O-N 2.64Å; L36-N40 PolarHBondContact O-N 2.93Å; L36-L196 HydrophobicContact CD1-CB 4.26Å; L36-L196 HydrophobicContact CD1-CD2 3.89Å; L36-L196 HydrophobicContact CD1-CG 3.77Å; L36-M197 HydrophobicContact CB-CB 3.77Å; L36-M197 HydrophobicContact CB-CG 4.14Å; L36-M197 HydrophobicContact CD1-CB 4.4Å; L36-L200 HydrophobicContact CD1-CD1 3.88Å |
| 37 | G | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.9 | -37.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A34 V35 F39 N40 F41 M197 | A34-G37 PolarHBondContact O-N 3.4Å; A34-G37 VanDerWaalsContact O-N 3.15Å; V35-G37 PolarHBondContact O-N 2.9Å; V35-G37 VanDerWaalsContact O-N 3.15Å; G37-F39 VanDerWaalsContact C-N 3.34Å; G37-N40 WeakPolarHBondContact O-CB 3.23Å; G37-N40 PolarHBondContact O-N 3.46Å; G37-F41 PolarHBondContact O-N 3.02Å; G37-M197 WeakPolarHBondContact CA-SD 3.47Å; G37-M197 PolarHBondContact N-SD 3.3Å |
| 38 | N | 93.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 19.1 Ų | 19.1 | 5% | 0.048 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.6 | -33.4 | 173.5 | -72.5 | -74.7 | 0 | 0 | 0 | 111.9 | V35 N40 F41 G42 I143 P163 A167 | V35-N38 WeakPolarHBondContact O-CA 3.34Å; V35-N38 WeakPolarHBondContact O-CB 3.5Å; V35-N38 PolarHBondContact O-N 3.39Å; N38-N40 VanDerWaalsContact C-N 3.29Å; N38-N40 PolarHBondContact O-N 3.33Å; N38-F41 WeakPolarHBondContact O-CB 3.49Å; N38-F41 PolarHBondContact O-N 3.38Å; N38-G42 PolarHBondContact O-N 2.91Å; N38-I143 WeakPolarHBondContact ND2-CD1 3.47Å; N38-I143 WeakPolarHBondContact ND2-CG2 3.25Å; N38-P163 VanDerWaalsContact CB-O 3.32Å; N38-P163 WeakPolarHBondContact CB-O 3.45Å; N38-P163 WeakPolarHBondContact ND2-CB 3.46Å; N38-A167 HydrophobicContact CB-CB 4.29Å; N38-A167 VanDerWaalsContact O-CA 3.23Å; N38-A167 WeakPolarHBondContact O-CA 3.35Å; N38-A167 WeakPolarHBondContact O-CB 3.47Å |
| 39 | F | 95.6 | Very high | 94 | Very high | 23 Ų | 23 | 13.7 Ų | 13.7 | 10% | 0.101 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -54.1 | -51.5 | 170.6 | -177.9 | -84.5 | 0 | 0 | 0 | 109.9 | V35 L36 G37 F41 G42 Y43 T166 F169 T173 P193 | V35-F39 PolarHBondContact O-N 3.08Å; L36-F39 VanDerWaalsContact O-CB 3.3Å; L36-F39 WeakPolarHBondContact O-CB 3.38Å; L36-F39 PolarHBondContact O-N 2.64Å; G37-F39 VanDerWaalsContact C-N 3.34Å; F39-F41 PolarHBondContact O-N 3.24Å; F39-G42 PolarHBondContact O-N 3.46Å; F39-Y43 AromaticContact CE1-CD2 3.99Å; F39-Y43 HydrophobicContact CE1-CD2 3.99Å; F39-Y43 HydrophobicContact CE1-CG 4.49Å; F39-Y43 HydrophobicContact CZ-CD2 4.4Å; F39-Y43 WeakPolarHBondContact O-CB 3.34Å; F39-Y43 PolarHBondContact O-N 3.2Å; F39-T166 HydrophobicContact CB-CG2 3.76Å; F39-F169 AromaticContact CD2-CD1 3.76Å; F39-F169 HydrophobicContact CD2-CD1 3.76Å; F39-F169 HydrophobicContact CD2-CE1 4.35Å; F39-F169 AromaticContact CE2-CD1 3.59Å; F39-F169 HydrophobicContact CE2-CD1 3.59Å; F39-F169 AromaticContact CE2-CE1 3.84Å; F39-F169 HydrophobicContact CE2-CE1 3.84Å; F39-F169 HydrophobicContact CE2-CG 4.49Å; F39-T173 HydrophobicContact CE2-CG2 4.47Å; F39-T173 WeakPolarHBondContact CE2-OG1 3.09Å; F39-T173 HydrophobicContact CZ-CG2 3.79Å; F39-P193 HydrophobicContact CD1-CB 3.72Å; F39-P193 HydrophobicContact CD1-CG 3.71Å; F39-P193 HydrophobicContact CE1-CB 4.11Å; F39-P193 HydrophobicContact CE1-CG 3.77Å |
| 40 | N | 94.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 10.1 Ų | 10.1 | 4% | 0.043 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 177.9 | -93 | -32.9 | 0 | 0 | 0 | 113.6 | L36 G37 N38 G42 Y43 S44 Y113 G190 P193 A194 | L36-N40 PolarHBondContact O-N 2.93Å; G37-N40 WeakPolarHBondContact O-CB 3.23Å; G37-N40 PolarHBondContact O-N 3.46Å; N38-N40 VanDerWaalsContact C-N 3.29Å; N38-N40 PolarHBondContact O-N 3.33Å; N40-G42 VanDerWaalsContact C-N 3.34Å; N40-G42 PolarHBondContact O-N 3.34Å; N40-Y43 PolarHBondContact O-N 3.12Å; N40-S44 VanDerWaalsContact O-CB 3.28Å; N40-S44 WeakPolarHBondContact O-CB 3.37Å; N40-S44 PolarHBondContact O-N 3.38Å; N40-S44 PolarHBondContact O-OG 2.95Å; N40-Y113 PolarHBondContact OD1-OH 3.38Å; N40-G190 PolarHBondContact OD1-O 3.29Å; N40-G190 VanDerWaalsContact OD1-O 3.07Å; N40-P193 VanDerWaalsContact OD1-CG 3.28Å; N40-P193 WeakPolarHBondContact OD1-CG 3.17Å; N40-A194 WeakPolarHBondContact ND2-CA 3.36Å; N40-A194 VanDerWaalsContact ND2-CB 3.26Å; N40-A194 WeakPolarHBondContact ND2-CB 3.22Å; N40-A194 PolarHBondContact ND2-N 3.32Å |
| 41 | F | 94.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 10.1 Ų | 10.1 | 9% | 0.092 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -56 | -48.4 | 173.9 | 164.6 | -95.5 | 0 | 0 | 0 | 111.7 | G37 N38 F39 L45 Y78 G136 A140 A167 W426 | G37-F41 PolarHBondContact O-N 3.02Å; N38-F41 WeakPolarHBondContact O-CB 3.49Å; N38-F41 PolarHBondContact O-N 3.38Å; F39-F41 PolarHBondContact O-N 3.24Å; F41-L45 VanDerWaalsContact O-CB 3.29Å; F41-L45 WeakPolarHBondContact O-CB 3.5Å; F41-L45 PolarHBondContact O-N 3.3Å; F41-Y78 WeakPolarHBondContact CD2-OH 3.43Å; F41-Y78 HydrophobicContact CE2-CE1 4.4Å; F41-Y78 WeakPolarHBondContact CE2-OH 3.4Å; F41-Y78 PolarHBondContact O-OH 3.16Å; F41-Y78 VanDerWaalsContact O-OH 3.1Å; F41-G136 WeakPolarHBondContact CD2-O 3.46Å; F41-A140 HydrophobicContact CD2-CB 4.36Å; F41-A140 HydrophobicContact CE2-CB 4.41Å; F41-A167 HydrophobicContact CD1-CB 3.97Å; F41-A167 HydrophobicContact CE1-CB 4.43Å; F41-W426 AromaticContact CE2-CH2 3.43Å; F41-W426 HydrophobicContact CE2-CH2 3.43Å; F41-W426 VanDerWaalsContact CE2-CH2 3.43Å; F41-W426 AromaticContact CE2-CZ2 3.31Å; F41-W426 HydrophobicContact CE2-CZ2 3.31Å; F41-W426 AromaticContact CZ-CH2 3.39Å; F41-W426 HydrophobicContact CZ-CH2 3.39Å; F41-W426 AromaticContact CZ-CZ2 3.39Å; F41-W426 HydrophobicContact CZ-CZ2 3.39Å |
| 42 | G | 93.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -70.5 | -33.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N38 F39 N40 V46 A167 T171 | N38-G42 PolarHBondContact O-N 2.91Å; F39-G42 PolarHBondContact O-N 3.46Å; N40-G42 VanDerWaalsContact C-N 3.34Å; N40-G42 PolarHBondContact O-N 3.34Å; G42-V46 VanDerWaalsContact O-CG2 3.26Å; G42-V46 WeakPolarHBondContact O-CG2 3.42Å; G42-A167 WeakPolarHBondContact CA-O 3.32Å; G42-T171 PolarHBondContact O-OG1 3.45Å |
| 43 | Y | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.008 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.2 | -52.9 | 174.3 | -170.6 | -82.6 | 0 | 0 | 0 | 110.9 | F39 N40 L45 Y47 Y113 L174 L177 L186 | F39-Y43 AromaticContact CE1-CD2 3.99Å; F39-Y43 HydrophobicContact CE1-CD2 3.99Å; F39-Y43 HydrophobicContact CE1-CG 4.49Å; F39-Y43 HydrophobicContact CZ-CD2 4.4Å; F39-Y43 WeakPolarHBondContact O-CB 3.34Å; F39-Y43 PolarHBondContact O-N 3.2Å; N40-Y43 PolarHBondContact O-N 3.12Å; Y43-L45 PolarHBondContact O-N 3.25Å; Y43-Y47 HydrophobicContact CE1-CD2 4.4Å; Y43-Y47 PolarHBondContact O-N 3.09Å; Y43-Y113 HydrophobicContact CD1-CE1 4.15Å; Y43-Y113 VanDerWaalsContact CD1-OH 3.31Å; Y43-Y113 WeakPolarHBondContact CD1-OH 3.41Å; Y43-Y113 HydrophobicContact CE1-CE1 4.29Å; Y43-L174 HydrophobicContact CD1-CD1 4.18Å; Y43-L174 HydrophobicContact CD2-CB 3.64Å; Y43-L174 HydrophobicContact CD2-CD1 4.37Å; Y43-L174 HydrophobicContact CE1-CD1 3.6Å; Y43-L174 HydrophobicContact CE2-CB 3.67Å; Y43-L174 HydrophobicContact CE2-CD1 3.8Å; Y43-L174 HydrophobicContact CE2-CG 4.32Å; Y43-L174 HydrophobicContact CG-CB 4.11Å; Y43-L174 WeakPolarHBondContact O-CD2 3.3Å; Y43-L174 WeakPolarHBondContact OH-CD1 3.48Å; Y43-L177 HydrophobicContact CE2-CD1 4.18Å; Y43-L186 PolarHBondContact OH-O 3.31Å |
| 44 | S | 95.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.014 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | -179.8 | -74.5 | 0 | 0 | 0 | 0 | 112.6 | N40 V46 Y47 Y78 Y113 R129 | N40-S44 VanDerWaalsContact O-CB 3.28Å; N40-S44 WeakPolarHBondContact O-CB 3.37Å; N40-S44 PolarHBondContact O-N 3.38Å; N40-S44 PolarHBondContact O-OG 2.95Å; S44-V46 VanDerWaalsContact C-N 3.32Å; S44-V46 PolarHBondContact O-N 3.46Å; S44-Y47 VanDerWaalsContact O-CB 3.31Å; S44-Y47 WeakPolarHBondContact O-CB 3.4Å; S44-Y47 PolarHBondContact O-N 3.42Å; S44-Y78 VanDerWaalsContact CB-CE2 3.49Å; S44-Y113 PolarHBondContact OG-OH 2.94Å; S44-R129 PolarHBondContact O-NH1 3.33Å |
| 45 | L | 94.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 9.6 Ų | 9.6 | 5% | 0.047 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -54.3 | -48.2 | -177.5 | 176 | 65.1 | 0 | 0 | 0 | 112.2 | F41 Y43 P48 Y78 T281 W426 | F41-L45 VanDerWaalsContact O-CB 3.29Å; F41-L45 WeakPolarHBondContact O-CB 3.5Å; F41-L45 PolarHBondContact O-N 3.3Å; Y43-L45 PolarHBondContact O-N 3.25Å; L45-P48 WeakPolarHBondContact O-CD 3.34Å; L45-Y78 HydrophobicContact CB-CE1 3.98Å; L45-Y78 HydrophobicContact CD1-CD1 3.72Å; L45-Y78 HydrophobicContact CD1-CE1 3.55Å; L45-Y78 HydrophobicContact CG-CE1 4.38Å; L45-T281 HydrophobicContact CD1-CG2 4.32Å; L45-W426 HydrophobicContact CD1-CH2 4.44Å; L45-W426 HydrophobicContact CD1-CZ3 4.2Å |
| 46 | V | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -95.5 | 4.9 | -173.7 | -63.8 | 0 | 0 | 0 | 0 | 114 | G42 S44 P48 S49 T171 L174 Y175 L284 | G42-V46 VanDerWaalsContact O-CG2 3.26Å; G42-V46 WeakPolarHBondContact O-CG2 3.42Å; S44-V46 VanDerWaalsContact C-N 3.32Å; S44-V46 PolarHBondContact O-N 3.46Å; V46-P48 VanDerWaalsContact O-N 3.14Å; V46-S49 WeakPolarHBondContact O-CB 3.37Å; V46-S49 PolarHBondContact O-N 3.39Å; V46-T171 HydrophobicContact CB-CG2 4.24Å; V46-T171 HydrophobicContact CG1-CG2 3.92Å; V46-T171 HydrophobicContact CG2-CG2 3.53Å; V46-L174 HydrophobicContact CB-CD2 4.26Å; V46-L174 HydrophobicContact CG2-CB 4.41Å; V46-L174 HydrophobicContact CG2-CD2 3.54Å; V46-L174 WeakPolarHBondContact O-CD2 3.39Å; V46-Y175 HydrophobicContact CB-CE1 3.85Å; V46-Y175 WeakPolarHBondContact CG1-OH 2.87Å; V46-Y175 HydrophobicContact CG2-CE1 4.01Å; V46-L284 HydrophobicContact CG1-CB 3.89Å |
| 47 | Y | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -39 | 174.7 | -171.6 | -85.1 | 0 | 0 | 0 | 114.6 | Y43 S44 S49 P50 V51 F74 M116 L174 W183 L186 A187 | Y43-Y47 HydrophobicContact CE1-CD2 4.4Å; Y43-Y47 PolarHBondContact O-N 3.09Å; S44-Y47 VanDerWaalsContact O-CB 3.31Å; S44-Y47 WeakPolarHBondContact O-CB 3.4Å; S44-Y47 PolarHBondContact O-N 3.42Å; Y47-S49 VanDerWaalsContact C-N 3.26Å; Y47-S49 PolarHBondContact O-N 3.15Å; Y47-P50 WeakPolarHBondContact O-CD 3.46Å; Y47-V51 HydrophobicContact CD1-CB 4.4Å; Y47-V51 HydrophobicContact CD1-CG2 3.98Å; Y47-V51 HydrophobicContact CE1-CB 4.07Å; Y47-V51 HydrophobicContact CE1-CG1 4.04Å; Y47-V51 HydrophobicContact CE1-CG2 3.55Å; Y47-V51 HydrophobicContact CE2-CG2 4.42Å; Y47-V51 VanDerWaalsContact O-CG2 3.27Å; Y47-V51 WeakPolarHBondContact O-CG2 3.32Å; Y47-F74 HydrophobicContact CD1-CZ 4.1Å; Y47-F74 HydrophobicContact CE1-CZ 4.07Å; Y47-M116 HydrophobicContact CD1-CE 3.22Å; Y47-M116 HydrophobicContact CD2-CE 4.2Å; Y47-M116 HydrophobicContact CE1-CE 3.06Å; Y47-M116 HydrophobicContact CE2-CE 4.07Å; Y47-M116 HydrophobicContact CG-CE 3.8Å; Y47-L174 HydrophobicContact CD2-CD1 4.06Å; Y47-W183 PolarHBondContact OH-O 2.93Å; Y47-L186 HydrophobicContact CE2-CB 3.86Å; Y47-A187 HydrophobicContact CE2-CB 4.2Å |
| 48 | P | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -27.3 | 179.3 | -24 | 36 | 0 | 0 | 0 | 114.5 | L45 V46 V51 L52 F74 R129 V285 | L45-P48 WeakPolarHBondContact O-CD 3.34Å; V46-P48 VanDerWaalsContact O-N 3.14Å; P48-V51 PolarHBondContact O-N 3.08Å; P48-V51 VanDerWaalsContact O-N 3.16Å; P48-L52 HydrophobicContact CB-CD1 3.65Å; P48-L52 HydrophobicContact CB-CG 3.92Å; P48-L52 WeakPolarHBondContact O-CB 3.37Å; P48-L52 VanDerWaalsContact O-CG 3.25Å; P48-L52 WeakPolarHBondContact O-CG 3.45Å; P48-L52 PolarHBondContact O-N 2.86Å; P48-F74 HydrophobicContact CB-CD1 3.98Å; P48-F74 HydrophobicContact CB-CE1 3.91Å; P48-F74 HydrophobicContact CG-CD1 4.29Å; P48-F74 HydrophobicContact CG-CE1 4.17Å; P48-R129 VanDerWaalsContact CG-CZ 3.49Å; P48-V285 HydrophobicContact CB-CG1 3.92Å; P48-V285 HydrophobicContact CG-CG1 4.02Å |
| 49 | S | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.6 | -57.5 | -174.4 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | V46 Y47 V51 P53 V285 E288 | V46-S49 WeakPolarHBondContact O-CB 3.37Å; V46-S49 PolarHBondContact O-N 3.39Å; Y47-S49 VanDerWaalsContact C-N 3.26Å; Y47-S49 PolarHBondContact O-N 3.15Å; S49-V51 PolarHBondContact O-N 3.4Å; S49-P53 WeakPolarHBondContact O-CD 2.99Å; S49-V285 WeakPolarHBondContact CA-O 3.43Å; S49-V285 PolarHBondContact N-O 2.84Å; S49-E288 WeakPolarHBondContact OG-CB 3.46Å; S49-E288 WeakPolarHBondContact OG-CG 3.44Å; S49-E288 PolarHBondContact OG-N 3.39Å; S49-E288 VanDerWaalsContact OG-N 3.15Å; S49-E288 PolarHBondContact OG-OE1 3.48Å |
| 50 | P | 90.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -75.5 | -10 | 178.7 | 27.2 | -34.8 | 0 | 0 | 0 | 115 | Y47 L174 L186 E288 | Y47-P50 WeakPolarHBondContact O-CD 3.46Å; P50-L174 HydrophobicContact CG-CG 4.37Å; P50-L186 HydrophobicContact CB-CD1 4.45Å; P50-L186 HydrophobicContact CG-CD1 4.23Å; P50-E288 VanDerWaalsContact CA-CD 3.48Å; P50-E288 WeakPolarHBondContact CA-OE1 3.42Å; P50-E288 WeakPolarHBondContact CA-OE2 3.49Å; P50-E288 VanDerWaalsContact CB-OE1 3.23Å; P50-E288 WeakPolarHBondContact CB-OE1 3.06Å; P50-E288 WeakPolarHBondContact CD-OE1 3.41Å; P50-E288 VanDerWaalsContact N-OE1 3.08Å |
| 51 | V | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -103.9 | -36.3 | -170.8 | -179.7 | 0 | 0 | 0 | 0 | 112 | Y47 P48 S49 K54 L55 F74 W183 L186 | Y47-V51 HydrophobicContact CD1-CB 4.4Å; Y47-V51 HydrophobicContact CD1-CG2 3.98Å; Y47-V51 HydrophobicContact CE1-CB 4.07Å; Y47-V51 HydrophobicContact CE1-CG1 4.04Å; Y47-V51 HydrophobicContact CE1-CG2 3.55Å; Y47-V51 HydrophobicContact CE2-CG2 4.42Å; Y47-V51 VanDerWaalsContact O-CG2 3.27Å; Y47-V51 WeakPolarHBondContact O-CG2 3.32Å; P48-V51 PolarHBondContact O-N 3.08Å; P48-V51 VanDerWaalsContact O-N 3.16Å; S49-V51 PolarHBondContact O-N 3.4Å; V51-K54 PolarHBondContact O-N 3.18Å; V51-K54 VanDerWaalsContact O-N 3.14Å; V51-L55 HydrophobicContact CG1-CD1 3.56Å; V51-L55 HydrophobicContact CG1-CG 3.87Å; V51-L55 PolarHBondContact O-N 3.41Å; V51-F74 HydrophobicContact CB-CE1 4.43Å; V51-F74 HydrophobicContact CG1-CE1 4.19Å; V51-F74 HydrophobicContact CG1-CZ 4.17Å; V51-W183 HydrophobicContact CB-CB 4.38Å; V51-W183 HydrophobicContact CG1-CB 4.03Å; V51-W183 HydrophobicContact CG1-CD2 4.44Å; V51-W183 HydrophobicContact CG1-CE3 4.42Å; V51-W183 HydrophobicContact CG1-CG 4.31Å; V51-W183 HydrophobicContact CG2-CB 3.71Å; V51-L186 HydrophobicContact CG2-CD1 4.4Å |
| 52 | L | 90.7 | Very high | 88 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.4 | -52.3 | 179.3 | -82.6 | 169.5 | 0 | 0 | 0 | 112 | P48 K54 L55 T56 L66 A71 F74 Y286 P289 | P48-L52 HydrophobicContact CB-CD1 3.65Å; P48-L52 HydrophobicContact CB-CG 3.92Å; P48-L52 WeakPolarHBondContact O-CB 3.37Å; P48-L52 VanDerWaalsContact O-CG 3.25Å; P48-L52 WeakPolarHBondContact O-CG 3.45Å; P48-L52 PolarHBondContact O-N 2.86Å; L52-K54 PolarHBondContact O-N 3.19Å; L52-K54 VanDerWaalsContact O-N 3.11Å; L52-L55 PolarHBondContact O-N 2.95Å; L52-T56 WeakPolarHBondContact O-CG2 3.23Å; L52-T56 PolarHBondContact O-N 3.43Å; L52-T56 PolarHBondContact O-OG1 2.66Å; L52-L66 HydrophobicContact CD2-CD1 4.04Å; L52-A71 HydrophobicContact CD2-CB 3.78Å; L52-F74 HydrophobicContact CD2-CD1 3.74Å; L52-F74 HydrophobicContact CD2-CE1 4.5Å; L52-F74 HydrophobicContact CG-CD1 4.03Å; L52-F74 HydrophobicContact CG-CE1 4.43Å; L52-Y286 HydrophobicContact CD1-CD1 3.44Å; L52-Y286 VanDerWaalsContact CD1-CD1 3.44Å; L52-Y286 HydrophobicContact CD1-CE1 3.42Å; L52-Y286 VanDerWaalsContact CD1-CE1 3.42Å; L52-P289 HydrophobicContact CB-CG 4.23Å |
| 53 | P | 87.8 | Confident | 87.4 | Confident | 47 Ų | 47 | 40 Ų | 40 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.4 | -33.3 | 178.5 | -24.9 | 34.1 | 0 | 0 | 0 | 113.3 | S49 S57 E288 P289 | S49-P53 WeakPolarHBondContact O-CD 2.99Å; P53-S57 WeakPolarHBondContact O-CB 3.48Å; P53-S57 PolarHBondContact O-N 3.17Å; P53-E288 HydrophobicContact CG-CB 4.24Å; P53-P289 HydrophobicContact CG-CG 4.15Å |
| 54 | K | 87.8 | Confident | 86.9 | Confident | 49 Ų | 49 | 40 Ų | 40 | 21% | 0.213 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.1 | -38.4 | 178.8 | -62.2 | -179.8 | -176.2 | 174 | 0 | 111.8 | V51 L52 S57 | V51-K54 PolarHBondContact O-N 3.18Å; V51-K54 VanDerWaalsContact O-N 3.14Å; L52-K54 PolarHBondContact O-N 3.19Å; L52-K54 VanDerWaalsContact O-N 3.11Å; K54-S57 PolarHBondContact O-OG 3Å |
| 55 | L | 88 | Confident | 86.5 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -83.3 | -18.9 | -179.4 | -67.2 | -177.9 | 0 | 0 | 0 | 113.9 | V51 L52 L64 R65 L66 F74 L125 W183 | V51-L55 HydrophobicContact CG1-CD1 3.56Å; V51-L55 HydrophobicContact CG1-CG 3.87Å; V51-L55 PolarHBondContact O-N 3.41Å; L52-L55 PolarHBondContact O-N 2.95Å; L55-L64 HydrophobicContact CD2-CB 4.35Å; L55-R65 VanDerWaalsContact O-CA 3.29Å; L55-R65 WeakPolarHBondContact O-CA 3.45Å; L55-L66 HydrophobicContact CB-CD1 3.68Å; L55-L66 HydrophobicContact CB-CG 4.09Å; L55-L66 HydrophobicContact CD1-CD1 3.76Å; L55-L66 HydrophobicContact CD1-CG 4.48Å; L55-L66 HydrophobicContact CG-CD1 4.4Å; L55-L66 PolarHBondContact O-N 3.28Å; L55-F74 HydrophobicContact CD1-CZ 4.41Å; L55-L125 HydrophobicContact CD1-CD1 3.9Å; L55-W183 HydrophobicContact CD2-CZ2 4.17Å |
| 56 | T | 85.9 | Confident | 86.2 | Confident | 66 Ų | 66 | 46 Ų | 46 | 41% | 0.405 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -94.4 | -8 | 173.3 | 58 | 0 | 0 | 0 | 0 | 112.7 | L52 L66 A71 | L52-T56 WeakPolarHBondContact O-CG2 3.23Å; L52-T56 PolarHBondContact O-N 3.43Å; L52-T56 PolarHBondContact O-OG1 2.66Å; T56-L66 HydrophobicContact CG2-CB 4.18Å; T56-A71 HydrophobicContact CG2-CB 4.24Å |
| 57 | S | 83.4 | Confident | 85.9 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 22% | 0.217 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -66 | 149.4 | -179.6 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | P53 K54 D59 A60 | P53-S57 WeakPolarHBondContact O-CB 3.48Å; P53-S57 PolarHBondContact O-N 3.17Å; K54-S57 PolarHBondContact O-OG 3Å; S57-D59 PolarHBondContact O-N 3.15Å; S57-A60 VanDerWaalsContact O-CB 3.27Å; S57-A60 WeakPolarHBondContact O-CB 3.32Å; S57-A60 PolarHBondContact O-N 2.99Å |
| 58 | P | 74.3 | Confident | 85.4 | Confident | 110 Ų | 110 | 54.1 Ų | 54.1 | 71% | 0.714 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.5 | 175.2 | -22.5 | 33.5 | 0 | 0 | 0 | 113.3 | A60 | P58-A60 VanDerWaalsContact C-N 3.29Å; P58-A60 PolarHBondContact O-N 3.28Å |
| 59 | D | 74.7 | Confident | 85.2 | Confident | 156 Ų | 156 | 58.2 Ų | 58.2 | 83% | 0.834 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 1.5 | -178.3 | -54.2 | -40.1 | 0 | 0 | 0 | 113.5 | S57 | S57-D59 PolarHBondContact O-N 3.15Š|
| 60 | A | 79.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -68.5 | 151.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | S57 P58 P62 R65 | S57-A60 VanDerWaalsContact O-CB 3.27Å; S57-A60 WeakPolarHBondContact O-CB 3.32Å; S57-A60 PolarHBondContact O-N 2.99Å; P58-A60 VanDerWaalsContact C-N 3.29Å; P58-A60 PolarHBondContact O-N 3.28Å; A60-P62 WeakPolarHBondContact O-CD 3.4Å; A60-P62 VanDerWaalsContact O-N 3.15Å; A60-R65 HydrophobicContact CB-CB 4.31Å; A60-R65 HydrophobicContact CB-CG 4.33Å |
| 61 | D | 80.7 | Confident | 85.1 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | trans | -52.4 | 123.1 | 170.9 | -177 | -29.1 | 0 | 0 | 0 | 108.7 | R63 L64 R65 | D61-R63 PolarHBondContact O-N 3.45Å; D61-R63 WeakPolarHBondContact OD1-CB 3.46Å; D61-R63 PolarHBondContact OD1-N 2.97Å; D61-R63 IonicContact OD1-NE 3.42Å; D61-R63 PolarHBondContact OD1-NE 3.45Å; D61-R63 IonicContact OD1-NH2 3.99Å; D61-R63 IonicContact OD2-CZ 3.86Å; D61-R63 IonicContact OD2-NE 3.63Å; D61-R63 IonicContact OD2-NH2 3.27Å; D61-R63 PolarHBondContact OD2-NH2 3.4Å; D61-L64 HydrophobicContact CB-CB 4.46Å; D61-L64 CarbonylContact O-C 3.59Å; D61-L64 PolarHBondContact O-N 3.19Å; D61-R65 PolarHBondContact O-N 2.89Å | ||
| 62 | P | 78.1 | Confident | 85.1 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 73% | 0.734 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -26.5 | -176.7 | -28.3 | 34.1 | 0 | 0 | 0 | 114.1 | A60 | A60-P62 WeakPolarHBondContact O-CD 3.4Å; A60-P62 VanDerWaalsContact O-N 3.15Å |
| 63 | R | 82.2 | Confident | 85.3 | Confident | 167 Ų | 167 | 65.5 Ų | 65.5 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -18.2 | 179.3 | -62 | 175.2 | -66.5 | 179.9 | 2.3 | 114 | D61 | D61-R63 PolarHBondContact O-N 3.45Å; D61-R63 WeakPolarHBondContact OD1-CB 3.46Å; D61-R63 PolarHBondContact OD1-N 2.97Å; D61-R63 IonicContact OD1-NE 3.42Å; D61-R63 PolarHBondContact OD1-NE 3.45Å; D61-R63 IonicContact OD1-NH2 3.99Å; D61-R63 IonicContact OD2-CZ 3.86Å; D61-R63 IonicContact OD2-NE 3.63Å; D61-R63 IonicContact OD2-NH2 3.27Å; D61-R63 PolarHBondContact OD2-NH2 3.4Å |
| 64 | L | 84.8 | Confident | 85.5 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -0.6 | -176.4 | -64.3 | 175.2 | 0 | 0 | 0 | 112.8 | L55 D61 L66 A119 L125 W183 | L55-L64 HydrophobicContact CD2-CB 4.35Å; D61-L64 HydrophobicContact CB-CB 4.46Å; D61-L64 CarbonylContact O-C 3.59Å; D61-L64 PolarHBondContact O-N 3.19Å; L64-L66 PolarHBondContact O-N 3.44Å; L64-A119 HydrophobicContact CD2-CB 4.49Å; L64-L125 HydrophobicContact CD2-CD1 4.14Å; L64-W183 HydrophobicContact CD1-CH2 4.19Å; L64-W183 HydrophobicContact CD1-CZ2 4.03Å |
| 65 | R | 87.7 | Confident | 85.8 | Confident | 129 Ų | 129 | 61 Ų | 61 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 127.7 | 176.8 | -167.2 | 173.7 | 70.1 | 172.6 | 3.8 | 109.9 | L55 A60 D61 | L55-R65 VanDerWaalsContact O-CA 3.29Å; L55-R65 WeakPolarHBondContact O-CA 3.45Å; A60-R65 HydrophobicContact CB-CB 4.31Å; A60-R65 HydrophobicContact CB-CG 4.33Å; D61-R65 PolarHBondContact O-N 2.89Å |
| 66 | L | 87.1 | Confident | 86.1 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 124.8 | -176.7 | -70.2 | 169.6 | 0 | 0 | 0 | 111.1 | L52 L55 T56 L64 Q70 A71 F74 L122 | L52-L66 HydrophobicContact CD2-CD1 4.04Å; L55-L66 HydrophobicContact CB-CD1 3.68Å; L55-L66 HydrophobicContact CB-CG 4.09Å; L55-L66 HydrophobicContact CD1-CD1 3.76Å; L55-L66 HydrophobicContact CD1-CG 4.48Å; L55-L66 HydrophobicContact CG-CD1 4.4Å; L55-L66 PolarHBondContact O-N 3.28Å; T56-L66 HydrophobicContact CG2-CB 4.18Å; L64-L66 PolarHBondContact O-N 3.44Å; L66-Q70 HydrophobicContact CB-CB 4.38Å; L66-Q70 HydrophobicContact CD2-CB 3.65Å; L66-A71 HydrophobicContact CB-CB 4.31Å; L66-F74 HydrophobicContact CD1-CB 4.18Å; L66-F74 HydrophobicContact CD1-CD1 4.28Å; L66-F74 HydrophobicContact CD1-CG 4.17Å; L66-L122 HydrophobicContact CD2-CD2 3.57Å; L66-L122 HydrophobicContact CG-CD2 4.33Å |
| 67 | D | 87.3 | Confident | 86.6 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 160.9 | 163.9 | -68.4 | -26.7 | 0 | 0 | 0 | 110.9 | N69 Q70 A71 | D67-N69 VanDerWaalsContact C-N 3.28Å; D67-N69 PolarHBondContact O-N 3.27Å; D67-Q70 HydrophobicContact CB-CB 4.49Å; D67-Q70 HydrophobicContact CB-CG 4.18Å; D67-Q70 CarbonylContact O-C 3.55Å; D67-Q70 WeakPolarHBondContact O-CA 3.29Å; D67-Q70 WeakPolarHBondContact O-CB 3.44Å; D67-Q70 PolarHBondContact O-N 3.23Å; D67-A71 PolarHBondContact O-N 3.39Å |
| 68 | P | 85.2 | Confident | 87.2 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.5 | -41.6 | -178.6 | -28 | 35 | 0 | 0 | 0 | 114 | A71 A72 | P68-A71 PolarHBondContact O-N 2.77Å; P68-A72 PolarHBondContact O-N 3.33Å |
| 69 | N | 88.9 | Confident | 88.2 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 175.3 | -176 | 39.9 | 0 | 0 | 0 | 112 | D67 A72 W73 | D67-N69 VanDerWaalsContact C-N 3.28Å; D67-N69 PolarHBondContact O-N 3.27Å; N69-A72 WeakPolarHBondContact O-CB 3.28Å; N69-A72 PolarHBondContact O-N 3.46Å; N69-W73 PolarHBondContact O-N 2.98Å |
| 70 | Q | 90.5 | Very high | 89.2 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 24% | 0.243 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.9 | -36.9 | 178 | -61.8 | 171.1 | -13.5 | 0 | 0 | 111.2 | L66 D67 A72 W73 F74 L122 H126 | L66-Q70 HydrophobicContact CB-CB 4.38Å; L66-Q70 HydrophobicContact CD2-CB 3.65Å; D67-Q70 HydrophobicContact CB-CB 4.49Å; D67-Q70 HydrophobicContact CB-CG 4.18Å; D67-Q70 CarbonylContact O-C 3.55Å; D67-Q70 WeakPolarHBondContact O-CA 3.29Å; D67-Q70 WeakPolarHBondContact O-CB 3.44Å; D67-Q70 PolarHBondContact O-N 3.23Å; Q70-A72 VanDerWaalsContact C-N 3.34Å; Q70-W73 PolarHBondContact O-N 3.24Å; Q70-F74 WeakPolarHBondContact O-CB 3.39Å; Q70-F74 PolarHBondContact O-N 2.91Å; Q70-L122 HydrophobicContact CG-CD1 4.4Å; Q70-H126 PolarHBondContact O-CE1 3.02Å |
| 71 | A | 90.4 | Very high | 90 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L52 T56 L66 D67 P68 W73 F74 G75 | L52-A71 HydrophobicContact CD2-CB 3.78Å; T56-A71 HydrophobicContact CG2-CB 4.24Å; L66-A71 HydrophobicContact CB-CB 4.31Å; D67-A71 PolarHBondContact O-N 3.39Å; P68-A71 PolarHBondContact O-N 2.77Å; A71-W73 VanDerWaalsContact C-N 3.34Å; A71-W73 PolarHBondContact O-N 3.31Å; A71-F74 PolarHBondContact O-N 2.87Å; A71-G75 PolarHBondContact O-N 3.42Å |
| 72 | A | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.3 | -46.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P68 N69 Q70 S76 T437 | P68-A72 PolarHBondContact O-N 3.33Å; N69-A72 WeakPolarHBondContact O-CB 3.28Å; N69-A72 PolarHBondContact O-N 3.46Å; Q70-A72 VanDerWaalsContact C-N 3.34Å; A72-S76 WeakPolarHBondContact O-CB 3.17Å; A72-S76 PolarHBondContact O-N 3.46Å; A72-S76 PolarHBondContact O-OG 3.36Å; A72-T437 WeakPolarHBondContact CB-OG1 3.3Å |
| 73 | W | 94.3 | Very high | 91.4 | Very high | 98 Ų | 98 | 38.6 Ų | 38.6 | 37% | 0.371 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 174.8 | -84 | 105.3 | 0 | 0 | 0 | 112.6 | N69 Q70 A71 G75 S76 I77 L80 F430 H434 | N69-W73 PolarHBondContact O-N 2.98Å; Q70-W73 PolarHBondContact O-N 3.24Å; A71-W73 VanDerWaalsContact C-N 3.34Å; A71-W73 PolarHBondContact O-N 3.31Å; W73-G75 VanDerWaalsContact C-N 3.33Å; W73-G75 PolarHBondContact O-N 3.01Å; W73-S76 PolarHBondContact O-N 2.98Å; W73-I77 WeakPolarHBondContact O-CB 3.28Å; W73-I77 VanDerWaalsContact O-CG2 3.26Å; W73-I77 WeakPolarHBondContact O-CG2 3.08Å; W73-I77 PolarHBondContact O-N 3.12Å; W73-L80 HydrophobicContact CZ3-CD1 4.21Å; W73-F430 HydrophobicContact CE3-CE2 4.1Å; W73-F430 HydrophobicContact CE3-CZ 4.4Å; W73-F430 HydrophobicContact CH2-CE2 4.29Å; W73-F430 AromaticContact CH2-CZ 3.79Å; W73-F430 HydrophobicContact CH2-CZ 3.79Å; W73-F430 AromaticContact CZ3-CE2 3.68Å; W73-F430 HydrophobicContact CZ3-CE2 3.68Å; W73-F430 AromaticContact CZ3-CZ 3.66Å; W73-F430 HydrophobicContact CZ3-CZ 3.66Å; W73-H434 AromaticContact CD1-CE1 3.67Å; W73-H434 AromaticContact CE2-CE1 3.81Å; W73-H434 AromaticContact NE1-CE1 3.48Å; W73-H434 PolarHBondContact NE1-CE1 3.35Å |
| 74 | F | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 179.5 | -175.9 | -105.6 | 0 | 0 | 0 | 112.1 | Y47 P48 V51 L52 L55 L66 Q70 A71 L125 H126 R129 | Y47-F74 HydrophobicContact CD1-CZ 4.1Å; Y47-F74 HydrophobicContact CE1-CZ 4.07Å; P48-F74 HydrophobicContact CB-CD1 3.98Å; P48-F74 HydrophobicContact CB-CE1 3.91Å; P48-F74 HydrophobicContact CG-CD1 4.29Å; P48-F74 HydrophobicContact CG-CE1 4.17Å; V51-F74 HydrophobicContact CB-CE1 4.43Å; V51-F74 HydrophobicContact CG1-CE1 4.19Å; V51-F74 HydrophobicContact CG1-CZ 4.17Å; L52-F74 HydrophobicContact CD2-CD1 3.74Å; L52-F74 HydrophobicContact CD2-CE1 4.5Å; L52-F74 HydrophobicContact CG-CD1 4.03Å; L52-F74 HydrophobicContact CG-CE1 4.43Å; L55-F74 HydrophobicContact CD1-CZ 4.41Å; L66-F74 HydrophobicContact CD1-CB 4.18Å; L66-F74 HydrophobicContact CD1-CD1 4.28Å; L66-F74 HydrophobicContact CD1-CG 4.17Å; Q70-F74 WeakPolarHBondContact O-CB 3.39Å; Q70-F74 PolarHBondContact O-N 2.91Å; A71-F74 PolarHBondContact O-N 2.87Å; F74-L125 HydrophobicContact CD2-CB 4.19Å; F74-L125 HydrophobicContact CE2-CB 3.97Å; F74-L125 HydrophobicContact CE2-CD2 4.33Å; F74-H126 PolarHBondContact N-CE1 3.11Å; F74-R129 HydrophobicContact CD2-CG 3.8Å; F74-R129 HydrophobicContact CE2-CG 3.51Å; F74-R129 HydrophobicContact CZ-CG 4.21Å; F74-R129 PolarHBondContact O-NE 3Å |
| 75 | G | 92.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67 | -45.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | A71 W73 R129 | A71-G75 PolarHBondContact O-N 3.42Å; W73-G75 VanDerWaalsContact C-N 3.33Å; W73-G75 PolarHBondContact O-N 3.01Å; G75-R129 PolarHBondContact O-NH2 2.97Å |
| 76 | S | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -90 | -29.9 | -168.6 | 71.2 | 0 | 0 | 0 | 0 | 115.6 | A72 W73 Y78 S79 F430 | A72-S76 WeakPolarHBondContact O-CB 3.17Å; A72-S76 PolarHBondContact O-N 3.46Å; A72-S76 PolarHBondContact O-OG 3.36Å; W73-S76 PolarHBondContact O-N 2.98Å; S76-Y78 PolarHBondContact O-N 2.95Å; S76-Y78 VanDerWaalsContact O-N 3.08Å; S76-S79 VanDerWaalsContact O-CB 3.32Å; S76-S79 WeakPolarHBondContact O-CB 3.49Å; S76-S79 PolarHBondContact O-N 3.23Å; S76-F430 WeakPolarHBondContact O-CD2 3.45Å; S76-F430 WeakPolarHBondContact OG-CD2 3.24Å; S76-F430 VanDerWaalsContact OG-CE2 3.24Å; S76-F430 WeakPolarHBondContact OG-CE2 3.39Å |
| 77 | I | 96.3 | Very high | 92.3 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -26.3 | -169.4 | -162.8 | 170.3 | 0 | 0 | 0 | 114.1 | W73 S79 L80 G81 H126 R129 F130 | W73-I77 WeakPolarHBondContact O-CB 3.28Å; W73-I77 VanDerWaalsContact O-CG2 3.26Å; W73-I77 WeakPolarHBondContact O-CG2 3.08Å; W73-I77 PolarHBondContact O-N 3.12Å; I77-S79 PolarHBondContact O-N 3.45Å; I77-L80 PolarHBondContact O-N 3.28Å; I77-G81 PolarHBondContact O-N 2.93Å; I77-G81 VanDerWaalsContact O-N 3.12Å; I77-H126 HydrophobicContact CD1-CB 3.98Å; I77-R129 HydrophobicContact CG2-CB 3.43Å; I77-R129 VanDerWaalsContact CG2-CB 3.43Å; I77-R129 HydrophobicContact CG2-CG 4.37Å; I77-F130 HydrophobicContact CD1-CB 4.24Å; I77-F130 HydrophobicContact CG1-CB 4.17Å; I77-F130 HydrophobicContact CG1-CD2 4.29Å |
| 78 | Y | 96 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.8 | -38.8 | 172.7 | 173 | -88.4 | 0 | 0 | 0 | 112.1 | F41 S44 L45 S76 L80 G81 A82 R129 G133 W426 | F41-Y78 WeakPolarHBondContact CD2-OH 3.43Å; F41-Y78 HydrophobicContact CE2-CE1 4.4Å; F41-Y78 WeakPolarHBondContact CE2-OH 3.4Å; F41-Y78 PolarHBondContact O-OH 3.16Å; F41-Y78 VanDerWaalsContact O-OH 3.1Å; S44-Y78 VanDerWaalsContact CB-CE2 3.49Å; L45-Y78 HydrophobicContact CB-CE1 3.98Å; L45-Y78 HydrophobicContact CD1-CD1 3.72Å; L45-Y78 HydrophobicContact CD1-CE1 3.55Å; L45-Y78 HydrophobicContact CG-CE1 4.38Å; S76-Y78 PolarHBondContact O-N 2.95Å; S76-Y78 VanDerWaalsContact O-N 3.08Å; Y78-L80 PolarHBondContact O-N 3.37Å; Y78-G81 CarbonylContact O-C 3.58Å; Y78-G81 PolarHBondContact O-N 3.04Å; Y78-A82 HydrophobicContact CE1-CB 4.36Å; Y78-A82 WeakPolarHBondContact O-CB 3.46Å; Y78-A82 PolarHBondContact O-N 2.88Å; Y78-R129 VanDerWaalsContact CB-CZ 3.46Å; Y78-G133 VanDerWaalsContact CE2-CA 3.42Å; Y78-G133 WeakPolarHBondContact O-CA 3.48Å; Y78-W426 HydrophobicContact CE1-CH2 4.46Å; Y78-W426 HydrophobicContact CE1-CZ3 4.31Å |
| 79 | S | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 179.8 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | S76 I77 A82 A83 W426 | S76-S79 VanDerWaalsContact O-CB 3.32Å; S76-S79 WeakPolarHBondContact O-CB 3.49Å; S76-S79 PolarHBondContact O-N 3.23Å; I77-S79 PolarHBondContact O-N 3.45Å; S79-A82 PolarHBondContact O-N 3.41Å; S79-A83 PolarHBondContact O-N 2.87Å; S79-W426 WeakPolarHBondContact CB-O 3.44Å; S79-W426 WeakPolarHBondContact O-CB 3.25Å |
| 80 | L | 95.7 | Very high | 91.9 | Very high | 55 Ų | 55 | 20.9 Ų | 20.9 | 29% | 0.288 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 171.6 | -76.8 | 170.8 | 0 | 0 | 0 | 111.6 | W73 I77 Y78 A82 A83 A84 F130 F430 | W73-L80 HydrophobicContact CZ3-CD1 4.21Å; I77-L80 PolarHBondContact O-N 3.28Å; Y78-L80 PolarHBondContact O-N 3.37Å; L80-A82 VanDerWaalsContact C-N 3.32Å; L80-A82 PolarHBondContact O-N 2.72Å; L80-A83 PolarHBondContact O-N 3.29Å; L80-A84 PolarHBondContact O-N 2.74Å; L80-F130 HydrophobicContact CB-CE2 4.38Å; L80-F430 HydrophobicContact CD1-CD1 4.23Å; L80-F430 HydrophobicContact CD1-CD2 3.57Å; L80-F430 HydrophobicContact CD1-CE1 4.04Å; L80-F430 HydrophobicContact CD1-CE2 3.34Å; L80-F430 HydrophobicContact CD1-CG 4.01Å; L80-F430 HydrophobicContact CD1-CZ 3.61Å; L80-F430 HydrophobicContact CD2-CB 4.39Å; L80-F430 HydrophobicContact CD2-CD1 4Å; L80-F430 HydrophobicContact CD2-CD2 4.35Å; L80-F430 HydrophobicContact CD2-CE1 4.4Å; L80-F430 HydrophobicContact CD2-CG 3.97Å; L80-F430 HydrophobicContact CG-CB 4.12Å; L80-F430 HydrophobicContact CG-CD1 4.03Å; L80-F430 HydrophobicContact CG-CD2 3.49Å; L80-F430 VanDerWaalsContact CG-CD2 3.49Å; L80-F430 HydrophobicContact CG-CE1 4.35Å; L80-F430 HydrophobicContact CG-CE2 3.85Å; L80-F430 HydrophobicContact CG-CG 3.59Å; L80-F430 HydrophobicContact CG-CZ 4.27Å |
| 81 | G | 96.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I77 Y78 A83 A84 G85 G133 V134 | I77-G81 PolarHBondContact O-N 2.93Å; I77-G81 VanDerWaalsContact O-N 3.12Å; Y78-G81 CarbonylContact O-C 3.58Å; Y78-G81 PolarHBondContact O-N 3.04Å; G81-A83 VanDerWaalsContact C-N 3.35Å; G81-A83 PolarHBondContact O-N 3.13Å; G81-A84 PolarHBondContact O-N 2.75Å; G81-G85 PolarHBondContact O-N 2.98Å; G81-G133 CarbonylContact C-O 3.5Å; G81-G133 CarbonylContact O-C 3.54Å; G81-V134 VanDerWaalsContact O-CA 3.23Å; G81-V134 WeakPolarHBondContact O-CA 3.29Å; G81-V134 PolarHBondContact O-N 2.98Å |
| 82 | A | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -36.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | Y78 S79 L80 G86 G133 G137 W426 | Y78-A82 HydrophobicContact CE1-CB 4.36Å; Y78-A82 WeakPolarHBondContact O-CB 3.46Å; Y78-A82 PolarHBondContact O-N 2.88Å; S79-A82 PolarHBondContact O-N 3.41Å; L80-A82 VanDerWaalsContact C-N 3.32Å; L80-A82 PolarHBondContact O-N 2.72Å; A82-G86 PolarHBondContact O-N 3.12Å; A82-G133 WeakPolarHBondContact CA-O 3.4Å; A82-G133 VanDerWaalsContact N-C 3.34Å; A82-G133 PolarHBondContact N-O 3.36Å; A82-G137 WeakPolarHBondContact O-CA 3.12Å; A82-W426 HydrophobicContact CB-CD2 3.62Å; A82-W426 HydrophobicContact CB-CE3 3.9Å; A82-W426 HydrophobicContact CB-CG 3.89Å; A82-W426 HydrophobicContact CB-CZ2 4.41Å; A82-W426 HydrophobicContact CB-CZ3 4.4Å |
| 83 | A | 93.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 5% | 0.05 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -50.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S79 L80 G81 G85 G86 L87 W426 V427 | S79-A83 PolarHBondContact O-N 2.87Å; L80-A83 PolarHBondContact O-N 3.29Å; G81-A83 VanDerWaalsContact C-N 3.35Å; G81-A83 PolarHBondContact O-N 3.13Å; A83-G85 PolarHBondContact O-N 3.34Å; A83-G86 PolarHBondContact O-N 3.35Å; A83-L87 PolarHBondContact O-N 3.16Å; A83-W426 HydrophobicContact CB-CB 3.73Å; A83-V427 HydrophobicContact CB-CG2 4.24Å |
| 84 | A | 93.9 | Very high | 90 | Very high | 45 Ų | 45 | 26.4 Ų | 26.4 | 37% | 0.372 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62 | -43.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L80 G81 L87 G88 F130 V134 | L80-A84 PolarHBondContact O-N 2.74Å; G81-A84 PolarHBondContact O-N 2.75Å; A84-L87 PolarHBondContact O-N 3.26Å; A84-G88 PolarHBondContact O-N 3.48Å; A84-F130 HydrophobicContact CB-CZ 4.39Å; A84-V134 HydrophobicContact CB-CG2 4.47Å |
| 85 | G | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G81 A83 G88 A89 V134 M138 | G81-G85 PolarHBondContact O-N 2.98Å; A83-G85 PolarHBondContact O-N 3.34Å; G85-G88 PolarHBondContact O-N 3.45Å; G85-A89 VanDerWaalsContact O-CB 3.3Å; G85-A89 WeakPolarHBondContact O-CB 3.37Å; G85-A89 PolarHBondContact O-N 2.58Å; G85-V134 WeakPolarHBondContact CA-O 3.23Å; G85-M138 VanDerWaalsContact O-CG 3.24Å; G85-M138 WeakPolarHBondContact O-CG 3.21Å |
| 86 | G | 88.4 | Confident | 89.2 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A82 A83 A89 M90 | A82-G86 PolarHBondContact O-N 3.12Å; A83-G86 PolarHBondContact O-N 3.35Å; G86-A89 PolarHBondContact O-N 3.37Å; G86-M90 PolarHBondContact O-N 3.05Å |
| 87 | L | 87.8 | Confident | 88.7 | Confident | 75 Ų | 75 | 36 Ų | 36 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 173.8 | -75.7 | 173.1 | 0 | 0 | 0 | 111.9 | A83 A84 A89 M90 T423 | A83-L87 PolarHBondContact O-N 3.16Å; A84-L87 PolarHBondContact O-N 3.26Å; L87-A89 VanDerWaalsContact C-N 3.29Å; L87-A89 PolarHBondContact O-N 3.32Å; L87-M90 HydrophobicContact CD2-SD 3.97Å; L87-M90 WeakPolarHBondContact O-CB 3.49Å; L87-M90 PolarHBondContact O-N 3.2Å; L87-T423 HydrophobicContact CD1-CG2 4.02Å; L87-T423 WeakPolarHBondContact CD2-OG1 3.01Å; L87-T423 HydrophobicContact CG-CG2 4.47Å; L87-T423 WeakPolarHBondContact CG-OG1 3.23Å |
| 88 | G | 87.3 | Confident | 88.3 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 26% | 0.258 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.3 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A84 G85 M90 L91 L92 | A84-G88 PolarHBondContact O-N 3.48Å; G85-G88 PolarHBondContact O-N 3.45Å; G88-M90 VanDerWaalsContact C-N 3.33Å; G88-M90 PolarHBondContact O-N 2.83Å; G88-L91 PolarHBondContact O-N 3.15Å; G88-L92 WeakPolarHBondContact O-CB 3.37Å; G88-L92 WeakPolarHBondContact O-CD1 3.33Å; G88-L92 VanDerWaalsContact O-CG 3.23Å; G88-L92 WeakPolarHBondContact O-CG 3.07Å; G88-L92 PolarHBondContact O-N 3.04Å |
| 89 | A | 85.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -31.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G85 G86 L87 L91 N93 M138 A141 | G85-A89 VanDerWaalsContact O-CB 3.3Å; G85-A89 WeakPolarHBondContact O-CB 3.37Å; G85-A89 PolarHBondContact O-N 2.58Å; G86-A89 PolarHBondContact O-N 3.37Å; L87-A89 VanDerWaalsContact C-N 3.29Å; L87-A89 PolarHBondContact O-N 3.32Å; A89-L91 PolarHBondContact O-N 3.39Å; A89-N93 WeakPolarHBondContact O-CB 3.32Å; A89-N93 PolarHBondContact O-N 3.02Å; A89-N93 PolarHBondContact O-ND2 3.45Å; A89-M138 HydrophobicContact CB-CB 4.23Å; A89-M138 HydrophobicContact CB-CG 4.25Å; A89-A141 HydrophobicContact CB-CB 3.92Å |
| 90 | M | 79.7 | Confident | 87.9 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.6 | -48.1 | 173.5 | -68 | 159.3 | 65.2 | 0 | 0 | 111.9 | G86 L87 G88 G415 G419 | G86-M90 PolarHBondContact O-N 3.05Å; L87-M90 HydrophobicContact CD2-SD 3.97Å; L87-M90 WeakPolarHBondContact O-CB 3.49Å; L87-M90 PolarHBondContact O-N 3.2Å; G88-M90 VanDerWaalsContact C-N 3.33Å; G88-M90 PolarHBondContact O-N 2.83Å; M90-G415 WeakPolarHBondContact CE-O 3.49Å; M90-G419 WeakPolarHBondContact SD-CA 3.05Å |
| 91 | L | 80.9 | Confident | 87.7 | Confident | 121 Ų | 121 | 39 Ų | 39 | 63% | 0.634 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -68 | -46.5 | -178.4 | -60 | 175.5 | 0 | 0 | 0 | 110.1 | G88 A89 N93 D94 L95 | G88-L91 PolarHBondContact O-N 3.15Å; A89-L91 PolarHBondContact O-N 3.39Å; L91-N93 PolarHBondContact O-N 2.76Å; L91-D94 PolarHBondContact O-N 3.06Å; L91-L95 VanDerWaalsContact O-CG 3.3Å; L91-L95 WeakPolarHBondContact O-CG 3.3Å; L91-L95 PolarHBondContact O-N 3.21Å |
| 92 | L | 84.9 | Confident | 87.5 | Confident | 48 Ų | 48 | 39 Ų | 39 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66 | -37.5 | -178.8 | -69.7 | 168.7 | 0 | 0 | 0 | 112.6 | G88 D94 L95 I96 G97 M104 M138 | G88-L92 WeakPolarHBondContact O-CB 3.37Å; G88-L92 WeakPolarHBondContact O-CD1 3.33Å; G88-L92 VanDerWaalsContact O-CG 3.23Å; G88-L92 WeakPolarHBondContact O-CG 3.07Å; G88-L92 PolarHBondContact O-N 3.04Å; L92-D94 PolarHBondContact O-N 3.34Å; L92-L95 PolarHBondContact O-N 2.53Å; L92-I96 HydrophobicContact CB-CD1 4.26Å; L92-I96 HydrophobicContact CB-CG1 4.19Å; L92-I96 HydrophobicContact CD2-CD1 4.15Å; L92-I96 HydrophobicContact CD2-CG1 4.42Å; L92-I96 WeakPolarHBondContact O-CG1 3.37Å; L92-I96 PolarHBondContact O-N 3.47Å; L92-G97 PolarHBondContact O-N 3.27Å; L92-M104 HydrophobicContact CD1-CE 3.51Å; L92-M104 HydrophobicContact CD2-CE 3.82Å; L92-M104 HydrophobicContact CG-CE 4.17Å; L92-M138 HydrophobicContact CD1-CE 3.88Å |
| 93 | N | 82.8 | Confident | 87.5 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -28.4 | -178.3 | -79.9 | -21.6 | 0 | 0 | 0 | 113.6 | A89 L91 G97 R98 S101 S142 | A89-N93 WeakPolarHBondContact O-CB 3.32Å; A89-N93 PolarHBondContact O-N 3.02Å; A89-N93 PolarHBondContact O-ND2 3.45Å; L91-N93 PolarHBondContact O-N 2.76Å; N93-G97 VanDerWaalsContact O-CA 3.23Å; N93-G97 WeakPolarHBondContact O-CA 3.39Å; N93-G97 PolarHBondContact O-N 2.85Å; N93-R98 HydrophobicContact CB-CG 4.19Å; N93-R98 PolarHBondContact O-NE 3.06Å; N93-S101 PolarHBondContact N-OG 3.09Å; N93-S101 WeakPolarHBondContact OD1-CB 3.45Å; N93-S101 PolarHBondContact OD1-OG 3.12Å; N93-S142 PolarHBondContact ND2-OG 3.48Å; N93-S142 PolarHBondContact OD1-OG 3.09Å; N93-S142 VanDerWaalsContact OD1-OG 3.09Å |
| 94 | D | 78.4 | Confident | 87.5 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -91.7 | -29.3 | 178.1 | -67.7 | -18.9 | 0 | 0 | 0 | 112.3 | L91 L92 R98 R210 | L91-D94 PolarHBondContact O-N 3.06Å; L92-D94 PolarHBondContact O-N 3.34Å; D94-R98 IonicContact OD1-CZ 3.76Å; D94-R98 IonicContact OD1-NH2 3.5Å; D94-R98 PolarHBondContact OD1-NH2 3.39Å; D94-R210 VanDerWaalsContact O-CZ 3.27Å; D94-R210 PolarHBondContact O-NH1 3.18Å; D94-R210 PolarHBondContact O-NH2 3.31Å |
| 95 | L | 81.4 | Confident | 87.5 | Confident | 126 Ų | 126 | 41.7 Ų | 41.7 | 66% | 0.66 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -77.7 | -58.2 | 177.8 | -67.8 | 171.8 | 0 | 0 | 0 | 112.7 | L91 L92 R210 | L91-L95 VanDerWaalsContact O-CG 3.3Å; L91-L95 WeakPolarHBondContact O-CG 3.3Å; L91-L95 PolarHBondContact O-N 3.21Å; L92-L95 PolarHBondContact O-N 2.53Å; L95-R210 PolarHBondContact O-NH2 2.83Å |
| 96 | I | 86.9 | Confident | 87.6 | Confident | 70 Ų | 70 | 42 Ų | 42 | 36% | 0.359 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -13.8 | -173.1 | 59.6 | 166.1 | 0 | 0 | 0 | 113 | L92 M100 M104 | L92-I96 HydrophobicContact CB-CD1 4.26Å; L92-I96 HydrophobicContact CB-CG1 4.19Å; L92-I96 HydrophobicContact CD2-CD1 4.15Å; L92-I96 HydrophobicContact CD2-CG1 4.42Å; L92-I96 WeakPolarHBondContact O-CG1 3.37Å; L92-I96 PolarHBondContact O-N 3.47Å; I96-M100 HydrophobicContact CB-CB 4.23Å; I96-M100 HydrophobicContact CD1-CB 3.89Å; I96-M100 HydrophobicContact CG1-CB 4.18Å; I96-M104 HydrophobicContact CD1-CE 3.35Å; I96-M104 HydrophobicContact CD1-CG 4.32Å; I96-M104 HydrophobicContact CD1-SD 3.46Å; I96-M104 WeakPolarHBondContact CD1-SD 3.28Å |
| 97 | G | 85.9 | Confident | 87.9 | Confident | 5 Ų | 5 | 47 Ų | 47 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | trans | 90.3 | 154.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L92 N93 K99 M100 S101 | L92-G97 PolarHBondContact O-N 3.27Å; N93-G97 VanDerWaalsContact O-CA 3.23Å; N93-G97 WeakPolarHBondContact O-CA 3.39Å; N93-G97 PolarHBondContact O-N 2.85Å; G97-K99 PolarHBondContact O-N 3.27Å; G97-M100 PolarHBondContact O-N 2.95Å; G97-S101 PolarHBondContact O-N 3.36Å; G97-S101 PolarHBondContact O-OG 2.76Å | ||
| 98 | R | 87.1 | Confident | 88.3 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 13% | 0.125 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | -170.3 | -61.1 | 91.4 | -153 | -169.2 | 3.8 | 114.4 | N93 D94 M100 S101 I102 V145 Y146 E149 | N93-R98 HydrophobicContact CB-CG 4.19Å; N93-R98 PolarHBondContact O-NE 3.06Å; D94-R98 IonicContact OD1-CZ 3.76Å; D94-R98 IonicContact OD1-NH2 3.5Å; D94-R98 PolarHBondContact OD1-NH2 3.39Å; R98-M100 PolarHBondContact O-N 3.27Å; R98-S101 PolarHBondContact O-N 3.04Å; R98-I102 WeakPolarHBondContact O-CD1 3.49Å; R98-I102 VanDerWaalsContact O-CG1 3.24Å; R98-I102 WeakPolarHBondContact O-CG1 3.31Å; R98-I102 PolarHBondContact O-N 2.94Å; R98-V145 HydrophobicContact CG-CB 4.42Å; R98-V145 HydrophobicContact CG-CG1 4.03Å; R98-Y146 HydrophobicContact CB-CD2 4.35Å; R98-E149 WeakPolarHBondContact CD-OE2 3.48Å; R98-E149 IonicContact CZ-OE1 3.75Å; R98-E149 IonicContact NE-OE1 2.75Å; R98-E149 IonicContact NH1-OE1 3.86Å; R98-E149 PolarHBondContact NH1-OE1 3.2Å; R98-E149 IonicContact NH1-OE2 3.89Å; R98-E149 PolarHBondContact NH1-OE2 3.02Å |
| 99 | K | 91.4 | Very high | 88.6 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.1 | -49.3 | 177 | 176.1 | -173.8 | 165.9 | 174.9 | 0 | 111 | G97 I102 M103 Y146 L201 V202 M204 | G97-K99 PolarHBondContact O-N 3.27Å; K99-I102 PolarHBondContact O-N 2.88Å; K99-M103 VanDerWaalsContact CE-SD 3.58Å; K99-M103 HydrophobicContact CG-SD 4.14Å; K99-M103 WeakPolarHBondContact O-CG 3.46Å; K99-M103 PolarHBondContact O-N 3.41Å; K99-Y146 HydrophobicContact CB-CE2 4.17Å; K99-L201 WeakPolarHBondContact CE-O 3.19Å; K99-L201 PolarHBondContact NZ-O 3.41Å; K99-V202 PolarHBondContact NZ-O 3.08Å; K99-M204 WeakPolarHBondContact CE-O 3.36Å; K99-M204 PolarHBondContact NZ-O 2.8Å |
| 100 | M | 91.2 | Very high | 89.1 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 41% | 0.414 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.2 | -40.6 | -177.4 | -65.3 | -55.2 | -63 | 0 | 0 | 111.3 | I96 G97 R98 I102 M103 M104 | I96-M100 HydrophobicContact CB-CB 4.23Å; I96-M100 HydrophobicContact CD1-CB 3.89Å; I96-M100 HydrophobicContact CG1-CB 4.18Å; G97-M100 PolarHBondContact O-N 2.95Å; R98-M100 PolarHBondContact O-N 3.27Å; M100-I102 VanDerWaalsContact C-N 3.3Å; M100-I102 PolarHBondContact O-N 3.49Å; M100-M103 PolarHBondContact O-N 3.03Å; M100-M103 VanDerWaalsContact O-N 3.15Å; M100-M103 HydrophobicContact SD-SD 4.2Å; M100-M104 WeakPolarHBondContact O-CG 3.4Å; M100-M104 PolarHBondContact O-N 3Å |
| 101 | S | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57 | -42.8 | 173.4 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | N93 G97 R98 M104 S105 M138 | N93-S101 PolarHBondContact N-OG 3.09Å; N93-S101 WeakPolarHBondContact OD1-CB 3.45Å; N93-S101 PolarHBondContact OD1-OG 3.12Å; G97-S101 PolarHBondContact O-N 3.36Å; G97-S101 PolarHBondContact O-OG 2.76Å; R98-S101 PolarHBondContact O-N 3.04Å; S101-M104 PolarHBondContact O-N 3.33Å; S101-S105 PolarHBondContact O-N 2.89Å; S101-M138 WeakPolarHBondContact O-CE 3.37Å |
| 102 | I | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 176.2 | -61.9 | 161.2 | 0 | 0 | 0 | 110.1 | R98 K99 M100 M104 S105 I143 Y146 M197 L201 | R98-I102 WeakPolarHBondContact O-CD1 3.49Å; R98-I102 VanDerWaalsContact O-CG1 3.24Å; R98-I102 WeakPolarHBondContact O-CG1 3.31Å; R98-I102 PolarHBondContact O-N 2.94Å; K99-I102 PolarHBondContact O-N 2.88Å; M100-I102 VanDerWaalsContact C-N 3.3Å; M100-I102 PolarHBondContact O-N 3.49Å; I102-M104 PolarHBondContact O-N 3.29Å; I102-S105 WeakPolarHBondContact O-CB 3.23Å; I102-S105 PolarHBondContact O-N 2.98Å; I102-S105 PolarHBondContact O-OG 3.46Å; I102-I143 HydrophobicContact CD1-CB 4.46Å; I102-I143 HydrophobicContact CD1-CG1 3.76Å; I102-I143 HydrophobicContact CG1-CG1 3.87Å; I102-I143 HydrophobicContact CG2-CG1 4.21Å; I102-Y146 HydrophobicContact CD1-CD1 4.25Å; I102-Y146 HydrophobicContact CD1-CG 4.11Å; I102-M197 HydrophobicContact CG2-CE 4.33Å; I102-M197 HydrophobicContact CG2-SD 3.77Å; I102-M197 WeakPolarHBondContact O-CE 3.44Å; I102-L201 HydrophobicContact CB-CD1 4.16Å; I102-L201 HydrophobicContact CG2-CD1 3.45Å; I102-L201 VanDerWaalsContact CG2-CD1 3.45Å |
| 103 | M | 94.1 | Very high | 91.1 | Very high | 34 Ų | 34 | 37.4 Ų | 37.4 | 17% | 0.167 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 178.3 | -69.2 | 175.5 | 63.7 | 0 | 0 | 112.6 | K99 M100 S105 A106 V198 L201 V202 | K99-M103 VanDerWaalsContact CE-SD 3.58Å; K99-M103 HydrophobicContact CG-SD 4.14Å; K99-M103 WeakPolarHBondContact O-CG 3.46Å; K99-M103 PolarHBondContact O-N 3.41Å; M100-M103 PolarHBondContact O-N 3.03Å; M100-M103 VanDerWaalsContact O-N 3.15Å; M100-M103 HydrophobicContact SD-SD 4.2Å; M103-S105 PolarHBondContact O-N 3.49Å; M103-A106 VanDerWaalsContact O-CB 3.29Å; M103-A106 WeakPolarHBondContact O-CB 3.42Å; M103-A106 PolarHBondContact O-N 3.12Å; M103-A106 VanDerWaalsContact O-N 3.13Å; M103-V198 HydrophobicContact CE-CG1 4.29Å; M103-L201 HydrophobicContact CG-CB 3.96Å; M103-L201 HydrophobicContact CG-CD1 4.15Å; M103-L201 HydrophobicContact SD-CB 4.26Å; M103-V202 HydrophobicContact CE-CG2 3.49Å; M103-V202 VanDerWaalsContact CE-CG2 3.49Å |
| 104 | M | 93.2 | Very high | 91.7 | Very high | 73 Ų | 73 | 40.9 Ų | 40.9 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.8 | -28.4 | 177.9 | -71.1 | -165.2 | -25.1 | 0 | 0 | 112.7 | L92 I96 M100 S101 I102 A106 V107 P108 M138 | L92-M104 HydrophobicContact CD1-CE 3.51Å; L92-M104 HydrophobicContact CD2-CE 3.82Å; L92-M104 HydrophobicContact CG-CE 4.17Å; I96-M104 HydrophobicContact CD1-CE 3.35Å; I96-M104 HydrophobicContact CD1-CG 4.32Å; I96-M104 HydrophobicContact CD1-SD 3.46Å; I96-M104 WeakPolarHBondContact CD1-SD 3.28Å; M100-M104 WeakPolarHBondContact O-CG 3.4Å; M100-M104 PolarHBondContact O-N 3Å; S101-M104 PolarHBondContact O-N 3.33Å; I102-M104 PolarHBondContact O-N 3.29Å; M104-A106 PolarHBondContact O-N 3.4Å; M104-A106 VanDerWaalsContact O-N 3.16Å; M104-V107 PolarHBondContact O-N 3.31Å; M104-V107 VanDerWaalsContact O-N 3.12Å; M104-P108 WeakPolarHBondContact O-CD 3.46Å; M104-M138 HydrophobicContact CB-CE 4.21Å; M104-M138 HydrophobicContact CE-CE 4.22Å |
| 105 | S | 94.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.4 | 176.2 | 77.7 | 0 | 0 | 0 | 0 | 113.3 | S101 I102 M103 V107 P108 S109 A135 T139 | S101-S105 PolarHBondContact O-N 2.89Å; I102-S105 WeakPolarHBondContact O-CB 3.23Å; I102-S105 PolarHBondContact O-N 2.98Å; I102-S105 PolarHBondContact O-OG 3.46Å; M103-S105 PolarHBondContact O-N 3.49Å; S105-V107 PolarHBondContact O-N 3.09Å; S105-P108 VanDerWaalsContact O-CD 3.28Å; S105-P108 WeakPolarHBondContact O-CD 3.3Å; S105-P108 WeakPolarHBondContact O-CG 3.38Å; S105-S109 WeakPolarHBondContact O-CB 3.36Å; S105-S109 PolarHBondContact O-N 3.37Å; S105-S109 VanDerWaalsContact O-N 3.09Å; S105-A135 WeakPolarHBondContact O-CB 3.46Å; S105-T139 WeakPolarHBondContact OG-CG2 3.41Å |
| 106 | A | 93.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.1 | -26.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M103 M104 T110 M197 V198 | M103-A106 VanDerWaalsContact O-CB 3.29Å; M103-A106 WeakPolarHBondContact O-CB 3.42Å; M103-A106 PolarHBondContact O-N 3.12Å; M103-A106 VanDerWaalsContact O-N 3.13Å; M104-A106 PolarHBondContact O-N 3.4Å; M104-A106 VanDerWaalsContact O-N 3.16Å; A106-T110 VanDerWaalsContact O-CB 3.28Å; A106-T110 WeakPolarHBondContact O-CB 3.18Å; A106-T110 PolarHBondContact O-N 2.98Å; A106-T110 PolarHBondContact O-OG1 3.47Å; A106-M197 HydrophobicContact CB-CE 3.94Å; A106-V198 HydrophobicContact CB-CG2 3.13Å |
| 107 | V | 94.3 | Very high | 93.4 | Very high | 107 Ų | 107 | 30.6 Ų | 30.6 | 65% | 0.648 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -64.4 | -60.1 | 177.2 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | M104 S105 S109 T110 A111 | M104-V107 PolarHBondContact O-N 3.31Å; M104-V107 VanDerWaalsContact O-N 3.12Å; S105-V107 PolarHBondContact O-N 3.09Å; V107-S109 VanDerWaalsContact C-N 3.26Å; V107-S109 PolarHBondContact O-N 3.07Å; V107-T110 PolarHBondContact O-N 2.67Å; V107-A111 VanDerWaalsContact O-CB 3.3Å; V107-A111 WeakPolarHBondContact O-CB 3.15Å; V107-A111 PolarHBondContact O-N 2.95Å |
| 108 | P | 95.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 13% | 0.13 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -30.6 | 175.3 | 25.2 | -32.4 | 0 | 0 | 0 | 112.3 | M104 S105 G112 L131 V134 A135 M138 | M104-P108 WeakPolarHBondContact O-CD 3.46Å; S105-P108 VanDerWaalsContact O-CD 3.28Å; S105-P108 WeakPolarHBondContact O-CD 3.3Å; S105-P108 WeakPolarHBondContact O-CG 3.38Å; P108-G112 WeakPolarHBondContact O-CA 3.49Å; P108-G112 PolarHBondContact O-N 2.94Å; P108-L131 HydrophobicContact CB-CB 4.37Å; P108-L131 HydrophobicContact CB-CD2 4.3Å; P108-L131 WeakPolarHBondContact O-CB 3.46Å; P108-V134 HydrophobicContact CB-CB 4.45Å; P108-V134 HydrophobicContact CB-CG1 4.36Å; P108-V134 HydrophobicContact CG-CG1 4.29Å; P108-A135 HydrophobicContact CG-CB 4.13Å; P108-M138 HydrophobicContact CG-SD 4.48Å |
| 109 | S | 95.3 | Very high | 94 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -51.2 | 175.7 | -165.7 | 0 | 0 | 0 | 0 | 112 | S105 V107 G112 Y113 | S105-S109 WeakPolarHBondContact O-CB 3.36Å; S105-S109 PolarHBondContact O-N 3.37Å; S105-S109 VanDerWaalsContact O-N 3.09Å; V107-S109 VanDerWaalsContact C-N 3.26Å; V107-S109 PolarHBondContact O-N 3.07Å; S109-G112 PolarHBondContact O-N 3.11Å; S109-Y113 WeakPolarHBondContact O-CD2 3.17Å; S109-Y113 PolarHBondContact O-N 3.14Å; S109-Y113 WeakPolarHBondContact OG-CE2 3.26Å |
| 110 | T | 94.6 | Very high | 94 | Very high | 44 Ų | 44 | 33.5 Ų | 33.5 | 27% | 0.27 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.2 | -42.1 | -176.3 | -52 | 0 | 0 | 0 | 0 | 110.5 | A106 V107 G112 T114 | A106-T110 VanDerWaalsContact O-CB 3.28Å; A106-T110 WeakPolarHBondContact O-CB 3.18Å; A106-T110 PolarHBondContact O-N 2.98Å; A106-T110 PolarHBondContact O-OG1 3.47Å; V107-T110 PolarHBondContact O-N 2.67Å; T110-G112 VanDerWaalsContact C-N 3.31Å; T110-G112 PolarHBondContact O-N 3.36Å; T110-T114 VanDerWaalsContact O-CB 3.3Å; T110-T114 WeakPolarHBondContact O-CB 3.1Å; T110-T114 PolarHBondContact O-N 3.22Å; T110-T114 PolarHBondContact O-OG1 3.18Å |
| 111 | A | 95.9 | Very high | 94 | Very high | 41 Ų | 41 | 32.8 Ų | 32.8 | 34% | 0.339 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.6 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V107 T114 L115 L131 | V107-A111 VanDerWaalsContact O-CB 3.3Å; V107-A111 WeakPolarHBondContact O-CB 3.15Å; V107-A111 PolarHBondContact O-N 2.95Å; A111-T114 PolarHBondContact O-N 3.4Å; A111-L115 WeakPolarHBondContact O-CB 3.48Å; A111-L115 WeakPolarHBondContact O-CG 3.42Å; A111-L115 PolarHBondContact O-N 3.05Å; A111-L131 HydrophobicContact CB-CD1 4.08Å |
| 112 | G | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P108 S109 T110 T114 L115 M116 G128 | P108-G112 WeakPolarHBondContact O-CA 3.49Å; P108-G112 PolarHBondContact O-N 2.94Å; S109-G112 PolarHBondContact O-N 3.11Å; T110-G112 VanDerWaalsContact C-N 3.31Å; T110-G112 PolarHBondContact O-N 3.36Å; G112-T114 PolarHBondContact O-N 2.83Å; G112-L115 PolarHBondContact O-N 2.72Å; G112-M116 VanDerWaalsContact O-CG 3.3Å; G112-M116 WeakPolarHBondContact O-CG 3.33Å; G112-M116 PolarHBondContact O-N 2.94Å; G112-G128 WeakPolarHBondContact CA-O 3.43Å; G112-G128 WeakPolarHBondContact O-CA 3.28Å |
| 113 | Y | 96 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 175.9 | -74.5 | -52.9 | 0 | 0 | 0 | 113 | N40 Y43 S44 S109 M116 G117 T132 A187 G190 C191 | N40-Y113 PolarHBondContact OD1-OH 3.38Å; Y43-Y113 HydrophobicContact CD1-CE1 4.15Å; Y43-Y113 VanDerWaalsContact CD1-OH 3.31Å; Y43-Y113 WeakPolarHBondContact CD1-OH 3.41Å; Y43-Y113 HydrophobicContact CE1-CE1 4.29Å; S44-Y113 PolarHBondContact OG-OH 2.94Å; S109-Y113 WeakPolarHBondContact O-CD2 3.17Å; S109-Y113 PolarHBondContact O-N 3.14Å; S109-Y113 WeakPolarHBondContact OG-CE2 3.26Å; Y113-M116 PolarHBondContact O-N 3.49Å; Y113-G117 PolarHBondContact O-N 2.91Å; Y113-T132 HydrophobicContact CD1-CG2 3.99Å; Y113-T132 HydrophobicContact CD2-CG2 4.39Å; Y113-T132 HydrophobicContact CE1-CG2 4.11Å; Y113-T132 HydrophobicContact CG-CG2 4.14Å; Y113-A187 WeakPolarHBondContact CB-O 3.42Å; Y113-A187 WeakPolarHBondContact CD1-O 3.22Å; Y113-G190 VanDerWaalsContact CD2-C 3.49Å; Y113-G190 WeakPolarHBondContact CE2-O 3.44Å; Y113-C191 WeakPolarHBondContact CB-SG 3.43Å |
| 114 | T | 94.4 | Very high | 93.8 | Very high | 86 Ų | 86 | 39.3 Ų | 39.3 | 53% | 0.528 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.2 | -43 | 176.9 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | T110 A111 G112 M116 G117 G118 | T110-T114 VanDerWaalsContact O-CB 3.3Å; T110-T114 WeakPolarHBondContact O-CB 3.1Å; T110-T114 PolarHBondContact O-N 3.22Å; T110-T114 PolarHBondContact O-OG1 3.18Å; A111-T114 PolarHBondContact O-N 3.4Å; G112-T114 PolarHBondContact O-N 2.83Å; T114-M116 VanDerWaalsContact C-N 3.33Å; T114-M116 PolarHBondContact O-N 2.8Å; T114-G117 PolarHBondContact O-N 3.08Å; T114-G118 PolarHBondContact O-N 2.68Å |
| 115 | L | 95.6 | Very high | 93.9 | Very high | 61 Ų | 61 | 35.9 Ų | 35.9 | 32% | 0.319 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 174 | -74.2 | 176.5 | 0 | 0 | 0 | 112 | A111 G112 A119 M124 L131 | A111-L115 WeakPolarHBondContact O-CB 3.48Å; A111-L115 WeakPolarHBondContact O-CG 3.42Å; A111-L115 PolarHBondContact O-N 3.05Å; G112-L115 PolarHBondContact O-N 2.72Å; L115-A119 WeakPolarHBondContact O-CA 3.49Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 2.69Å; L115-M124 HydrophobicContact CD2-CE 4.03Å; L115-M124 HydrophobicContact CD2-CG 4.42Å; L115-L131 HydrophobicContact CD1-CD1 3.85Å |
| 116 | M | 94.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.1 | -45.7 | 178.2 | -69.5 | 170 | 63.6 | 0 | 0 | 111.9 | Y47 G112 Y113 T114 G118 A119 R129 T132 W183 A187 | Y47-M116 HydrophobicContact CD1-CE 3.22Å; Y47-M116 HydrophobicContact CD2-CE 4.2Å; Y47-M116 HydrophobicContact CE1-CE 3.06Å; Y47-M116 HydrophobicContact CE2-CE 4.07Å; Y47-M116 HydrophobicContact CG-CE 3.8Å; G112-M116 VanDerWaalsContact O-CG 3.3Å; G112-M116 WeakPolarHBondContact O-CG 3.33Å; G112-M116 PolarHBondContact O-N 2.94Å; Y113-M116 PolarHBondContact O-N 3.49Å; T114-M116 VanDerWaalsContact C-N 3.33Å; T114-M116 PolarHBondContact O-N 2.8Å; M116-G118 PolarHBondContact O-N 3.48Å; M116-A119 WeakPolarHBondContact O-CB 3.16Å; M116-A119 PolarHBondContact O-N 3.49Å; M116-R129 HydrophobicContact CE-CG 4.09Å; M116-R129 HydrophobicContact SD-CG 4.09Å; M116-T132 HydrophobicContact SD-CG2 4.22Å; M116-W183 WeakPolarHBondContact O-CZ3 3.15Å; M116-A187 HydrophobicContact CB-CB 3.92Å |
| 117 | G | 93.5 | Very high | 94 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y113 T114 R184 | Y113-G117 PolarHBondContact O-N 2.91Å; T114-G117 PolarHBondContact O-N 3.08Å; G117-R184 PolarHBondContact O-NH1 2.91Å |
| 118 | G | 93 | Very high | 94.1 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 40% | 0.402 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 10.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | T114 M116 V120 M124 | T114-G118 PolarHBondContact O-N 2.68Å; M116-G118 PolarHBondContact O-N 3.48Å; G118-V120 PolarHBondContact O-N 3.47Å; G118-M124 VanDerWaalsContact O-CE 3.31Å; G118-M124 WeakPolarHBondContact O-CE 3.47Å |
| 119 | A | 92.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -60.6 | 127.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L64 L115 M116 M124 L125 W183 R184 | L64-A119 HydrophobicContact CD2-CB 4.49Å; L115-A119 WeakPolarHBondContact O-CA 3.49Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 2.69Å; M116-A119 WeakPolarHBondContact O-CB 3.16Å; M116-A119 PolarHBondContact O-N 3.49Å; A119-M124 HydrophobicContact CB-CB 4.1Å; A119-L125 HydrophobicContact CB-CD2 3.53Å; A119-L125 HydrophobicContact CB-CG 3.73Å; A119-W183 HydrophobicContact CB-CH2 4.47Å; A119-R184 PolarHBondContact O-NH1 3.1Å; A119-R184 PolarHBondContact O-NH2 3.36Å | ||
| 120 | V | 90.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 35.7 Ų | 35.7 | 53% | 0.527 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -114.1 | -14.3 | 171.8 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | G118 M124 | G118-V120 PolarHBondContact O-N 3.47Å; V120-M124 HydrophobicContact CG2-SD 3.6Å; V120-M124 VanDerWaalsContact CG2-SD 3.6Å |
| 121 | N | 90.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 36 Ų | 36 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -140.3 | 166.9 | 176.2 | 64.7 | 23.3 | 0 | 0 | 0 | 110.6 | S123 M124 | N121-S123 VanDerWaalsContact C-N 3.31Å; N121-S123 PolarHBondContact O-N 2.92Å; N121-S123 PolarHBondContact OD1-N 3.38Å; N121-M124 PolarHBondContact O-N 3.45Å; N121-M124 WeakPolarHBondContact OD1-CB 3.2Å; N121-M124 WeakPolarHBondContact OD1-CG 3.36Å; N121-M124 PolarHBondContact OD1-N 3Å |
| 122 | L | 89.3 | Confident | 94.4 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -32.7 | -179.6 | -61.2 | 179.2 | 0 | 0 | 0 | 112.9 | L66 Q70 M124 L125 H126 | L66-L122 HydrophobicContact CD2-CD2 3.57Å; L66-L122 HydrophobicContact CG-CD2 4.33Å; Q70-L122 HydrophobicContact CG-CD1 4.4Å; L122-M124 VanDerWaalsContact C-N 3.29Å; L122-M124 PolarHBondContact O-N 3.42Å; L122-L125 HydrophobicContact CD2-CD1 4.25Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 2.65Å; L122-L125 VanDerWaalsContact O-N 3.13Å; L122-H126 PolarHBondContact O-CD2 3.46Å; L122-H126 PolarHBondContact O-N 3.34Å |
| 123 | S | 91.9 | Very high | 94.4 | Very high | 92 Ų | 92 | 34.1 Ų | 34.1 | 64% | 0.643 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -61.5 | -36.8 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | N121 G127 | N121-S123 VanDerWaalsContact C-N 3.31Å; N121-S123 PolarHBondContact O-N 2.92Å; N121-S123 PolarHBondContact OD1-N 3.38Å; S123-G127 PolarHBondContact O-N 3.15Å |
| 124 | M | 95 | Very high | 94.4 | Very high | 48 Ų | 48 | 35.3 Ų | 35.3 | 24% | 0.236 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 174.1 | -74.1 | 173.1 | 78.4 | 0 | 0 | 112.1 | L115 G118 A119 V120 N121 L122 G128 | L115-M124 HydrophobicContact CD2-CE 4.03Å; L115-M124 HydrophobicContact CD2-CG 4.42Å; G118-M124 VanDerWaalsContact O-CE 3.31Å; G118-M124 WeakPolarHBondContact O-CE 3.47Å; A119-M124 HydrophobicContact CB-CB 4.1Å; V120-M124 HydrophobicContact CG2-SD 3.6Å; V120-M124 VanDerWaalsContact CG2-SD 3.6Å; N121-M124 PolarHBondContact O-N 3.45Å; N121-M124 WeakPolarHBondContact OD1-CB 3.2Å; N121-M124 WeakPolarHBondContact OD1-CG 3.36Å; N121-M124 PolarHBondContact OD1-N 3Å; L122-M124 VanDerWaalsContact C-N 3.29Å; L122-M124 PolarHBondContact O-N 3.42Å; M124-G128 PolarHBondContact O-N 3.09Å |
| 125 | L | 93.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -50.2 | 174.8 | -71.7 | 176.9 | 0 | 0 | 0 | 111.1 | L55 L64 F74 A119 L122 G128 R129 W183 | L55-L125 HydrophobicContact CD1-CD1 3.9Å; L64-L125 HydrophobicContact CD2-CD1 4.14Å; F74-L125 HydrophobicContact CD2-CB 4.19Å; F74-L125 HydrophobicContact CE2-CB 3.97Å; F74-L125 HydrophobicContact CE2-CD2 4.33Å; A119-L125 HydrophobicContact CB-CD2 3.53Å; A119-L125 HydrophobicContact CB-CG 3.73Å; L122-L125 HydrophobicContact CD2-CD1 4.25Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 2.65Å; L122-L125 VanDerWaalsContact O-N 3.13Å; L125-G128 PolarHBondContact O-N 3.31Å; L125-R129 WeakPolarHBondContact O-CB 3.37Å; L125-R129 WeakPolarHBondContact O-CG 3.42Å; L125-R129 PolarHBondContact O-N 3.09Å; L125-W183 HydrophobicContact CD2-CH2 4.29Å; L125-W183 HydrophobicContact CD2-CZ3 3.95Å |
| 126 | H | 94.6 | Very high | 94.4 | Very high | 32 Ų | 32 | 28.6 Ų | 28.6 | 15% | 0.148 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | 178.8 | -68.8 | -51.8 | 0 | 0 | 0 | 112.5 | Q70 F74 I77 L122 G128 R129 F130 | Q70-H126 PolarHBondContact O-CE1 3.02Å; F74-H126 PolarHBondContact N-CE1 3.11Å; I77-H126 HydrophobicContact CD1-CB 3.98Å; L122-H126 PolarHBondContact O-CD2 3.46Å; L122-H126 PolarHBondContact O-N 3.34Å; H126-G128 VanDerWaalsContact C-N 3.33Å; H126-G128 PolarHBondContact O-N 2.93Å; H126-R129 PolarHBondContact O-N 3Å; H126-F130 WeakPolarHBondContact O-CB 3.12Å; H126-F130 PolarHBondContact O-N 3.36Å |
| 127 | G | 96.2 | Very high | 94.2 | Very high | 27 Ų | 27 | 28.6 Ų | 28.6 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S123 F130 L131 | S123-G127 PolarHBondContact O-N 3.15Å; G127-F130 PolarHBondContact O-N 3.03Å; G127-L131 WeakPolarHBondContact O-CG 3.27Å; G127-L131 PolarHBondContact O-N 2.86Å |
| 128 | G | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G112 M124 L125 H126 F130 L131 T132 | G112-G128 WeakPolarHBondContact CA-O 3.43Å; G112-G128 WeakPolarHBondContact O-CA 3.28Å; M124-G128 PolarHBondContact O-N 3.09Å; L125-G128 PolarHBondContact O-N 3.31Å; H126-G128 VanDerWaalsContact C-N 3.33Å; H126-G128 PolarHBondContact O-N 2.93Å; G128-F130 PolarHBondContact O-N 3.4Å; G128-L131 PolarHBondContact O-N 2.86Å; G128-T132 WeakPolarHBondContact O-CG2 3.36Å; G128-T132 PolarHBondContact O-N 3.44Å; G128-T132 PolarHBondContact O-OG1 3Å; G128-T132 VanDerWaalsContact O-OG1 3.07Å |
| 129 | R | 95.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 173.2 | -73.5 | -74.2 | -65.5 | 147.1 | -7.8 | 112.3 | S44 P48 F74 G75 I77 Y78 M116 L125 H126 T132 G133 | S44-R129 PolarHBondContact O-NH1 3.33Å; P48-R129 VanDerWaalsContact CG-CZ 3.49Å; F74-R129 HydrophobicContact CD2-CG 3.8Å; F74-R129 HydrophobicContact CE2-CG 3.51Å; F74-R129 HydrophobicContact CZ-CG 4.21Å; F74-R129 PolarHBondContact O-NE 3Å; G75-R129 PolarHBondContact O-NH2 2.97Å; I77-R129 HydrophobicContact CG2-CB 3.43Å; I77-R129 VanDerWaalsContact CG2-CB 3.43Å; I77-R129 HydrophobicContact CG2-CG 4.37Å; Y78-R129 VanDerWaalsContact CB-CZ 3.46Å; M116-R129 HydrophobicContact CE-CG 4.09Å; M116-R129 HydrophobicContact SD-CG 4.09Å; L125-R129 WeakPolarHBondContact O-CB 3.37Å; L125-R129 WeakPolarHBondContact O-CG 3.42Å; L125-R129 PolarHBondContact O-N 3.09Å; H126-R129 PolarHBondContact O-N 3Å; R129-T132 WeakPolarHBondContact CA-OG1 3.5Å; R129-T132 PolarHBondContact O-OG1 2.76Å; R129-G133 PolarHBondContact O-N 2.85Å |
| 130 | F | 97.7 | Very high | 93.8 | Very high | 77 Ų | 77 | 27.3 Ų | 27.3 | 34% | 0.338 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 175.8 | 179.8 | -99.5 | 0 | 0 | 0 | 111.3 | I77 L80 A84 H126 G127 G128 G133 V134 | I77-F130 HydrophobicContact CD1-CB 4.24Å; I77-F130 HydrophobicContact CG1-CB 4.17Å; I77-F130 HydrophobicContact CG1-CD2 4.29Å; L80-F130 HydrophobicContact CB-CE2 4.38Å; A84-F130 HydrophobicContact CB-CZ 4.39Å; H126-F130 WeakPolarHBondContact O-CB 3.12Å; H126-F130 PolarHBondContact O-N 3.36Å; G127-F130 PolarHBondContact O-N 3.03Å; G128-F130 PolarHBondContact O-N 3.4Å; F130-G133 CarbonylContact O-C 3.54Å; F130-G133 WeakPolarHBondContact O-CA 3.26Å; F130-G133 PolarHBondContact O-N 2.91Å; F130-G133 VanDerWaalsContact O-N 3.13Å; F130-V134 HydrophobicContact CD1-CG2 4.2Å; F130-V134 HydrophobicContact CE1-CG2 3.8Å; F130-V134 HydrophobicContact CZ-CG2 4.05Å; F130-V134 WeakPolarHBondContact O-CG2 3.3Å; F130-V134 PolarHBondContact O-N 3.43Å |
| 131 | L | 97.6 | Very high | 93.5 | Very high | 50 Ų | 50 | 24 Ų | 24 | 26% | 0.262 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66 | -42.7 | -179.8 | -69.9 | 178.9 | 0 | 0 | 0 | 113.3 | P108 A111 L115 G127 G128 G133 V134 A135 | P108-L131 HydrophobicContact CB-CB 4.37Å; P108-L131 HydrophobicContact CB-CD2 4.3Å; P108-L131 WeakPolarHBondContact O-CB 3.46Å; A111-L131 HydrophobicContact CB-CD1 4.08Å; L115-L131 HydrophobicContact CD1-CD1 3.85Å; G127-L131 WeakPolarHBondContact O-CG 3.27Å; G127-L131 PolarHBondContact O-N 2.86Å; G128-L131 PolarHBondContact O-N 2.86Å; L131-G133 PolarHBondContact O-N 3.19Å; L131-V134 WeakPolarHBondContact O-CB 3.48Å; L131-V134 PolarHBondContact O-N 2.97Å; L131-V134 VanDerWaalsContact O-N 3.15Å; L131-A135 PolarHBondContact O-N 3.29Å |
| 132 | T | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.5 | -34.8 | 171.5 | 54 | 0 | 0 | 0 | 0 | 111.4 | Y113 M116 G128 R129 A135 G136 | Y113-T132 HydrophobicContact CD1-CG2 3.99Å; Y113-T132 HydrophobicContact CD2-CG2 4.39Å; Y113-T132 HydrophobicContact CE1-CG2 4.11Å; Y113-T132 HydrophobicContact CG-CG2 4.14Å; M116-T132 HydrophobicContact SD-CG2 4.22Å; G128-T132 WeakPolarHBondContact O-CG2 3.36Å; G128-T132 PolarHBondContact O-N 3.44Å; G128-T132 PolarHBondContact O-OG1 3Å; G128-T132 VanDerWaalsContact O-OG1 3.07Å; R129-T132 WeakPolarHBondContact CA-OG1 3.5Å; R129-T132 PolarHBondContact O-OG1 2.76Å; T132-A135 PolarHBondContact O-N 3.16Å; T132-G136 PolarHBondContact O-N 3.01Å |
| 133 | G | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -51 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y78 G81 A82 R129 F130 L131 A135 G136 G137 | Y78-G133 VanDerWaalsContact CE2-CA 3.42Å; Y78-G133 WeakPolarHBondContact O-CA 3.48Å; G81-G133 CarbonylContact C-O 3.5Å; G81-G133 CarbonylContact O-C 3.54Å; A82-G133 WeakPolarHBondContact CA-O 3.4Å; A82-G133 VanDerWaalsContact N-C 3.34Å; A82-G133 PolarHBondContact N-O 3.36Å; R129-G133 PolarHBondContact O-N 2.85Å; F130-G133 CarbonylContact O-C 3.54Å; F130-G133 WeakPolarHBondContact O-CA 3.26Å; F130-G133 PolarHBondContact O-N 2.91Å; F130-G133 VanDerWaalsContact O-N 3.13Å; L131-G133 PolarHBondContact O-N 3.19Å; G133-A135 VanDerWaalsContact C-N 3.3Å; G133-A135 PolarHBondContact O-N 3Å; G133-G136 PolarHBondContact O-N 2.71Å; G133-G136 VanDerWaalsContact O-N 3.1Å; G133-G137 PolarHBondContact O-N 3.12Å |
| 134 | V | 96.3 | Very high | 93.1 | Very high | 26 Ų | 26 | 17.3 Ų | 17.3 | 16% | 0.158 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.5 | -46.9 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | G81 A84 G85 P108 F130 L131 G136 G137 M138 | G81-V134 VanDerWaalsContact O-CA 3.23Å; G81-V134 WeakPolarHBondContact O-CA 3.29Å; G81-V134 PolarHBondContact O-N 2.98Å; A84-V134 HydrophobicContact CB-CG2 4.47Å; G85-V134 WeakPolarHBondContact CA-O 3.23Å; P108-V134 HydrophobicContact CB-CB 4.45Å; P108-V134 HydrophobicContact CB-CG1 4.36Å; P108-V134 HydrophobicContact CG-CG1 4.29Å; F130-V134 HydrophobicContact CD1-CG2 4.2Å; F130-V134 HydrophobicContact CE1-CG2 3.8Å; F130-V134 HydrophobicContact CZ-CG2 4.05Å; F130-V134 WeakPolarHBondContact O-CG2 3.3Å; F130-V134 PolarHBondContact O-N 3.43Å; L131-V134 WeakPolarHBondContact O-CB 3.48Å; L131-V134 PolarHBondContact O-N 2.97Å; L131-V134 VanDerWaalsContact O-N 3.15Å; V134-G136 PolarHBondContact O-N 2.99Å; V134-G137 PolarHBondContact O-N 3.15Å; V134-M138 HydrophobicContact CG1-SD 4.13Å; V134-M138 VanDerWaalsContact O-CG 3.29Å; V134-M138 WeakPolarHBondContact O-CG 3.24Å; V134-M138 PolarHBondContact O-N 3.38Å |
| 135 | A | 95.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S105 P108 L131 T132 G133 M138 T139 | S105-A135 WeakPolarHBondContact O-CB 3.46Å; P108-A135 HydrophobicContact CG-CB 4.13Å; L131-A135 PolarHBondContact O-N 3.29Å; T132-A135 PolarHBondContact O-N 3.16Å; G133-A135 VanDerWaalsContact C-N 3.3Å; G133-A135 PolarHBondContact O-N 3Å; A135-M138 PolarHBondContact O-N 3.36Å; A135-T139 WeakPolarHBondContact O-CG2 3.02Å; A135-T139 PolarHBondContact O-N 3.03Å; A135-T139 PolarHBondContact O-OG1 3.38Å |
| 136 | G | 93.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F41 T132 G133 V134 T139 A140 | F41-G136 WeakPolarHBondContact CD2-O 3.46Å; T132-G136 PolarHBondContact O-N 3.01Å; G133-G136 PolarHBondContact O-N 2.71Å; G133-G136 VanDerWaalsContact O-N 3.1Å; V134-G136 PolarHBondContact O-N 2.99Å; G136-T139 WeakPolarHBondContact CA-OG1 3.49Å; G136-T139 PolarHBondContact O-OG1 3.38Å; G136-A140 WeakPolarHBondContact O-CB 3.43Å; G136-A140 PolarHBondContact O-N 2.87Å |
| 137 | G | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A82 G133 V134 A141 | A82-G137 WeakPolarHBondContact O-CA 3.12Å; G133-G137 PolarHBondContact O-N 3.12Å; V134-G137 PolarHBondContact O-N 3.15Å; G137-A141 PolarHBondContact O-N 3.11Å; G137-A141 VanDerWaalsContact O-N 3.16Å |
| 138 | M | 91.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 16.3 Ų | 16.3 | 6% | 0.064 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 179 | -72 | 176.3 | 72.7 | 0 | 0 | 112.4 | G85 A89 L92 S101 M104 P108 V134 A135 S142 | G85-M138 VanDerWaalsContact O-CG 3.24Å; G85-M138 WeakPolarHBondContact O-CG 3.21Å; A89-M138 HydrophobicContact CB-CB 4.23Å; A89-M138 HydrophobicContact CB-CG 4.25Å; L92-M138 HydrophobicContact CD1-CE 3.88Å; S101-M138 WeakPolarHBondContact O-CE 3.37Å; M104-M138 HydrophobicContact CB-CE 4.21Å; M104-M138 HydrophobicContact CE-CE 4.22Å; P108-M138 HydrophobicContact CG-SD 4.48Å; V134-M138 HydrophobicContact CG1-SD 4.13Å; V134-M138 VanDerWaalsContact O-CG 3.29Å; V134-M138 WeakPolarHBondContact O-CG 3.24Å; V134-M138 PolarHBondContact O-N 3.38Å; A135-M138 PolarHBondContact O-N 3.36Å; M138-S142 VanDerWaalsContact O-CB 3.26Å; M138-S142 WeakPolarHBondContact O-CB 3.27Å; M138-S142 PolarHBondContact O-N 3.38Å; M138-S142 VanDerWaalsContact O-N 3.11Å; M138-S142 PolarHBondContact O-OG 2.9Å |
| 139 | T | 91.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.3 | -45 | 179.5 | 47 | 0 | 0 | 0 | 0 | 111.7 | S105 A135 G136 A141 S142 I143 | S105-T139 WeakPolarHBondContact OG-CG2 3.41Å; A135-T139 WeakPolarHBondContact O-CG2 3.02Å; A135-T139 PolarHBondContact O-N 3.03Å; A135-T139 PolarHBondContact O-OG1 3.38Å; G136-T139 WeakPolarHBondContact CA-OG1 3.49Å; G136-T139 PolarHBondContact O-OG1 3.38Å; T139-A141 VanDerWaalsContact C-N 3.28Å; T139-A141 PolarHBondContact O-N 2.8Å; T139-S142 PolarHBondContact O-N 3.48Å; T139-I143 HydrophobicContact CG2-CD1 4.09Å; T139-I143 WeakPolarHBondContact O-CB 3.42Å; T139-I143 WeakPolarHBondContact O-CD1 3.49Å; T139-I143 VanDerWaalsContact O-CG1 3.28Å; T139-I143 WeakPolarHBondContact O-CG1 3.43Å; T139-I143 PolarHBondContact O-N 3.19Å |
| 140 | A | 86.8 | Confident | 90.5 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 6% | 0.058 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.5 | -36.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F41 G136 P144 | F41-A140 HydrophobicContact CD2-CB 4.36Å; F41-A140 HydrophobicContact CE2-CB 4.41Å; G136-A140 WeakPolarHBondContact O-CB 3.43Å; G136-A140 PolarHBondContact O-N 2.87Å; A140-P144 WeakPolarHBondContact O-CD 3.25Å; A140-P144 WeakPolarHBondContact O-CG 3.44Å |
| 141 | A | 84.2 | Confident | 90 | Very high | 19 Ų | 19 | 14.3 Ų | 14.3 | 16% | 0.157 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -78.8 | -35 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A89 G137 T139 | A89-A141 HydrophobicContact CB-CB 3.92Å; G137-A141 PolarHBondContact O-N 3.11Å; G137-A141 VanDerWaalsContact O-N 3.16Å; T139-A141 VanDerWaalsContact C-N 3.28Å; T139-A141 PolarHBondContact O-N 2.8Å |
| 142 | S | 87.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -92.9 | -36.5 | -167.9 | -51.2 | 0 | 0 | 0 | 0 | 113.9 | N93 M138 T139 V145 Y146 | N93-S142 PolarHBondContact ND2-OG 3.48Å; N93-S142 PolarHBondContact OD1-OG 3.09Å; N93-S142 VanDerWaalsContact OD1-OG 3.09Å; M138-S142 VanDerWaalsContact O-CB 3.26Å; M138-S142 WeakPolarHBondContact O-CB 3.27Å; M138-S142 PolarHBondContact O-N 3.38Å; M138-S142 VanDerWaalsContact O-N 3.11Å; M138-S142 PolarHBondContact O-OG 2.9Å; T139-S142 PolarHBondContact O-N 3.48Å; S142-V145 PolarHBondContact O-N 3.48Å; S142-Y146 WeakPolarHBondContact O-CB 3.41Å; S142-Y146 PolarHBondContact O-N 3.35Å |
| 143 | I | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -46.8 | -173.8 | -64.2 | 162.2 | 0 | 0 | 0 | 112.6 | A34 V35 N38 I102 T139 V145 Y146 I147 P163 | A34-I143 HydrophobicContact CB-CG2 4.11Å; A34-I143 WeakPolarHBondContact O-CD1 3.47Å; V35-I143 HydrophobicContact CG1-CG2 4.24Å; N38-I143 WeakPolarHBondContact ND2-CD1 3.47Å; N38-I143 WeakPolarHBondContact ND2-CG2 3.25Å; I102-I143 HydrophobicContact CD1-CB 4.46Å; I102-I143 HydrophobicContact CD1-CG1 3.76Å; I102-I143 HydrophobicContact CG1-CG1 3.87Å; I102-I143 HydrophobicContact CG2-CG1 4.21Å; T139-I143 HydrophobicContact CG2-CD1 4.09Å; T139-I143 WeakPolarHBondContact O-CB 3.42Å; T139-I143 WeakPolarHBondContact O-CD1 3.49Å; T139-I143 VanDerWaalsContact O-CG1 3.28Å; T139-I143 WeakPolarHBondContact O-CG1 3.43Å; T139-I143 PolarHBondContact O-N 3.19Å; I143-V145 PolarHBondContact O-N 3.05Å; I143-Y146 PolarHBondContact O-N 2.9Å; I143-I147 HydrophobicContact CG2-CD1 3.57Å; I143-I147 HydrophobicContact CG2-CG1 4.12Å; I143-I147 WeakPolarHBondContact O-CG1 3.28Å; I143-I147 PolarHBondContact O-N 3.21Å; I143-P163 HydrophobicContact CG2-CG 4.22Å |
| 144 | P | 84.6 | Confident | 87.5 | Confident | 51 Ų | 51 | 31.8 Ų | 31.8 | 33% | 0.331 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.4 | -38.9 | 178.9 | -24.3 | 35.3 | 0 | 0 | 0 | 112.1 | A140 S148 | A140-P144 WeakPolarHBondContact O-CD 3.25Å; A140-P144 WeakPolarHBondContact O-CG 3.44Å; P144-S148 VanDerWaalsContact O-CB 3.27Å; P144-S148 WeakPolarHBondContact O-CB 3.12Å; P144-S148 PolarHBondContact O-N 3.29Å |
| 145 | V | 83 | Confident | 86.7 | Confident | 54 Ų | 54 | 31.3 Ų | 31.3 | 33% | 0.327 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.3 | -49.5 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | R98 S142 I143 I147 S148 E149 | R98-V145 HydrophobicContact CG-CB 4.42Å; R98-V145 HydrophobicContact CG-CG1 4.03Å; S142-V145 PolarHBondContact O-N 3.48Å; I143-V145 PolarHBondContact O-N 3.05Å; V145-I147 PolarHBondContact O-N 2.89Å; V145-S148 PolarHBondContact O-N 3.14Å; V145-S148 VanDerWaalsContact O-N 3.12Å; V145-S148 PolarHBondContact O-OG 2.93Å; V145-E149 HydrophobicContact CG1-CG 4.41Å; V145-E149 WeakPolarHBondContact O-CG 3.3Å; V145-E149 PolarHBondContact O-N 3.19Å |
| 146 | Y | 88.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.2 | -49.4 | 178.1 | -180 | -111 | 0 | 0 | 0 | 112 | A34 R98 K99 I102 S142 I143 S148 E149 I150 L201 P205 | A34-Y146 HydrophobicContact CB-CD1 3.82Å; A34-Y146 HydrophobicContact CB-CE1 4.05Å; R98-Y146 HydrophobicContact CB-CD2 4.35Å; K99-Y146 HydrophobicContact CB-CE2 4.17Å; I102-Y146 HydrophobicContact CD1-CD1 4.25Å; I102-Y146 HydrophobicContact CD1-CG 4.11Å; S142-Y146 WeakPolarHBondContact O-CB 3.41Å; S142-Y146 PolarHBondContact O-N 3.35Å; I143-Y146 PolarHBondContact O-N 2.9Å; Y146-S148 VanDerWaalsContact C-N 3.29Å; Y146-S148 PolarHBondContact O-N 3.36Å; Y146-E149 PolarHBondContact O-N 2.99Å; Y146-E149 VanDerWaalsContact O-N 3.16Å; Y146-I150 HydrophobicContact CD1-CD1 4.15Å; Y146-I150 HydrophobicContact CD2-CG2 4.29Å; Y146-I150 HydrophobicContact CE1-CD1 3.73Å; Y146-I150 HydrophobicContact CE2-CG2 3.89Å; Y146-I150 WeakPolarHBondContact O-CG1 3.42Å; Y146-I150 PolarHBondContact O-N 3.44Å; Y146-I150 VanDerWaalsContact O-N 3.09Å; Y146-L201 HydrophobicContact CE1-CD2 4.49Å; Y146-P205 PolarHBondContact OH-O 3.28Å |
| 147 | I | 89 | Confident | 84.8 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 177 | -66.7 | 170.6 | 0 | 0 | 0 | 110.6 | V31 V35 I143 V145 E149 I150 S151 L159 P163 | V31-I147 HydrophobicContact CG1-CD1 3.97Å; V31-I147 HydrophobicContact CG1-CG1 4.2Å; V31-I147 HydrophobicContact CG2-CG1 4.24Å; V31-I147 HydrophobicContact CG2-CG2 4.17Å; V35-I147 HydrophobicContact CG1-CD1 3.66Å; I143-I147 HydrophobicContact CG2-CD1 3.57Å; I143-I147 HydrophobicContact CG2-CG1 4.12Å; I143-I147 WeakPolarHBondContact O-CG1 3.28Å; I143-I147 PolarHBondContact O-N 3.21Å; V145-I147 PolarHBondContact O-N 2.89Å; I147-E149 VanDerWaalsContact C-N 3.27Å; I147-E149 PolarHBondContact O-N 3.23Å; I147-I150 WeakPolarHBondContact O-CG1 3.46Å; I147-I150 PolarHBondContact O-N 2.91Å; I147-S151 WeakPolarHBondContact O-CB 3.4Å; I147-S151 PolarHBondContact O-N 3.43Å; I147-S151 PolarHBondContact O-OG 3.08Å; I147-L159 HydrophobicContact CG2-CB 3.78Å; I147-P163 HydrophobicContact CD1-CG 3.52Å |
| 148 | S | 83.2 | Confident | 84.2 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -27.4 | -179.1 | 84.7 | 0 | 0 | 0 | 0 | 113.8 | P144 V145 Y146 | P144-S148 VanDerWaalsContact O-CB 3.27Å; P144-S148 WeakPolarHBondContact O-CB 3.12Å; P144-S148 PolarHBondContact O-N 3.29Å; V145-S148 PolarHBondContact O-N 3.14Å; V145-S148 VanDerWaalsContact O-N 3.12Å; V145-S148 PolarHBondContact O-OG 2.93Å; Y146-S148 VanDerWaalsContact C-N 3.29Å; Y146-S148 PolarHBondContact O-N 3.36Å |
| 149 | E | 85.4 | Confident | 83.9 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -85.2 | -29.1 | 179.1 | -71.2 | -178.5 | 170.8 | 0 | 0 | 113.1 | R98 V145 Y146 I147 S207 | R98-E149 WeakPolarHBondContact CD-OE2 3.48Å; R98-E149 IonicContact CZ-OE1 3.75Å; R98-E149 IonicContact NE-OE1 2.75Å; R98-E149 IonicContact NH1-OE1 3.86Å; R98-E149 PolarHBondContact NH1-OE1 3.2Å; R98-E149 IonicContact NH1-OE2 3.89Å; R98-E149 PolarHBondContact NH1-OE2 3.02Å; V145-E149 HydrophobicContact CG1-CG 4.41Å; V145-E149 WeakPolarHBondContact O-CG 3.3Å; V145-E149 PolarHBondContact O-N 3.19Å; Y146-E149 PolarHBondContact O-N 2.99Å; Y146-E149 VanDerWaalsContact O-N 3.16Å; I147-E149 VanDerWaalsContact C-N 3.27Å; I147-E149 PolarHBondContact O-N 3.23Å; E149-S207 WeakPolarHBondContact CB-OG 3.46Å; E149-S207 WeakPolarHBondContact OE2-CB 3.36Å; E149-S207 PolarHBondContact OE2-OG 3.42Å |
| 150 | I | 89.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -89.6 | -21.3 | 178 | 67.2 | 176.4 | 0 | 0 | 0 | 112.9 | L27 A30 V31 Y146 I147 L227 R228 | L27-I150 HydrophobicContact CD1-CB 4.27Å; L27-I150 HydrophobicContact CD1-CD1 4.02Å; L27-I150 HydrophobicContact CD1-CG1 3.82Å; A30-I150 HydrophobicContact CB-CD1 3.95Å; V31-I150 HydrophobicContact CG2-CD1 4.03Å; Y146-I150 HydrophobicContact CD1-CD1 4.15Å; Y146-I150 HydrophobicContact CD2-CG2 4.29Å; Y146-I150 HydrophobicContact CE1-CD1 3.73Å; Y146-I150 HydrophobicContact CE2-CG2 3.89Å; Y146-I150 WeakPolarHBondContact O-CG1 3.42Å; Y146-I150 PolarHBondContact O-N 3.44Å; Y146-I150 VanDerWaalsContact O-N 3.09Å; I147-I150 WeakPolarHBondContact O-CG1 3.46Å; I147-I150 PolarHBondContact O-N 2.91Å; I150-L227 HydrophobicContact CB-CD1 3.83Å; I150-L227 HydrophobicContact CB-CD2 4.16Å; I150-L227 HydrophobicContact CG2-CD1 3.98Å; I150-R228 PolarHBondContact O-NH1 3.23Å; I150-R228 PolarHBondContact O-NH2 3.21Å; I150-R228 VanDerWaalsContact O-NH2 3.11Å |
| 151 | S | 86.2 | Confident | 82.9 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -85 | 136.9 | -175.6 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | I147 L159 | I147-S151 WeakPolarHBondContact O-CB 3.4Å; I147-S151 PolarHBondContact O-N 3.43Å; I147-S151 PolarHBondContact O-OG 3.08Å; S151-L159 WeakPolarHBondContact OG-CD1 3.39Å |
| 152 | H | 83.1 | Confident | 83.1 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 9% | 0.088 | 26% | 0.264 | C | S | . | . | trans | -82 | 160.9 | 171.1 | 65.2 | -79.5 | 0 | 0 | 0 | 111.4 | N24 K154 V155 R156 | N24-H152 PolarHBondContact OD1-CE1 2.87Å; H152-K154 VanDerWaalsContact C-N 3.27Å; H152-K154 PolarHBondContact O-N 2.89Å; H152-V155 WeakPolarHBondContact CE1-CG2 3.43Å; H152-V155 WeakPolarHBondContact ND1-CG2 3.4Å; H152-V155 PolarHBondContact O-N 3.43Å; H152-R156 WeakPolarHBondContact O-CB 3.31Å; H152-R156 PolarHBondContact O-N 3.39Å | ||
| 153 | K | 76.4 | Confident | 83.2 | Confident | 205 Ų | 205 | 46.7 Ų | 46.7 | 89% | 0.891 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -38.5 | -171.2 | -65.4 | -179.3 | 179.9 | 179.5 | 0 | 114.8 | ||
| 154 | K | 78.8 | Confident | 83 | Confident | 193 Ų | 193 | 48.2 Ų | 48.2 | 84% | 0.839 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -35.7 | -174.5 | -168.6 | 179.7 | -179.8 | -179 | 0 | 113.8 | H152 | H152-K154 VanDerWaalsContact C-N 3.27Å; H152-K154 PolarHBondContact O-N 2.89Å |
| 155 | V | 80.4 | Confident | 83.2 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -8.5 | -176.2 | -60.3 | 0 | 0 | 0 | 0 | 113.4 | L27 H152 G157 A158 L159 | L27-V155 HydrophobicContact CD2-CG2 3.78Å; H152-V155 WeakPolarHBondContact CE1-CG2 3.43Å; H152-V155 WeakPolarHBondContact ND1-CG2 3.4Å; H152-V155 PolarHBondContact O-N 3.43Å; V155-G157 VanDerWaalsContact C-N 3.28Å; V155-G157 PolarHBondContact O-N 3.26Å; V155-A158 PolarHBondContact O-N 3.26Å; V155-L159 HydrophobicContact CB-CD1 4.07Å; V155-L159 HydrophobicContact CB-CG 4.33Å; V155-L159 HydrophobicContact CG2-CD1 3.57Å; V155-L159 HydrophobicContact CG2-CG 4.34Å; V155-L159 WeakPolarHBondContact O-CG 3.38Å; V155-L159 PolarHBondContact O-N 3.44Å |
| 156 | R | 76.9 | Confident | 83.7 | Confident | 117 Ų | 117 | 47 Ų | 47 | 44% | 0.442 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.8 | -37.6 | -174.7 | -176.7 | 174.9 | 178.7 | 174.6 | 3.1 | 113.4 | H152 G160 | H152-R156 WeakPolarHBondContact O-CB 3.31Å; H152-R156 PolarHBondContact O-N 3.39Å; R156-G160 PolarHBondContact O-N 2.81Å |
| 157 | G | 72.6 | Confident | 83.8 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 55% | 0.546 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -53 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V155 L159 G160 S161 | V155-G157 VanDerWaalsContact C-N 3.28Å; V155-G157 PolarHBondContact O-N 3.26Å; G157-L159 PolarHBondContact O-N 3.25Å; G157-G160 PolarHBondContact O-N 3.45Å; G157-S161 PolarHBondContact O-N 3.26Å |
| 158 | A | 78.8 | Confident | 84 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 60% | 0.603 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.1 | -46 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V155 G160 S161 | V155-A158 PolarHBondContact O-N 3.26Å; A158-G160 VanDerWaalsContact C-N 3.28Å; A158-G160 PolarHBondContact O-N 3.25Å; A158-S161 PolarHBondContact O-N 3.49Å |
| 159 | L | 83.9 | Confident | 84.5 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.5 | -28.9 | 178.6 | -62 | 177 | 0 | 0 | 0 | 112.3 | L27 Y28 V31 I147 S151 V155 G157 S161 C162 P163 | L27-L159 HydrophobicContact CD1-CD1 4.37Å; L27-L159 HydrophobicContact CD2-CD1 3.78Å; L27-L159 HydrophobicContact CG-CD1 3.93Å; Y28-L159 HydrophobicContact CD1-CD1 4.44Å; Y28-L159 HydrophobicContact CD1-CD2 3.84Å; Y28-L159 HydrophobicContact CE1-CD1 4.34Å; Y28-L159 HydrophobicContact CE1-CD2 3.93Å; V31-L159 HydrophobicContact CB-CD2 4.46Å; V31-L159 HydrophobicContact CG1-CD2 4.21Å; V31-L159 HydrophobicContact CG2-CB 4.45Å; V31-L159 HydrophobicContact CG2-CD1 4.07Å; V31-L159 HydrophobicContact CG2-CD2 4.28Å; V31-L159 HydrophobicContact CG2-CG 4.49Å; I147-L159 HydrophobicContact CG2-CB 3.78Å; S151-L159 WeakPolarHBondContact OG-CD1 3.39Å; V155-L159 HydrophobicContact CB-CD1 4.07Å; V155-L159 HydrophobicContact CB-CG 4.33Å; V155-L159 HydrophobicContact CG2-CD1 3.57Å; V155-L159 HydrophobicContact CG2-CG 4.34Å; V155-L159 WeakPolarHBondContact O-CG 3.38Å; V155-L159 PolarHBondContact O-N 3.44Å; G157-L159 PolarHBondContact O-N 3.25Å; L159-S161 PolarHBondContact O-N 3.24Å; L159-C162 WeakPolarHBondContact O-CB 3.38Å; L159-C162 PolarHBondContact O-N 3.33Å; L159-P163 WeakPolarHBondContact O-CD 3.37Å |
| 160 | G | 77.8 | Confident | 84.9 | Confident | 43 Ų | 43 | 49.1 Ų | 49.1 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -23.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | R156 G157 A158 P163 | R156-G160 PolarHBondContact O-N 2.81Å; G157-G160 PolarHBondContact O-N 3.45Å; A158-G160 VanDerWaalsContact C-N 3.28Å; A158-G160 PolarHBondContact O-N 3.25Å; G160-P163 WeakPolarHBondContact O-CD 3.49Å |
| 161 | S | 81.4 | Confident | 85.1 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 22% | 0.217 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -84.5 | -18.9 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | G157 A158 L159 Q164 I165 | G157-S161 PolarHBondContact O-N 3.26Å; A158-S161 PolarHBondContact O-N 3.49Å; L159-S161 PolarHBondContact O-N 3.24Å; S161-Q164 PolarHBondContact O-N 3.3Å; S161-I165 PolarHBondContact O-N 3.33Å |
| 162 | C | 87.7 | Confident | 85.5 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -40.9 | -178.5 | -64.6 | 0 | 0 | 0 | 0 | 114.3 | V31 V35 L159 Q164 I165 T166 | V31-C162 HydrophobicContact CG1-CB 4.2Å; V35-C162 HydrophobicContact CG1-CB 3.96Å; L159-C162 WeakPolarHBondContact O-CB 3.38Å; L159-C162 PolarHBondContact O-N 3.33Å; C162-Q164 VanDerWaalsContact C-N 3.35Å; C162-Q164 PolarHBondContact O-N 3.15Å; C162-I165 PolarHBondContact O-N 3.03Å; C162-T166 VanDerWaalsContact O-CB 3.29Å; C162-T166 WeakPolarHBondContact O-CB 3.39Å; C162-T166 PolarHBondContact O-N 3.19Å; C162-T166 PolarHBondContact O-OG1 3.07Å |
| 163 | P | 89.1 | Confident | 86 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -50.7 | -50.3 | 174.2 | -33 | 39.5 | 0 | 0 | 0 | 113.6 | V35 N38 I143 I147 L159 G160 T166 A167 | V35-P163 HydrophobicContact CG1-CG 4.24Å; N38-P163 VanDerWaalsContact CB-O 3.32Å; N38-P163 WeakPolarHBondContact CB-O 3.45Å; N38-P163 WeakPolarHBondContact ND2-CB 3.46Å; I143-P163 HydrophobicContact CG2-CG 4.22Å; I147-P163 HydrophobicContact CD1-CG 3.52Å; L159-P163 WeakPolarHBondContact O-CD 3.37Å; G160-P163 WeakPolarHBondContact O-CD 3.49Å; P163-T166 PolarHBondContact O-N 3.31Å; P163-A167 WeakPolarHBondContact O-CB 3.31Å; P163-A167 PolarHBondContact O-N 3.4Å |
| 164 | Q | 86.2 | Confident | 86.9 | Confident | 32 Ų | 32 | 41.2 Ų | 41.2 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.9 | -44.5 | -176.5 | -172.8 | 69.4 | 9 | 0 | 0 | 111.6 | S161 C162 T166 A167 V168 V315 P399 | S161-Q164 PolarHBondContact O-N 3.3Å; C162-Q164 VanDerWaalsContact C-N 3.35Å; C162-Q164 PolarHBondContact O-N 3.15Å; Q164-T166 VanDerWaalsContact C-N 3.28Å; Q164-T166 PolarHBondContact O-N 3.46Å; Q164-A167 PolarHBondContact O-N 3.26Å; Q164-V168 WeakPolarHBondContact O-CG2 3.35Å; Q164-V168 PolarHBondContact O-N 2.91Å; Q164-V315 HydrophobicContact CG-CG1 4.05Å; Q164-P399 HydrophobicContact CG-CB 4.3Å |
| 165 | I | 89.4 | Confident | 87.5 | Confident | 57 Ų | 57 | 32.1 Ų | 32.1 | 29% | 0.292 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 176.9 | -66.8 | 167.6 | 0 | 0 | 0 | 110 | S161 C162 A167 V168 F169 L312 V315 | S161-I165 PolarHBondContact O-N 3.33Å; C162-I165 PolarHBondContact O-N 3.03Å; I165-A167 PolarHBondContact O-N 3.33Å; I165-V168 PolarHBondContact O-N 2.89Å; I165-F169 WeakPolarHBondContact O-CB 3.24Å; I165-F169 PolarHBondContact O-N 2.97Å; I165-L312 HydrophobicContact CG2-CD1 4.19Å; I165-V315 HydrophobicContact CG1-CG1 3.63Å |
| 166 | T | 92.6 | Very high | 88.1 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -36 | -177.7 | -50.4 | 0 | 0 | 0 | 0 | 111.9 | V35 F39 C162 P163 Q164 F169 G170 | V35-T166 HydrophobicContact CB-CG2 4.06Å; V35-T166 HydrophobicContact CG2-CG2 4.04Å; V35-T166 WeakPolarHBondContact CG2-OG1 3.41Å; V35-T166 WeakPolarHBondContact O-CG2 3.3Å; F39-T166 HydrophobicContact CB-CG2 3.76Å; C162-T166 VanDerWaalsContact O-CB 3.29Å; C162-T166 WeakPolarHBondContact O-CB 3.39Å; C162-T166 PolarHBondContact O-N 3.19Å; C162-T166 PolarHBondContact O-OG1 3.07Å; P163-T166 PolarHBondContact O-N 3.31Å; Q164-T166 VanDerWaalsContact C-N 3.28Å; Q164-T166 PolarHBondContact O-N 3.46Å; T166-F169 PolarHBondContact O-N 2.85Å; T166-G170 PolarHBondContact O-N 3.29Å |
| 167 | A | 92.3 | Very high | 88.8 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N38 F41 G42 P163 Q164 I165 F169 G170 T171 | N38-A167 HydrophobicContact CB-CB 4.29Å; N38-A167 VanDerWaalsContact O-CA 3.23Å; N38-A167 WeakPolarHBondContact O-CA 3.35Å; N38-A167 WeakPolarHBondContact O-CB 3.47Å; F41-A167 HydrophobicContact CD1-CB 3.97Å; F41-A167 HydrophobicContact CE1-CB 4.43Å; G42-A167 WeakPolarHBondContact CA-O 3.32Å; P163-A167 WeakPolarHBondContact O-CB 3.31Å; P163-A167 PolarHBondContact O-N 3.4Å; Q164-A167 PolarHBondContact O-N 3.26Å; I165-A167 PolarHBondContact O-N 3.33Å; A167-F169 VanDerWaalsContact C-N 3.31Å; A167-F169 PolarHBondContact O-N 2.85Å; A167-G170 PolarHBondContact O-N 3.34Å; A167-T171 PolarHBondContact O-N 3.5Å; A167-T171 PolarHBondContact O-OG1 3.3Å |
| 168 | V | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.8 | -36.5 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | Q164 I165 G170 T171 L172 R311 L312 V315 | Q164-V168 WeakPolarHBondContact O-CG2 3.35Å; Q164-V168 PolarHBondContact O-N 2.91Å; I165-V168 PolarHBondContact O-N 2.89Å; V168-G170 VanDerWaalsContact C-N 3.31Å; V168-G170 PolarHBondContact O-N 3.02Å; V168-T171 WeakPolarHBondContact O-CB 3.48Å; V168-T171 PolarHBondContact O-N 2.83Å; V168-L172 PolarHBondContact O-N 2.76Å; V168-R311 HydrophobicContact CG1-CB 3.98Å; V168-R311 HydrophobicContact CG1-CG 3.66Å; V168-R311 HydrophobicContact CG2-CG 4.28Å; V168-L312 HydrophobicContact CB-CD1 4.34Å; V168-L312 HydrophobicContact CG1-CB 3.96Å; V168-L312 HydrophobicContact CG1-CD1 4.12Å; V168-V315 HydrophobicContact CG2-CG2 3.82Å |
| 169 | F | 93.8 | Very high | 90 | Very high | 101 Ų | 101 | 27.1 Ų | 27.1 | 44% | 0.443 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 172.9 | -174.4 | -115.4 | 0 | 0 | 0 | 112.3 | F39 I165 T166 A167 L172 T173 L312 | F39-F169 AromaticContact CD2-CD1 3.76Å; F39-F169 HydrophobicContact CD2-CD1 3.76Å; F39-F169 HydrophobicContact CD2-CE1 4.35Å; F39-F169 AromaticContact CE2-CD1 3.59Å; F39-F169 HydrophobicContact CE2-CD1 3.59Å; F39-F169 AromaticContact CE2-CE1 3.84Å; F39-F169 HydrophobicContact CE2-CE1 3.84Å; F39-F169 HydrophobicContact CE2-CG 4.49Å; I165-F169 WeakPolarHBondContact O-CB 3.24Å; I165-F169 PolarHBondContact O-N 2.97Å; T166-F169 PolarHBondContact O-N 2.85Å; A167-F169 VanDerWaalsContact C-N 3.31Å; A167-F169 PolarHBondContact O-N 2.85Å; F169-L172 PolarHBondContact O-N 2.82Å; F169-T173 WeakPolarHBondContact O-CB 3.39Å; F169-T173 PolarHBondContact O-N 3.19Å; F169-T173 PolarHBondContact O-OG1 2.84Å; F169-L312 HydrophobicContact CB-CD1 4.24Å; F169-L312 HydrophobicContact CD2-CD2 4.01Å |
| 170 | G | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T166 A167 V168 T173 L174 | T166-G170 PolarHBondContact O-N 3.29Å; A167-G170 PolarHBondContact O-N 3.34Å; V168-G170 VanDerWaalsContact C-N 3.31Å; V168-G170 PolarHBondContact O-N 3.02Å; G170-T173 PolarHBondContact O-N 3.46Å; G170-L174 PolarHBondContact O-N 3Å |
| 171 | T | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -49 | 173.4 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | G42 V46 A167 V168 T173 L174 Y175 R311 | G42-T171 PolarHBondContact O-OG1 3.45Å; V46-T171 HydrophobicContact CB-CG2 4.24Å; V46-T171 HydrophobicContact CG1-CG2 3.92Å; V46-T171 HydrophobicContact CG2-CG2 3.53Å; A167-T171 PolarHBondContact O-N 3.5Å; A167-T171 PolarHBondContact O-OG1 3.3Å; V168-T171 WeakPolarHBondContact O-CB 3.48Å; V168-T171 PolarHBondContact O-N 2.83Å; T171-T173 VanDerWaalsContact C-N 3.33Å; T171-T173 PolarHBondContact O-N 3.36Å; T171-L174 PolarHBondContact O-N 3.15Å; T171-Y175 HydrophobicContact CG2-CD2 3.91Å; T171-Y175 HydrophobicContact CG2-CE2 3.39Å; T171-Y175 PolarHBondContact O-N 2.91Å; T171-Y175 VanDerWaalsContact O-N 3.11Å; T171-R311 PolarHBondContact OG1-NH1 3.24Å |
| 172 | L | 93.8 | Very high | 91.3 | Very high | 33 Ų | 33 | 34 Ų | 34 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 177.3 | 171.8 | 59.9 | 0 | 0 | 0 | 111.6 | V168 F169 L174 Y175 A176 A309 L312 | V168-L172 PolarHBondContact O-N 2.76Å; F169-L172 PolarHBondContact O-N 2.82Å; L172-L174 VanDerWaalsContact C-N 3.3Å; L172-L174 PolarHBondContact O-N 3.35Å; L172-Y175 PolarHBondContact O-N 3.06Å; L172-A176 WeakPolarHBondContact O-CB 3.39Å; L172-A176 PolarHBondContact O-N 3.31Å; L172-A309 HydrophobicContact CD1-CB 4.29Å; L172-L312 HydrophobicContact CD2-CD2 3.81Å |
| 173 | T | 94.6 | Very high | 91.5 | Very high | 33 Ų | 33 | 34 Ų | 34 | 20% | 0.202 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | -179.3 | -56 | 0 | 0 | 0 | 0 | 111.3 | F39 F169 G170 T171 A176 L177 | F39-T173 HydrophobicContact CE2-CG2 4.47Å; F39-T173 WeakPolarHBondContact CE2-OG1 3.09Å; F39-T173 HydrophobicContact CZ-CG2 3.79Å; F169-T173 WeakPolarHBondContact O-CB 3.39Å; F169-T173 PolarHBondContact O-N 3.19Å; F169-T173 PolarHBondContact O-OG1 2.84Å; G170-T173 PolarHBondContact O-N 3.46Å; T171-T173 VanDerWaalsContact C-N 3.33Å; T171-T173 PolarHBondContact O-N 3.36Å; T173-A176 PolarHBondContact O-N 3.04Å; T173-L177 HydrophobicContact CG2-CD1 3.87Å; T173-L177 HydrophobicContact CG2-CG 4.21Å; T173-L177 WeakPolarHBondContact O-CB 3.33Å; T173-L177 VanDerWaalsContact O-CG 3.26Å; T173-L177 WeakPolarHBondContact O-CG 3.41Å; T173-L177 PolarHBondContact O-N 2.96Å |
| 174 | L | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 174.9 | 177.6 | 70.9 | 0 | 0 | 0 | 111.9 | Y43 V46 Y47 P50 G170 T171 L172 A176 L177 G178 L186 | Y43-L174 HydrophobicContact CD1-CD1 4.18Å; Y43-L174 HydrophobicContact CD2-CB 3.64Å; Y43-L174 HydrophobicContact CD2-CD1 4.37Å; Y43-L174 HydrophobicContact CE1-CD1 3.6Å; Y43-L174 HydrophobicContact CE2-CB 3.67Å; Y43-L174 HydrophobicContact CE2-CD1 3.8Å; Y43-L174 HydrophobicContact CE2-CG 4.32Å; Y43-L174 HydrophobicContact CG-CB 4.11Å; Y43-L174 WeakPolarHBondContact O-CD2 3.3Å; Y43-L174 WeakPolarHBondContact OH-CD1 3.48Å; V46-L174 HydrophobicContact CB-CD2 4.26Å; V46-L174 HydrophobicContact CG2-CB 4.41Å; V46-L174 HydrophobicContact CG2-CD2 3.54Å; V46-L174 WeakPolarHBondContact O-CD2 3.39Å; Y47-L174 HydrophobicContact CD2-CD1 4.06Å; P50-L174 HydrophobicContact CG-CG 4.37Å; G170-L174 PolarHBondContact O-N 3Å; T171-L174 PolarHBondContact O-N 3.15Å; L172-L174 VanDerWaalsContact C-N 3.3Å; L172-L174 PolarHBondContact O-N 3.35Å; L174-A176 VanDerWaalsContact C-N 3.33Å; L174-A176 PolarHBondContact O-N 3.25Å; L174-L177 PolarHBondContact O-N 3.21Å; L174-G178 PolarHBondContact O-N 2.87Å; L174-L186 HydrophobicContact CD1-CB 4.32Å; L174-L186 HydrophobicContact CD1-CD1 4.38Å; L174-L186 HydrophobicContact CD1-CD2 4.26Å |
| 175 | Y | 91.5 | Very high | 92 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 178.4 | -65.2 | -31.2 | 0 | 0 | 0 | 111.7 | V46 T171 L172 G178 L284 L287 A304 | V46-Y175 HydrophobicContact CB-CE1 3.85Å; V46-Y175 WeakPolarHBondContact CG1-OH 2.87Å; V46-Y175 HydrophobicContact CG2-CE1 4.01Å; T171-Y175 HydrophobicContact CG2-CD2 3.91Å; T171-Y175 HydrophobicContact CG2-CE2 3.39Å; T171-Y175 PolarHBondContact O-N 2.91Å; T171-Y175 VanDerWaalsContact O-N 3.11Å; L172-Y175 PolarHBondContact O-N 3.06Å; Y175-G178 PolarHBondContact O-N 3.02Å; Y175-L284 PolarHBondContact OH-O 3.43Å; Y175-L284 VanDerWaalsContact OH-O 3.09Å; Y175-L287 HydrophobicContact CE2-CD2 3.91Å; Y175-A304 HydrophobicContact CD1-CB 4.11Å; Y175-A304 HydrophobicContact CD2-CB 4.44Å; Y175-A304 WeakPolarHBondContact CD2-O 3.22Å; Y175-A304 HydrophobicContact CE1-CB 4.42Å; Y175-A304 HydrophobicContact CG-CB 4.14Å |
| 176 | A | 91.8 | Very high | 92.2 | Very high | 44 Ų | 44 | 41.2 Ų | 41.2 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L172 T173 L174 G178 L179 | L172-A176 WeakPolarHBondContact O-CB 3.39Å; L172-A176 PolarHBondContact O-N 3.31Å; T173-A176 PolarHBondContact O-N 3.04Å; L174-A176 VanDerWaalsContact C-N 3.33Å; L174-A176 PolarHBondContact O-N 3.25Å; A176-G178 VanDerWaalsContact C-N 3.28Å; A176-G178 PolarHBondContact O-N 3.2Å; A176-L179 WeakPolarHBondContact O-CB 3.3Å; A176-L179 WeakPolarHBondContact O-CG 3.4Å; A176-L179 PolarHBondContact O-N 3.24Å |
| 177 | L | 92.5 | Very high | 92.2 | Very high | 54 Ų | 54 | 40.1 Ų | 40.1 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.6 | -32.2 | 175.6 | -71.1 | 176.2 | 0 | 0 | 0 | 111.7 | Y43 T173 L174 L179 V180 V181 L186 A189 | Y43-L177 HydrophobicContact CE2-CD1 4.18Å; T173-L177 HydrophobicContact CG2-CD1 3.87Å; T173-L177 HydrophobicContact CG2-CG 4.21Å; T173-L177 WeakPolarHBondContact O-CB 3.33Å; T173-L177 VanDerWaalsContact O-CG 3.26Å; T173-L177 WeakPolarHBondContact O-CG 3.41Å; T173-L177 PolarHBondContact O-N 2.96Å; L174-L177 PolarHBondContact O-N 3.21Å; L177-L179 PolarHBondContact O-N 3.06Å; L177-L179 VanDerWaalsContact O-N 3.16Å; L177-V180 PolarHBondContact O-N 3.07Å; L177-V180 VanDerWaalsContact O-N 3.11Å; L177-V181 HydrophobicContact CB-CG2 4.35Å; L177-V181 HydrophobicContact CD2-CG2 4.13Å; L177-V181 VanDerWaalsContact O-CB 3.3Å; L177-V181 WeakPolarHBondContact O-CB 3.42Å; L177-V181 WeakPolarHBondContact O-CG2 3.4Å; L177-V181 PolarHBondContact O-N 2.96Å; L177-L186 HydrophobicContact CB-CD2 3.51Å; L177-A189 HydrophobicContact CD1-CB 4.21Å |
| 178 | G | 88.8 | Confident | 92.3 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -23.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L174 Y175 A176 | L174-G178 PolarHBondContact O-N 2.87Å; Y175-G178 PolarHBondContact O-N 3.02Å; A176-G178 VanDerWaalsContact C-N 3.28Å; A176-G178 PolarHBondContact O-N 3.2Å |
| 179 | L | 87.6 | Confident | 92.4 | Very high | 56 Ų | 56 | 44.7 Ų | 44.7 | 29% | 0.293 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.7 | -38.1 | 175.7 | -55.9 | -177.7 | 0 | 0 | 0 | 112.8 | A176 L177 R301 Y302 A305 | A176-L179 WeakPolarHBondContact O-CB 3.3Å; A176-L179 WeakPolarHBondContact O-CG 3.4Å; A176-L179 PolarHBondContact O-N 3.24Å; L177-L179 PolarHBondContact O-N 3.06Å; L177-L179 VanDerWaalsContact O-N 3.16Å; L179-R301 VanDerWaalsContact CD2-C 3.5Å; L179-R301 HydrophobicContact CD2-CB 3.65Å; L179-R301 VanDerWaalsContact CD2-O 3.25Å; L179-R301 WeakPolarHBondContact CD2-O 3.44Å; L179-Y302 HydrophobicContact CD1-CD1 4.28Å; L179-Y302 HydrophobicContact CD1-CE1 4.44Å; L179-Y302 HydrophobicContact CD2-CD1 4.38Å; L179-A305 HydrophobicContact CD1-CB 4.23Å |
| 180 | V | 89.4 | Confident | 92.2 | Very high | 121 Ų | 121 | 39.9 Ų | 39.9 | 73% | 0.733 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -116.3 | -20.9 | -167.5 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | L177 | L177-V180 PolarHBondContact O-N 3.07Å; L177-V180 VanDerWaalsContact O-N 3.11Å |
| 181 | V | 90.8 | Very high | 92.1 | Very high | 33 Ų | 33 | 41 Ų | 41 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -109.1 | 135.1 | -171.5 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | L177 W185 L186 | L177-V181 HydrophobicContact CB-CG2 4.35Å; L177-V181 HydrophobicContact CD2-CG2 4.13Å; L177-V181 VanDerWaalsContact O-CB 3.3Å; L177-V181 WeakPolarHBondContact O-CB 3.42Å; L177-V181 WeakPolarHBondContact O-CG2 3.4Å; L177-V181 PolarHBondContact O-N 2.96Å; V181-W185 HydrophobicContact CG1-CB 3.24Å; V181-W185 HydrophobicContact CG1-CG 4.38Å; V181-L186 HydrophobicContact CB-CD2 3.88Å; V181-L186 HydrophobicContact CB-CG 4.34Å; V181-L186 HydrophobicContact CG1-CD2 4.22Å; V181-L186 HydrophobicContact CG1-CG 4.36Å |
| 182 | P | 91.1 | Very high | 92.1 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 49% | 0.494 | 25% | 0.252 | S | S | . | . | trans | -60.7 | 151.1 | 170.7 | -22.2 | 32.8 | 0 | 0 | 0 | 112.5 | R184 W185 L186 | P182-R184 VanDerWaalsContact C-N 3.29Å; P182-R184 PolarHBondContact O-N 3.32Å; P182-R184 VanDerWaalsContact O-N 3.15Å; P182-W185 PolarHBondContact O-N 3.47Å; P182-L186 PolarHBondContact O-N 2.95Å | ||
| 183 | W | 90.8 | Very high | 92.1 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -35.8 | -171.7 | 68.9 | -95.9 | 0 | 0 | 0 | 114.1 | Y47 V51 L55 L64 M116 A119 L125 W185 L186 A187 | Y47-W183 PolarHBondContact OH-O 2.93Å; V51-W183 HydrophobicContact CB-CB 4.38Å; V51-W183 HydrophobicContact CG1-CB 4.03Å; V51-W183 HydrophobicContact CG1-CD2 4.44Å; V51-W183 HydrophobicContact CG1-CE3 4.42Å; V51-W183 HydrophobicContact CG1-CG 4.31Å; V51-W183 HydrophobicContact CG2-CB 3.71Å; L55-W183 HydrophobicContact CD2-CZ2 4.17Å; L64-W183 HydrophobicContact CD1-CH2 4.19Å; L64-W183 HydrophobicContact CD1-CZ2 4.03Å; M116-W183 WeakPolarHBondContact O-CZ3 3.15Å; A119-W183 HydrophobicContact CB-CH2 4.47Å; L125-W183 HydrophobicContact CD2-CH2 4.29Å; L125-W183 HydrophobicContact CD2-CZ3 3.95Å; W183-W185 VanDerWaalsContact C-N 3.33Å; W183-W185 PolarHBondContact O-N 3.43Å; W183-L186 WeakPolarHBondContact O-CB 3.4Å; W183-L186 PolarHBondContact O-N 2.96Å; W183-A187 PolarHBondContact O-N 3.23Å |
| 184 | R | 92.9 | Very high | 91.9 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.3 | -68.8 | -177.2 | 177.2 | -91.4 | 1.5 | 112.2 | G117 A119 P182 L186 A187 V188 | G117-R184 PolarHBondContact O-NH1 2.91Å; A119-R184 PolarHBondContact O-NH1 3.1Å; A119-R184 PolarHBondContact O-NH2 3.36Å; P182-R184 VanDerWaalsContact C-N 3.29Å; P182-R184 PolarHBondContact O-N 3.32Å; P182-R184 VanDerWaalsContact O-N 3.15Å; R184-L186 VanDerWaalsContact C-N 3.34Å; R184-A187 WeakPolarHBondContact O-CB 3.43Å; R184-A187 PolarHBondContact O-N 3.48Å; R184-V188 PolarHBondContact O-N 2.87Å |
| 185 | W | 93.8 | Very high | 91.8 | Very high | 164 Ų | 164 | 46.9 Ų | 46.9 | 62% | 0.621 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -73.9 | -25.4 | 178 | -72.6 | 111.4 | 0 | 0 | 0 | 112.2 | V181 P182 W183 A187 V188 A189 | V181-W185 HydrophobicContact CG1-CB 3.24Å; V181-W185 HydrophobicContact CG1-CG 4.38Å; P182-W185 PolarHBondContact O-N 3.47Å; W183-W185 VanDerWaalsContact C-N 3.33Å; W183-W185 PolarHBondContact O-N 3.43Å; W185-A187 VanDerWaalsContact C-N 3.34Å; W185-V188 HydrophobicContact CE3-CB 4.18Å; W185-V188 HydrophobicContact CE3-CG1 4.24Å; W185-V188 HydrophobicContact CE3-CG2 4.34Å; W185-V188 HydrophobicContact CZ3-CG1 4.34Å; W185-V188 PolarHBondContact O-N 3.43Å; W185-A189 WeakPolarHBondContact O-CB 3.19Å; W185-A189 PolarHBondContact O-N 3.43Å |
| 186 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 167.2 | -63.6 | 173 | 0 | 0 | 0 | 110.9 | Y43 Y47 P50 V51 L174 L177 V181 P182 W183 R184 V188 A189 G190 | Y43-L186 PolarHBondContact OH-O 3.31Å; Y47-L186 HydrophobicContact CE2-CB 3.86Å; P50-L186 HydrophobicContact CB-CD1 4.45Å; P50-L186 HydrophobicContact CG-CD1 4.23Å; V51-L186 HydrophobicContact CG2-CD1 4.4Å; L174-L186 HydrophobicContact CD1-CB 4.32Å; L174-L186 HydrophobicContact CD1-CD1 4.38Å; L174-L186 HydrophobicContact CD1-CD2 4.26Å; L177-L186 HydrophobicContact CB-CD2 3.51Å; V181-L186 HydrophobicContact CB-CD2 3.88Å; V181-L186 HydrophobicContact CB-CG 4.34Å; V181-L186 HydrophobicContact CG1-CD2 4.22Å; V181-L186 HydrophobicContact CG1-CG 4.36Å; P182-L186 PolarHBondContact O-N 2.95Å; W183-L186 WeakPolarHBondContact O-CB 3.4Å; W183-L186 PolarHBondContact O-N 2.96Å; R184-L186 VanDerWaalsContact C-N 3.34Å; L186-V188 VanDerWaalsContact C-N 3.35Å; L186-V188 PolarHBondContact O-N 3.35Å; L186-A189 PolarHBondContact O-N 3.13Å; L186-G190 PolarHBondContact O-N 2.81Å; L186-G190 VanDerWaalsContact O-N 3.15Å |
| 187 | A | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y47 Y113 M116 W183 R184 W185 A189 G190 | Y47-A187 HydrophobicContact CE2-CB 4.2Å; Y113-A187 WeakPolarHBondContact CB-O 3.42Å; Y113-A187 WeakPolarHBondContact CD1-O 3.22Å; M116-A187 HydrophobicContact CB-CB 3.92Å; W183-A187 PolarHBondContact O-N 3.23Å; R184-A187 WeakPolarHBondContact O-CB 3.43Å; R184-A187 PolarHBondContact O-N 3.48Å; W185-A187 VanDerWaalsContact C-N 3.34Å; A187-A189 PolarHBondContact O-N 3.37Å; A187-G190 PolarHBondContact O-N 3.21Å |
| 188 | V | 93.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 42% | 0.418 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 177.5 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | R184 W185 L186 G190 C191 | R184-V188 PolarHBondContact O-N 2.87Å; W185-V188 HydrophobicContact CE3-CB 4.18Å; W185-V188 HydrophobicContact CE3-CG1 4.24Å; W185-V188 HydrophobicContact CE3-CG2 4.34Å; W185-V188 HydrophobicContact CZ3-CG1 4.34Å; W185-V188 PolarHBondContact O-N 3.43Å; L186-V188 VanDerWaalsContact C-N 3.35Å; L186-V188 PolarHBondContact O-N 3.35Å; V188-G190 PolarHBondContact O-N 2.93Å; V188-C191 VanDerWaalsContact O-CB 3.31Å; V188-C191 WeakPolarHBondContact O-CB 3.49Å; V188-C191 PolarHBondContact O-N 2.94Å |
| 189 | A | 93.9 | Very high | 92.4 | Very high | 32 Ų | 32 | 51.3 Ų | 51.3 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.7 | -33 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L177 W185 L186 A187 C191 V192 P193 | L177-A189 HydrophobicContact CD1-CB 4.21Å; W185-A189 WeakPolarHBondContact O-CB 3.19Å; W185-A189 PolarHBondContact O-N 3.43Å; L186-A189 PolarHBondContact O-N 3.13Å; A187-A189 PolarHBondContact O-N 3.37Å; A189-C191 VanDerWaalsContact C-N 3.26Å; A189-C191 PolarHBondContact O-N 3.46Å; A189-V192 WeakPolarHBondContact O-CB 3.34Å; A189-V192 PolarHBondContact O-N 3.44Å; A189-P193 VanDerWaalsContact O-CD 3.25Å; A189-P193 WeakPolarHBondContact O-CD 3.41Å |
| 190 | G | 90.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -24.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N40 Y113 L186 A187 V188 V192 P193 | N40-G190 PolarHBondContact OD1-O 3.29Å; N40-G190 VanDerWaalsContact OD1-O 3.07Å; Y113-G190 VanDerWaalsContact CD2-C 3.49Å; Y113-G190 WeakPolarHBondContact CE2-O 3.44Å; L186-G190 PolarHBondContact O-N 2.81Å; L186-G190 VanDerWaalsContact O-N 3.15Å; A187-G190 PolarHBondContact O-N 3.21Å; V188-G190 PolarHBondContact O-N 2.93Å; G190-V192 VanDerWaalsContact C-N 3.34Å; G190-V192 PolarHBondContact O-N 2.98Å; G190-P193 WeakPolarHBondContact O-CD 3.46Å; G190-P193 WeakPolarHBondContact O-CG 3.43Å |
| 191 | C | 93 | Very high | 92.8 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -33.1 | 175.7 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | Y113 V188 A189 A194 V195 | Y113-C191 WeakPolarHBondContact CB-SG 3.43Å; V188-C191 VanDerWaalsContact O-CB 3.31Å; V188-C191 WeakPolarHBondContact O-CB 3.49Å; V188-C191 PolarHBondContact O-N 2.94Å; A189-C191 VanDerWaalsContact C-N 3.26Å; A189-C191 PolarHBondContact O-N 3.46Å; C191-A194 WeakPolarHBondContact O-CB 3.21Å; C191-A194 PolarHBondContact O-N 2.88Å; C191-A194 VanDerWaalsContact O-N 3.09Å; C191-V195 WeakPolarHBondContact O-CG2 3.37Å; C191-V195 PolarHBondContact O-N 2.99Å |
| 192 | V | 93.1 | Very high | 93 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 61% | 0.606 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -56.1 | -56 | -175.1 | 178.7 | 0 | 0 | 0 | 0 | 112.5 | A189 G190 A194 V195 L196 | A189-V192 WeakPolarHBondContact O-CB 3.34Å; A189-V192 PolarHBondContact O-N 3.44Å; G190-V192 VanDerWaalsContact C-N 3.34Å; G190-V192 PolarHBondContact O-N 2.98Å; V192-A194 VanDerWaalsContact C-N 3.25Å; V192-A194 PolarHBondContact O-N 2.88Å; V192-V195 PolarHBondContact O-N 3.37Å; V192-L196 WeakPolarHBondContact O-CB 3.4Å; V192-L196 PolarHBondContact O-N 3.21Å |
| 193 | P | 92.3 | Very high | 93 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -26.7 | 176.5 | 26.1 | -36.7 | 0 | 0 | 0 | 113.2 | F39 N40 A189 G190 M197 | F39-P193 HydrophobicContact CD1-CB 3.72Å; F39-P193 HydrophobicContact CD1-CG 3.71Å; F39-P193 HydrophobicContact CE1-CB 4.11Å; F39-P193 HydrophobicContact CE1-CG 3.77Å; N40-P193 VanDerWaalsContact OD1-CG 3.28Å; N40-P193 WeakPolarHBondContact OD1-CG 3.17Å; A189-P193 VanDerWaalsContact O-CD 3.25Å; A189-P193 WeakPolarHBondContact O-CD 3.41Å; G190-P193 WeakPolarHBondContact O-CD 3.46Å; G190-P193 WeakPolarHBondContact O-CG 3.43Å; P193-M197 VanDerWaalsContact O-CB 3.23Å; P193-M197 WeakPolarHBondContact O-CB 3.23Å; P193-M197 PolarHBondContact O-N 3.02Å |
| 194 | A | 91.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -47 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N40 C191 V192 M197 V198 | N40-A194 WeakPolarHBondContact ND2-CA 3.36Å; N40-A194 VanDerWaalsContact ND2-CB 3.26Å; N40-A194 WeakPolarHBondContact ND2-CB 3.22Å; N40-A194 PolarHBondContact ND2-N 3.32Å; C191-A194 WeakPolarHBondContact O-CB 3.21Å; C191-A194 PolarHBondContact O-N 2.88Å; C191-A194 VanDerWaalsContact O-N 3.09Å; V192-A194 VanDerWaalsContact C-N 3.25Å; V192-A194 PolarHBondContact O-N 2.88Å; A194-M197 WeakPolarHBondContact O-CB 3.49Å; A194-M197 PolarHBondContact O-N 3.13Å; A194-V198 PolarHBondContact O-N 2.93Å |
| 195 | V | 92.5 | Very high | 93 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 46% | 0.461 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.7 | -44.4 | 177.6 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | C191 V192 M197 V198 V199 | C191-V195 WeakPolarHBondContact O-CG2 3.37Å; C191-V195 PolarHBondContact O-N 2.99Å; V192-V195 PolarHBondContact O-N 3.37Å; V195-M197 VanDerWaalsContact C-N 3.29Å; V195-M197 PolarHBondContact O-N 3.27Å; V195-V198 PolarHBondContact O-N 2.84Å; V195-V198 VanDerWaalsContact O-N 3.12Å; V195-V199 HydrophobicContact CG1-CG2 4.29Å; V195-V199 WeakPolarHBondContact O-CG2 3.46Å; V195-V199 PolarHBondContact O-N 3.16Å |
| 196 | L | 94.3 | Very high | 92.8 | Very high | 77 Ų | 77 | 40.5 Ų | 40.5 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.8 | -41.7 | 177.4 | -176.4 | 62.5 | 0 | 0 | 0 | 111.8 | L36 V192 V198 V199 L200 | L36-L196 HydrophobicContact CD1-CB 4.26Å; L36-L196 HydrophobicContact CD1-CD2 3.89Å; L36-L196 HydrophobicContact CD1-CG 3.77Å; V192-L196 WeakPolarHBondContact O-CB 3.4Å; V192-L196 PolarHBondContact O-N 3.21Å; L196-V198 PolarHBondContact O-N 3.46Å; L196-V199 PolarHBondContact O-N 2.98Å; L196-L200 HydrophobicContact CD1-CD1 3.96Å; L196-L200 HydrophobicContact CD1-CG 4.04Å; L196-L200 HydrophobicContact CG-CD1 3.93Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 WeakPolarHBondContact O-CB 3.5Å; L196-L200 VanDerWaalsContact O-CG 3.32Å; L196-L200 WeakPolarHBondContact O-CG 3.3Å; L196-L200 PolarHBondContact O-N 3.3Å |
| 197 | M | 93.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.9 | -48.1 | 174.3 | -179.2 | -165.3 | 68.4 | 0 | 0 | 111.5 | S33 L36 G37 I102 A106 P193 A194 V195 L201 | S33-M197 WeakPolarHBondContact O-CG 3.49Å; L36-M197 HydrophobicContact CB-CB 3.77Å; L36-M197 HydrophobicContact CB-CG 4.14Å; L36-M197 HydrophobicContact CD1-CB 4.4Å; G37-M197 WeakPolarHBondContact CA-SD 3.47Å; G37-M197 PolarHBondContact N-SD 3.3Å; I102-M197 HydrophobicContact CG2-CE 4.33Å; I102-M197 HydrophobicContact CG2-SD 3.77Å; I102-M197 WeakPolarHBondContact O-CE 3.44Å; A106-M197 HydrophobicContact CB-CE 3.94Å; P193-M197 VanDerWaalsContact O-CB 3.23Å; P193-M197 WeakPolarHBondContact O-CB 3.23Å; P193-M197 PolarHBondContact O-N 3.02Å; A194-M197 WeakPolarHBondContact O-CB 3.49Å; A194-M197 PolarHBondContact O-N 3.13Å; V195-M197 VanDerWaalsContact C-N 3.29Å; V195-M197 PolarHBondContact O-N 3.27Å; M197-L201 HydrophobicContact CG-CD1 3.76Å; M197-L201 HydrophobicContact CG-CG 4.47Å; M197-L201 VanDerWaalsContact O-CB 3.23Å; M197-L201 WeakPolarHBondContact O-CB 3.12Å; M197-L201 VanDerWaalsContact O-CG 3.32Å; M197-L201 WeakPolarHBondContact O-CG 2.91Å; M197-L201 PolarHBondContact O-N 3.43Å; M197-L201 HydrophobicContact SD-CD1 4.44Å |
| 198 | V | 94.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -50.8 | 179.8 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | M103 A106 A194 V195 L196 L200 L201 V202 | M103-V198 HydrophobicContact CE-CG1 4.29Å; A106-V198 HydrophobicContact CB-CG2 3.13Å; A194-V198 PolarHBondContact O-N 2.93Å; V195-V198 PolarHBondContact O-N 2.84Å; V195-V198 VanDerWaalsContact O-N 3.12Å; L196-V198 PolarHBondContact O-N 3.46Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 3.5Å; V198-L201 PolarHBondContact O-N 3.3Å; V198-V202 HydrophobicContact CG1-CG2 4.47Å; V198-V202 WeakPolarHBondContact O-CG2 3.4Å; V198-V202 PolarHBondContact O-N 3.12Å |
| 199 | V | 94.8 | Very high | 92 | Very high | 75 Ų | 75 | 41.1 Ų | 41.1 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.1 | -47.6 | -178.1 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | V195 L196 F203 | V195-V199 HydrophobicContact CG1-CG2 4.29Å; V195-V199 WeakPolarHBondContact O-CG2 3.46Å; V195-V199 PolarHBondContact O-N 3.16Å; L196-V199 PolarHBondContact O-N 2.98Å; V199-F203 HydrophobicContact CG1-CE2 4.4Å; V199-F203 WeakPolarHBondContact O-CD2 3.2Å; V199-F203 VanDerWaalsContact O-CE2 3.29Å; V199-F203 WeakPolarHBondContact O-CE2 3.34Å |
| 200 | L | 94 | Very high | 91.6 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.2 | -42.3 | 179.8 | -65.9 | 177.1 | 0 | 0 | 0 | 112.3 | F32 S33 L36 L196 V198 V202 F203 M204 | F32-L200 HydrophobicContact CD1-CD1 4.26Å; F32-L200 HydrophobicContact CE1-CD1 4.11Å; S33-L200 WeakPolarHBondContact OG-CB 3.32Å; L36-L200 HydrophobicContact CD1-CD1 3.88Å; L196-L200 HydrophobicContact CD1-CD1 3.96Å; L196-L200 HydrophobicContact CD1-CG 4.04Å; L196-L200 HydrophobicContact CG-CD1 3.93Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 WeakPolarHBondContact O-CB 3.5Å; L196-L200 VanDerWaalsContact O-CG 3.32Å; L196-L200 WeakPolarHBondContact O-CG 3.3Å; L196-L200 PolarHBondContact O-N 3.3Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 3.5Å; L200-V202 VanDerWaalsContact C-N 3.32Å; L200-V202 PolarHBondContact O-N 3.17Å; L200-F203 PolarHBondContact O-N 3.44Å; L200-M204 WeakPolarHBondContact O-CG 3.3Å |
| 201 | L | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -29.7 | -179 | -81.9 | 174.6 | 0 | 0 | 0 | 113.5 | A34 K99 I102 M103 Y146 M197 V198 F203 M204 | A34-L201 HydrophobicContact CB-CD2 4.28Å; K99-L201 WeakPolarHBondContact CE-O 3.19Å; K99-L201 PolarHBondContact NZ-O 3.41Å; I102-L201 HydrophobicContact CB-CD1 4.16Å; I102-L201 HydrophobicContact CG2-CD1 3.45Å; I102-L201 VanDerWaalsContact CG2-CD1 3.45Å; M103-L201 HydrophobicContact CG-CB 3.96Å; M103-L201 HydrophobicContact CG-CD1 4.15Å; M103-L201 HydrophobicContact SD-CB 4.26Å; Y146-L201 HydrophobicContact CE1-CD2 4.49Å; M197-L201 HydrophobicContact CG-CD1 3.76Å; M197-L201 HydrophobicContact CG-CG 4.47Å; M197-L201 VanDerWaalsContact O-CB 3.23Å; M197-L201 WeakPolarHBondContact O-CB 3.12Å; M197-L201 VanDerWaalsContact O-CG 3.32Å; M197-L201 WeakPolarHBondContact O-CG 2.91Å; M197-L201 PolarHBondContact O-N 3.43Å; M197-L201 HydrophobicContact SD-CD1 4.44Å; V198-L201 PolarHBondContact O-N 3.3Å; L201-F203 PolarHBondContact O-N 3.45Å; L201-M204 HydrophobicContact CD2-CB 4.41Å; L201-M204 HydrophobicContact CD2-CG 4.37Å; L201-M204 PolarHBondContact O-N 2.96Å |
| 202 | V | 93.3 | Very high | 91.2 | Very high | 76 Ų | 76 | 42 Ų | 42 | 46% | 0.461 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -51.2 | -44.2 | 175.9 | 167.6 | 0 | 0 | 0 | 0 | 110.6 | K99 M103 V198 L200 M204 | K99-V202 PolarHBondContact NZ-O 3.08Å; M103-V202 HydrophobicContact CE-CG2 3.49Å; M103-V202 VanDerWaalsContact CE-CG2 3.49Å; V198-V202 HydrophobicContact CG1-CG2 4.47Å; V198-V202 WeakPolarHBondContact O-CG2 3.4Å; V198-V202 PolarHBondContact O-N 3.12Å; L200-V202 VanDerWaalsContact C-N 3.32Å; L200-V202 PolarHBondContact O-N 3.17Å; V202-M204 VanDerWaalsContact C-N 3.35Å; V202-M204 PolarHBondContact O-N 3.24Å |
| 203 | F | 92.1 | Very high | 90.8 | Very high | 151 Ų | 151 | 40 Ų | 40 | 66% | 0.662 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -11.8 | -178.3 | -57.2 | -72.3 | 0 | 0 | 0 | 114.7 | V199 L200 L201 | V199-F203 HydrophobicContact CG1-CE2 4.4Å; V199-F203 WeakPolarHBondContact O-CD2 3.2Å; V199-F203 VanDerWaalsContact O-CE2 3.29Å; V199-F203 WeakPolarHBondContact O-CE2 3.34Å; L200-F203 PolarHBondContact O-N 3.44Å; L201-F203 PolarHBondContact O-N 3.45Å |
| 204 | M | 92.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -83.7 | 147 | -178.4 | -60.3 | -56.8 | 117.3 | 0 | 0 | 111.7 | L29 A30 K99 L200 L201 V202 W226 | L29-M204 HydrophobicContact CD2-CE 3.67Å; L29-M204 HydrophobicContact CD2-SD 4.43Å; L29-M204 HydrophobicContact CG-CE 3.75Å; L29-M204 HydrophobicContact CG-SD 4.1Å; A30-M204 WeakPolarHBondContact CA-SD 3.35Å; A30-M204 HydrophobicContact CB-CB 4.42Å; A30-M204 HydrophobicContact CB-CG 4.18Å; A30-M204 HydrophobicContact CB-SD 3.75Å; K99-M204 WeakPolarHBondContact CE-O 3.36Å; K99-M204 PolarHBondContact NZ-O 2.8Å; L200-M204 WeakPolarHBondContact O-CG 3.3Å; L201-M204 HydrophobicContact CD2-CB 4.41Å; L201-M204 HydrophobicContact CD2-CG 4.37Å; L201-M204 PolarHBondContact O-N 2.96Å; V202-M204 VanDerWaalsContact C-N 3.35Å; V202-M204 PolarHBondContact O-N 3.24Å; M204-W226 HydrophobicContact CE-CH2 4.19Å; M204-W226 HydrophobicContact CE-CZ2 4.37Å; M204-W226 HydrophobicContact SD-CH2 3.42Å; M204-W226 WeakPolarHBondContact SD-CH2 3.29Å; M204-W226 HydrophobicContact SD-CZ2 4.14Å; M204-W226 HydrophobicContact SD-CZ3 4.21Å |
| 205 | P | 90.5 | Very high | 90.3 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 152.6 | 178.4 | 29.9 | -35.5 | 0 | 0 | 0 | 112.3 | Y146 A223 W226 L227 | Y146-P205 PolarHBondContact OH-O 3.28Å; P205-A223 HydrophobicContact CB-CB 3.86Å; P205-W226 VanDerWaalsContact CD-CE3 3.42Å; P205-W226 HydrophobicContact CG-CD2 4.04Å; P205-W226 HydrophobicContact CG-CE3 3.42Å; P205-W226 VanDerWaalsContact CG-CE3 3.42Å; P205-W226 HydrophobicContact CG-CZ3 3.82Å; P205-L227 HydrophobicContact CG-CD1 4.38Å; P205-L227 HydrophobicContact CG-CD2 4.03Å; P205-L227 HydrophobicContact CG-CG 3.97Å |
| 206 | S | 89.5 | Confident | 90.2 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -67 | 158.4 | 166.3 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 207 | S | 88.9 | Confident | 90 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 126.4 | 177 | 165.6 | 0 | 0 | 0 | 0 | 111.6 | E149 R209 R210 L211 | E149-S207 WeakPolarHBondContact CB-OG 3.46Å; E149-S207 WeakPolarHBondContact OE2-CB 3.36Å; E149-S207 PolarHBondContact OE2-OG 3.42Å; S207-R209 PolarHBondContact O-N 2.88Å; S207-R209 PolarHBondContact OG-N 3.25Å; S207-R210 WeakPolarHBondContact O-CB 3.2Å; S207-R210 PolarHBondContact O-N 3.46Å; S207-R210 VanDerWaalsContact O-N 3.09Å; S207-R210 PolarHBondContact OG-N 3.08Å; S207-L211 PolarHBondContact O-N 2.88Å; S207-L211 VanDerWaalsContact O-N 3.12Å |
| 208 | P | 88.6 | Confident | 89.9 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.7 | -38.3 | 176.2 | -25.8 | 34.4 | 0 | 0 | 0 | 112.5 | R210 L211 L212 A223 L224 L227 | P208-R210 VanDerWaalsContact C-N 3.33Å; P208-R210 PolarHBondContact O-N 2.87Å; P208-L211 PolarHBondContact O-N 2.98Å; P208-L212 WeakPolarHBondContact O-CG 3.1Å; P208-L212 PolarHBondContact O-N 3.05Å; P208-A223 HydrophobicContact CG-CB 4.33Å; P208-L224 HydrophobicContact CB-CD1 4.42Å; P208-L224 HydrophobicContact CG-CB 4.4Å; P208-L224 HydrophobicContact CG-CD1 4.03Å; P208-L227 HydrophobicContact CG-CD1 3.89Å |
| 209 | R | 87.2 | Confident | 89.7 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 176.6 | -174.4 | 178.6 | -177.4 | 155.1 | 3.6 | 112 | S207 S213 I241 I245 | S207-R209 PolarHBondContact O-N 2.88Å; S207-R209 PolarHBondContact OG-N 3.25Å; R209-S213 PolarHBondContact O-N 3.03Å; R209-I241 HydrophobicContact CB-CG2 4.05Å; R209-I241 HydrophobicContact CG-CG2 4.01Å; R209-I245 HydrophobicContact CG-CD1 4.16Å; R209-I245 HydrophobicContact CG-CG1 4.44Å |
| 210 | R | 84.6 | Confident | 89.5 | Confident | 47 Ų | 47 | 57 Ų | 57 | 18% | 0.177 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 176.2 | 177 | 57.6 | 176.4 | 169.2 | -8.7 | 111.2 | D94 L95 S207 P208 L212 S213 L214 | D94-R210 VanDerWaalsContact O-CZ 3.27Å; D94-R210 PolarHBondContact O-NH1 3.18Å; D94-R210 PolarHBondContact O-NH2 3.31Å; L95-R210 PolarHBondContact O-NH2 2.83Å; S207-R210 WeakPolarHBondContact O-CB 3.2Å; S207-R210 PolarHBondContact O-N 3.46Å; S207-R210 VanDerWaalsContact O-N 3.09Å; S207-R210 PolarHBondContact OG-N 3.08Å; P208-R210 VanDerWaalsContact C-N 3.33Å; P208-R210 PolarHBondContact O-N 2.87Å; R210-L212 VanDerWaalsContact C-N 3.33Å; R210-L212 PolarHBondContact O-N 3.24Å; R210-S213 WeakPolarHBondContact CA-OG 3.44Å; R210-S213 PolarHBondContact O-N 3.42Å; R210-S213 PolarHBondContact O-OG 3.15Å; R210-L214 HydrophobicContact CG-CD1 4.31Å; R210-L214 WeakPolarHBondContact O-CG 3.35Å; R210-L214 PolarHBondContact O-N 3.07Å; R210-L214 VanDerWaalsContact O-N 3.15Å |
| 211 | L | 87.9 | Confident | 89.4 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 179.8 | -67.3 | 168.8 | 0 | 0 | 0 | 111.8 | S207 P208 L214 G215 Q216 K219 A220 A223 | S207-L211 PolarHBondContact O-N 2.88Å; S207-L211 VanDerWaalsContact O-N 3.12Å; P208-L211 PolarHBondContact O-N 2.98Å; L211-L214 PolarHBondContact O-N 3.09Å; L211-G215 PolarHBondContact O-N 3.45Å; L211-Q216 PolarHBondContact O-N 2.88Å; L211-K219 HydrophobicContact CD1-CB 4.2Å; L211-K219 HydrophobicContact CD2-CB 4.21Å; L211-A220 HydrophobicContact CB-CB 3.7Å; L211-A223 HydrophobicContact CD1-CB 3.86Å |
| 212 | L | 88.4 | Confident | 89.3 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 172.5 | -71.9 | 174.6 | 0 | 0 | 0 | 112.5 | P208 R210 L214 G215 E217 A220 L238 I241 I245 | P208-L212 WeakPolarHBondContact O-CG 3.1Å; P208-L212 PolarHBondContact O-N 3.05Å; R210-L212 VanDerWaalsContact C-N 3.33Å; R210-L212 PolarHBondContact O-N 3.24Å; L212-L214 PolarHBondContact O-N 3.21Å; L212-L214 VanDerWaalsContact O-N 3.12Å; L212-G215 PolarHBondContact O-N 2.99Å; L212-E217 HydrophobicContact CD2-CB 4.35Å; L212-E217 HydrophobicContact CD2-CG 3.94Å; L212-A220 HydrophobicContact CD2-CB 3.72Å; L212-A220 HydrophobicContact CG-CB 3.63Å; L212-L238 HydrophobicContact CD1-CD2 3.91Å; L212-L238 HydrophobicContact CD2-CD2 4.21Å; L212-L238 HydrophobicContact CG-CD2 4.34Å; L212-I241 HydrophobicContact CD1-CB 3.79Å; L212-I241 HydrophobicContact CD1-CG2 3.55Å; L212-I245 HydrophobicContact CB-CD1 3.78Å |
| 213 | S | 83.6 | Confident | 89.2 | Confident | 58 Ų | 58 | 62 Ų | 62 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -18.1 | 176.1 | 73.1 | 0 | 0 | 0 | 0 | 114 | R209 R210 | R209-S213 PolarHBondContact O-N 3.03Å; R210-S213 WeakPolarHBondContact CA-OG 3.44Å; R210-S213 PolarHBondContact O-N 3.42Å; R210-S213 PolarHBondContact O-OG 3.15Å |
| 214 | L | 86.3 | Confident | 89.2 | Confident | 89 Ų | 89 | 54.9 Ų | 54.9 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 6.3 | 174.4 | -66.8 | 172.8 | 0 | 0 | 0 | 113 | R210 L211 L212 Q216 | R210-L214 HydrophobicContact CG-CD1 4.31Å; R210-L214 WeakPolarHBondContact O-CG 3.35Å; R210-L214 PolarHBondContact O-N 3.07Å; R210-L214 VanDerWaalsContact O-N 3.15Å; L211-L214 PolarHBondContact O-N 3.09Å; L212-L214 PolarHBondContact O-N 3.21Å; L212-L214 VanDerWaalsContact O-N 3.12Å; L214-Q216 HydrophobicContact CB-CG 4.3Å; L214-Q216 PolarHBondContact O-N 2.87Å |
| 215 | G | 87 | Confident | 89.1 | Confident | 62 Ų | 62 | 59.6 Ų | 59.6 | 64% | 0.639 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 12 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L211 L212 E217 | L211-G215 PolarHBondContact O-N 3.45Å; L212-G215 PolarHBondContact O-N 2.99Å; G215-E217 PolarHBondContact O-N 3.43Å |
| 216 | Q | 90.4 | Very high | 89.1 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 34% | 0.341 | 30% | 0.304 | S | S | . | . | trans | -93.4 | 64.1 | -177.1 | -62.8 | -176.1 | -9.9 | 0 | 0 | 111.8 | L211 L214 Q218 K219 A220 | L211-Q216 PolarHBondContact O-N 2.88Å; L214-Q216 HydrophobicContact CB-CG 4.3Å; L214-Q216 PolarHBondContact O-N 2.87Å; Q216-Q218 PolarHBondContact O-N 2.69Å; Q216-K219 HydrophobicContact CB-CB 4.27Å; Q216-K219 HydrophobicContact CB-CD 4.36Å; Q216-K219 PolarHBondContact O-N 3.25Å; Q216-A220 PolarHBondContact O-N 3.43Å | ||
| 217 | E | 90.3 | Very high | 89.2 | Confident | 122 Ų | 122 | 59.6 Ų | 59.6 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.2 | -45.5 | -174.2 | -64.5 | -171.3 | 165.7 | 0 | 0 | 113.6 | L212 G215 K219 A220 E221 | L212-E217 HydrophobicContact CD2-CB 4.35Å; L212-E217 HydrophobicContact CD2-CG 3.94Å; G215-E217 PolarHBondContact O-N 3.43Å; E217-K219 VanDerWaalsContact C-N 3.31Å; E217-K219 PolarHBondContact O-N 2.86Å; E217-A220 WeakPolarHBondContact O-CB 3.23Å; E217-A220 PolarHBondContact O-N 3.34Å; E217-A220 VanDerWaalsContact O-N 3.12Å; E217-E221 PolarHBondContact O-N 3.36Å |
| 218 | Q | 91.2 | Very high | 89.2 | Confident | 174 Ų | 174 | 59.4 Ų | 59.4 | 81% | 0.813 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.5 | -39 | 179.8 | -66.3 | -177.2 | -4.6 | 0 | 0 | 112.7 | Q216 K222 | Q216-Q218 PolarHBondContact O-N 2.69Å; Q218-K222 PolarHBondContact O-N 2.81Å |
| 219 | K | 91.4 | Very high | 89 | Confident | 123 Ų | 123 | 59.7 Ų | 59.7 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.8 | -38.3 | 176.7 | -69.4 | -178.8 | -175.9 | 172.3 | 0 | 111.1 | L211 Q216 E217 E221 K222 A223 | L211-K219 HydrophobicContact CD1-CB 4.2Å; L211-K219 HydrophobicContact CD2-CB 4.21Å; Q216-K219 HydrophobicContact CB-CB 4.27Å; Q216-K219 HydrophobicContact CB-CD 4.36Å; Q216-K219 PolarHBondContact O-N 3.25Å; E217-K219 VanDerWaalsContact C-N 3.31Å; E217-K219 PolarHBondContact O-N 2.86Å; K219-E221 VanDerWaalsContact C-N 3.31Å; K219-K222 PolarHBondContact O-N 3.29Å; K219-A223 WeakPolarHBondContact O-CB 3.28Å; K219-A223 PolarHBondContact O-N 3.46Å |
| 220 | A | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L211 L212 Q216 E217 A223 L224 L238 | L211-A220 HydrophobicContact CB-CB 3.7Å; L212-A220 HydrophobicContact CD2-CB 3.72Å; L212-A220 HydrophobicContact CG-CB 3.63Å; Q216-A220 PolarHBondContact O-N 3.43Å; E217-A220 WeakPolarHBondContact O-CB 3.23Å; E217-A220 PolarHBondContact O-N 3.34Å; E217-A220 VanDerWaalsContact O-N 3.12Å; A220-A223 PolarHBondContact O-N 2.92Å; A220-L224 WeakPolarHBondContact O-CB 3.29Å; A220-L224 PolarHBondContact O-N 3.36Å; A220-L238 HydrophobicContact CB-CD2 4.03Å |
| 221 | E | 91.6 | Very high | 88.5 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 175.3 | -176.7 | 172.4 | -146.2 | 0 | 0 | 111.9 | E217 K219 A223 L224 R225 T234 L238 | E217-E221 PolarHBondContact O-N 3.36Å; K219-E221 VanDerWaalsContact C-N 3.31Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 3.46Å; E221-L224 PolarHBondContact O-N 3.21Å; E221-L224 VanDerWaalsContact O-N 3.17Å; E221-R225 VanDerWaalsContact CD-CZ 3.4Å; E221-R225 HydrophobicContact CG-CG 4.44Å; E221-R225 WeakPolarHBondContact O-CG 3.43Å; E221-R225 PolarHBondContact O-N 3.44Å; E221-R225 IonicContact OE1-CZ 3.3Å; E221-R225 VanDerWaalsContact OE1-CZ 3.3Å; E221-R225 IonicContact OE1-NE 3.55Å; E221-R225 IonicContact OE1-NH2 2.62Å; E221-R225 PolarHBondContact OE1-NH2 3.27Å; E221-R225 IonicContact OE2-CZ 3.7Å; E221-R225 IonicContact OE2-NH2 3.16Å; E221-R225 PolarHBondContact OE2-NH2 2.95Å; E221-R225 VanDerWaalsContact OE2-NH2 3.16Å; E221-T234 PolarHBondContact OE1-OG1 2.87Å; E221-T234 VanDerWaalsContact OE1-OG1 3.13Å; E221-L238 HydrophobicContact CB-CD1 3.69Å; E221-L238 HydrophobicContact CG-CD1 3.85Å |
| 222 | K | 91.3 | Very high | 88.3 | Confident | 160 Ų | 160 | 66.2 Ų | 66.2 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.3 | -42.6 | 176.7 | -172.1 | 176.2 | -178.6 | 176.6 | 0 | 111.8 | Q218 K219 W226 | Q218-K222 PolarHBondContact O-N 2.81Å; K219-K222 PolarHBondContact O-N 3.29Å; K222-W226 WeakPolarHBondContact O-CB 3.31Å; K222-W226 PolarHBondContact O-N 3.49Å |
| 223 | A | 91.3 | Very high | 88 | Confident | 7 Ų | 7 | 70 Ų | 70 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P205 P208 L211 K219 A220 E221 W226 L227 | P205-A223 HydrophobicContact CB-CB 3.86Å; P208-A223 HydrophobicContact CG-CB 4.33Å; L211-A223 HydrophobicContact CD1-CB 3.86Å; K219-A223 WeakPolarHBondContact O-CB 3.28Å; K219-A223 PolarHBondContact O-N 3.46Å; A220-A223 PolarHBondContact O-N 2.92Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 3.46Å; A223-W226 WeakPolarHBondContact O-CB 3.47Å; A223-W226 PolarHBondContact O-N 3.32Å; A223-L227 WeakPolarHBondContact O-CG 3.49Å; A223-L227 PolarHBondContact O-N 3.17Å |
| 224 | L | 90.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69 | -41.9 | -179.7 | -164.8 | 66.5 | 0 | 0 | 0 | 112.2 | P208 A220 E221 W226 L227 R228 T234 E237 L238 | P208-L224 HydrophobicContact CB-CD1 4.42Å; P208-L224 HydrophobicContact CG-CB 4.4Å; P208-L224 HydrophobicContact CG-CD1 4.03Å; A220-L224 WeakPolarHBondContact O-CB 3.29Å; A220-L224 PolarHBondContact O-N 3.36Å; E221-L224 PolarHBondContact O-N 3.21Å; E221-L224 VanDerWaalsContact O-N 3.17Å; L224-W226 VanDerWaalsContact C-N 3.28Å; L224-W226 PolarHBondContact O-N 3.41Å; L224-L227 PolarHBondContact O-N 3.42Å; L224-L227 VanDerWaalsContact O-N 3.16Å; L224-R228 HydrophobicContact CD1-CG 4.13Å; L224-R228 HydrophobicContact CG-CG 4.17Å; L224-R228 WeakPolarHBondContact O-CB 3.49Å; L224-R228 VanDerWaalsContact O-CG 3.32Å; L224-R228 WeakPolarHBondContact O-CG 3.38Å; L224-R228 PolarHBondContact O-N 2.92Å; L224-T234 HydrophobicContact CB-CG2 3.9Å; L224-T234 HydrophobicContact CD2-CG2 3.81Å; L224-T234 HydrophobicContact CG-CG2 3.8Å; L224-E237 HydrophobicContact CD1-CG 4.44Å; L224-E237 HydrophobicContact CD2-CB 3.94Å; L224-E237 HydrophobicContact CD2-CG 3.95Å; L224-L238 HydrophobicContact CD2-CD2 4.14Å; L224-L238 HydrophobicContact CD2-CG 3.87Å |
| 225 | R | 90.8 | Very high | 88 | Confident | 110 Ų | 110 | 65.4 Ų | 65.4 | 42% | 0.415 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 172 | -72.7 | -172.1 | -163.9 | 145.3 | -3.3 | 111.6 | E221 G229 T234 | E221-R225 VanDerWaalsContact CD-CZ 3.4Å; E221-R225 HydrophobicContact CG-CG 4.44Å; E221-R225 WeakPolarHBondContact O-CG 3.43Å; E221-R225 PolarHBondContact O-N 3.44Å; E221-R225 IonicContact OE1-CZ 3.3Å; E221-R225 VanDerWaalsContact OE1-CZ 3.3Å; E221-R225 IonicContact OE1-NE 3.55Å; E221-R225 IonicContact OE1-NH2 2.62Å; E221-R225 PolarHBondContact OE1-NH2 3.27Å; E221-R225 IonicContact OE2-CZ 3.7Å; E221-R225 IonicContact OE2-NH2 3.16Å; E221-R225 PolarHBondContact OE2-NH2 2.95Å; E221-R225 VanDerWaalsContact OE2-NH2 3.16Å; R225-G229 CarbonylContact O-C 3.2Å; R225-G229 WeakPolarHBondContact O-CA 3.46Å; R225-G229 PolarHBondContact O-N 2.96Å; R225-T234 HydrophobicContact CB-CG2 4.32Å; R225-T234 HydrophobicContact CG-CG2 3.49Å; R225-T234 VanDerWaalsContact CG-CG2 3.49Å |
| 226 | W | 91.7 | Very high | 87.9 | Confident | 65 Ų | 65 | 67 Ų | 67 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.8 | -172.2 | 97.7 | 0 | 0 | 0 | 111.8 | R26 A30 M204 P205 K222 A223 L224 | R26-W226 HydrophobicContact CB-CD2 4.21Å; R26-W226 HydrophobicContact CB-CE3 3.9Å; R26-W226 HydrophobicContact CB-CH2 3.69Å; R26-W226 HydrophobicContact CB-CZ2 4.01Å; R26-W226 HydrophobicContact CB-CZ3 3.66Å; R26-W226 WeakPolarHBondContact CB-O 3.12Å; R26-W226 WeakPolarHBondContact CD-O 3.33Å; R26-W226 HydrophobicContact CG-CD2 4.49Å; R26-W226 HydrophobicContact CG-CH2 4.25Å; R26-W226 HydrophobicContact CG-CZ2 4.07Å; R26-W226 WeakPolarHBondContact O-CH2 3.01Å; R26-W226 VanDerWaalsContact O-CZ3 3.3Å; R26-W226 WeakPolarHBondContact O-CZ3 3.34Å; A30-W226 HydrophobicContact CB-CH2 4.5Å; A30-W226 HydrophobicContact CB-CZ3 4.17Å; M204-W226 HydrophobicContact CE-CH2 4.19Å; M204-W226 HydrophobicContact CE-CZ2 4.37Å; M204-W226 HydrophobicContact SD-CH2 3.42Å; M204-W226 WeakPolarHBondContact SD-CH2 3.29Å; M204-W226 HydrophobicContact SD-CZ2 4.14Å; M204-W226 HydrophobicContact SD-CZ3 4.21Å; P205-W226 VanDerWaalsContact CD-CE3 3.42Å; P205-W226 HydrophobicContact CG-CD2 4.04Å; P205-W226 HydrophobicContact CG-CE3 3.42Å; P205-W226 VanDerWaalsContact CG-CE3 3.42Å; P205-W226 HydrophobicContact CG-CZ3 3.82Å; K222-W226 WeakPolarHBondContact O-CB 3.31Å; K222-W226 PolarHBondContact O-N 3.49Å; A223-W226 WeakPolarHBondContact O-CB 3.47Å; A223-W226 PolarHBondContact O-N 3.32Å; L224-W226 VanDerWaalsContact C-N 3.28Å; L224-W226 PolarHBondContact O-N 3.41Å |
| 227 | L | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75 | -32 | -178.4 | -72.2 | 167.3 | 0 | 0 | 0 | 114.4 | L27 A30 I150 P205 P208 A223 L224 | L27-L227 HydrophobicContact CD1-CD2 4.18Å; A30-L227 HydrophobicContact CB-CD2 4.35Å; I150-L227 HydrophobicContact CB-CD1 3.83Å; I150-L227 HydrophobicContact CB-CD2 4.16Å; I150-L227 HydrophobicContact CG2-CD1 3.98Å; P205-L227 HydrophobicContact CG-CD1 4.38Å; P205-L227 HydrophobicContact CG-CD2 4.03Å; P205-L227 HydrophobicContact CG-CG 3.97Å; P208-L227 HydrophobicContact CG-CD1 3.89Å; A223-L227 WeakPolarHBondContact O-CG 3.49Å; A223-L227 PolarHBondContact O-N 3.17Å; L224-L227 PolarHBondContact O-N 3.42Å; L224-L227 VanDerWaalsContact O-N 3.16Å |
| 228 | R | 88.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -100.3 | -20.4 | -175.1 | -59.4 | -71 | 177 | -96.7 | -2 | 113.4 | I22 S23 I150 L224 Y232 E237 | I22-R228 CarbonylContact C-O 3.59Å; I22-R228 WeakPolarHBondContact CA-O 3.48Å; S23-R228 PolarHBondContact N-O 3.38Å; I150-R228 PolarHBondContact O-NH1 3.23Å; I150-R228 PolarHBondContact O-NH2 3.21Å; I150-R228 VanDerWaalsContact O-NH2 3.11Å; L224-R228 HydrophobicContact CD1-CG 4.13Å; L224-R228 HydrophobicContact CG-CG 4.17Å; L224-R228 WeakPolarHBondContact O-CB 3.49Å; L224-R228 VanDerWaalsContact O-CG 3.32Å; L224-R228 WeakPolarHBondContact O-CG 3.38Å; L224-R228 PolarHBondContact O-N 2.92Å; R228-Y232 HydrophobicContact CB-CD1 3.42Å; R228-Y232 VanDerWaalsContact CB-CD1 3.42Å; R228-Y232 HydrophobicContact CB-CE1 4.17Å; R228-Y232 HydrophobicContact CB-CG 3.65Å; R228-Y232 HydrophobicContact CG-CD1 3.61Å; R228-Y232 HydrophobicContact CG-CE1 3.86Å; R228-Y232 HydrophobicContact CG-CG 4.27Å; R228-E237 IonicContact CZ-OE1 3.99Å; R228-E237 IonicContact CZ-OE2 3.65Å; R228-E237 IonicContact NE-OE1 3.41Å; R228-E237 PolarHBondContact NE-OE1 3.26Å; R228-E237 IonicContact NE-OE2 2.93Å; R228-E237 PolarHBondContact NE-OE2 3.42Å; R228-E237 IonicContact NH2-OE1 3.26Å; R228-E237 PolarHBondContact NH2-OE1 3.1Å; R228-E237 IonicContact NH2-OE2 3.23Å |
| 229 | G | 85.9 | Confident | 87.3 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | trans | 106.4 | 155.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R225 K231 Y232 | R225-G229 CarbonylContact O-C 3.2Å; R225-G229 WeakPolarHBondContact O-CA 3.46Å; R225-G229 PolarHBondContact O-N 2.96Å; G229-K231 VanDerWaalsContact C-N 3.25Å; G229-K231 PolarHBondContact O-N 3.41Å; G229-Y232 PolarHBondContact O-N 3.22Å | ||
| 230 | A | 80.8 | Confident | 87 | Confident | 89 Ų | 89 | 54.7 Ų | 54.7 | 74% | 0.736 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 231 | K | 79.1 | Confident | 86.6 | Confident | 150 Ų | 150 | 56.1 Ų | 56.1 | 65% | 0.652 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -3 | -175.8 | -55.9 | -175.2 | -175.1 | -177.7 | 0 | 113.7 | E21 G229 | E21-K231 HydrophobicContact CB-CB 4.4Å; E21-K231 VanDerWaalsContact CD-CD 3.42Å; E21-K231 WeakPolarHBondContact OE1-CD 3.46Å; E21-K231 IonicContact OE1-NZ 2.77Å; E21-K231 PolarHBondContact OE1-NZ 3.42Å; E21-K231 WeakPolarHBondContact OE2-CB 3.26Å; E21-K231 WeakPolarHBondContact OE2-CD 3.3Å; E21-K231 IonicContact OE2-NZ 3.7Å; G229-K231 VanDerWaalsContact C-N 3.25Å; G229-K231 PolarHBondContact O-N 3.41Å |
| 232 | Y | 83.5 | Confident | 86.3 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -77.8 | 132 | -179.4 | -177.7 | -107.2 | 0 | 0 | 0 | 111.5 | I22 R228 G229 T234 E237 | I22-Y232 HydrophobicContact CD1-CD2 4.14Å; I22-Y232 HydrophobicContact CD1-CE2 3.82Å; I22-Y232 HydrophobicContact CG1-CD2 3.62Å; I22-Y232 HydrophobicContact CG1-CE2 3.84Å; I22-Y232 HydrophobicContact CG1-CG 4.45Å; R228-Y232 HydrophobicContact CB-CD1 3.42Å; R228-Y232 VanDerWaalsContact CB-CD1 3.42Å; R228-Y232 HydrophobicContact CB-CE1 4.17Å; R228-Y232 HydrophobicContact CB-CG 3.65Å; R228-Y232 HydrophobicContact CG-CD1 3.61Å; R228-Y232 HydrophobicContact CG-CE1 3.86Å; R228-Y232 HydrophobicContact CG-CG 4.27Å; G229-Y232 PolarHBondContact O-N 3.22Å; Y232-T234 HydrophobicContact CD1-CG2 4Å; Y232-T234 PolarHBondContact O-N 3.48Å; Y232-T234 VanDerWaalsContact O-N 3.08Å; Y232-E237 HydrophobicContact CE1-CB 4.49Å; Y232-E237 WeakPolarHBondContact CE1-OE2 3.18Å |
| 233 | N | 83 | Confident | 85.9 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 47% | 0.465 | 29% | 0.286 | S | S | . | . | trans | -75.3 | 99.1 | 174.4 | -172.6 | -3.1 | 0 | 0 | 0 | 110.5 | S235 | N233-S235 VanDerWaalsContact C-N 3.33Å; N233-S235 PolarHBondContact O-N 3.23Å; N233-S235 WeakPolarHBondContact OD1-CB 3.49Å; N233-S235 PolarHBondContact OD1-N 3.01Å; N233-S235 PolarHBondContact OD1-OG 2.95Å | ||
| 234 | T | 85.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.8 | -19.6 | -177.6 | 40.5 | 0 | 0 | 0 | 0 | 114.5 | E221 L224 R225 Y232 I236 E237 L238 | E221-T234 PolarHBondContact OE1-OG1 2.87Å; E221-T234 VanDerWaalsContact OE1-OG1 3.13Å; L224-T234 HydrophobicContact CB-CG2 3.9Å; L224-T234 HydrophobicContact CD2-CG2 3.81Å; L224-T234 HydrophobicContact CG-CG2 3.8Å; R225-T234 HydrophobicContact CB-CG2 4.32Å; R225-T234 HydrophobicContact CG-CG2 3.49Å; R225-T234 VanDerWaalsContact CG-CG2 3.49Å; Y232-T234 HydrophobicContact CD1-CG2 4Å; Y232-T234 PolarHBondContact O-N 3.48Å; Y232-T234 VanDerWaalsContact O-N 3.08Å; T234-I236 PolarHBondContact O-N 2.86Å; T234-E237 PolarHBondContact O-N 2.67Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 VanDerWaalsContact O-CG 3.29Å; T234-L238 WeakPolarHBondContact O-CG 3.45Å; T234-L238 PolarHBondContact O-N 3.01Å |
| 235 | S | 84 | Confident | 84.8 | Confident | 46 Ų | 46 | 58 Ų | 58 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59 | -43 | -172.7 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | N233 L238 N239 | N233-S235 VanDerWaalsContact C-N 3.33Å; N233-S235 PolarHBondContact O-N 3.23Å; N233-S235 WeakPolarHBondContact OD1-CB 3.49Å; N233-S235 PolarHBondContact OD1-N 3.01Å; N233-S235 PolarHBondContact OD1-OG 2.95Å; S235-L238 PolarHBondContact O-N 3.06Å; S235-N239 WeakPolarHBondContact O-CB 3.32Å; S235-N239 VanDerWaalsContact O-CG 3.23Å; S235-N239 PolarHBondContact O-N 3.3Å; S235-N239 PolarHBondContact O-ND2 3.31Å |
| 236 | I | 85.1 | Confident | 84.2 | Confident | 97 Ų | 97 | 58.4 Ų | 58.4 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | -178.2 | -57.7 | 172.1 | 0 | 0 | 0 | 110.9 | T234 A240 | T234-I236 PolarHBondContact O-N 2.86Å; I236-A240 WeakPolarHBondContact O-CB 3.24Å; I236-A240 PolarHBondContact O-N 2.81Å; I236-A240 VanDerWaalsContact O-N 3.08Å |
| 237 | E | 85.2 | Confident | 83.2 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.1 | -37.7 | -179.2 | -177 | 172.9 | -169.1 | 0 | 0 | 111.2 | L224 R228 Y232 T234 A240 I241 | L224-E237 HydrophobicContact CD1-CG 4.44Å; L224-E237 HydrophobicContact CD2-CB 3.94Å; L224-E237 HydrophobicContact CD2-CG 3.95Å; R228-E237 IonicContact CZ-OE1 3.99Å; R228-E237 IonicContact CZ-OE2 3.65Å; R228-E237 IonicContact NE-OE1 3.41Å; R228-E237 PolarHBondContact NE-OE1 3.26Å; R228-E237 IonicContact NE-OE2 2.93Å; R228-E237 PolarHBondContact NE-OE2 3.42Å; R228-E237 IonicContact NH2-OE1 3.26Å; R228-E237 PolarHBondContact NH2-OE1 3.1Å; R228-E237 IonicContact NH2-OE2 3.23Å; Y232-E237 HydrophobicContact CE1-CB 4.49Å; Y232-E237 WeakPolarHBondContact CE1-OE2 3.18Å; T234-E237 PolarHBondContact O-N 2.67Å; E237-A240 PolarHBondContact O-N 3.2Å; E237-I241 HydrophobicContact CG-CD1 4.09Å; E237-I241 VanDerWaalsContact O-CG1 3.25Å; E237-I241 WeakPolarHBondContact O-CG1 3.19Å; E237-I241 PolarHBondContact O-N 2.71Å |
| 238 | L | 86.6 | Confident | 82.1 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 173.2 | -75.2 | 167.1 | 0 | 0 | 0 | 111.8 | L212 A220 E221 L224 T234 S235 A240 I241 Q242 | L212-L238 HydrophobicContact CD1-CD2 3.91Å; L212-L238 HydrophobicContact CD2-CD2 4.21Å; L212-L238 HydrophobicContact CG-CD2 4.34Å; A220-L238 HydrophobicContact CB-CD2 4.03Å; E221-L238 HydrophobicContact CB-CD1 3.69Å; E221-L238 HydrophobicContact CG-CD1 3.85Å; L224-L238 HydrophobicContact CD2-CD2 4.14Å; L224-L238 HydrophobicContact CD2-CG 3.87Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 VanDerWaalsContact O-CG 3.29Å; T234-L238 WeakPolarHBondContact O-CG 3.45Å; T234-L238 PolarHBondContact O-N 3.01Å; S235-L238 PolarHBondContact O-N 3.06Å; L238-A240 VanDerWaalsContact C-N 3.31Å; L238-A240 PolarHBondContact O-N 3.47Å; L238-I241 PolarHBondContact O-N 3.08Å; L238-I241 VanDerWaalsContact O-N 3.15Å; L238-Q242 WeakPolarHBondContact O-CB 3.46Å; L238-Q242 PolarHBondContact O-N 3.49Å |
| 239 | N | 87.1 | Confident | 80.7 | Confident | 112 Ų | 112 | 68.9 Ų | 68.9 | 60% | 0.599 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.3 | -40 | 178.8 | -73.4 | -17.3 | 0 | 0 | 0 | 111.7 | S235 Q242 H243 | S235-N239 WeakPolarHBondContact O-CB 3.32Å; S235-N239 VanDerWaalsContact O-CG 3.23Å; S235-N239 PolarHBondContact O-N 3.3Å; S235-N239 PolarHBondContact O-ND2 3.31Å; N239-Q242 PolarHBondContact O-N 2.94Å; N239-H243 WeakPolarHBondContact O-CB 3.27Å; N239-H243 PolarHBondContact O-N 3.04Å |
| 240 | A | 84.5 | Confident | 79.4 | Confident | 64 Ų | 64 | 78.2 Ų | 78.2 | 53% | 0.529 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I236 E237 L238 S244 | I236-A240 WeakPolarHBondContact O-CB 3.24Å; I236-A240 PolarHBondContact O-N 2.81Å; I236-A240 VanDerWaalsContact O-N 3.08Å; E237-A240 PolarHBondContact O-N 3.2Å; L238-A240 VanDerWaalsContact C-N 3.31Å; L238-A240 PolarHBondContact O-N 3.47Å; A240-S244 WeakPolarHBondContact O-CB 3.3Å; A240-S244 PolarHBondContact O-N 3.43Å |
| 241 | I | 83.3 | Confident | 78.3 | Confident | 31 Ų | 31 | 76.1 Ų | 76.1 | 16% | 0.159 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.7 | -43.3 | 176.5 | -64.1 | 164.2 | 0 | 0 | 0 | 110.6 | R209 L212 E237 L238 S244 I245 | R209-I241 HydrophobicContact CB-CG2 4.05Å; R209-I241 HydrophobicContact CG-CG2 4.01Å; L212-I241 HydrophobicContact CD1-CB 3.79Å; L212-I241 HydrophobicContact CD1-CG2 3.55Å; E237-I241 HydrophobicContact CG-CD1 4.09Å; E237-I241 VanDerWaalsContact O-CG1 3.25Å; E237-I241 WeakPolarHBondContact O-CG1 3.19Å; E237-I241 PolarHBondContact O-N 2.71Å; L238-I241 PolarHBondContact O-N 3.08Å; L238-I241 VanDerWaalsContact O-N 3.15Å; I241-S244 WeakPolarHBondContact O-CB 3.15Å; I241-S244 PolarHBondContact O-N 3.07Å; I241-I245 HydrophobicContact CG2-CD1 3.97Å; I241-I245 WeakPolarHBondContact O-CG1 3.28Å; I241-I245 PolarHBondContact O-N 3.36Å |
| 242 | Q | 84.6 | Confident | 77.4 | Confident | 43 Ų | 43 | 73.7 Ų | 73.7 | 20% | 0.201 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 178.7 | -170.1 | 61.3 | 43.8 | 0 | 0 | 111.4 | L238 N239 S244 I245 N246 | L238-Q242 WeakPolarHBondContact O-CB 3.46Å; L238-Q242 PolarHBondContact O-N 3.49Å; N239-Q242 PolarHBondContact O-N 2.94Å; Q242-S244 VanDerWaalsContact C-N 3.33Å; Q242-S244 PolarHBondContact O-N 3.34Å; Q242-I245 PolarHBondContact O-N 2.92Å; Q242-I245 VanDerWaalsContact O-N 3.15Å; Q242-N246 PolarHBondContact NE2-OD1 3.34Å; Q242-N246 VanDerWaalsContact NE2-OD1 3.09Å; Q242-N246 PolarHBondContact O-N 3.23Å; Q242-N246 PolarHBondContact O-OD1 3.24Å |
| 243 | H | 83.3 | Confident | 76.3 | Confident | 130 Ų | 130 | 77.8 Ų | 77.8 | 60% | 0.602 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | 173.8 | -173.2 | 69.5 | 0 | 0 | 0 | 111.2 | N239 I245 N246 T247 | N239-H243 WeakPolarHBondContact O-CB 3.27Å; N239-H243 PolarHBondContact O-N 3.04Å; H243-I245 VanDerWaalsContact C-N 3.26Å; H243-I245 PolarHBondContact O-N 3.2Å; H243-N246 PolarHBondContact O-N 2.92Å; H243-T247 WeakPolarHBondContact O-CB 3.07Å; H243-T247 PolarHBondContact O-N 2.9Å; H243-T247 PolarHBondContact O-OG1 3.33Å |
| 244 | S | 78.6 | Confident | 75.4 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 38% | 0.378 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.6 | -30.6 | 175.8 | 177 | 0 | 0 | 0 | 0 | 113.7 | A240 I241 Q242 Q248 | A240-S244 WeakPolarHBondContact O-CB 3.3Å; A240-S244 PolarHBondContact O-N 3.43Å; I241-S244 WeakPolarHBondContact O-CB 3.15Å; I241-S244 PolarHBondContact O-N 3.07Å; Q242-S244 VanDerWaalsContact C-N 3.33Å; Q242-S244 PolarHBondContact O-N 3.34Å; S244-Q248 WeakPolarHBondContact O-CG 3.46Å |
| 245 | I | 79.2 | Confident | 74.4 | Confident | 34 Ų | 34 | 81.7 Ų | 81.7 | 17% | 0.174 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -75.4 | -43.5 | 176.3 | -68.1 | 166 | 0 | 0 | 0 | 110.1 | R209 L212 I241 Q242 H243 T247 Q248 | R209-I245 HydrophobicContact CG-CD1 4.16Å; R209-I245 HydrophobicContact CG-CG1 4.44Å; L212-I245 HydrophobicContact CB-CD1 3.78Å; I241-I245 HydrophobicContact CG2-CD1 3.97Å; I241-I245 WeakPolarHBondContact O-CG1 3.28Å; I241-I245 PolarHBondContact O-N 3.36Å; Q242-I245 PolarHBondContact O-N 2.92Å; Q242-I245 VanDerWaalsContact O-N 3.15Å; H243-I245 VanDerWaalsContact C-N 3.26Å; H243-I245 PolarHBondContact O-N 3.2Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 3.38Å; I245-Q248 WeakPolarHBondContact O-CB 3.25Å; I245-Q248 PolarHBondContact O-N 3.32Å |
| 246 | N | 78.4 | Confident | 73.8 | Confident | 118 Ų | 118 | 81.2 Ų | 81.2 | 63% | 0.631 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.1 | -33.7 | -178.1 | -67.6 | -3.9 | 0 | 0 | 0 | 112.5 | Q242 H243 Q248 | Q242-N246 PolarHBondContact NE2-OD1 3.34Å; Q242-N246 VanDerWaalsContact NE2-OD1 3.09Å; Q242-N246 PolarHBondContact O-N 3.23Å; Q242-N246 PolarHBondContact O-OD1 3.24Å; H243-N246 PolarHBondContact O-N 2.92Å; N246-Q248 VanDerWaalsContact C-N 3.31Å |
| 247 | T | 70.3 | Confident | 73.2 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -7.2 | 178.1 | -43.8 | 0 | 0 | 0 | 0 | 112.6 | H243 I245 V249 | H243-T247 WeakPolarHBondContact O-CB 3.07Å; H243-T247 PolarHBondContact O-N 2.9Å; H243-T247 PolarHBondContact O-OG1 3.33Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 3.38Å; T247-V249 PolarHBondContact O-N 2.95Å |
| 248 | Q | 67.1 | Low | 72.8 | Confident | 91 Ų | 91 | 81.1 Ų | 81.1 | 43% | 0.425 | 46% | 0.458 | S | S | . | . | trans | -73.5 | 98 | 176.2 | -95.8 | -173.2 | -33 | 0 | 0 | 111.1 | S244 I245 N246 K250 | S244-Q248 WeakPolarHBondContact O-CG 3.46Å; I245-Q248 WeakPolarHBondContact O-CB 3.25Å; I245-Q248 PolarHBondContact O-N 3.32Å; N246-Q248 VanDerWaalsContact C-N 3.31Å; Q248-K250 PolarHBondContact O-N 3.23Å | ||
| 249 | V | 59.7 | Low | 72.2 | Confident | 106 Ų | 106 | 83 Ų | 83 | 64% | 0.642 | 47% | 0.471 | S | S | * | . | trans | -65.8 | 123.7 | 171 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | T247 I251 V412 | T247-V249 PolarHBondContact O-N 2.95Å; V249-I251 HydrophobicContact CG1-CG1 4.35Å; V249-I251 PolarHBondContact O-N 3.44Å; V249-V412 WeakPolarHBondContact O-CG1 3.28Å | ||
| 250 | K | 58 | Low | 71.7 | Confident | 205 Ų | 205 | 80.1 Ų | 80.1 | 89% | 0.891 | 46% | 0.455 | S | S | * | . | trans | -76 | 112.4 | 168.1 | -72.1 | -177.1 | -178.7 | 178 | 0 | 108.5 | Q248 | Q248-K250 PolarHBondContact O-N 3.23Š| ||
| 251 | I | 57.5 | Low | 71.4 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 23% | 0.226 | 44% | 0.439 | C | S | . | . | trans | -91.3 | 137.9 | 176.5 | -77.6 | 176 | 0 | 0 | 0 | 110.1 | V249 Q255 L256 Y261 V412 | V249-I251 HydrophobicContact CG1-CG1 4.35Å; V249-I251 PolarHBondContact O-N 3.44Å; I251-Q255 VanDerWaalsContact CG1-OE1 3.31Å; I251-Q255 HydrophobicContact CG2-CB 3.58Å; I251-Q255 HydrophobicContact CG2-CG 4.23Å; I251-L256 HydrophobicContact CG2-CD1 4.11Å; I251-Y261 HydrophobicContact CD1-CE2 4.48Å; I251-V412 HydrophobicContact CB-CB 4.39Å; I251-V412 HydrophobicContact CB-CG1 3.49Å; I251-V412 VanDerWaalsContact CB-CG1 3.49Å; I251-V412 HydrophobicContact CD1-CB 3.84Å; I251-V412 HydrophobicContact CD1-CG1 3.68Å; I251-V412 HydrophobicContact CD1-CG2 3.87Å; I251-V412 HydrophobicContact CG1-CB 4.33Å; I251-V412 HydrophobicContact CG1-CG1 3.6Å | ||
| 252 | T | 59.6 | Low | 71.3 | Confident | 99 Ų | 99 | 82.9 Ų | 82.9 | 61% | 0.607 | 45% | 0.451 | S | S | * | . | trans | -73.9 | 145.4 | 173 | -48.1 | 0 | 0 | 0 | 0 | 110.7 | A254 Q255 | T252-A254 PolarHBondContact O-N 3.31Å; T252-Q255 PolarHBondContact O-N 3.34Å | ||
| 253 | L | 61.8 | Low | 71.3 | Confident | 126 Ų | 126 | 87.1 Ų | 87.1 | 66% | 0.66 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -48.5 | -28.8 | 178.4 | -76.7 | 162.4 | 0 | 0 | 0 | 114.2 | Q255 L256 V416 | L253-Q255 VanDerWaalsContact C-N 3.31Å; L253-Q255 PolarHBondContact O-N 3.1Å; L253-L256 HydrophobicContact CD2-CD2 4.48Å; L253-L256 WeakPolarHBondContact O-CB 3.49Å; L253-L256 PolarHBondContact O-N 3.46Å; L253-V416 HydrophobicContact CD2-CG1 4.44Å |
| 254 | A | 63 | Low | 71.3 | Confident | 78 Ų | 78 | 81.1 Ų | 81.1 | 65% | 0.645 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -62.7 | -31.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T252 L256 A257 | T252-A254 PolarHBondContact O-N 3.31Å; A254-L256 VanDerWaalsContact C-N 3.29Å; A254-L256 PolarHBondContact O-N 3.01Å; A254-A257 PolarHBondContact O-N 3.11Å |
| 255 | Q | 66.5 | Low | 71.7 | Confident | 94 Ų | 94 | 79.5 Ų | 79.5 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -79.1 | -13.4 | -179.2 | -54.9 | 172.1 | -50.9 | 0 | 0 | 111.9 | I251 T252 L253 A257 T258 Y261 | I251-Q255 VanDerWaalsContact CG1-OE1 3.31Å; I251-Q255 HydrophobicContact CG2-CB 3.58Å; I251-Q255 HydrophobicContact CG2-CG 4.23Å; T252-Q255 PolarHBondContact O-N 3.34Å; L253-Q255 VanDerWaalsContact C-N 3.31Å; L253-Q255 PolarHBondContact O-N 3.1Å; Q255-A257 PolarHBondContact O-N 3.12Å; Q255-T258 WeakPolarHBondContact O-CB 3.49Å; Q255-T258 PolarHBondContact O-N 3.29Å; Q255-T258 PolarHBondContact O-OG1 3.05Å; Q255-Y261 VanDerWaalsContact O-CD2 3.25Å; Q255-Y261 WeakPolarHBondContact O-CD2 3.13Å |
| 256 | L | 69.8 | Low | 72.1 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 18% | 0.183 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -65.4 | -18.7 | 172.6 | -89.2 | 72.5 | 0 | 0 | 0 | 112.5 | I251 L253 A254 T258 I265 A413 | I251-L256 HydrophobicContact CG2-CD1 4.11Å; L253-L256 HydrophobicContact CD2-CD2 4.48Å; L253-L256 WeakPolarHBondContact O-CB 3.49Å; L253-L256 PolarHBondContact O-N 3.46Å; A254-L256 VanDerWaalsContact C-N 3.29Å; A254-L256 PolarHBondContact O-N 3.01Å; L256-T258 PolarHBondContact O-N 2.8Å; L256-I265 HydrophobicContact CD2-CD1 4.21Å; L256-A413 HydrophobicContact CD1-CB 3.92Å; L256-A413 HydrophobicContact CD2-CB 3.85Å; L256-A413 HydrophobicContact CG-CB 3.84Å |
| 257 | A | 72.8 | Confident | 72.6 | Confident | 79 Ų | 79 | 79.4 Ų | 79.4 | 65% | 0.653 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -71 | -7.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A254 Q255 Y262 | A254-A257 PolarHBondContact O-N 3.11Å; Q255-A257 PolarHBondContact O-N 3.12Å; A257-Y262 WeakPolarHBondContact O-CD1 3.3Å |
| 258 | T | 76.8 | Confident | 73.4 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -72.3 | 139.7 | 179 | -43.8 | 0 | 0 | 0 | 0 | 111.1 | Q255 L256 I260 Y261 Y262 | Q255-T258 WeakPolarHBondContact O-CB 3.49Å; Q255-T258 PolarHBondContact O-N 3.29Å; Q255-T258 PolarHBondContact O-OG1 3.05Å; L256-T258 PolarHBondContact O-N 2.8Å; T258-I260 HydrophobicContact CG2-CB 4.47Å; T258-I260 HydrophobicContact CG2-CD1 4.29Å; T258-I260 HydrophobicContact CG2-CG1 4.44Å; T258-I260 PolarHBondContact O-N 3.48Å; T258-Y261 PolarHBondContact O-N 2.98Å; T258-Y262 WeakPolarHBondContact O-CD1 3.34Å; T258-Y262 PolarHBondContact O-N 3.5Å |
| 259 | P | 75.3 | Confident | 74.6 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.9 | -23 | 179.2 | 19.1 | -32.7 | 0 | 0 | 0 | 116.4 | Y261 Y262 R263 | P259-Y261 VanDerWaalsContact C-N 3.31Å; P259-Y262 VanDerWaalsContact CA-CD1 3.43Å; P259-Y262 HydrophobicContact CB-CD1 4.38Å; P259-Y262 HydrophobicContact CB-CE1 3.65Å; P259-R263 WeakPolarHBondContact O-CB 3.41Å; P259-R263 WeakPolarHBondContact O-CD 3.42Å; P259-R263 VanDerWaalsContact O-CG 3.31Å; P259-R263 WeakPolarHBondContact O-CG 3.37Å |
| 260 | I | 75.4 | Confident | 76.1 | Confident | 50 Ų | 50 | 68 Ų | 68 | 26% | 0.256 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.3 | -34.3 | 175.2 | -60.7 | 163.6 | 0 | 0 | 0 | 110.8 | T258 P264 R483 | T258-I260 HydrophobicContact CG2-CB 4.47Å; T258-I260 HydrophobicContact CG2-CD1 4.29Å; T258-I260 HydrophobicContact CG2-CG1 4.44Å; T258-I260 PolarHBondContact O-N 3.48Å; I260-P264 WeakPolarHBondContact O-CD 3.45Å; I260-P264 WeakPolarHBondContact O-CG 3.33Å; I260-R483 HydrophobicContact CD1-CG 4.04Å; I260-R483 HydrophobicContact CG1-CG 4.29Å; I260-R483 HydrophobicContact CG2-CB 4.23Å; I260-R483 HydrophobicContact CG2-CG 4.19Å |
| 261 | Y | 78.9 | Confident | 77.7 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -97.9 | -41.4 | -175.6 | -59.4 | -60.1 | 0 | 0 | 0 | 113.1 | I251 Q255 T258 P259 P264 I265 P410 | I251-Y261 HydrophobicContact CD1-CE2 4.48Å; Q255-Y261 VanDerWaalsContact O-CD2 3.25Å; Q255-Y261 WeakPolarHBondContact O-CD2 3.13Å; T258-Y261 PolarHBondContact O-N 2.98Å; P259-Y261 VanDerWaalsContact C-N 3.31Å; Y261-P264 WeakPolarHBondContact O-CD 3.42Å; Y261-I265 VanDerWaalsContact O-CD1 3.3Å; Y261-I265 WeakPolarHBondContact O-CD1 3.35Å; Y261-I265 WeakPolarHBondContact O-CG1 3.43Å; Y261-I265 PolarHBondContact O-N 3.43Å; Y261-P410 HydrophobicContact CD1-CB 3.7Å; Y261-P410 HydrophobicContact CD1-CG 3.87Å; Y261-P410 HydrophobicContact CE1-CB 4.1Å |
| 262 | Y | 81.3 | Confident | 79.2 | Confident | 106 Ų | 106 | 56.4 Ų | 56.4 | 42% | 0.416 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.8 | -30.1 | -176.7 | 81.4 | -109.2 | 0 | 0 | 0 | 113.3 | A257 T258 P259 I265 L266 | A257-Y262 WeakPolarHBondContact O-CD1 3.3Å; T258-Y262 WeakPolarHBondContact O-CD1 3.34Å; T258-Y262 PolarHBondContact O-N 3.5Å; P259-Y262 VanDerWaalsContact CA-CD1 3.43Å; P259-Y262 HydrophobicContact CB-CD1 4.38Å; P259-Y262 HydrophobicContact CB-CE1 3.65Å; Y262-I265 PolarHBondContact O-N 3.08Å; Y262-L266 VanDerWaalsContact O-CB 3.32Å; Y262-L266 WeakPolarHBondContact O-CB 3.44Å; Y262-L266 PolarHBondContact O-N 3.49Å |
| 263 | R | 84.4 | Confident | 80.9 | Confident | 132 Ų | 132 | 55.8 Ų | 55.8 | 50% | 0.498 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.5 | -51.3 | 179.4 | -74.8 | 177.2 | 178 | 179.5 | -2.4 | 112.4 | P259 I265 L266 I267 | P259-R263 WeakPolarHBondContact O-CB 3.41Å; P259-R263 WeakPolarHBondContact O-CD 3.42Å; P259-R263 VanDerWaalsContact O-CG 3.31Å; P259-R263 WeakPolarHBondContact O-CG 3.37Å; R263-I265 VanDerWaalsContact C-N 3.3Å; R263-I265 PolarHBondContact O-N 2.87Å; R263-L266 PolarHBondContact O-N 2.83Å; R263-I267 WeakPolarHBondContact O-CG1 3.15Å; R263-I267 PolarHBondContact O-N 2.85Å |
| 264 | P | 83.8 | Confident | 82.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -37.8 | 173.2 | -23.1 | 30.3 | 0 | 0 | 0 | 113.8 | I260 Y261 S268 V408 F482 | I260-P264 WeakPolarHBondContact O-CD 3.45Å; I260-P264 WeakPolarHBondContact O-CG 3.33Å; Y261-P264 WeakPolarHBondContact O-CD 3.42Å; P264-S268 WeakPolarHBondContact O-CB 3.31Å; P264-S268 PolarHBondContact O-N 3.34Å; P264-S268 PolarHBondContact O-OG 2.98Å; P264-V408 HydrophobicContact CB-CG1 3.73Å; P264-V408 WeakPolarHBondContact CB-O 3.34Å; P264-F482 HydrophobicContact CB-CD2 4.47Å; P264-F482 HydrophobicContact CG-CB 3.88Å; P264-F482 HydrophobicContact CG-CD1 4.02Å; P264-F482 HydrophobicContact CG-CD2 4Å; P264-F482 HydrophobicContact CG-CG 3.7Å |
| 265 | I | 85.8 | Confident | 83.8 | Confident | 20 Ų | 20 | 47.3 Ų | 47.3 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 177.6 | -65.5 | 170.2 | 0 | 0 | 0 | 109.9 | L256 Y261 Y262 R263 I267 S268 V269 L409 A413 A417 | L256-I265 HydrophobicContact CD2-CD1 4.21Å; Y261-I265 VanDerWaalsContact O-CD1 3.3Å; Y261-I265 WeakPolarHBondContact O-CD1 3.35Å; Y261-I265 WeakPolarHBondContact O-CG1 3.43Å; Y261-I265 PolarHBondContact O-N 3.43Å; Y262-I265 PolarHBondContact O-N 3.08Å; R263-I265 VanDerWaalsContact C-N 3.3Å; R263-I265 PolarHBondContact O-N 2.87Å; I265-I267 PolarHBondContact O-N 2.9Å; I265-S268 PolarHBondContact O-N 2.82Å; I265-S268 VanDerWaalsContact O-N 3.17Å; I265-V269 HydrophobicContact CG2-CG2 4.21Å; I265-V269 WeakPolarHBondContact O-CB 3.49Å; I265-V269 VanDerWaalsContact O-CG2 3.31Å; I265-V269 WeakPolarHBondContact O-CG2 3.32Å; I265-V269 PolarHBondContact O-N 3.49Å; I265-L409 HydrophobicContact CB-CD2 4.47Å; I265-L409 HydrophobicContact CG1-CD2 3.89Å; I265-A413 HydrophobicContact CD1-CB 4.43Å; I265-A417 HydrophobicContact CD1-CB 4.01Å; I265-A417 HydrophobicContact CG1-CB 3.81Å; I265-A417 HydrophobicContact CG2-CB 4.26Å |
| 266 | L | 88 | Confident | 85.1 | Confident | 116 Ų | 116 | 43.2 Ų | 43.2 | 61% | 0.607 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.7 | -41.3 | 179.1 | -175 | 64.4 | 0 | 0 | 0 | 111.8 | Y262 R263 S268 V269 G270 | Y262-L266 VanDerWaalsContact O-CB 3.32Å; Y262-L266 WeakPolarHBondContact O-CB 3.44Å; Y262-L266 PolarHBondContact O-N 3.49Å; R263-L266 PolarHBondContact O-N 2.83Å; L266-S268 VanDerWaalsContact C-N 3.34Å; L266-V269 PolarHBondContact O-N 3.21Å; L266-G270 PolarHBondContact O-N 3.47Å |
| 267 | I | 88.5 | Confident | 86.2 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 174.2 | -67.9 | 166.1 | 0 | 0 | 0 | 110.4 | R263 I265 M271 F462 F482 | R263-I267 WeakPolarHBondContact O-CG1 3.15Å; R263-I267 PolarHBondContact O-N 2.85Å; I265-I267 PolarHBondContact O-N 2.9Å; I267-M271 WeakPolarHBondContact O-CB 3.46Å; I267-M271 PolarHBondContact O-N 3.27Å; I267-F462 HydrophobicContact CG2-CZ 4.03Å; I267-F482 HydrophobicContact CD1-CE1 3.66Å; I267-F482 HydrophobicContact CD1-CZ 4.3Å |
| 268 | S | 88.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | P264 I265 L266 R272 | P264-S268 WeakPolarHBondContact O-CB 3.31Å; P264-S268 PolarHBondContact O-N 3.34Å; P264-S268 PolarHBondContact O-OG 2.98Å; I265-S268 PolarHBondContact O-N 2.82Å; I265-S268 VanDerWaalsContact O-N 3.17Å; L266-S268 VanDerWaalsContact C-N 3.34Å; S268-R272 WeakPolarHBondContact O-CB 3.47Å; S268-R272 WeakPolarHBondContact O-CG 3.48Å; S268-R272 PolarHBondContact O-N 3.21Å |
| 269 | V | 90.6 | Very high | 87.8 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 15% | 0.152 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | I265 L266 M271 R272 F273 L420 C421 V424 | I265-V269 HydrophobicContact CG2-CG2 4.21Å; I265-V269 WeakPolarHBondContact O-CB 3.49Å; I265-V269 VanDerWaalsContact O-CG2 3.31Å; I265-V269 WeakPolarHBondContact O-CG2 3.32Å; I265-V269 PolarHBondContact O-N 3.49Å; L266-V269 PolarHBondContact O-N 3.21Å; V269-M271 PolarHBondContact O-N 2.85Å; V269-R272 PolarHBondContact O-N 3.46Å; V269-F273 WeakPolarHBondContact O-CB 3.31Å; V269-F273 PolarHBondContact O-N 3.32Å; V269-L420 HydrophobicContact CG2-CD2 3.98Å; V269-L420 HydrophobicContact CG2-CG 4.07Å; V269-C421 VanDerWaalsContact CG2-SG 3.57Å; V269-V424 HydrophobicContact CG1-CB 4.34Å; V269-V424 HydrophobicContact CG1-CG1 4.12Å; V269-V424 HydrophobicContact CG1-CG2 4.07Å |
| 270 | G | 92 | Very high | 88.6 | Confident | 20 Ų | 20 | 34.3 Ų | 34.3 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L266 R272 F273 L274 | L266-G270 PolarHBondContact O-N 3.47Å; G270-R272 VanDerWaalsContact C-N 3.33Å; G270-R272 PolarHBondContact O-N 3.33Å; G270-F273 PolarHBondContact O-N 2.82Å; G270-L274 WeakPolarHBondContact O-CB 3.34Å; G270-L274 WeakPolarHBondContact O-CG 3.45Å; G270-L274 PolarHBondContact O-N 2.98Å |
| 271 | M | 91.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 174.7 | -176.9 | -179.3 | 63.1 | 0 | 0 | 111.9 | I267 V269 Q275 W397 T401 L404 M405 F462 I467 | I267-M271 WeakPolarHBondContact O-CB 3.46Å; I267-M271 PolarHBondContact O-N 3.27Å; V269-M271 PolarHBondContact O-N 2.85Å; M271-Q275 VanDerWaalsContact O-CB 3.31Å; M271-Q275 WeakPolarHBondContact O-CB 3.42Å; M271-Q275 PolarHBondContact O-N 3.4Å; M271-W397 HydrophobicContact CG-CZ3 4.32Å; M271-T401 HydrophobicContact CE-CG2 4.47Å; M271-T401 WeakPolarHBondContact CE-O 3.5Å; M271-T401 HydrophobicContact CG-CG2 3.77Å; M271-T401 HydrophobicContact SD-CG2 3.88Å; M271-L404 HydrophobicContact CE-CB 3.91Å; M271-L404 HydrophobicContact SD-CB 4.13Å; M271-L404 HydrophobicContact SD-CD1 3.98Å; M271-M405 HydrophobicContact CE-CB 4.26Å; M271-F462 HydrophobicContact CB-CE1 3.88Å; M271-F462 HydrophobicContact CB-CZ 4.25Å; M271-F462 HydrophobicContact CG-CE1 4.41Å; M271-I467 HydrophobicContact SD-CD1 4.28Å |
| 272 | R | 90.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.1 | -32.8 | 180 | -71.4 | -68.6 | -60.4 | -174.3 | -9.4 | 113.4 | S268 V269 G270 W402 M405 C421 S425 | S268-R272 WeakPolarHBondContact O-CB 3.47Å; S268-R272 WeakPolarHBondContact O-CG 3.48Å; S268-R272 PolarHBondContact O-N 3.21Å; V269-R272 PolarHBondContact O-N 3.46Å; G270-R272 VanDerWaalsContact C-N 3.33Å; G270-R272 PolarHBondContact O-N 3.33Å; R272-W402 VanDerWaalsContact NH1-CD2 3.27Å; R272-M405 HydrophobicContact CG-SD 4.22Å; R272-C421 HydrophobicContact CG-CB 4.09Å; R272-S425 PolarHBondContact NH2-OG 3.45Å |
| 273 | F | 93.9 | Very high | 90.6 | Very high | 87 Ų | 87 | 25.1 Ų | 25.1 | 38% | 0.382 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -65.2 | -53.8 | 170.5 | 174 | -98.6 | 0 | 0 | 0 | 110.8 | V269 G270 Q275 Q276 M277 V424 T428 | V269-F273 WeakPolarHBondContact O-CB 3.31Å; V269-F273 PolarHBondContact O-N 3.32Å; G270-F273 PolarHBondContact O-N 2.82Å; F273-Q275 VanDerWaalsContact C-N 3.31Å; F273-Q275 PolarHBondContact O-N 3.33Å; F273-Q276 PolarHBondContact O-N 3.33Å; F273-M277 HydrophobicContact CD1-CG 4.05Å; F273-M277 HydrophobicContact CD2-CG 4.36Å; F273-M277 HydrophobicContact CE1-CG 3.61Å; F273-M277 HydrophobicContact CE2-CG 3.95Å; F273-M277 HydrophobicContact CE2-SD 4.18Å; F273-M277 HydrophobicContact CG-CG 4.4Å; F273-M277 HydrophobicContact CZ-CG 3.55Å; F273-M277 HydrophobicContact CZ-SD 3.89Å; F273-M277 WeakPolarHBondContact O-CG 3.3Å; F273-M277 PolarHBondContact O-N 3.41Å; F273-V424 HydrophobicContact CB-CG1 4.09Å; F273-V424 HydrophobicContact CD2-CG1 4.31Å; F273-T428 HydrophobicContact CD2-CG2 3.9Å; F273-T428 VanDerWaalsContact CD2-OG1 3.3Å; F273-T428 WeakPolarHBondContact CD2-OG1 3.3Å; F273-T428 HydrophobicContact CE2-CG2 3.87Å |
| 274 | L | 93.3 | Very high | 90.9 | Very high | 24 Ų | 24 | 19 Ų | 19 | 13% | 0.126 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 178.9 | -74.5 | 175.1 | 0 | 0 | 0 | 111.8 | G270 Q276 M277 T278 W397 V455 F458 F462 | G270-L274 WeakPolarHBondContact O-CB 3.34Å; G270-L274 WeakPolarHBondContact O-CG 3.45Å; G270-L274 PolarHBondContact O-N 2.98Å; L274-Q276 PolarHBondContact O-N 2.88Å; L274-Q276 VanDerWaalsContact O-N 3.16Å; L274-M277 PolarHBondContact O-N 2.81Å; L274-T278 WeakPolarHBondContact O-CG2 3.26Å; L274-T278 PolarHBondContact O-N 2.84Å; L274-T278 VanDerWaalsContact O-N 3.1Å; L274-W397 HydrophobicContact CB-CH2 4.19Å; L274-W397 HydrophobicContact CB-CZ3 4.08Å; L274-V455 HydrophobicContact CD2-CG1 4.46Å; L274-F458 HydrophobicContact CD2-CB 4.46Å; L274-F462 HydrophobicContact CD1-CB 3.72Å; L274-F462 HydrophobicContact CD1-CD1 4.03Å; L274-F462 HydrophobicContact CD1-CD2 3.82Å; L274-F462 HydrophobicContact CD1-CE2 4.44Å; L274-F462 HydrophobicContact CD1-CG 3.58Å |
| 275 | Q | 92.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -51.7 | -40.3 | 175.9 | -177.4 | -175 | 19.9 | 0 | 0 | 112.4 | M271 F273 T278 Y393 W397 T401 | M271-Q275 VanDerWaalsContact O-CB 3.31Å; M271-Q275 WeakPolarHBondContact O-CB 3.42Å; M271-Q275 PolarHBondContact O-N 3.4Å; F273-Q275 VanDerWaalsContact C-N 3.31Å; F273-Q275 PolarHBondContact O-N 3.33Å; Q275-T278 PolarHBondContact O-OG1 3.27Å; Q275-Y393 HydrophobicContact CG-CE2 3.9Å; Q275-Y393 PolarHBondContact NE2-OH 3.47Å; Q275-W397 HydrophobicContact CB-CE3 3.96Å; Q275-W397 HydrophobicContact CB-CZ3 4.31Å; Q275-W397 HydrophobicContact CG-CE3 4.39Å; Q275-W397 PolarHBondContact NE2-O 3.02Å; Q275-T401 HydrophobicContact CG-CG2 4.48Å; Q275-T401 PolarHBondContact NE2-OG1 3Å; Q275-T401 PolarHBondContact OE1-OG1 2.86Å |
| 276 | Q | 94.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 18.3 Ų | 18.3 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -81.9 | -39.1 | -179.1 | -67.1 | -72.9 | 0.8 | 0 | 0 | 112 | F273 L274 T278 G279 T281 S425 T428 A429 L432 | F273-Q276 PolarHBondContact O-N 3.33Å; L274-Q276 PolarHBondContact O-N 2.88Å; L274-Q276 VanDerWaalsContact O-N 3.16Å; Q276-T278 PolarHBondContact O-N 2.81Å; Q276-T278 VanDerWaalsContact O-N 3.12Å; Q276-G279 PolarHBondContact O-N 3.16Å; Q276-T281 PolarHBondContact OE1-OG1 3.46Å; Q276-S425 VanDerWaalsContact CG-O 3.3Å; Q276-S425 WeakPolarHBondContact CG-O 3.28Å; Q276-S425 WeakPolarHBondContact CG-OG 3.47Å; Q276-S425 PolarHBondContact NE2-OG 3.26Å; Q276-T428 HydrophobicContact CB-CG2 3.87Å; Q276-A429 HydrophobicContact CG-CB 4.4Å; Q276-L432 WeakPolarHBondContact O-CD2 3.42Å |
| 277 | M | 93.1 | Very high | 91.5 | Very high | 39 Ų | 39 | 12.8 Ų | 12.8 | 19% | 0.192 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.9 | -20 | 175.7 | -71.7 | -62 | -60.8 | 0 | 0 | 113.6 | F273 L274 G279 T428 L432 V455 | F273-M277 HydrophobicContact CD1-CG 4.05Å; F273-M277 HydrophobicContact CD2-CG 4.36Å; F273-M277 HydrophobicContact CE1-CG 3.61Å; F273-M277 HydrophobicContact CE2-CG 3.95Å; F273-M277 HydrophobicContact CE2-SD 4.18Å; F273-M277 HydrophobicContact CG-CG 4.4Å; F273-M277 HydrophobicContact CZ-CG 3.55Å; F273-M277 HydrophobicContact CZ-SD 3.89Å; F273-M277 WeakPolarHBondContact O-CG 3.3Å; F273-M277 PolarHBondContact O-N 3.41Å; L274-M277 PolarHBondContact O-N 2.81Å; M277-G279 PolarHBondContact O-N 3.38Å; M277-G279 VanDerWaalsContact O-N 3.11Å; M277-T428 HydrophobicContact CG-CG2 3.87Å; M277-T428 HydrophobicContact SD-CG2 3.68Å; M277-L432 HydrophobicContact SD-CD1 4.44Å; M277-V455 HydrophobicContact CB-CG1 3.68Å; M277-V455 HydrophobicContact CB-CG2 4.14Å; M277-V455 HydrophobicContact CE-CG2 4.24Å |
| 278 | T | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.1 | 172 | 64 | 0 | 0 | 0 | 0 | 113.5 | L274 Q275 Q276 M338 F389 F452 V455 | L274-T278 WeakPolarHBondContact O-CG2 3.26Å; L274-T278 PolarHBondContact O-N 2.84Å; L274-T278 VanDerWaalsContact O-N 3.1Å; Q275-T278 PolarHBondContact O-OG1 3.27Å; Q276-T278 PolarHBondContact O-N 2.81Å; Q276-T278 VanDerWaalsContact O-N 3.12Å; T278-M338 VanDerWaalsContact CB-CE 3.46Å; T278-M338 HydrophobicContact CG2-CE 3.51Å; T278-F389 WeakPolarHBondContact O-CZ 3.06Å; T278-F452 WeakPolarHBondContact O-CB 3.49Å; T278-F452 WeakPolarHBondContact O-CG 3.47Å; T278-V455 HydrophobicContact CG2-CG1 4.47Å |
| 279 | G | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 91.5 | 4.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q276 M277 T281 P282 I283 F452 | Q276-G279 PolarHBondContact O-N 3.16Å; M277-G279 PolarHBondContact O-N 3.38Å; M277-G279 VanDerWaalsContact O-N 3.11Å; G279-T281 VanDerWaalsContact C-N 3.31Å; G279-T281 PolarHBondContact O-N 2.88Å; G279-P282 VanDerWaalsContact O-CD 3.24Å; G279-P282 WeakPolarHBondContact O-CD 3.47Å; G279-P282 VanDerWaalsContact O-CG 3.26Å; G279-P282 WeakPolarHBondContact O-CG 3.34Å; G279-I283 WeakPolarHBondContact O-CB 3.45Å; G279-I283 WeakPolarHBondContact O-CD1 3.44Å; G279-I283 VanDerWaalsContact O-CG1 3.22Å; G279-I283 WeakPolarHBondContact O-CG1 3.27Å; G279-I283 PolarHBondContact O-N 3.22Å; G279-F452 VanDerWaalsContact CA-CZ 3.44Å |
| 280 | I | 91.1 | Very high | 91 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.1 | -40.5 | -178 | -170.8 | 63 | 0 | 0 | 0 | 113.3 | I283 L284 F389 I390 Y393 | I280-I283 PolarHBondContact O-N 3.11Å; I280-L284 HydrophobicContact CD1-CD1 4.16Å; I280-L284 HydrophobicContact CD1-CG 4.14Å; I280-L284 HydrophobicContact CG1-CD1 3.89Å; I280-L284 HydrophobicContact CG1-CG 4.27Å; I280-L284 WeakPolarHBondContact O-CB 3.46Å; I280-L284 VanDerWaalsContact O-CG 3.24Å; I280-L284 WeakPolarHBondContact O-CG 3.44Å; I280-L284 PolarHBondContact O-N 3.3Å; I280-F389 HydrophobicContact CB-CE1 4.5Å; I280-F389 HydrophobicContact CD1-CD1 4.4Å; I280-F389 HydrophobicContact CD1-CE1 3.96Å; I280-I390 HydrophobicContact CD1-CG1 4.2Å; I280-Y393 HydrophobicContact CB-CD2 3.95Å; I280-Y393 HydrophobicContact CB-CE1 4.45Å; I280-Y393 HydrophobicContact CB-CE2 3.87Å; I280-Y393 HydrophobicContact CB-CG 4.26Å; I280-Y393 HydrophobicContact CD1-CD1 3.84Å; I280-Y393 HydrophobicContact CD1-CD2 4.37Å; I280-Y393 HydrophobicContact CD1-CE1 4.4Å; I280-Y393 HydrophobicContact CD1-CG 3.82Å; I280-Y393 HydrophobicContact CG1-CD1 3.65Å; I280-Y393 HydrophobicContact CG1-CD2 3.97Å; I280-Y393 HydrophobicContact CG1-CE1 3.71Å; I280-Y393 HydrophobicContact CG1-CE2 4.01Å; I280-Y393 HydrophobicContact CG1-CG 3.78Å; I280-Y393 HydrophobicContact CG2-CD2 4.18Å; I280-Y393 HydrophobicContact CG2-CE1 4.36Å; I280-Y393 HydrophobicContact CG2-CE2 3.57Å |
| 281 | T | 92.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 11.1 Ų | 11.1 | 4% | 0.037 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66 | -53.5 | -178.3 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | L45 Q276 G279 I283 L284 V285 A429 | L45-T281 HydrophobicContact CD1-CG2 4.32Å; Q276-T281 PolarHBondContact OE1-OG1 3.46Å; G279-T281 VanDerWaalsContact C-N 3.31Å; G279-T281 PolarHBondContact O-N 2.88Å; T281-I283 VanDerWaalsContact C-N 3.32Å; T281-I283 PolarHBondContact O-N 3.39Å; T281-L284 PolarHBondContact O-N 3.06Å; T281-V285 HydrophobicContact CG2-CG2 4.18Å; T281-V285 WeakPolarHBondContact O-CB 3.26Å; T281-V285 VanDerWaalsContact O-CG2 3.28Å; T281-V285 WeakPolarHBondContact O-CG2 3.35Å; T281-V285 PolarHBondContact O-N 3.35Å; T281-A429 HydrophobicContact CG2-CB 4.22Å |
| 282 | P | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 174.7 | 15.1 | -25.5 | 0 | 0 | 0 | 113 | G279 L284 V285 Y286 L432 F436 F452 | G279-P282 VanDerWaalsContact O-CD 3.24Å; G279-P282 WeakPolarHBondContact O-CD 3.47Å; G279-P282 VanDerWaalsContact O-CG 3.26Å; G279-P282 WeakPolarHBondContact O-CG 3.34Å; P282-L284 VanDerWaalsContact C-N 3.3Å; P282-L284 PolarHBondContact O-N 3.5Å; P282-V285 PolarHBondContact O-N 2.9Å; P282-Y286 HydrophobicContact CB-CD2 4.2Å; P282-Y286 HydrophobicContact CB-CE2 4.47Å; P282-Y286 WeakPolarHBondContact O-CB 3.47Å; P282-Y286 VanDerWaalsContact O-CD2 3.3Å; P282-Y286 WeakPolarHBondContact O-CD2 3.29Å; P282-Y286 PolarHBondContact O-N 2.89Å; P282-L432 HydrophobicContact CG-CD2 4.07Å; P282-L432 HydrophobicContact CG-CG 4.1Å; P282-F436 HydrophobicContact CB-CB 3.78Å; P282-F436 HydrophobicContact CB-CD1 4.11Å; P282-F436 HydrophobicContact CB-CD2 3.9Å; P282-F436 HydrophobicContact CB-CG 3.65Å; P282-F436 HydrophobicContact CG-CB 4.49Å; P282-F436 HydrophobicContact CG-CD2 4.42Å; P282-F452 HydrophobicContact CG-CZ 4.03Å |
| 283 | I | 91.9 | Very high | 89 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 176.9 | -70.8 | 167 | 0 | 0 | 0 | 111.1 | G279 I280 T281 L287 T386 F389 I390 F452 | G279-I283 WeakPolarHBondContact O-CB 3.45Å; G279-I283 WeakPolarHBondContact O-CD1 3.44Å; G279-I283 VanDerWaalsContact O-CG1 3.22Å; G279-I283 WeakPolarHBondContact O-CG1 3.27Å; G279-I283 PolarHBondContact O-N 3.22Å; I280-I283 PolarHBondContact O-N 3.11Å; T281-I283 VanDerWaalsContact C-N 3.32Å; T281-I283 PolarHBondContact O-N 3.39Å; I283-L287 HydrophobicContact CG2-CD1 4.41Å; I283-L287 VanDerWaalsContact O-CA 3.24Å; I283-L287 WeakPolarHBondContact O-CA 3.21Å; I283-L287 VanDerWaalsContact O-CB 3.31Å; I283-L287 WeakPolarHBondContact O-CB 3.25Å; I283-L287 PolarHBondContact O-N 2.81Å; I283-L287 VanDerWaalsContact O-N 3.13Å; I283-T386 HydrophobicContact CG2-CG2 4.14Å; I283-F389 HydrophobicContact CD1-CD1 3.83Å; I283-F389 HydrophobicContact CD1-CE1 3.45Å; I283-F389 VanDerWaalsContact CD1-CE1 3.45Å; I283-F389 HydrophobicContact CD1-CZ 3.91Å; I283-I390 HydrophobicContact CG2-CD1 4.11Å; I283-I390 HydrophobicContact CG2-CG1 4.39Å; I283-F452 HydrophobicContact CD1-CD2 4.08Å; I283-F452 HydrophobicContact CD1-CE2 4.03Å; I283-F452 HydrophobicContact CG1-CE2 4.16Å |
| 284 | L | 91 | Very high | 87.7 | Confident | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -73.1 | -36.4 | 178.1 | -70.4 | 175.4 | 0 | 0 | 0 | 113 | V46 Y175 I280 T281 P282 I390 | V46-L284 HydrophobicContact CG1-CB 3.89Å; Y175-L284 PolarHBondContact OH-O 3.43Å; Y175-L284 VanDerWaalsContact OH-O 3.09Å; I280-L284 HydrophobicContact CD1-CD1 4.16Å; I280-L284 HydrophobicContact CD1-CG 4.14Å; I280-L284 HydrophobicContact CG1-CD1 3.89Å; I280-L284 HydrophobicContact CG1-CG 4.27Å; I280-L284 WeakPolarHBondContact O-CB 3.46Å; I280-L284 VanDerWaalsContact O-CG 3.24Å; I280-L284 WeakPolarHBondContact O-CG 3.44Å; I280-L284 PolarHBondContact O-N 3.3Å; T281-L284 PolarHBondContact O-N 3.06Å; P282-L284 VanDerWaalsContact C-N 3.3Å; P282-L284 PolarHBondContact O-N 3.5Å; L284-I390 HydrophobicContact CD2-CD1 4.19Å |
| 285 | V | 92.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.9 | -38.9 | -179 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | P48 S49 T281 P282 T433 | P48-V285 HydrophobicContact CB-CG1 3.92Å; P48-V285 HydrophobicContact CG-CG1 4.02Å; S49-V285 WeakPolarHBondContact CA-O 3.43Å; S49-V285 PolarHBondContact N-O 2.84Å; T281-V285 HydrophobicContact CG2-CG2 4.18Å; T281-V285 WeakPolarHBondContact O-CB 3.26Å; T281-V285 VanDerWaalsContact O-CG2 3.28Å; T281-V285 WeakPolarHBondContact O-CG2 3.35Å; T281-V285 PolarHBondContact O-N 3.35Å; P282-V285 PolarHBondContact O-N 2.9Å; V285-T433 HydrophobicContact CB-CG2 4.25Å; V285-T433 HydrophobicContact CG1-CG2 4Å; V285-T433 HydrophobicContact CG2-CG2 4.36Å |
| 286 | Y | 90 | Very high | 84.6 | Confident | 7 Ų | 7 | 20.9 Ų | 20.9 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 22.8 | -177 | -58.3 | -69.2 | 0 | 0 | 0 | 112.9 | L52 P282 E288 P289 I290 T433 F436 T437 | L52-Y286 HydrophobicContact CD1-CD1 3.44Å; L52-Y286 VanDerWaalsContact CD1-CD1 3.44Å; L52-Y286 HydrophobicContact CD1-CE1 3.42Å; L52-Y286 VanDerWaalsContact CD1-CE1 3.42Å; P282-Y286 HydrophobicContact CB-CD2 4.2Å; P282-Y286 HydrophobicContact CB-CE2 4.47Å; P282-Y286 WeakPolarHBondContact O-CB 3.47Å; P282-Y286 VanDerWaalsContact O-CD2 3.3Å; P282-Y286 WeakPolarHBondContact O-CD2 3.29Å; P282-Y286 PolarHBondContact O-N 2.89Å; Y286-E288 PolarHBondContact O-N 3.31Å; Y286-P289 VanDerWaalsContact O-CD 3.26Å; Y286-P289 WeakPolarHBondContact O-CD 3.44Å; Y286-I290 WeakPolarHBondContact O-CB 3.48Å; Y286-I290 WeakPolarHBondContact O-CD1 3.27Å; Y286-I290 WeakPolarHBondContact O-CG1 3.44Å; Y286-I290 PolarHBondContact O-N 3.22Å; Y286-T433 HydrophobicContact CD2-CG2 4.48Å; Y286-T433 HydrophobicContact CE2-CG2 3.55Å; Y286-T433 WeakPolarHBondContact CE2-O 3.29Å; Y286-T433 PolarHBondContact OH-O 3.48Å; Y286-F436 AromaticContact CD2-CD1 3.4Å; Y286-F436 HydrophobicContact CD2-CD1 3.4Å; Y286-F436 AromaticContact CD2-CE1 3.83Å; Y286-F436 HydrophobicContact CD2-CE1 3.83Å; Y286-F436 HydrophobicContact CD2-CG 4.33Å; Y286-F436 HydrophobicContact CE2-CB 4.46Å; Y286-F436 AromaticContact CE2-CD1 3.83Å; Y286-F436 HydrophobicContact CE2-CD1 3.83Å; Y286-F436 HydrophobicContact CG-CD1 4.14Å; Y286-F436 HydrophobicContact CG-CE1 4.19Å; Y286-T437 HydrophobicContact CD1-CG2 4.15Å; Y286-T437 HydrophobicContact CD2-CG2 4.43Å; Y286-T437 HydrophobicContact CE1-CG2 3.48Å; Y286-T437 VanDerWaalsContact CE1-CG2 3.48Å; Y286-T437 HydrophobicContact CE2-CG2 3.79Å; Y286-T437 WeakPolarHBondContact OH-CG2 3.49Å |
| 287 | L | 88.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.6 | -52.5 | -172.6 | -170.7 | 64 | 0 | 0 | 0 | 112.8 | Y175 I283 I290 F291 A304 V307 T386 I390 | Y175-L287 HydrophobicContact CE2-CD2 3.91Å; I283-L287 HydrophobicContact CG2-CD1 4.41Å; I283-L287 VanDerWaalsContact O-CA 3.24Å; I283-L287 WeakPolarHBondContact O-CA 3.21Å; I283-L287 VanDerWaalsContact O-CB 3.31Å; I283-L287 WeakPolarHBondContact O-CB 3.25Å; I283-L287 PolarHBondContact O-N 2.81Å; I283-L287 VanDerWaalsContact O-N 3.13Å; L287-I290 PolarHBondContact O-N 3.02Å; L287-F291 HydrophobicContact CD1-CD2 4.31Å; L287-F291 HydrophobicContact CD1-CE2 3.53Å; L287-F291 HydrophobicContact CD1-CZ 3.69Å; L287-F291 HydrophobicContact CD2-CE2 4.34Å; L287-F291 HydrophobicContact CG-CD2 4.16Å; L287-F291 HydrophobicContact CG-CE2 3.66Å; L287-F291 HydrophobicContact CG-CZ 4.34Å; L287-F291 WeakPolarHBondContact O-CD2 3.47Å; L287-F291 PolarHBondContact O-N 3.4Å; L287-F291 VanDerWaalsContact O-N 3.1Å; L287-A304 HydrophobicContact CD2-CB 3.95Å; L287-A304 HydrophobicContact CG-CB 4.46Å; L287-V307 HydrophobicContact CD1-CG1 4.44Å; L287-V307 HydrophobicContact CD2-CB 3.9Å; L287-V307 HydrophobicContact CD2-CG1 3.64Å; L287-V307 HydrophobicContact CD2-CG2 4.3Å; L287-T386 HydrophobicContact CD1-CG2 3.99Å; L287-I390 HydrophobicContact CD1-CD1 4.23Å |
| 288 | E | 86.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 26.1 Ų | 26.1 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -48.1 | 175.9 | -79.3 | 173.2 | -117.4 | 0 | 0 | 113.3 | S49 P50 P53 Y286 I290 F291 A292 A304 | S49-E288 WeakPolarHBondContact OG-CB 3.46Å; S49-E288 WeakPolarHBondContact OG-CG 3.44Å; S49-E288 PolarHBondContact OG-N 3.39Å; S49-E288 VanDerWaalsContact OG-N 3.15Å; S49-E288 PolarHBondContact OG-OE1 3.48Å; P50-E288 VanDerWaalsContact CA-CD 3.48Å; P50-E288 WeakPolarHBondContact CA-OE1 3.42Å; P50-E288 WeakPolarHBondContact CA-OE2 3.49Å; P50-E288 VanDerWaalsContact CB-OE1 3.23Å; P50-E288 WeakPolarHBondContact CB-OE1 3.06Å; P50-E288 WeakPolarHBondContact CD-OE1 3.41Å; P50-E288 VanDerWaalsContact N-OE1 3.08Å; P53-E288 HydrophobicContact CG-CB 4.24Å; Y286-E288 PolarHBondContact O-N 3.31Å; E288-I290 VanDerWaalsContact C-N 3.28Å; E288-I290 PolarHBondContact O-N 3.16Å; E288-F291 PolarHBondContact O-N 2.91Å; E288-A292 WeakPolarHBondContact O-CB 3.39Å; E288-A292 PolarHBondContact O-N 2.94Å; E288-A304 HydrophobicContact CG-CB 3.77Å |
| 289 | P | 85.1 | Confident | 80.2 | Confident | 31 Ų | 31 | 30.6 Ų | 30.6 | 20% | 0.201 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.5 | -38.2 | 172.4 | -28.9 | 31.9 | 0 | 0 | 0 | 114.9 | L52 P53 Y286 K293 | L52-P289 HydrophobicContact CB-CG 4.23Å; P53-P289 HydrophobicContact CG-CG 4.15Å; Y286-P289 VanDerWaalsContact O-CD 3.26Å; Y286-P289 WeakPolarHBondContact O-CD 3.44Å; P289-K293 WeakPolarHBondContact O-CG 3.4Å; P289-K293 PolarHBondContact O-N 3.18Å; P289-K293 VanDerWaalsContact O-N 3.12Å |
| 290 | I | 84.4 | Confident | 79.1 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -49.4 | 177 | -71.4 | 164.4 | 0 | 0 | 0 | 109.7 | Y286 L287 E288 A292 K293 S294 F436 L445 Y449 | Y286-I290 WeakPolarHBondContact O-CB 3.48Å; Y286-I290 WeakPolarHBondContact O-CD1 3.27Å; Y286-I290 WeakPolarHBondContact O-CG1 3.44Å; Y286-I290 PolarHBondContact O-N 3.22Å; L287-I290 PolarHBondContact O-N 3.02Å; E288-I290 VanDerWaalsContact C-N 3.28Å; E288-I290 PolarHBondContact O-N 3.16Å; I290-A292 VanDerWaalsContact C-N 3.34Å; I290-A292 PolarHBondContact O-N 3.45Å; I290-K293 PolarHBondContact O-N 2.89Å; I290-K293 VanDerWaalsContact O-N 3.17Å; I290-S294 PolarHBondContact O-N 3.01Å; I290-S294 VanDerWaalsContact O-N 3.07Å; I290-S294 PolarHBondContact O-OG 2.97Å; I290-S294 VanDerWaalsContact O-OG 3.13Å; I290-F436 HydrophobicContact CD1-CE1 4.02Å; I290-F436 HydrophobicContact CD1-CZ 3.69Å; I290-F436 HydrophobicContact CG1-CE1 4.19Å; I290-F436 HydrophobicContact CG1-CZ 4.03Å; I290-L445 HydrophobicContact CG1-CD2 4.33Å; I290-Y449 VanDerWaalsContact CG2-OH 3.24Å; I290-Y449 WeakPolarHBondContact CG2-OH 3.28Å |
| 291 | F | 82.3 | Confident | 78.1 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.5 | -34.4 | 178.9 | -66.5 | -35.7 | 0 | 0 | 0 | 113.2 | L287 E288 K293 S294 P300 D303 V307 L383 T386 | L287-F291 HydrophobicContact CD1-CD2 4.31Å; L287-F291 HydrophobicContact CD1-CE2 3.53Å; L287-F291 HydrophobicContact CD1-CZ 3.69Å; L287-F291 HydrophobicContact CD2-CE2 4.34Å; L287-F291 HydrophobicContact CG-CD2 4.16Å; L287-F291 HydrophobicContact CG-CE2 3.66Å; L287-F291 HydrophobicContact CG-CZ 4.34Å; L287-F291 WeakPolarHBondContact O-CD2 3.47Å; L287-F291 PolarHBondContact O-N 3.4Å; L287-F291 VanDerWaalsContact O-N 3.1Å; E288-F291 PolarHBondContact O-N 2.91Å; F291-K293 VanDerWaalsContact C-N 3.3Å; F291-K293 PolarHBondContact O-N 3.28Å; F291-S294 PolarHBondContact O-N 3.42Å; F291-S294 VanDerWaalsContact O-N 3.17Å; F291-P300 HydrophobicContact CB-CB 4.13Å; F291-D303 HydrophobicContact CD2-CB 3.47Å; F291-D303 VanDerWaalsContact CD2-CB 3.47Å; F291-D303 HydrophobicContact CE2-CB 3.68Å; F291-D303 HydrophobicContact CG-CB 4.19Å; F291-V307 HydrophobicContact CE2-CG2 3.98Å; F291-V307 HydrophobicContact CZ-CG2 3.97Å; F291-L383 HydrophobicContact CE1-CD1 3.9Å; F291-L383 HydrophobicContact CE2-CD1 4.04Å; F291-L383 HydrophobicContact CZ-CD1 3.62Å; F291-T386 HydrophobicContact CE1-CG2 4.03Å; F291-T386 HydrophobicContact CZ-CG2 3.81Å |
| 292 | A | 78.2 | Confident | 77.5 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 49% | 0.488 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.8 | -37.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E288 I290 P300 | E288-A292 WeakPolarHBondContact O-CB 3.39Å; E288-A292 PolarHBondContact O-N 2.94Å; I290-A292 VanDerWaalsContact C-N 3.34Å; I290-A292 PolarHBondContact O-N 3.45Å; A292-P300 HydrophobicContact CB-CB 4.44Å; A292-P300 HydrophobicContact CB-CG 3.96Å |
| 293 | K | 72.5 | Confident | 76.9 | Confident | 122 Ų | 122 | 42.1 Ų | 42.1 | 53% | 0.53 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.6 | -21.8 | 175.5 | -73.5 | -171.7 | 177.5 | -170.2 | 0 | 113.3 | P289 I290 F291 V440 D441 L445 | P289-K293 WeakPolarHBondContact O-CG 3.4Å; P289-K293 PolarHBondContact O-N 3.18Å; P289-K293 VanDerWaalsContact O-N 3.12Å; I290-K293 PolarHBondContact O-N 2.89Å; I290-K293 VanDerWaalsContact O-N 3.17Å; F291-K293 VanDerWaalsContact C-N 3.3Å; F291-K293 PolarHBondContact O-N 3.28Å; K293-V440 HydrophobicContact CD-CG1 4.2Å; K293-V440 VanDerWaalsContact NZ-CG1 3.32Å; K293-D441 IonicContact NZ-OD1 3.5Å; K293-D441 PolarHBondContact NZ-OD1 3.05Å; K293-L445 HydrophobicContact CB-CD1 4.44Å |
| 294 | S | 66 | Low | 76.3 | Confident | 24 Ų | 24 | 42 Ų | 42 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 8.4 | -178 | -61.7 | 0 | 0 | 0 | 0 | 114.9 | I290 F291 V296 | I290-S294 PolarHBondContact O-N 3.01Å; I290-S294 VanDerWaalsContact O-N 3.07Å; I290-S294 PolarHBondContact O-OG 2.97Å; I290-S294 VanDerWaalsContact O-OG 3.13Å; F291-S294 PolarHBondContact O-N 3.42Å; F291-S294 VanDerWaalsContact O-N 3.17Å; S294-V296 PolarHBondContact O-N 2.96Å; S294-V296 VanDerWaalsContact O-N 3.11Å |
| 295 | S | 59.1 | Low | 76 | Confident | 98 Ų | 98 | 42.6 Ų | 42.6 | 69% | 0.685 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 42.3 | 175.4 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 296 | V | 62 | Low | 75.7 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 11% | 0.109 | 25% | 0.252 | C | S | . | . | trans | -71 | 143.8 | 176.9 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | S294 L298 L383 | S294-V296 PolarHBondContact O-N 2.96Å; S294-V296 VanDerWaalsContact O-N 3.11Å; V296-L298 PolarHBondContact O-N 3.05Å; V296-L383 HydrophobicContact CG1-CD2 4.44Å | ||
| 297 | S | 54.1 | Low | 75.5 | Confident | 85 Ų | 85 | 46 Ų | 46 | 59% | 0.594 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -66.2 | -13.5 | -178.9 | -57.6 | 0 | 0 | 0 | 0 | 115 | ||
| 298 | L | 63.3 | Low | 75.3 | Confident | 72 Ų | 72 | 46 Ų | 46 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -92.6 | 143.8 | 175 | -73.8 | 164.1 | 0 | 0 | 0 | 110 | V296 D303 F380 L383 | V296-L298 PolarHBondContact O-N 3.05Å; L298-D303 WeakPolarHBondContact CB-OD1 3.35Å; L298-D303 WeakPolarHBondContact CD1-OD1 3.26Å; L298-F380 HydrophobicContact CD1-CE1 4.43Å; L298-L383 HydrophobicContact CD1-CD2 4.45Å |
| 299 | E | 69.9 | Low | 75.4 | Confident | 95 Ų | 95 | 47.9 Ų | 47.9 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | trans | -60.2 | 126.2 | 173.7 | -168.9 | -176.1 | 168.2 | 0 | 0 | 108.6 | R301 Y302 | E299-R301 PolarHBondContact O-N 2.76Å; E299-R301 IonicContact OE1-CZ 2.76Å; E299-R301 IonicContact OE1-NE 3.91Å; E299-R301 IonicContact OE1-NH1 2.89Å; E299-Y302 HydrophobicContact CB-CD2 3.89Å; E299-Y302 HydrophobicContact CB-CE2 4.07Å; E299-Y302 PolarHBondContact O-N 3.28Å | ||
| 300 | P | 67.5 | Low | 75.6 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.4 | -23.2 | -169 | -32 | 35.3 | 0 | 0 | 0 | 115.7 | F291 A292 D303 A304 | F291-P300 HydrophobicContact CB-CB 4.13Å; A292-P300 HydrophobicContact CB-CB 4.44Å; A292-P300 HydrophobicContact CB-CG 3.96Å; P300-D303 PolarHBondContact O-N 3.23Å; P300-A304 PolarHBondContact O-N 3.26Å |
| 301 | R | 69.2 | Low | 75.9 | Confident | 92 Ų | 92 | 48.9 Ų | 48.9 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 176.8 | -65.1 | -177.9 | 178.6 | 165.6 | 5.1 | 112.3 | L179 E299 | L179-R301 VanDerWaalsContact CD2-C 3.5Å; L179-R301 HydrophobicContact CD2-CB 3.65Å; L179-R301 VanDerWaalsContact CD2-O 3.25Å; L179-R301 WeakPolarHBondContact CD2-O 3.44Å; E299-R301 PolarHBondContact O-N 2.76Å; E299-R301 IonicContact OE1-CZ 2.76Å; E299-R301 IonicContact OE1-NE 3.91Å; E299-R301 IonicContact OE1-NH1 2.89Å |
| 302 | Y | 81.1 | Confident | 76.2 | Confident | 123 Ų | 123 | 50.8 Ų | 50.8 | 48% | 0.482 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.9 | -35.5 | -179.6 | -63.7 | -74 | 0 | 0 | 0 | 111.8 | L179 E299 A304 A305 I306 | L179-Y302 HydrophobicContact CD1-CD1 4.28Å; L179-Y302 HydrophobicContact CD1-CE1 4.44Å; L179-Y302 HydrophobicContact CD2-CD1 4.38Å; E299-Y302 HydrophobicContact CB-CD2 3.89Å; E299-Y302 HydrophobicContact CB-CE2 4.07Å; E299-Y302 PolarHBondContact O-N 3.28Å; Y302-A304 VanDerWaalsContact C-N 3.33Å; Y302-A304 PolarHBondContact O-N 3Å; Y302-A305 PolarHBondContact O-N 3.46Å; Y302-I306 WeakPolarHBondContact O-CG1 3.46Å; Y302-I306 PolarHBondContact O-N 2.7Å |
| 303 | D | 79.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 179 | -68 | -20.1 | 0 | 0 | 0 | 111.9 | F291 L298 P300 A305 I306 V307 L383 | F291-D303 HydrophobicContact CD2-CB 3.47Å; F291-D303 VanDerWaalsContact CD2-CB 3.47Å; F291-D303 HydrophobicContact CE2-CB 3.68Å; F291-D303 HydrophobicContact CG-CB 4.19Å; L298-D303 WeakPolarHBondContact CB-OD1 3.35Å; L298-D303 WeakPolarHBondContact CD1-OD1 3.26Å; P300-D303 PolarHBondContact O-N 3.23Å; D303-A305 PolarHBondContact O-N 3.18Å; D303-I306 PolarHBondContact O-N 2.97Å; D303-V307 WeakPolarHBondContact O-CB 3.44Å; D303-V307 VanDerWaalsContact O-CG2 3.28Å; D303-V307 WeakPolarHBondContact O-CG2 3.32Å; D303-V307 PolarHBondContact O-N 2.85Å; D303-L383 HydrophobicContact CB-CD1 3.8Å |
| 304 | A | 80.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y175 L287 E288 P300 Y302 V307 G308 | Y175-A304 HydrophobicContact CD1-CB 4.11Å; Y175-A304 HydrophobicContact CD2-CB 4.44Å; Y175-A304 WeakPolarHBondContact CD2-O 3.22Å; Y175-A304 HydrophobicContact CE1-CB 4.42Å; Y175-A304 HydrophobicContact CG-CB 4.14Å; L287-A304 HydrophobicContact CD2-CB 3.95Å; L287-A304 HydrophobicContact CG-CB 4.46Å; E288-A304 HydrophobicContact CG-CB 3.77Å; P300-A304 PolarHBondContact O-N 3.26Å; Y302-A304 VanDerWaalsContact C-N 3.33Å; Y302-A304 PolarHBondContact O-N 3Å; A304-V307 PolarHBondContact O-N 3.03Å; A304-G308 PolarHBondContact O-N 2.95Å |
| 305 | A | 84.9 | Confident | 78.5 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L179 Y302 D303 G308 A309 | L179-A305 HydrophobicContact CD1-CB 4.23Å; Y302-A305 PolarHBondContact O-N 3.46Å; D303-A305 PolarHBondContact O-N 3.18Å; A305-G308 PolarHBondContact O-N 3.45Å; A305-A309 PolarHBondContact O-N 3.17Å |
| 306 | I | 85.9 | Confident | 79.8 | Confident | 78 Ų | 78 | 44.3 Ų | 44.3 | 40% | 0.4 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 175.4 | -66.9 | 166.1 | 0 | 0 | 0 | 110.4 | Y302 D303 G308 A309 V310 | Y302-I306 WeakPolarHBondContact O-CG1 3.46Å; Y302-I306 PolarHBondContact O-N 2.7Å; D303-I306 PolarHBondContact O-N 2.97Å; I306-G308 VanDerWaalsContact C-N 3.29Å; I306-G308 PolarHBondContact O-N 2.88Å; I306-A309 PolarHBondContact O-N 2.95Å; I306-A309 VanDerWaalsContact O-N 3.1Å; I306-V310 HydrophobicContact CG2-CG2 4.49Å; I306-V310 WeakPolarHBondContact O-CG2 3.35Å; I306-V310 PolarHBondContact O-N 3.23Å |
| 307 | V | 84.2 | Confident | 80.9 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.5 | -43.1 | 175.4 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | L287 F291 D303 A304 A309 V310 R311 V387 I390 | L287-V307 HydrophobicContact CD1-CG1 4.44Å; L287-V307 HydrophobicContact CD2-CB 3.9Å; L287-V307 HydrophobicContact CD2-CG1 3.64Å; L287-V307 HydrophobicContact CD2-CG2 4.3Å; F291-V307 HydrophobicContact CE2-CG2 3.98Å; F291-V307 HydrophobicContact CZ-CG2 3.97Å; D303-V307 WeakPolarHBondContact O-CB 3.44Å; D303-V307 VanDerWaalsContact O-CG2 3.28Å; D303-V307 WeakPolarHBondContact O-CG2 3.32Å; D303-V307 PolarHBondContact O-N 2.85Å; A304-V307 PolarHBondContact O-N 3.03Å; V307-A309 VanDerWaalsContact C-N 3.33Å; V307-A309 PolarHBondContact O-N 2.79Å; V307-V310 PolarHBondContact O-N 3.29Å; V307-R311 VanDerWaalsContact O-CB 3.28Å; V307-R311 WeakPolarHBondContact O-CB 3.02Å; V307-R311 PolarHBondContact O-N 3.48Å; V307-V387 HydrophobicContact CG2-CG2 3.7Å; V307-I390 HydrophobicContact CG1-CD1 3.22Å; V307-I390 HydrophobicContact CG1-CG1 4.43Å; V307-I390 HydrophobicContact CG1-CG2 4.23Å |
| 308 | G | 85.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A304 A305 I306 R311 L312 | A304-G308 PolarHBondContact O-N 2.95Å; A305-G308 PolarHBondContact O-N 3.45Å; I306-G308 VanDerWaalsContact C-N 3.29Å; I306-G308 PolarHBondContact O-N 2.88Å; G308-R311 PolarHBondContact O-N 3.2Å; G308-L312 PolarHBondContact O-N 2.68Å |
| 309 | A | 89.4 | Confident | 83.2 | Confident | 49 Ų | 49 | 39.4 Ų | 39.4 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.2 | -44.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L172 A305 I306 V307 R311 L312 L313 | L172-A309 HydrophobicContact CD1-CB 4.29Å; A305-A309 PolarHBondContact O-N 3.17Å; I306-A309 PolarHBondContact O-N 2.95Å; I306-A309 VanDerWaalsContact O-N 3.1Å; V307-A309 VanDerWaalsContact C-N 3.33Å; V307-A309 PolarHBondContact O-N 2.79Å; A309-R311 VanDerWaalsContact C-N 3.29Å; A309-R311 PolarHBondContact O-N 2.81Å; A309-L312 PolarHBondContact O-N 3.16Å; A309-L313 PolarHBondContact O-N 3.06Å |
| 310 | V | 88.8 | Confident | 83.8 | Confident | 42 Ų | 42 | 38 Ų | 38 | 26% | 0.255 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -40 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | I306 V307 L312 L313 S314 V387 F391 | I306-V310 HydrophobicContact CG2-CG2 4.49Å; I306-V310 WeakPolarHBondContact O-CG2 3.35Å; I306-V310 PolarHBondContact O-N 3.23Å; V307-V310 PolarHBondContact O-N 3.29Å; V310-L312 VanDerWaalsContact C-N 3.34Å; V310-L312 PolarHBondContact O-N 3.44Å; V310-L313 PolarHBondContact O-N 3.32Å; V310-S314 WeakPolarHBondContact O-CB 3.17Å; V310-S314 PolarHBondContact O-N 3.18Å; V310-V387 HydrophobicContact CB-CG1 4.06Å; V310-V387 HydrophobicContact CG1-CG1 3.68Å; V310-V387 HydrophobicContact CG2-CG1 3.95Å; V310-F391 HydrophobicContact CG1-CB 4.23Å; V310-F391 HydrophobicContact CG1-CD2 4.05Å |
| 311 | R | 89.3 | Confident | 84.6 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.9 | -169.4 | -176.6 | 172.3 | -158.8 | -2.8 | 111.7 | V168 T171 V307 G308 A309 S314 V315 I390 A394 | V168-R311 HydrophobicContact CG1-CB 3.98Å; V168-R311 HydrophobicContact CG1-CG 3.66Å; V168-R311 HydrophobicContact CG2-CG 4.28Å; T171-R311 PolarHBondContact OG1-NH1 3.24Å; V307-R311 VanDerWaalsContact O-CB 3.28Å; V307-R311 WeakPolarHBondContact O-CB 3.02Å; V307-R311 PolarHBondContact O-N 3.48Å; G308-R311 PolarHBondContact O-N 3.2Å; A309-R311 VanDerWaalsContact C-N 3.29Å; A309-R311 PolarHBondContact O-N 2.81Å; R311-S314 PolarHBondContact O-N 3.05Å; R311-V315 WeakPolarHBondContact O-CG2 3.3Å; R311-V315 PolarHBondContact O-N 2.8Å; R311-V315 VanDerWaalsContact O-N 3.08Å; R311-I390 HydrophobicContact CB-CG2 3.83Å; R311-I390 HydrophobicContact CG-CG2 3.78Å; R311-A394 HydrophobicContact CG-CB 4.05Å |
| 312 | L | 90.2 | Very high | 85 | Confident | 42 Ų | 42 | 35.3 Ų | 35.3 | 22% | 0.22 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 177.9 | -175.1 | 63.7 | 0 | 0 | 0 | 111.5 | I165 V168 F169 L172 G308 A309 V310 S314 V315 A316 | I165-L312 HydrophobicContact CG2-CD1 4.19Å; V168-L312 HydrophobicContact CB-CD1 4.34Å; V168-L312 HydrophobicContact CG1-CB 3.96Å; V168-L312 HydrophobicContact CG1-CD1 4.12Å; F169-L312 HydrophobicContact CB-CD1 4.24Å; F169-L312 HydrophobicContact CD2-CD2 4.01Å; L172-L312 HydrophobicContact CD2-CD2 3.81Å; G308-L312 PolarHBondContact O-N 2.68Å; A309-L312 PolarHBondContact O-N 3.16Å; V310-L312 VanDerWaalsContact C-N 3.34Å; V310-L312 PolarHBondContact O-N 3.44Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 2.84Å; L312-V315 PolarHBondContact O-N 3.29Å; L312-A316 PolarHBondContact O-N 2.91Å; L312-A316 VanDerWaalsContact O-N 3.14Å |
| 313 | L | 90.4 | Very high | 84.6 | Confident | 112 Ų | 112 | 34.3 Ų | 34.3 | 59% | 0.586 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.2 | -43.7 | 175 | -177.8 | 63.7 | 0 | 0 | 0 | 111.2 | A309 V310 V315 A316 V317 | A309-L313 PolarHBondContact O-N 3.06Å; V310-L313 PolarHBondContact O-N 3.32Å; L313-V315 PolarHBondContact O-N 3.5Å; L313-A316 WeakPolarHBondContact O-CB 3.16Å; L313-A316 PolarHBondContact O-N 2.63Å; L313-V317 WeakPolarHBondContact O-CG2 3.13Å; L313-V317 PolarHBondContact O-N 3.3Å |
| 314 | S | 87.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 178.4 | -177 | 0 | 0 | 0 | 0 | 112.3 | V310 R311 L312 A316 V317 A318 F391 A394 M395 | V310-S314 WeakPolarHBondContact O-CB 3.17Å; V310-S314 PolarHBondContact O-N 3.18Å; R311-S314 PolarHBondContact O-N 3.05Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 2.84Å; S314-A316 VanDerWaalsContact C-N 3.33Å; S314-A316 PolarHBondContact O-N 2.95Å; S314-V317 PolarHBondContact O-N 3.43Å; S314-A318 WeakPolarHBondContact O-CB 3.24Å; S314-A318 PolarHBondContact O-N 2.97Å; S314-F391 VanDerWaalsContact CB-CD2 3.49Å; S314-F391 PolarHBondContact OG-O 3.03Å; S314-A394 WeakPolarHBondContact OG-CB 3.47Å; S314-M395 PolarHBondContact OG-N 2.98Å |
| 315 | V | 86.5 | Confident | 84.6 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | Q164 I165 V168 R311 L312 L313 A318 A319 A394 | Q164-V315 HydrophobicContact CG-CG1 4.05Å; I165-V315 HydrophobicContact CG1-CG1 3.63Å; V168-V315 HydrophobicContact CG2-CG2 3.82Å; R311-V315 WeakPolarHBondContact O-CG2 3.3Å; R311-V315 PolarHBondContact O-N 2.8Å; R311-V315 VanDerWaalsContact O-N 3.08Å; L312-V315 PolarHBondContact O-N 3.29Å; L313-V315 PolarHBondContact O-N 3.5Å; V315-A318 WeakPolarHBondContact O-CB 3.37Å; V315-A318 PolarHBondContact O-N 3.44Å; V315-A319 WeakPolarHBondContact O-CB 3.22Å; V315-A319 PolarHBondContact O-N 2.92Å; V315-A394 HydrophobicContact CG2-CB 3.88Å |
| 316 | A | 85.6 | Confident | 84.3 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 41% | 0.413 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L312 L313 S314 A319 S320 | L312-A316 PolarHBondContact O-N 2.91Å; L312-A316 VanDerWaalsContact O-N 3.14Å; L313-A316 WeakPolarHBondContact O-CB 3.16Å; L313-A316 PolarHBondContact O-N 2.63Å; S314-A316 VanDerWaalsContact C-N 3.33Å; S314-A316 PolarHBondContact O-N 2.95Å; A316-A319 PolarHBondContact O-N 3.05Å; A316-S320 PolarHBondContact O-N 2.87Å |
| 317 | V | 86.4 | Confident | 84.1 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 173.4 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | L313 S314 A319 S320 L321 M395 | L313-V317 WeakPolarHBondContact O-CG2 3.13Å; L313-V317 PolarHBondContact O-N 3.3Å; S314-V317 PolarHBondContact O-N 3.43Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.42Å; V317-S320 PolarHBondContact O-N 3.37Å; V317-S320 VanDerWaalsContact O-N 3.09Å; V317-S320 PolarHBondContact O-OG 3.4Å; V317-L321 HydrophobicContact CG1-CD1 3.85Å; V317-L321 HydrophobicContact CG1-CD2 4.33Å; V317-L321 WeakPolarHBondContact O-CD1 3.31Å; V317-L321 PolarHBondContact O-N 3.18Å; V317-M395 HydrophobicContact CG1-CE 4.29Å |
| 318 | A | 84.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.8 | -49.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S314 V315 S320 L321 M322 M395 P399 | S314-A318 WeakPolarHBondContact O-CB 3.24Å; S314-A318 PolarHBondContact O-N 2.97Å; V315-A318 WeakPolarHBondContact O-CB 3.37Å; V315-A318 PolarHBondContact O-N 3.44Å; A318-S320 VanDerWaalsContact C-N 3.28Å; A318-S320 PolarHBondContact O-N 2.9Å; A318-L321 PolarHBondContact O-N 3.41Å; A318-M322 VanDerWaalsContact O-CB 3.31Å; A318-M322 WeakPolarHBondContact O-CB 3.32Å; A318-M322 PolarHBondContact O-N 2.86Å; A318-M395 VanDerWaalsContact CB-O 3.31Å; A318-M395 WeakPolarHBondContact CB-O 3.36Å; A318-P399 HydrophobicContact CB-CG 4.13Å |
| 319 | A | 81.1 | Confident | 84.2 | Confident | 28 Ų | 28 | 45.9 Ų | 45.9 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V315 A316 V317 | V315-A319 WeakPolarHBondContact O-CB 3.22Å; V315-A319 PolarHBondContact O-N 2.92Å; A316-A319 PolarHBondContact O-N 3.05Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.42Å |
| 320 | S | 82.3 | Confident | 84.1 | Confident | 66 Ų | 66 | 43.7 Ų | 43.7 | 46% | 0.462 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.9 | -34.9 | 178.3 | 76.6 | 0 | 0 | 0 | 0 | 113.7 | A316 V317 A318 | A316-S320 PolarHBondContact O-N 2.87Å; V317-S320 PolarHBondContact O-N 3.37Å; V317-S320 VanDerWaalsContact O-N 3.09Å; V317-S320 PolarHBondContact O-OG 3.4Å; A318-S320 VanDerWaalsContact C-N 3.28Å; A318-S320 PolarHBondContact O-N 2.9Å |
| 321 | L | 84 | Confident | 84.2 | Confident | 60 Ų | 60 | 41.7 Ų | 41.7 | 31% | 0.314 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -80.7 | -27.3 | -179.7 | -94.2 | 66.1 | 0 | 0 | 0 | 112.4 | V317 A318 D323 K324 A325 L330 | V317-L321 HydrophobicContact CG1-CD1 3.85Å; V317-L321 HydrophobicContact CG1-CD2 4.33Å; V317-L321 WeakPolarHBondContact O-CD1 3.31Å; V317-L321 PolarHBondContact O-N 3.18Å; A318-L321 PolarHBondContact O-N 3.41Å; L321-D323 PolarHBondContact O-N 3.36Å; L321-K324 PolarHBondContact O-N 3.19Å; L321-A325 PolarHBondContact O-N 2.89Å; L321-L330 HydrophobicContact CB-CD1 4.19Å; L321-L330 HydrophobicContact CB-CD2 4.02Å; L321-L330 HydrophobicContact CD2-CD2 4.12Å |
| 322 | M | 77.6 | Confident | 84.2 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 5% | 0.054 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.2 | -37.2 | -174.9 | -167.4 | 179.1 | -57.4 | 0 | 0 | 113.1 | A318 R327 L330 P399 I400 L403 | A318-M322 VanDerWaalsContact O-CB 3.31Å; A318-M322 WeakPolarHBondContact O-CB 3.32Å; A318-M322 PolarHBondContact O-N 2.86Å; M322-R327 HydrophobicContact CG-CG 4.28Å; M322-R327 PolarHBondContact O-NH1 2.89Å; M322-L330 VanDerWaalsContact CA-CD1 3.43Å; M322-L330 HydrophobicContact CB-CD1 4.13Å; M322-L330 HydrophobicContact CG-CD1 4.5Å; M322-P399 HydrophobicContact CE-CB 4.1Å; M322-P399 HydrophobicContact CE-CG 4.34Å; M322-I400 HydrophobicContact CE-CG1 3.76Å; M322-L403 HydrophobicContact SD-CD1 3.87Å |
| 323 | D | 72.7 | Confident | 84.3 | Confident | 102 Ų | 102 | 45.9 Ų | 45.9 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -81 | -23.2 | 178.2 | -70.4 | -27.4 | 0 | 0 | 0 | 113.3 | L321 R327 R471 | L321-D323 PolarHBondContact O-N 3.36Å; D323-R327 IonicContact OD1-NH1 3.83Å; D323-R327 IonicContact OD1-NH2 2.85Å; D323-R327 PolarHBondContact OD1-NH2 2.89Å; D323-R471 PolarHBondContact O-NE 3.01Å; D323-R471 PolarHBondContact O-NH2 3.26Å |
| 324 | K | 79.5 | Confident | 84.4 | Confident | 163 Ų | 163 | 40.5 Ų | 40.5 | 71% | 0.709 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -92.6 | -48.1 | -177.6 | -65.7 | -173.4 | -178.1 | 179 | 0 | 113.9 | L321 R471 | L321-K324 PolarHBondContact O-N 3.19Å; K324-R471 PolarHBondContact O-NH1 2.91Å; K324-R471 PolarHBondContact O-NH2 2.98Å |
| 325 | A | 80.3 | Confident | 84.6 | Confident | 48 Ų | 48 | 40.6 Ų | 40.6 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -88.9 | -26.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L321 L330 | L321-A325 PolarHBondContact O-N 2.89Å; A325-L330 HydrophobicContact CB-CG 4.25Å |
| 326 | G | 77.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | 91.3 | 161.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L330 | G326-L330 PolarHBondContact O-N 3.46Š| ||
| 327 | R | 82.6 | Confident | 85.3 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 11% | 0.106 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -79.2 | -38.5 | -167.9 | -71.3 | 77.8 | 177.1 | 140.7 | 5.9 | 110.6 | M322 D323 L331 I400 L403 E469 | M322-R327 HydrophobicContact CG-CG 4.28Å; M322-R327 PolarHBondContact O-NH1 2.89Å; D323-R327 IonicContact OD1-NH1 3.83Å; D323-R327 IonicContact OD1-NH2 2.85Å; D323-R327 PolarHBondContact OD1-NH2 2.89Å; R327-L331 WeakPolarHBondContact O-CG 3.25Å; R327-L331 PolarHBondContact O-N 3.07Å; R327-L331 VanDerWaalsContact O-N 3.12Å; R327-I400 HydrophobicContact CB-CG2 4.02Å; R327-I400 HydrophobicContact CG-CG2 4.29Å; R327-L403 HydrophobicContact CG-CD2 4.17Å; R327-E469 PolarHBondContact N-OE1 3.43Å |
| 328 | K | 85.1 | Confident | 85.7 | Confident | 56 Ų | 56 | 42.8 Ų | 42.8 | 24% | 0.243 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -47.9 | -179.2 | -171.6 | 167.2 | -178.5 | 158 | 0 | 111 | L330 L331 Y332 N463 A464 I467 E469 | K328-L330 VanDerWaalsContact C-N 3.33Å; K328-L330 PolarHBondContact O-N 3.19Å; K328-L331 PolarHBondContact O-N 2.83Å; K328-L331 VanDerWaalsContact O-N 3.13Å; K328-Y332 HydrophobicContact CD-CE2 4.24Å; K328-Y332 HydrophobicContact CG-CD2 3.92Å; K328-Y332 HydrophobicContact CG-CE2 3.67Å; K328-Y332 VanDerWaalsContact O-CD2 3.28Å; K328-Y332 WeakPolarHBondContact O-CD2 3.21Å; K328-Y332 PolarHBondContact O-N 2.87Å; K328-N463 WeakPolarHBondContact CE-O 3.3Å; K328-A464 PolarHBondContact NZ-O 2.98Å; K328-I467 WeakPolarHBondContact CE-O 3.43Å; K328-I467 PolarHBondContact NZ-O 2.97Å; K328-E469 HydrophobicContact CB-CB 4.45Å; K328-E469 WeakPolarHBondContact CB-OE2 3.39Å; K328-E469 PolarHBondContact N-OE2 3.43Å; K328-E469 VanDerWaalsContact N-OE2 3.11Å |
| 329 | A | 87.3 | Confident | 86.2 | Confident | 44 Ų | 44 | 45 Ų | 45 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.8 | -41.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y332 T333 | A329-Y332 PolarHBondContact O-N 3.17Å; A329-T333 WeakPolarHBondContact O-CG2 3.45Å; A329-T333 PolarHBondContact O-N 2.84Å; A329-T333 PolarHBondContact O-OG1 3.11Å |
| 330 | L | 87.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 175.7 | -79 | 167.1 | 0 | 0 | 0 | 112.8 | L321 M322 A325 G326 K328 T333 S334 M395 I400 | L321-L330 HydrophobicContact CB-CD1 4.19Å; L321-L330 HydrophobicContact CB-CD2 4.02Å; L321-L330 HydrophobicContact CD2-CD2 4.12Å; M322-L330 VanDerWaalsContact CA-CD1 3.43Å; M322-L330 HydrophobicContact CB-CD1 4.13Å; M322-L330 HydrophobicContact CG-CD1 4.5Å; A325-L330 HydrophobicContact CB-CG 4.25Å; G326-L330 PolarHBondContact O-N 3.46Å; K328-L330 VanDerWaalsContact C-N 3.33Å; K328-L330 PolarHBondContact O-N 3.19Å; L330-T333 WeakPolarHBondContact CA-OG1 3.34Å; L330-T333 PolarHBondContact O-OG1 3.33Å; L330-T333 VanDerWaalsContact O-OG1 3.05Å; L330-S334 WeakPolarHBondContact O-CB 3.4Å; L330-S334 PolarHBondContact O-N 3.44Å; L330-M395 HydrophobicContact CD2-CG 4.03Å; L330-M395 HydrophobicContact CD2-SD 4.33Å; L330-I400 HydrophobicContact CB-CD1 3.4Å; L330-I400 HydrophobicContact CD1-CD1 4.12Å; L330-I400 HydrophobicContact CG-CD1 4.42Å |
| 331 | L | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -40 | 174.7 | -78.6 | 172.7 | 0 | 0 | 0 | 112.3 | R327 K328 S335 W397 I400 L404 N463 I467 | R327-L331 WeakPolarHBondContact O-CG 3.25Å; R327-L331 PolarHBondContact O-N 3.07Å; R327-L331 VanDerWaalsContact O-N 3.12Å; K328-L331 PolarHBondContact O-N 2.83Å; K328-L331 VanDerWaalsContact O-N 3.13Å; L331-S335 WeakPolarHBondContact O-CB 3.38Å; L331-S335 PolarHBondContact O-N 3.36Å; L331-S335 PolarHBondContact O-OG 3.14Å; L331-W397 HydrophobicContact CD2-CD2 4.42Å; L331-W397 HydrophobicContact CD2-CG 4.36Å; L331-I400 HydrophobicContact CD1-CG2 3.67Å; L331-I400 HydrophobicContact CD2-CB 3.99Å; L331-I400 HydrophobicContact CD2-CD1 4.43Å; L331-I400 HydrophobicContact CD2-CG2 4.06Å; L331-I400 HydrophobicContact CG-CB 4.14Å; L331-I400 HydrophobicContact CG-CD1 4.09Å; L331-I400 HydrophobicContact CG-CG2 3.75Å; L331-L404 HydrophobicContact CD1-CD1 3.58Å; L331-N463 PolarHBondContact O-ND2 3.34Å; L331-I467 HydrophobicContact CD1-CD1 3.69Å; L331-I467 HydrophobicContact CD1-CG2 4.22Å |
| 332 | Y | 90.1 | Very high | 87.6 | Confident | 75 Ų | 75 | 42.2 Ų | 42.2 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.6 | -51.6 | 175.4 | -87.6 | -83.2 | 0 | 0 | 0 | 112.8 | K328 A329 S334 S335 M336 L460 N463 A464 | K328-Y332 HydrophobicContact CD-CE2 4.24Å; K328-Y332 HydrophobicContact CG-CD2 3.92Å; K328-Y332 HydrophobicContact CG-CE2 3.67Å; K328-Y332 VanDerWaalsContact O-CD2 3.28Å; K328-Y332 WeakPolarHBondContact O-CD2 3.21Å; K328-Y332 PolarHBondContact O-N 2.87Å; A329-Y332 PolarHBondContact O-N 3.17Å; Y332-S334 VanDerWaalsContact C-N 3.3Å; Y332-S334 PolarHBondContact O-N 3.1Å; Y332-S335 PolarHBondContact O-N 3.47Å; Y332-M336 WeakPolarHBondContact O-CB 3.25Å; Y332-M336 PolarHBondContact O-N 3.41Å; Y332-L460 HydrophobicContact CD1-CD2 4.21Å; Y332-N463 HydrophobicContact CD2-CB 4.49Å; Y332-N463 HydrophobicContact CE2-CB 4.3Å; Y332-N463 PolarHBondContact OH-O 3Å; Y332-A464 HydrophobicContact CE1-CB 3.91Å; Y332-A464 WeakPolarHBondContact OH-CA 3.46Å; Y332-A464 WeakPolarHBondContact OH-CB 3.16Å; Y332-A464 PolarHBondContact OH-N 3.46Å; Y332-A464 PolarHBondContact OH-O 3.36Å |
| 333 | T | 91.8 | Very high | 88.2 | Confident | 69 Ų | 69 | 44.8 Ų | 44.8 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 179.7 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | A329 L330 M336 L337 | A329-T333 WeakPolarHBondContact O-CG2 3.45Å; A329-T333 PolarHBondContact O-N 2.84Å; A329-T333 PolarHBondContact O-OG1 3.11Å; L330-T333 WeakPolarHBondContact CA-OG1 3.34Å; L330-T333 PolarHBondContact O-OG1 3.33Å; L330-T333 VanDerWaalsContact O-OG1 3.05Å; T333-M336 PolarHBondContact O-N 3.41Å; T333-L337 WeakPolarHBondContact O-CG 3.4Å; T333-L337 PolarHBondContact O-N 3.17Å |
| 334 | S | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | 172.7 | 174.4 | 0 | 0 | 0 | 0 | 112.6 | L330 Y332 M336 L337 M338 G392 G396 W397 | L330-S334 WeakPolarHBondContact O-CB 3.4Å; L330-S334 PolarHBondContact O-N 3.44Å; Y332-S334 VanDerWaalsContact C-N 3.3Å; Y332-S334 PolarHBondContact O-N 3.1Å; S334-M336 VanDerWaalsContact C-N 3.32Å; S334-M336 PolarHBondContact O-N 3.44Å; S334-L337 PolarHBondContact O-N 3.01Å; S334-M338 VanDerWaalsContact O-CG 3.28Å; S334-M338 WeakPolarHBondContact O-CG 3.25Å; S334-M338 PolarHBondContact O-N 3.04Å; S334-G392 VanDerWaalsContact CB-O 3.28Å; S334-G392 WeakPolarHBondContact CB-O 3.27Å; S334-G392 PolarHBondContact OG-O 3.22Å; S334-G396 WeakPolarHBondContact OG-CA 3.37Å; S334-G396 PolarHBondContact OG-N 2.77Å; S334-W397 PolarHBondContact OG-N 2.86Å |
| 335 | S | 92.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 178.4 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | L331 Y332 M338 F339 W397 L460 N463 | L331-S335 WeakPolarHBondContact O-CB 3.38Å; L331-S335 PolarHBondContact O-N 3.36Å; L331-S335 PolarHBondContact O-OG 3.14Å; Y332-S335 PolarHBondContact O-N 3.47Å; S335-M338 PolarHBondContact O-N 2.83Å; S335-F339 WeakPolarHBondContact O-CB 3.49Å; S335-F339 PolarHBondContact O-N 3.14Å; S335-W397 PolarHBondContact OG-NE1 3.22Å; S335-L460 VanDerWaalsContact CB-CD2 3.46Å; S335-N463 PolarHBondContact OG-ND2 3.36Å |
| 336 | M | 93.8 | Very high | 89.8 | Confident | 90 Ų | 90 | 33 Ų | 33 | 44% | 0.443 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.4 | -44.4 | 179.1 | -171.6 | 63.9 | 76.4 | 0 | 0 | 111.1 | Y332 T333 S334 M338 F339 L340 L460 | Y332-M336 WeakPolarHBondContact O-CB 3.25Å; Y332-M336 PolarHBondContact O-N 3.41Å; T333-M336 PolarHBondContact O-N 3.41Å; S334-M336 VanDerWaalsContact C-N 3.32Å; S334-M336 PolarHBondContact O-N 3.44Å; M336-M338 VanDerWaalsContact C-N 3.33Å; M336-M338 PolarHBondContact O-N 3.11Å; M336-F339 PolarHBondContact O-N 3.19Å; M336-F339 HydrophobicContact SD-CD1 4.31Å; M336-L340 HydrophobicContact CG-CD1 4.17Å; M336-L340 WeakPolarHBondContact O-CB 3.36Å; M336-L340 WeakPolarHBondContact O-CG 3.46Å; M336-L340 PolarHBondContact O-N 3.24Å; M336-L460 HydrophobicContact CE-CD1 4.39Å; M336-L460 HydrophobicContact CE-CD2 4.35Å; M336-L460 HydrophobicContact SD-CD1 4.41Å |
| 337 | L | 93.9 | Very high | 90.2 | Very high | 54 Ų | 54 | 38.2 Ų | 38.2 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 174.5 | -75 | 167.9 | 0 | 0 | 0 | 111.6 | T333 S334 S341 V388 F391 | T333-L337 WeakPolarHBondContact O-CG 3.4Å; T333-L337 PolarHBondContact O-N 3.17Å; S334-L337 PolarHBondContact O-N 3.01Å; L337-S341 WeakPolarHBondContact O-CB 3.4Å; L337-S341 PolarHBondContact O-N 3.45Å; L337-S341 PolarHBondContact O-OG 3.06Å; L337-V388 HydrophobicContact CD2-CG1 4.31Å; L337-F391 HydrophobicContact CD1-CD1 4.33Å; L337-F391 HydrophobicContact CD1-CE1 4.29Å |
| 338 | M | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 175.9 | -70.7 | 174 | 64.9 | 0 | 0 | 112.1 | T278 S334 S335 M336 S341 S342 F389 Y393 W397 | T278-M338 VanDerWaalsContact CB-CE 3.46Å; T278-M338 HydrophobicContact CG2-CE 3.51Å; S334-M338 VanDerWaalsContact O-CG 3.28Å; S334-M338 WeakPolarHBondContact O-CG 3.25Å; S334-M338 PolarHBondContact O-N 3.04Å; S335-M338 PolarHBondContact O-N 2.83Å; M336-M338 VanDerWaalsContact C-N 3.33Å; M336-M338 PolarHBondContact O-N 3.11Å; M338-S341 WeakPolarHBondContact CA-OG 3.23Å; M338-S341 PolarHBondContact O-OG 3.45Å; M338-S342 VanDerWaalsContact O-CB 3.29Å; M338-S342 WeakPolarHBondContact O-CB 3.05Å; M338-S342 PolarHBondContact O-N 3.36Å; M338-S342 PolarHBondContact O-OG 3.27Å; M338-S342 VanDerWaalsContact O-OG 3.13Å; M338-F389 HydrophobicContact CB-CD2 4.12Å; M338-F389 HydrophobicContact CB-CE2 4.04Å; M338-F389 HydrophobicContact CE-CE1 4.39Å; M338-F389 HydrophobicContact CE-CE2 3.83Å; M338-F389 HydrophobicContact CE-CZ 3.65Å; M338-F389 HydrophobicContact CG-CD2 4.3Å; M338-F389 HydrophobicContact CG-CE2 4.27Å; M338-Y393 HydrophobicContact CE-CD2 3.91Å; M338-Y393 VanDerWaalsContact SD-CA 3.58Å; M338-Y393 HydrophobicContact SD-CD2 4.07Å; M338-Y393 HydrophobicContact SD-CG 4.45Å; M338-W397 HydrophobicContact SD-CB 4.3Å; M338-W397 HydrophobicContact SD-CG 4.16Å |
| 339 | F | 94.7 | Very high | 89.7 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 20% | 0.202 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 177.5 | 170.3 | -106.8 | 0 | 0 | 0 | 112.3 | S335 M336 S341 S342 L343 T453 C456 V457 L460 | S335-F339 WeakPolarHBondContact O-CB 3.49Å; S335-F339 PolarHBondContact O-N 3.14Å; M336-F339 PolarHBondContact O-N 3.19Å; M336-F339 HydrophobicContact SD-CD1 4.31Å; F339-S341 PolarHBondContact O-N 2.96Å; F339-S342 PolarHBondContact O-N 3.08Å; F339-S342 PolarHBondContact O-OG 2.92Å; F339-S342 VanDerWaalsContact O-OG 3.1Å; F339-L343 HydrophobicContact CE1-CD2 4.36Å; F339-L343 HydrophobicContact CZ-CD2 4.17Å; F339-L343 WeakPolarHBondContact O-CB 3.28Å; F339-L343 PolarHBondContact O-N 3.43Å; F339-T453 HydrophobicContact CD2-CG2 3.97Å; F339-T453 HydrophobicContact CE2-CG2 3.7Å; F339-C456 HydrophobicContact CB-CB 3.89Å; F339-C456 HydrophobicContact CD2-CB 4.29Å; F339-V457 HydrophobicContact CD2-CG2 3.6Å; F339-V457 HydrophobicContact CE2-CG2 3.32Å; F339-V457 HydrophobicContact CZ-CG2 4.18Å; F339-L460 HydrophobicContact CB-CD1 4.22Å; F339-L460 HydrophobicContact CG-CD1 4.37Å |
| 340 | L | 94.2 | Very high | 89.3 | Confident | 90 Ų | 90 | 40.5 Ų | 40.5 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 179.6 | -71.2 | 171.7 | 0 | 0 | 0 | 111 | M336 L343 T344 | M336-L340 HydrophobicContact CG-CD1 4.17Å; M336-L340 WeakPolarHBondContact O-CB 3.36Å; M336-L340 WeakPolarHBondContact O-CG 3.46Å; M336-L340 PolarHBondContact O-N 3.24Å; L340-L343 PolarHBondContact O-N 3.27Å; L340-T344 PolarHBondContact O-N 3.41Å; L340-T344 PolarHBondContact O-OG1 3.44Å |
| 341 | S | 92.2 | Very high | 88.2 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 178.8 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | L337 M338 F339 L343 T344 L345 S385 F389 | L337-S341 WeakPolarHBondContact O-CB 3.4Å; L337-S341 PolarHBondContact O-N 3.45Å; L337-S341 PolarHBondContact O-OG 3.06Å; M338-S341 WeakPolarHBondContact CA-OG 3.23Å; M338-S341 PolarHBondContact O-OG 3.45Å; F339-S341 PolarHBondContact O-N 2.96Å; S341-L343 VanDerWaalsContact C-N 3.34Å; S341-T344 PolarHBondContact O-N 3.44Å; S341-L345 WeakPolarHBondContact O-CG 3.31Å; S341-L345 PolarHBondContact O-N 2.8Å; S341-S385 VanDerWaalsContact CB-O 3.3Å; S341-S385 WeakPolarHBondContact CB-O 3.14Å; S341-F389 VanDerWaalsContact OG-CA 3.23Å; S341-F389 WeakPolarHBondContact OG-CA 3.17Å; S341-F389 WeakPolarHBondContact OG-CB 3.41Å; S341-F389 PolarHBondContact OG-N 2.9Å |
| 342 | S | 90.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 176.7 | 72.1 | 0 | 0 | 0 | 0 | 111.3 | M338 F339 L345 T346 T453 | M338-S342 VanDerWaalsContact O-CB 3.29Å; M338-S342 WeakPolarHBondContact O-CB 3.05Å; M338-S342 PolarHBondContact O-N 3.36Å; M338-S342 PolarHBondContact O-OG 3.27Å; M338-S342 VanDerWaalsContact O-OG 3.13Å; F339-S342 PolarHBondContact O-N 3.08Å; F339-S342 PolarHBondContact O-OG 2.92Å; F339-S342 VanDerWaalsContact O-OG 3.1Å; S342-L345 PolarHBondContact O-N 2.74Å; S342-T346 PolarHBondContact O-N 3.09Å; S342-T346 PolarHBondContact O-OG1 3.4Å; S342-T453 VanDerWaalsContact CB-OG1 3.28Å; S342-T453 WeakPolarHBondContact CB-OG1 3.26Å; S342-T453 PolarHBondContact O-OG1 3.33Å; S342-T453 VanDerWaalsContact OG-CA 3.28Å; S342-T453 WeakPolarHBondContact OG-CA 3.02Å; S342-T453 PolarHBondContact OG-OG1 3.04Å |
| 343 | L | 91.8 | Very high | 84.6 | Confident | 65 Ų | 65 | 50.6 Ų | 50.6 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 174.8 | 179.5 | 64.1 | 0 | 0 | 0 | 110.9 | F339 L340 S341 L345 T346 M347 T453 | F339-L343 HydrophobicContact CE1-CD2 4.36Å; F339-L343 HydrophobicContact CZ-CD2 4.17Å; F339-L343 WeakPolarHBondContact O-CB 3.28Å; F339-L343 PolarHBondContact O-N 3.43Å; L340-L343 PolarHBondContact O-N 3.27Å; S341-L343 VanDerWaalsContact C-N 3.34Å; L343-L345 VanDerWaalsContact C-N 3.34Å; L343-L345 PolarHBondContact O-N 3.35Å; L343-T346 PolarHBondContact O-N 3.17Å; L343-M347 HydrophobicContact CD1-CG 4.38Å; L343-M347 VanDerWaalsContact O-CG 3.29Å; L343-M347 WeakPolarHBondContact O-CG 3.48Å; L343-M347 PolarHBondContact O-N 3.27Å; L343-T453 HydrophobicContact CB-CG2 4.11Å; L343-T453 HydrophobicContact CD1-CG2 4.15Å; L343-T453 PolarHBondContact N-OG1 2.81Å |
| 344 | T | 89.4 | Confident | 82.4 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 174.7 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | L340 S341 T346 M347 I348 V381 S385 | L340-T344 PolarHBondContact O-N 3.41Å; L340-T344 PolarHBondContact O-OG1 3.44Å; S341-T344 PolarHBondContact O-N 3.44Å; T344-T346 PolarHBondContact O-N 3.19Å; T344-M347 PolarHBondContact O-N 2.95Å; T344-I348 HydrophobicContact CG2-CD1 3.65Å; T344-I348 HydrophobicContact CG2-CG1 4.48Å; T344-I348 WeakPolarHBondContact O-CD1 3.36Å; T344-I348 VanDerWaalsContact O-CG1 3.26Å; T344-I348 WeakPolarHBondContact O-CG1 3.39Å; T344-I348 PolarHBondContact O-N 3.36Å; T344-V381 HydrophobicContact CG2-CG1 4.02Å; T344-S385 WeakPolarHBondContact CG2-OG 3.27Å |
| 345 | L | 87.1 | Confident | 80 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 176.1 | -72.9 | 170 | 0 | 0 | 0 | 112.5 | S341 S342 L343 S349 P382 Y449 | S341-L345 WeakPolarHBondContact O-CG 3.31Å; S341-L345 PolarHBondContact O-N 2.8Å; S342-L345 PolarHBondContact O-N 2.74Å; L343-L345 VanDerWaalsContact C-N 3.34Å; L343-L345 PolarHBondContact O-N 3.35Å; L345-S349 VanDerWaalsContact O-CB 3.28Å; L345-S349 WeakPolarHBondContact O-CB 3.26Å; L345-S349 PolarHBondContact O-N 2.89Å; L345-S349 PolarHBondContact O-OG 2.94Å; L345-P382 HydrophobicContact CD2-CB 4.26Å; L345-Y449 HydrophobicContact CB-CD1 4.3Å; L345-Y449 HydrophobicContact CB-CD2 3.9Å; L345-Y449 HydrophobicContact CB-CE2 4.16Å; L345-Y449 HydrophobicContact CB-CG 3.98Å; L345-Y449 HydrophobicContact CD1-CD1 4.34Å; L345-Y449 HydrophobicContact CD1-CE1 4.09Å; L345-Y449 HydrophobicContact CD2-CE2 4.49Å |
| 346 | T | 88.1 | Confident | 77.3 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.1 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | S342 L343 T344 S349 H350 Y446 Y449 L450 T453 | S342-T346 PolarHBondContact O-N 3.09Å; S342-T346 PolarHBondContact O-OG1 3.4Å; L343-T346 PolarHBondContact O-N 3.17Å; T344-T346 PolarHBondContact O-N 3.19Å; T346-S349 PolarHBondContact O-N 2.94Å; T346-H350 PolarHBondContact O-N 3.36Å; T346-H350 VanDerWaalsContact O-N 3.1Å; T346-Y446 HydrophobicContact CG2-CD2 3.92Å; T346-Y446 HydrophobicContact CG2-CE2 3.57Å; T346-Y446 WeakPolarHBondContact O-CD2 3.44Å; T346-Y449 WeakPolarHBondContact OG1-CB 3.39Å; T346-Y449 PolarHBondContact OG1-O 3.47Å; T346-L450 HydrophobicContact CG2-CB 3.92Å; T346-L450 HydrophobicContact CG2-CD1 3.93Å; T346-L450 PolarHBondContact OG1-N 2.88Å; T346-T453 PolarHBondContact OG1-OG1 3.27Å |
| 347 | M | 85.6 | Confident | 74.9 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | -179 | -69.2 | -60.5 | -66.3 | 0 | 0 | 111.4 | L343 T344 S349 H350 T351 | L343-M347 HydrophobicContact CD1-CG 4.38Å; L343-M347 VanDerWaalsContact O-CG 3.29Å; L343-M347 WeakPolarHBondContact O-CG 3.48Å; L343-M347 PolarHBondContact O-N 3.27Å; T344-M347 PolarHBondContact O-N 2.95Å; M347-S349 PolarHBondContact O-N 3.29Å; M347-H350 WeakPolarHBondContact O-CB 3.4Å; M347-H350 PolarHBondContact O-N 2.88Å; M347-T351 WeakPolarHBondContact O-CG2 3.5Å; M347-T351 PolarHBondContact O-N 3.15Å; M347-T351 VanDerWaalsContact O-N 3.09Å; M347-T351 PolarHBondContact O-OG1 3.31Å |
| 348 | I | 80.8 | Confident | 72.3 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 12% | 0.118 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 179.5 | -66 | 161.3 | 0 | 0 | 0 | 111.3 | T344 H350 T351 T352 V381 P382 | T344-I348 HydrophobicContact CG2-CD1 3.65Å; T344-I348 HydrophobicContact CG2-CG1 4.48Å; T344-I348 WeakPolarHBondContact O-CD1 3.36Å; T344-I348 VanDerWaalsContact O-CG1 3.26Å; T344-I348 WeakPolarHBondContact O-CG1 3.39Å; T344-I348 PolarHBondContact O-N 3.36Å; I348-H350 PolarHBondContact O-N 3.13Å; I348-T351 PolarHBondContact O-N 3.09Å; I348-T351 VanDerWaalsContact O-N 3.11Å; I348-T351 PolarHBondContact O-OG1 2.91Å; I348-T352 PolarHBondContact O-N 3.48Å; I348-T352 PolarHBondContact O-OG1 3.45Å; I348-V381 HydrophobicContact CD1-CB 3.74Å; I348-V381 HydrophobicContact CD1-CG1 3.3Å; I348-P382 HydrophobicContact CG2-CG 4.21Å |
| 349 | S | 77.9 | Confident | 69.5 | Low | 29 Ų | 29 | 74.9 Ų | 74.9 | 20% | 0.203 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67 | -18.8 | 179 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | L345 T346 M347 Y449 | L345-S349 VanDerWaalsContact O-CB 3.28Å; L345-S349 WeakPolarHBondContact O-CB 3.26Å; L345-S349 PolarHBondContact O-N 2.89Å; L345-S349 PolarHBondContact O-OG 2.94Å; T346-S349 PolarHBondContact O-N 2.94Å; M347-S349 PolarHBondContact O-N 3.29Å; S349-Y449 WeakPolarHBondContact OG-CD2 3.33Å |
| 350 | H | 77.5 | Confident | 66.8 | Low | 123 Ų | 123 | 79.7 Ų | 79.7 | 57% | 0.569 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -83.6 | -36.3 | 171.4 | -175.4 | -89 | 0 | 0 | 0 | 112.1 | T346 M347 I348 Y446 | T346-H350 PolarHBondContact O-N 3.36Å; T346-H350 VanDerWaalsContact O-N 3.1Å; M347-H350 WeakPolarHBondContact O-CB 3.4Å; M347-H350 PolarHBondContact O-N 2.88Å; I348-H350 PolarHBondContact O-N 3.13Å; H350-Y446 HydrophobicContact CB-CD2 3.75Å; H350-Y446 HydrophobicContact CB-CE2 3.73Å; H350-Y446 AromaticContact CD2-CE2 3.78Å; H350-Y446 AromaticContact CD2-CZ 3.88Å |
| 351 | T | 65.1 | Low | 63.9 | Low | 93 Ų | 93 | 79.4 Ų | 79.4 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -88.1 | -12.3 | -176.2 | 59.7 | 0 | 0 | 0 | 0 | 114.7 | M347 I348 P353 | M347-T351 WeakPolarHBondContact O-CG2 3.5Å; M347-T351 PolarHBondContact O-N 3.15Å; M347-T351 VanDerWaalsContact O-N 3.09Å; M347-T351 PolarHBondContact O-OG1 3.31Å; I348-T351 PolarHBondContact O-N 3.09Å; I348-T351 VanDerWaalsContact O-N 3.11Å; I348-T351 PolarHBondContact O-OG1 2.91Å; T351-P353 VanDerWaalsContact O-CD 3.32Å; T351-P353 WeakPolarHBondContact O-CD 3.04Å |
| 352 | T | 56.6 | Low | 61.5 | Low | 81 Ų | 81 | 84.6 Ų | 84.6 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -93.2 | 103.3 | 169.1 | 29.3 | 0 | 0 | 0 | 0 | 108.3 | I348 C354 | I348-T352 PolarHBondContact O-N 3.48Å; I348-T352 PolarHBondContact O-OG1 3.45Å; T352-C354 PolarHBondContact O-N 3.27Å |
| 353 | P | 48 | Very low | 59.4 | Low | 116 Ų | 116 | 91.7 Ų | 91.7 | 75% | 0.753 | 56% | 0.559 | S | S | * | * | trans | -60.9 | 137.2 | 168.2 | -6.3 | 20.4 | 0 | 0 | 0 | 107.6 | T351 | T351-P353 VanDerWaalsContact O-CD 3.32Å; T351-P353 WeakPolarHBondContact O-CD 3.04Å | ||
| 354 | C | 43.8 | Very low | 56.7 | Low | 105 Ų | 105 | 93.3 Ų | 93.3 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | trans | -51.1 | 139.4 | 161.4 | -68.6 | 0 | 0 | 0 | 0 | 108 | T352 A356 | T352-C354 PolarHBondContact O-N 3.27Å; C354-A356 VanDerWaalsContact C-N 3.32Å; C354-A356 PolarHBondContact O-N 3.29Å | ||
| 355 | P | 43.4 | Very low | 54.7 | Low | 128 Ų | 128 | 99 Ų | 99 | 83% | 0.831 | 60% | 0.598 | S | S | * | * | trans | -62.2 | 101.8 | 170.2 | 24.2 | -29 | 0 | 0 | 0 | 107.5 | V357 | P355-V357 PolarHBondContact O-N 2.99Š| ||
| 356 | A | 35 | Very low | 52.4 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 74% | 0.736 | 64% | 0.642 | S | S | * | * | trans | -64.6 | 118.7 | 161 | 0 | 0 | 0 | 0 | 0 | 106 | C354 N358 | C354-A356 VanDerWaalsContact C-N 3.32Å; C354-A356 PolarHBondContact O-N 3.29Å; A356-N358 PolarHBondContact O-N 3.29Å | ||
| 357 | V | 44 | Very low | 50 | Low | 127 Ų | 127 | 108.5 Ų | 108.5 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -46.1 | 130.6 | 165.9 | 171.2 | 0 | 0 | 0 | 0 | 108.9 | P355 | P355-V357 PolarHBondContact O-N 2.99Š|
| 358 | N | 39 | Very low | 48 | Very low | 144 Ų | 144 | 107.9 Ų | 107.9 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | trans | 68.7 | 94.5 | 171.3 | -65.1 | -9.8 | 0 | 0 | 0 | 118.2 | A356 | A356-N358 PolarHBondContact O-N 3.29Š| ||
| 359 | V | 34.5 | Very low | 46.1 | Very low | 132 Ų | 132 | 111 Ų | 111 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | trans | -136.3 | 103.7 | 136.6 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | A361 | V359-A361 HydrophobicContact CG1-CB 4.38Å; V359-A361 PolarHBondContact O-N 3.17Å | ||
| 360 | T | 38.8 | Very low | 44.1 | Very low | 148 Ų | 148 | 116.2 Ų | 116.2 | 91% | 0.908 | 71% | 0.709 | S | S | * | * | trans | -61 | 112.2 | 154.6 | 34.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 361 | A | 32.5 | Very low | 42.4 | Very low | 84 Ų | 84 | 116.1 Ų | 116.1 | 69% | 0.694 | 71% | 0.708 | S | S | * | * | trans | -149.8 | 141.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V359 | V359-A361 HydrophobicContact CG1-CB 4.38Å; V359-A361 PolarHBondContact O-N 3.17Å | ||
| 362 | P | 42.7 | Very low | 41.2 | Very low | 113 Ų | 113 | 114 Ų | 114 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -94.4 | 146.6 | -159 | 36.1 | -31.8 | 0 | 0 | 0 | 114 | ||||
| 363 | N | 45.3 | Very low | 40.3 | Very low | 151 Ų | 151 | 113.3 Ų | 113.3 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | trans | 49.9 | 103.7 | 141.9 | -51.4 | -6.4 | 0 | 0 | 0 | 119.1 | ||||
| 364 | S | 35.3 | Very low | 39.9 | Very low | 98 Ų | 98 | 113.9 Ų | 113.9 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | trans | -144.7 | 94.1 | 144.2 | 61.6 | 0 | 0 | 0 | 0 | 111 | L366 | S364-L366 PolarHBondContact O-N 2.81Š| ||
| 365 | E | 47.8 | Very low | 40 | Very low | 176 Ų | 176 | 115.5 Ų | 115.5 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 11.9 | -169.7 | -65.9 | -167.5 | 145.2 | 0 | 0 | 116 | ||
| 366 | L | 39.6 | Very low | 40.3 | Very low | 179 Ų | 179 | 112.6 Ų | 112.6 | 94% | 0.937 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -7.2 | -176.9 | -155.8 | 65.1 | 0 | 0 | 0 | 114.6 | S364 | S364-L366 PolarHBondContact O-N 2.81Š|
| 367 | G | 37.6 | Very low | 41 | Very low | 31 Ų | 31 | 111.2 Ų | 111.2 | 32% | 0.32 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -92.7 | -12.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | A369 Q371 | G367-A369 PolarHBondContact O-N 2.8Å; G367-Q371 WeakPolarHBondContact O-CB 3.33Å; G367-Q371 PolarHBondContact O-N 2.83Å; G367-Q371 VanDerWaalsContact O-N 3.12Å |
| 368 | N | 43.5 | Very low | 41.7 | Very low | 95 Ų | 95 | 109.4 Ų | 109.4 | 51% | 0.508 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -75.3 | -21.3 | -162.2 | -68.2 | -15.8 | 0 | 0 | 0 | 114.9 | A372 | N368-A372 WeakPolarHBondContact O-CB 3.23Å; N368-A372 PolarHBondContact O-N 3.34Å |
| 369 | A | 41.4 | Very low | 42.9 | Very low | 88 Ų | 88 | 103.6 Ų | 103.6 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.3 | -35.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | G367 S373 | G367-A369 PolarHBondContact O-N 2.8Å; A369-S373 PolarHBondContact O-N 2.89Å |
| 370 | L | 36 | Very low | 44.8 | Very low | 140 Ų | 140 | 101 Ų | 101 | 73% | 0.733 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -82.1 | -37.6 | 175.1 | -82.7 | 158.2 | 0 | 0 | 0 | 111.3 | S373 Q374 | L370-S373 PolarHBondContact O-N 3.26Å; L370-S373 PolarHBondContact O-OG 3.37Å; L370-Q374 WeakPolarHBondContact O-CB 3.42Å; L370-Q374 PolarHBondContact O-N 3.21Å |
| 371 | Q | 40.4 | Very low | 46.8 | Very low | 121 Ų | 121 | 96.2 Ų | 96.2 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.1 | -36.2 | 172.6 | -84.6 | 175.1 | -54.4 | 0 | 0 | 113.1 | G367 S373 Q374 E375 | G367-Q371 WeakPolarHBondContact O-CB 3.33Å; G367-Q371 PolarHBondContact O-N 2.83Å; G367-Q371 VanDerWaalsContact O-N 3.12Å; Q371-S373 VanDerWaalsContact C-N 3.32Å; Q371-S373 PolarHBondContact O-N 2.91Å; Q371-Q374 PolarHBondContact O-N 2.97Å; Q371-E375 WeakPolarHBondContact O-CB 3.24Å; Q371-E375 PolarHBondContact O-N 2.83Å |
| 372 | A | 40 | Very low | 49 | Very low | 49 Ų | 49 | 92.9 Ų | 92.9 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N368 T376 | N368-A372 WeakPolarHBondContact O-CB 3.23Å; N368-A372 PolarHBondContact O-N 3.34Å; A372-T376 WeakPolarHBondContact O-CB 3.37Å; A372-T376 PolarHBondContact O-N 3.49Å; A372-T376 VanDerWaalsContact O-N 3.08Å; A372-T376 PolarHBondContact O-OG1 2.87Å |
| 373 | S | 37.2 | Very low | 50.9 | Low | 65 Ų | 65 | 88.2 Ų | 88.2 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -33.6 | 174.5 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | A369 L370 Q371 A377 | A369-S373 PolarHBondContact O-N 2.89Å; L370-S373 PolarHBondContact O-N 3.26Å; L370-S373 PolarHBondContact O-OG 3.37Å; Q371-S373 VanDerWaalsContact C-N 3.32Å; Q371-S373 PolarHBondContact O-N 2.91Å; S373-A377 WeakPolarHBondContact O-CB 3.22Å; S373-A377 PolarHBondContact O-N 3.2Å; S373-A377 VanDerWaalsContact O-N 3.07Å |
| 374 | Q | 39.5 | Very low | 52.9 | Low | 129 Ų | 129 | 85.9 Ų | 85.9 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -75.1 | -39.1 | 178 | -161.8 | 117.9 | -12.4 | 0 | 0 | 112.3 | L370 Q371 A377 L378 | L370-Q374 WeakPolarHBondContact O-CB 3.42Å; L370-Q374 PolarHBondContact O-N 3.21Å; Q371-Q374 PolarHBondContact O-N 2.97Å; Q374-A377 PolarHBondContact O-N 3.08Å; Q374-L378 HydrophobicContact CG-CD1 4.34Å; Q374-L378 WeakPolarHBondContact O-CB 3.47Å; Q374-L378 WeakPolarHBondContact O-CD1 3.42Å; Q374-L378 WeakPolarHBondContact O-CG 3.05Å; Q374-L378 PolarHBondContact O-N 3.12Å |
| 375 | E | 47.3 | Very low | 55.5 | Low | 138 Ų | 138 | 81.7 Ų | 81.7 | 65% | 0.645 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.6 | -38.1 | 172.5 | -79.3 | -171.4 | 156.8 | 0 | 0 | 111.9 | Q371 L378 S379 | Q371-E375 WeakPolarHBondContact O-CB 3.24Å; Q371-E375 PolarHBondContact O-N 2.83Å; E375-L378 PolarHBondContact O-N 3.4Å; E375-S379 PolarHBondContact O-N 3.04Å; E375-S379 VanDerWaalsContact O-N 3.08Å; E375-S379 PolarHBondContact O-OG 3.11Å |
| 376 | T | 48.8 | Very low | 57.4 | Low | 67 Ų | 67 | 73.5 Ų | 73.5 | 41% | 0.411 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 177 | -47.8 | 0 | 0 | 0 | 0 | 111.2 | A372 S379 F380 | A372-T376 WeakPolarHBondContact O-CB 3.37Å; A372-T376 PolarHBondContact O-N 3.49Å; A372-T376 VanDerWaalsContact O-N 3.08Å; A372-T376 PolarHBondContact O-OG1 2.87Å; T376-S379 PolarHBondContact O-N 3.28Å; T376-F380 HydrophobicContact CG2-CE2 4.04Å; T376-F380 VanDerWaalsContact O-CD2 3.25Å; T376-F380 WeakPolarHBondContact O-CD2 3.31Å |
| 377 | A | 50.1 | Low | 59.8 | Low | 61 Ų | 61 | 66.1 Ų | 66.1 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S373 Q374 S379 F380 V381 | S373-A377 WeakPolarHBondContact O-CB 3.22Å; S373-A377 PolarHBondContact O-N 3.2Å; S373-A377 VanDerWaalsContact O-N 3.07Å; Q374-A377 PolarHBondContact O-N 3.08Å; A377-S379 VanDerWaalsContact C-N 3.27Å; A377-S379 PolarHBondContact O-N 3.23Å; A377-F380 PolarHBondContact O-N 3.05Å; A377-V381 VanDerWaalsContact O-CG2 3.22Å; A377-V381 WeakPolarHBondContact O-CG2 3.3Å |
| 378 | L | 59.2 | Low | 62.4 | Low | 88 Ų | 88 | 67.2 Ų | 67.2 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.3 | -28.7 | 176.2 | -74.2 | 167.8 | 0 | 0 | 0 | 112.8 | Q374 E375 V381 P382 | Q374-L378 HydrophobicContact CG-CD1 4.34Å; Q374-L378 WeakPolarHBondContact O-CB 3.47Å; Q374-L378 WeakPolarHBondContact O-CD1 3.42Å; Q374-L378 WeakPolarHBondContact O-CG 3.05Å; Q374-L378 PolarHBondContact O-N 3.12Å; E375-L378 PolarHBondContact O-N 3.4Å; L378-V381 PolarHBondContact O-N 3.1Å; L378-P382 WeakPolarHBondContact O-CD 3.46Å |
| 379 | S | 63.9 | Low | 64.7 | Low | 22 Ų | 22 | 62.7 Ų | 62.7 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.1 | -29.3 | -179.7 | -62 | 0 | 0 | 0 | 0 | 113.8 | E375 T376 A377 | E375-S379 PolarHBondContact O-N 3.04Å; E375-S379 VanDerWaalsContact O-N 3.08Å; E375-S379 PolarHBondContact O-OG 3.11Å; T376-S379 PolarHBondContact O-N 3.28Å; A377-S379 VanDerWaalsContact C-N 3.27Å; A377-S379 PolarHBondContact O-N 3.23Å |
| 380 | F | 74 | Confident | 67.1 | Low | 78 Ų | 78 | 58.6 Ų | 58.6 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -84.1 | -18 | 177.8 | -70.2 | -71.4 | 0 | 0 | 0 | 113.8 | L298 T376 A377 L383 I384 | L298-F380 HydrophobicContact CD1-CE1 4.43Å; T376-F380 HydrophobicContact CG2-CE2 4.04Å; T376-F380 VanDerWaalsContact O-CD2 3.25Å; T376-F380 WeakPolarHBondContact O-CD2 3.31Å; A377-F380 PolarHBondContact O-N 3.05Å; F380-L383 PolarHBondContact O-N 3.49Å; F380-I384 HydrophobicContact CB-CD1 4.32Å; F380-I384 WeakPolarHBondContact O-CG1 3.39Å; F380-I384 PolarHBondContact O-N 3.16Å |
| 381 | V | 80.4 | Confident | 69.8 | Low | 48 Ų | 48 | 54.6 Ų | 54.6 | 29% | 0.291 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | -174.8 | -165.1 | 0 | 0 | 0 | 0 | 112.9 | T344 I348 A377 L378 L383 I384 S385 | T344-V381 HydrophobicContact CG2-CG1 4.02Å; I348-V381 HydrophobicContact CD1-CB 3.74Å; I348-V381 HydrophobicContact CD1-CG1 3.3Å; A377-V381 VanDerWaalsContact O-CG2 3.22Å; A377-V381 WeakPolarHBondContact O-CG2 3.3Å; L378-V381 PolarHBondContact O-N 3.1Å; V381-L383 VanDerWaalsContact C-N 3.31Å; V381-L383 PolarHBondContact O-N 3.11Å; V381-I384 PolarHBondContact O-N 3.07Å; V381-S385 VanDerWaalsContact O-CB 3.25Å; V381-S385 WeakPolarHBondContact O-CB 3.24Å; V381-S385 PolarHBondContact O-N 3.39Å; V381-S385 PolarHBondContact O-OG 3.17Å |
| 382 | P | 80.1 | Confident | 72.2 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 174.3 | -25.5 | 34.7 | 0 | 0 | 0 | 113.1 | L345 I348 L378 T386 | L345-P382 HydrophobicContact CD2-CB 4.26Å; I348-P382 HydrophobicContact CG2-CG 4.21Å; L378-P382 WeakPolarHBondContact O-CD 3.46Å; P382-T386 VanDerWaalsContact O-CB 3.3Å; P382-T386 WeakPolarHBondContact O-CB 3.37Å; P382-T386 PolarHBondContact O-N 3.05Å; P382-T386 PolarHBondContact O-OG1 2.91Å |
| 383 | L | 82.6 | Confident | 74.7 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -55.1 | 176.7 | 177.7 | 63.5 | 0 | 0 | 0 | 110.6 | F291 V296 L298 D303 F380 V381 S385 T386 V387 | F291-L383 HydrophobicContact CE1-CD1 3.9Å; F291-L383 HydrophobicContact CE2-CD1 4.04Å; F291-L383 HydrophobicContact CZ-CD1 3.62Å; V296-L383 HydrophobicContact CG1-CD2 4.44Å; L298-L383 HydrophobicContact CD1-CD2 4.45Å; D303-L383 HydrophobicContact CB-CD1 3.8Å; F380-L383 PolarHBondContact O-N 3.49Å; V381-L383 VanDerWaalsContact C-N 3.31Å; V381-L383 PolarHBondContact O-N 3.11Å; L383-S385 VanDerWaalsContact C-N 3.3Å; L383-S385 PolarHBondContact O-N 3.12Å; L383-T386 PolarHBondContact O-N 3.1Å; L383-V387 HydrophobicContact CD1-CG2 4.32Å; L383-V387 WeakPolarHBondContact O-CB 3.26Å; L383-V387 VanDerWaalsContact O-CG2 3.26Å; L383-V387 WeakPolarHBondContact O-CG2 3.06Å; L383-V387 PolarHBondContact O-N 2.68Å |
| 384 | I | 86.9 | Confident | 77.2 | Confident | 102 Ų | 102 | 44.2 Ų | 44.2 | 52% | 0.523 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59 | -43.7 | 179.6 | -66.1 | 168.1 | 0 | 0 | 0 | 110.4 | F380 V381 T386 V387 V388 | F380-I384 HydrophobicContact CB-CD1 4.32Å; F380-I384 WeakPolarHBondContact O-CG1 3.39Å; F380-I384 PolarHBondContact O-N 3.16Å; V381-I384 PolarHBondContact O-N 3.07Å; I384-T386 PolarHBondContact O-N 3.35Å; I384-V387 PolarHBondContact O-N 3.44Å; I384-V388 HydrophobicContact CG2-CG2 4.28Å; I384-V388 WeakPolarHBondContact O-CB 3.46Å; I384-V388 VanDerWaalsContact O-CG2 3.25Å; I384-V388 WeakPolarHBondContact O-CG2 3.17Å; I384-V388 PolarHBondContact O-N 3.24Å |
| 385 | S | 88.9 | Confident | 79.5 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | S341 T344 V381 L383 V388 F389 | S341-S385 VanDerWaalsContact CB-O 3.3Å; S341-S385 WeakPolarHBondContact CB-O 3.14Å; T344-S385 WeakPolarHBondContact CG2-OG 3.27Å; V381-S385 VanDerWaalsContact O-CB 3.25Å; V381-S385 WeakPolarHBondContact O-CB 3.24Å; V381-S385 PolarHBondContact O-N 3.39Å; V381-S385 PolarHBondContact O-OG 3.17Å; L383-S385 VanDerWaalsContact C-N 3.3Å; L383-S385 PolarHBondContact O-N 3.12Å; S385-V388 PolarHBondContact O-N 3.44Å; S385-F389 WeakPolarHBondContact O-CB 3.34Å; S385-F389 PolarHBondContact O-N 2.92Å |
| 386 | T | 88.4 | Confident | 81.4 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.3 | -57 | 0 | 0 | 0 | 0 | 111.6 | I283 L287 F291 P382 L383 I384 F389 I390 | I283-T386 HydrophobicContact CG2-CG2 4.14Å; L287-T386 HydrophobicContact CD1-CG2 3.99Å; F291-T386 HydrophobicContact CE1-CG2 4.03Å; F291-T386 HydrophobicContact CZ-CG2 3.81Å; P382-T386 VanDerWaalsContact O-CB 3.3Å; P382-T386 WeakPolarHBondContact O-CB 3.37Å; P382-T386 PolarHBondContact O-N 3.05Å; P382-T386 PolarHBondContact O-OG1 2.91Å; L383-T386 PolarHBondContact O-N 3.1Å; I384-T386 PolarHBondContact O-N 3.35Å; T386-F389 WeakPolarHBondContact O-CB 3.24Å; T386-F389 PolarHBondContact O-N 3.49Å; T386-I390 HydrophobicContact CG2-CD1 3.94Å; T386-I390 WeakPolarHBondContact O-CG1 3.33Å; T386-I390 PolarHBondContact O-N 3.01Å |
| 387 | V | 89.6 | Confident | 83.3 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 15% | 0.152 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | V307 V310 L383 I384 F389 I390 F391 | V307-V387 HydrophobicContact CG2-CG2 3.7Å; V310-V387 HydrophobicContact CB-CG1 4.06Å; V310-V387 HydrophobicContact CG1-CG1 3.68Å; V310-V387 HydrophobicContact CG2-CG1 3.95Å; L383-V387 HydrophobicContact CD1-CG2 4.32Å; L383-V387 WeakPolarHBondContact O-CB 3.26Å; L383-V387 VanDerWaalsContact O-CG2 3.26Å; L383-V387 WeakPolarHBondContact O-CG2 3.06Å; L383-V387 PolarHBondContact O-N 2.68Å; I384-V387 PolarHBondContact O-N 3.44Å; V387-F389 VanDerWaalsContact C-N 3.34Å; V387-F389 PolarHBondContact O-N 3.18Å; V387-I390 PolarHBondContact O-N 2.91Å; V387-F391 WeakPolarHBondContact O-CB 3.48Å; V387-F391 PolarHBondContact O-N 2.93Å |
| 388 | V | 92.3 | Very high | 84.9 | Confident | 53 Ų | 53 | 26.3 Ų | 26.3 | 32% | 0.321 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L337 I384 S385 F391 G392 | L337-V388 HydrophobicContact CD2-CG1 4.31Å; I384-V388 HydrophobicContact CG2-CG2 4.28Å; I384-V388 WeakPolarHBondContact O-CB 3.46Å; I384-V388 VanDerWaalsContact O-CG2 3.25Å; I384-V388 WeakPolarHBondContact O-CG2 3.17Å; I384-V388 PolarHBondContact O-N 3.24Å; S385-V388 PolarHBondContact O-N 3.44Å; V388-F391 PolarHBondContact O-N 3.48Å; V388-G392 PolarHBondContact O-N 3.33Å |
| 389 | F | 92.6 | Very high | 86 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.6 | -50.7 | 174.7 | -179.4 | -89.5 | 0 | 0 | 0 | 111.4 | T278 I280 I283 M338 S341 S385 T386 V387 F391 G392 Y393 | T278-F389 WeakPolarHBondContact O-CZ 3.06Å; I280-F389 HydrophobicContact CB-CE1 4.5Å; I280-F389 HydrophobicContact CD1-CD1 4.4Å; I280-F389 HydrophobicContact CD1-CE1 3.96Å; I283-F389 HydrophobicContact CD1-CD1 3.83Å; I283-F389 HydrophobicContact CD1-CE1 3.45Å; I283-F389 VanDerWaalsContact CD1-CE1 3.45Å; I283-F389 HydrophobicContact CD1-CZ 3.91Å; M338-F389 HydrophobicContact CB-CD2 4.12Å; M338-F389 HydrophobicContact CB-CE2 4.04Å; M338-F389 HydrophobicContact CE-CE1 4.39Å; M338-F389 HydrophobicContact CE-CE2 3.83Å; M338-F389 HydrophobicContact CE-CZ 3.65Å; M338-F389 HydrophobicContact CG-CD2 4.3Å; M338-F389 HydrophobicContact CG-CE2 4.27Å; S341-F389 VanDerWaalsContact OG-CA 3.23Å; S341-F389 WeakPolarHBondContact OG-CA 3.17Å; S341-F389 WeakPolarHBondContact OG-CB 3.41Å; S341-F389 PolarHBondContact OG-N 2.9Å; S385-F389 WeakPolarHBondContact O-CB 3.34Å; S385-F389 PolarHBondContact O-N 2.92Å; T386-F389 WeakPolarHBondContact O-CB 3.24Å; T386-F389 PolarHBondContact O-N 3.49Å; V387-F389 VanDerWaalsContact C-N 3.34Å; V387-F389 PolarHBondContact O-N 3.18Å; F389-F391 VanDerWaalsContact C-N 3.34Å; F389-F391 PolarHBondContact O-N 2.94Å; F389-G392 PolarHBondContact O-N 3.2Å; F389-Y393 PolarHBondContact O-N 3.46Å |
| 390 | I | 91.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | -179.6 | -68.4 | 170.6 | 0 | 0 | 0 | 110.8 | I280 I283 L284 L287 V307 R311 T386 V387 Y393 A394 | I280-I390 HydrophobicContact CD1-CG1 4.2Å; I283-I390 HydrophobicContact CG2-CD1 4.11Å; I283-I390 HydrophobicContact CG2-CG1 4.39Å; L284-I390 HydrophobicContact CD2-CD1 4.19Å; L287-I390 HydrophobicContact CD1-CD1 4.23Å; V307-I390 HydrophobicContact CG1-CD1 3.22Å; V307-I390 HydrophobicContact CG1-CG1 4.43Å; V307-I390 HydrophobicContact CG1-CG2 4.23Å; R311-I390 HydrophobicContact CB-CG2 3.83Å; R311-I390 HydrophobicContact CG-CG2 3.78Å; T386-I390 HydrophobicContact CG2-CD1 3.94Å; T386-I390 WeakPolarHBondContact O-CG1 3.33Å; T386-I390 PolarHBondContact O-N 3.01Å; V387-I390 PolarHBondContact O-N 2.91Å; I390-Y393 PolarHBondContact O-N 3.27Å; I390-A394 VanDerWaalsContact O-CB 3.23Å; I390-A394 WeakPolarHBondContact O-CB 3.34Å; I390-A394 PolarHBondContact O-N 3.37Å |
| 391 | F | 91.8 | Very high | 87.4 | Confident | 57 Ų | 57 | 18.1 Ų | 18.1 | 25% | 0.25 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.5 | -49.7 | 173.3 | 176.2 | -93.5 | 0 | 0 | 0 | 111.1 | V310 S314 L337 V387 V388 F389 Y393 A394 M395 | V310-F391 HydrophobicContact CG1-CB 4.23Å; V310-F391 HydrophobicContact CG1-CD2 4.05Å; S314-F391 VanDerWaalsContact CB-CD2 3.49Å; S314-F391 PolarHBondContact OG-O 3.03Å; L337-F391 HydrophobicContact CD1-CD1 4.33Å; L337-F391 HydrophobicContact CD1-CE1 4.29Å; V387-F391 WeakPolarHBondContact O-CB 3.48Å; V387-F391 PolarHBondContact O-N 2.93Å; V388-F391 PolarHBondContact O-N 3.48Å; F389-F391 VanDerWaalsContact C-N 3.34Å; F389-F391 PolarHBondContact O-N 2.94Å; F391-Y393 PolarHBondContact O-N 3.06Å; F391-A394 PolarHBondContact O-N 3.39Å; F391-M395 HydrophobicContact CD1-CE 4.16Å; F391-M395 HydrophobicContact CE1-CE 3.18Å; F391-M395 HydrophobicContact CE2-CE 4.1Å; F391-M395 HydrophobicContact CZ-CE 3.13Å; F391-M395 WeakPolarHBondContact O-CB 3.43Å; F391-M395 PolarHBondContact O-N 2.93Å |
| 392 | G | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.6 | -50.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S334 V388 F389 A394 M395 | S334-G392 VanDerWaalsContact CB-O 3.28Å; S334-G392 WeakPolarHBondContact CB-O 3.27Å; S334-G392 PolarHBondContact OG-O 3.22Å; V388-G392 PolarHBondContact O-N 3.33Å; F389-G392 PolarHBondContact O-N 3.2Å; G392-A394 PolarHBondContact O-N 2.94Å; G392-M395 PolarHBondContact O-N 2.86Å |
| 393 | Y | 91.8 | Very high | 87.2 | Confident | 15 Ų | 15 | 20.3 Ų | 20.3 | 6% | 0.059 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 176.9 | 177.6 | -89.2 | 0 | 0 | 0 | 112.8 | Q275 I280 M338 F389 I390 F391 M395 G396 W397 G398 | Q275-Y393 HydrophobicContact CG-CE2 3.9Å; Q275-Y393 PolarHBondContact NE2-OH 3.47Å; I280-Y393 HydrophobicContact CB-CD2 3.95Å; I280-Y393 HydrophobicContact CB-CE1 4.45Å; I280-Y393 HydrophobicContact CB-CE2 3.87Å; I280-Y393 HydrophobicContact CB-CG 4.26Å; I280-Y393 HydrophobicContact CD1-CD1 3.84Å; I280-Y393 HydrophobicContact CD1-CD2 4.37Å; I280-Y393 HydrophobicContact CD1-CE1 4.4Å; I280-Y393 HydrophobicContact CD1-CG 3.82Å; I280-Y393 HydrophobicContact CG1-CD1 3.65Å; I280-Y393 HydrophobicContact CG1-CD2 3.97Å; I280-Y393 HydrophobicContact CG1-CE1 3.71Å; I280-Y393 HydrophobicContact CG1-CE2 4.01Å; I280-Y393 HydrophobicContact CG1-CG 3.78Å; I280-Y393 HydrophobicContact CG2-CD2 4.18Å; I280-Y393 HydrophobicContact CG2-CE1 4.36Å; I280-Y393 HydrophobicContact CG2-CE2 3.57Å; M338-Y393 HydrophobicContact CE-CD2 3.91Å; M338-Y393 VanDerWaalsContact SD-CA 3.58Å; M338-Y393 HydrophobicContact SD-CD2 4.07Å; M338-Y393 HydrophobicContact SD-CG 4.45Å; F389-Y393 PolarHBondContact O-N 3.46Å; I390-Y393 PolarHBondContact O-N 3.27Å; F391-Y393 PolarHBondContact O-N 3.06Å; Y393-M395 PolarHBondContact O-N 3.24Å; Y393-G396 PolarHBondContact O-N 3.12Å; Y393-W397 HydrophobicContact CD2-CB 3.71Å; Y393-W397 HydrophobicContact CE2-CB 3.86Å; Y393-W397 HydrophobicContact CG-CB 4.48Å; Y393-W397 PolarHBondContact O-N 3.41Å; Y393-G398 PolarHBondContact O-N 2.96Å |
| 394 | A | 88.9 | Confident | 87 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65 | -26 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | R311 S314 V315 I390 F391 G392 P399 | R311-A394 HydrophobicContact CG-CB 4.05Å; S314-A394 WeakPolarHBondContact OG-CB 3.47Å; V315-A394 HydrophobicContact CG2-CB 3.88Å; I390-A394 VanDerWaalsContact O-CB 3.23Å; I390-A394 WeakPolarHBondContact O-CB 3.34Å; I390-A394 PolarHBondContact O-N 3.37Å; F391-A394 PolarHBondContact O-N 3.39Å; G392-A394 PolarHBondContact O-N 2.94Å; A394-P399 WeakPolarHBondContact O-CD 3.48Å |
| 395 | M | 88.5 | Confident | 86.6 | Confident | 18 Ų | 18 | 15.1 Ų | 15.1 | 9% | 0.089 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -72.1 | -31.6 | 177.8 | -172.5 | 177.7 | -71.9 | 0 | 0 | 113.5 | S314 V317 A318 L330 F391 G392 Y393 | S314-M395 PolarHBondContact OG-N 2.98Å; V317-M395 HydrophobicContact CG1-CE 4.29Å; A318-M395 VanDerWaalsContact CB-O 3.31Å; A318-M395 WeakPolarHBondContact CB-O 3.36Å; L330-M395 HydrophobicContact CD2-CG 4.03Å; L330-M395 HydrophobicContact CD2-SD 4.33Å; F391-M395 HydrophobicContact CD1-CE 4.16Å; F391-M395 HydrophobicContact CE1-CE 3.18Å; F391-M395 HydrophobicContact CE2-CE 4.1Å; F391-M395 HydrophobicContact CZ-CE 3.13Å; F391-M395 WeakPolarHBondContact O-CB 3.43Å; F391-M395 PolarHBondContact O-N 2.93Å; G392-M395 PolarHBondContact O-N 2.86Å; Y393-M395 PolarHBondContact O-N 3.24Å |
| 396 | G | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | -75.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S334 Y393 G398 P399 I400 | S334-G396 WeakPolarHBondContact OG-CA 3.37Å; S334-G396 PolarHBondContact OG-N 2.77Å; Y393-G396 PolarHBondContact O-N 3.12Å; G396-G398 PolarHBondContact O-N 3.31Å; G396-G398 VanDerWaalsContact O-N 3.08Å; G396-P399 WeakPolarHBondContact O-CD 3.41Å; G396-I400 VanDerWaalsContact O-CB 3.24Å; G396-I400 WeakPolarHBondContact O-CB 3.46Å; G396-I400 WeakPolarHBondContact O-CG1 3.34Å; G396-I400 PolarHBondContact O-N 3.36Å |
| 397 | W | 87.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30 | -173.3 | -82.1 | 92.5 | 0 | 0 | 0 | 114.5 | M271 L274 Q275 L331 S334 S335 M338 Y393 T401 C459 N463 | M271-W397 HydrophobicContact CG-CZ3 4.32Å; L274-W397 HydrophobicContact CB-CH2 4.19Å; L274-W397 HydrophobicContact CB-CZ3 4.08Å; Q275-W397 HydrophobicContact CB-CE3 3.96Å; Q275-W397 HydrophobicContact CB-CZ3 4.31Å; Q275-W397 HydrophobicContact CG-CE3 4.39Å; Q275-W397 PolarHBondContact NE2-O 3.02Å; L331-W397 HydrophobicContact CD2-CD2 4.42Å; L331-W397 HydrophobicContact CD2-CG 4.36Å; S334-W397 PolarHBondContact OG-N 2.86Å; S335-W397 PolarHBondContact OG-NE1 3.22Å; M338-W397 HydrophobicContact SD-CB 4.3Å; M338-W397 HydrophobicContact SD-CG 4.16Å; Y393-W397 HydrophobicContact CD2-CB 3.71Å; Y393-W397 HydrophobicContact CE2-CB 3.86Å; Y393-W397 HydrophobicContact CG-CB 4.48Å; Y393-W397 PolarHBondContact O-N 3.41Å; W397-T401 HydrophobicContact CD2-CG2 4.45Å; W397-T401 HydrophobicContact CE3-CG2 3.73Å; W397-T401 HydrophobicContact CZ3-CG2 4.3Å; W397-T401 WeakPolarHBondContact O-CB 3.42Å; W397-T401 WeakPolarHBondContact O-CG2 3.4Å; W397-T401 PolarHBondContact O-OG1 3.4Å; W397-C459 HydrophobicContact CH2-CB 3.8Å; W397-C459 HydrophobicContact CZ2-CB 3.31Å; W397-N463 WeakPolarHBondContact CZ2-ND2 3.5Å; W397-N463 WeakPolarHBondContact CZ2-OD1 3.28Å |
| 398 | G | 85.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -77.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y393 G396 T401 W402 | Y393-G398 PolarHBondContact O-N 2.96Å; G396-G398 PolarHBondContact O-N 3.31Å; G396-G398 VanDerWaalsContact O-N 3.08Å; G398-T401 PolarHBondContact O-OG1 3.1Å; G398-W402 VanDerWaalsContact O-CD1 3.26Å |
| 399 | P | 80.9 | Confident | 83.7 | Confident | 17 Ų | 17 | 16.1 Ų | 16.1 | 11% | 0.11 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72.4 | -36.4 | -172.5 | 26 | -33.4 | 0 | 0 | 0 | 114.2 | Q164 A318 M322 A394 G396 L403 | Q164-P399 HydrophobicContact CG-CB 4.3Å; A318-P399 HydrophobicContact CB-CG 4.13Å; M322-P399 HydrophobicContact CE-CB 4.1Å; M322-P399 HydrophobicContact CE-CG 4.34Å; A394-P399 WeakPolarHBondContact O-CD 3.48Å; G396-P399 WeakPolarHBondContact O-CD 3.41Å; P399-L403 PolarHBondContact O-N 2.8Å |
| 400 | I | 83 | Confident | 82.6 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -72.9 | -34.6 | -170.3 | -60.1 | 176.4 | 0 | 0 | 0 | 111.4 | M322 R327 L330 L331 G396 W402 L403 L404 | M322-I400 HydrophobicContact CE-CG1 3.76Å; R327-I400 HydrophobicContact CB-CG2 4.02Å; R327-I400 HydrophobicContact CG-CG2 4.29Å; L330-I400 HydrophobicContact CB-CD1 3.4Å; L330-I400 HydrophobicContact CD1-CD1 4.12Å; L330-I400 HydrophobicContact CG-CD1 4.42Å; L331-I400 HydrophobicContact CD1-CG2 3.67Å; L331-I400 HydrophobicContact CD2-CB 3.99Å; L331-I400 HydrophobicContact CD2-CD1 4.43Å; L331-I400 HydrophobicContact CD2-CG2 4.06Å; L331-I400 HydrophobicContact CG-CB 4.14Å; L331-I400 HydrophobicContact CG-CD1 4.09Å; L331-I400 HydrophobicContact CG-CG2 3.75Å; G396-I400 VanDerWaalsContact O-CB 3.24Å; G396-I400 WeakPolarHBondContact O-CB 3.46Å; G396-I400 WeakPolarHBondContact O-CG1 3.34Å; G396-I400 PolarHBondContact O-N 3.36Å; I400-W402 PolarHBondContact O-N 3.37Å; I400-L403 PolarHBondContact O-N 3.3Å; I400-L404 HydrophobicContact CG2-CD1 3.71Å; I400-L404 HydrophobicContact CG2-CG 3.82Å; I400-L404 WeakPolarHBondContact O-CB 3.41Å; I400-L404 WeakPolarHBondContact O-CG 3.4Å; I400-L404 PolarHBondContact O-N 2.81Å |
| 401 | T | 85.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 179.8 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | M271 Q275 W397 G398 M405 | M271-T401 HydrophobicContact CE-CG2 4.47Å; M271-T401 WeakPolarHBondContact CE-O 3.5Å; M271-T401 HydrophobicContact CG-CG2 3.77Å; M271-T401 HydrophobicContact SD-CG2 3.88Å; Q275-T401 HydrophobicContact CG-CG2 4.48Å; Q275-T401 PolarHBondContact NE2-OG1 3Å; Q275-T401 PolarHBondContact OE1-OG1 2.86Å; W397-T401 HydrophobicContact CD2-CG2 4.45Å; W397-T401 HydrophobicContact CE3-CG2 3.73Å; W397-T401 HydrophobicContact CZ3-CG2 4.3Å; W397-T401 WeakPolarHBondContact O-CB 3.42Å; W397-T401 WeakPolarHBondContact O-CG2 3.4Å; W397-T401 PolarHBondContact O-OG1 3.4Å; G398-T401 PolarHBondContact O-OG1 3.1Å; T401-M405 WeakPolarHBondContact O-CB 3.43Å; T401-M405 PolarHBondContact O-N 3.4Å |
| 402 | W | 79 | Confident | 80.2 | Confident | 63 Ų | 63 | 19.9 Ų | 19.9 | 24% | 0.239 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 172.6 | -76.2 | 109.5 | 0 | 0 | 0 | 111.9 | R272 G398 I400 M405 S406 V422 | R272-W402 VanDerWaalsContact NH1-CD2 3.27Å; G398-W402 VanDerWaalsContact O-CD1 3.26Å; I400-W402 PolarHBondContact O-N 3.37Å; W402-M405 HydrophobicContact CE3-SD 4.36Å; W402-S406 PolarHBondContact O-N 2.95Å; W402-V422 HydrophobicContact CH2-CG2 4.29Å; W402-V422 HydrophobicContact CZ3-CG2 4.08Å |
| 403 | L | 76.8 | Confident | 79 | Confident | 44 Ų | 44 | 20.2 Ų | 20.2 | 23% | 0.23 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.3 | -51.5 | 178.9 | -179.4 | 134.8 | 0 | 0 | 0 | 111.5 | M322 R327 P399 I400 M405 S406 E407 | M322-L403 HydrophobicContact SD-CD1 3.87Å; R327-L403 HydrophobicContact CG-CD2 4.17Å; P399-L403 PolarHBondContact O-N 2.8Å; I400-L403 PolarHBondContact O-N 3.3Å; L403-M405 VanDerWaalsContact C-N 3.28Å; L403-M405 PolarHBondContact O-N 3.47Å; L403-S406 WeakPolarHBondContact O-CA 3.31Å; L403-S406 WeakPolarHBondContact O-CB 3.43Å; L403-S406 PolarHBondContact O-N 3.46Å; L403-S406 PolarHBondContact O-OG 3.19Å; L403-E407 VanDerWaalsContact CD2-CD 3.44Å; L403-E407 HydrophobicContact CD2-CG 4.36Å; L403-E407 VanDerWaalsContact CD2-OE1 3.3Å; L403-E407 WeakPolarHBondContact CD2-OE1 3.22Å; L403-E407 WeakPolarHBondContact CD2-OE2 3.24Å; L403-E407 PolarHBondContact O-N 3.48Å |
| 404 | L | 77.6 | Confident | 78 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.8 | -39 | 178.5 | -76.6 | 179.4 | 0 | 0 | 0 | 111.9 | M271 L331 I400 S406 E407 V408 I467 T470 | M271-L404 HydrophobicContact CE-CB 3.91Å; M271-L404 HydrophobicContact SD-CB 4.13Å; M271-L404 HydrophobicContact SD-CD1 3.98Å; L331-L404 HydrophobicContact CD1-CD1 3.58Å; I400-L404 HydrophobicContact CG2-CD1 3.71Å; I400-L404 HydrophobicContact CG2-CG 3.82Å; I400-L404 WeakPolarHBondContact O-CB 3.41Å; I400-L404 WeakPolarHBondContact O-CG 3.4Å; I400-L404 PolarHBondContact O-N 2.81Å; L404-S406 PolarHBondContact O-N 2.54Å; L404-E407 PolarHBondContact O-N 2.93Å; L404-E407 VanDerWaalsContact O-N 3.1Å; L404-V408 VanDerWaalsContact O-CB 3.25Å; L404-V408 WeakPolarHBondContact O-CB 3.48Å; L404-V408 VanDerWaalsContact O-CG2 3.28Å; L404-V408 WeakPolarHBondContact O-CG2 3.2Å; L404-V408 PolarHBondContact O-N 3.48Å; L404-I467 HydrophobicContact CD1-CD1 4.38Å; L404-I467 HydrophobicContact CD1-CG2 3.93Å; L404-T470 HydrophobicContact CD2-CG2 3.54Å |
| 405 | M | 78.5 | Confident | 77 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.7 | -38.6 | 173.2 | 176.5 | -173 | 162.9 | 0 | 0 | 111.6 | M271 R272 T401 W402 L403 L409 S418 C421 V422 | M271-M405 HydrophobicContact CE-CB 4.26Å; R272-M405 HydrophobicContact CG-SD 4.22Å; T401-M405 WeakPolarHBondContact O-CB 3.43Å; T401-M405 PolarHBondContact O-N 3.4Å; W402-M405 HydrophobicContact CE3-SD 4.36Å; L403-M405 VanDerWaalsContact C-N 3.28Å; L403-M405 PolarHBondContact O-N 3.47Å; M405-L409 HydrophobicContact CE-CD1 4.39Å; M405-L409 HydrophobicContact CG-CD1 3.97Å; M405-L409 VanDerWaalsContact O-CB 3.3Å; M405-L409 WeakPolarHBondContact O-CB 3.33Å; M405-L409 VanDerWaalsContact O-CD1 3.27Å; M405-L409 WeakPolarHBondContact O-CD1 3.17Å; M405-L409 WeakPolarHBondContact O-CG 3.44Å; M405-L409 PolarHBondContact O-N 2.91Å; M405-S418 VanDerWaalsContact CE-O 3.23Å; M405-S418 WeakPolarHBondContact CE-O 3.5Å; M405-S418 WeakPolarHBondContact CE-OG 3.42Å; M405-C421 HydrophobicContact CE-CB 3.42Å; M405-C421 VanDerWaalsContact CE-CB 3.42Å; M405-C421 HydrophobicContact CG-CB 4.44Å; M405-C421 HydrophobicContact SD-CB 3.84Å; M405-V422 HydrophobicContact CE-CG2 4.18Å |
| 406 | S | 71.3 | Confident | 76.3 | Confident | 59 Ų | 59 | 27.3 Ų | 27.3 | 41% | 0.413 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -77.8 | -22.4 | 177 | 77.8 | 0 | 0 | 0 | 0 | 114.6 | W402 L403 L404 R414 | W402-S406 PolarHBondContact O-N 2.95Å; L403-S406 WeakPolarHBondContact O-CA 3.31Å; L403-S406 WeakPolarHBondContact O-CB 3.43Å; L403-S406 PolarHBondContact O-N 3.46Å; L403-S406 PolarHBondContact O-OG 3.19Å; L404-S406 PolarHBondContact O-N 2.54Å; S406-R414 PolarHBondContact O-NH2 2.92Å; S406-R414 VanDerWaalsContact O-NH2 3.17Å |
| 407 | E | 74.8 | Confident | 75.9 | Confident | 39 Ų | 39 | 27.5 Ų | 27.5 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -90.1 | -39.4 | -179 | -69.6 | -178.3 | 169.1 | 0 | 0 | 112.9 | L403 L404 T470 L475 I478 | L403-E407 VanDerWaalsContact CD2-CD 3.44Å; L403-E407 HydrophobicContact CD2-CG 4.36Å; L403-E407 VanDerWaalsContact CD2-OE1 3.3Å; L403-E407 WeakPolarHBondContact CD2-OE1 3.22Å; L403-E407 WeakPolarHBondContact CD2-OE2 3.24Å; L403-E407 PolarHBondContact O-N 3.48Å; L404-E407 PolarHBondContact O-N 2.93Å; L404-E407 VanDerWaalsContact O-N 3.1Å; E407-T470 VanDerWaalsContact OE2-CB 3.26Å; E407-T470 WeakPolarHBondContact OE2-CB 3.41Å; E407-T470 PolarHBondContact OE2-OG1 3.49Å; E407-L475 HydrophobicContact CB-CD2 4.18Å; E407-L475 HydrophobicContact CG-CD2 4.23Å; E407-I478 HydrophobicContact CB-CD1 4.43Å |
| 408 | V | 76.6 | Confident | 75.4 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -81.6 | -30.6 | -175.6 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | P264 L404 F482 | P264-V408 HydrophobicContact CB-CG1 3.73Å; P264-V408 WeakPolarHBondContact CB-O 3.34Å; L404-V408 VanDerWaalsContact O-CB 3.25Å; L404-V408 WeakPolarHBondContact O-CB 3.48Å; L404-V408 VanDerWaalsContact O-CG2 3.28Å; L404-V408 WeakPolarHBondContact O-CG2 3.2Å; L404-V408 PolarHBondContact O-N 3.48Å; V408-F482 HydrophobicContact CB-CE2 4.46Å; V408-F482 HydrophobicContact CG1-CE2 3.73Å; V408-F482 HydrophobicContact CG1-CZ 3.8Å; V408-F482 HydrophobicContact CG2-CE2 4.4Å |
| 409 | L | 76.7 | Confident | 75.1 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -69.5 | 129.3 | -178 | -74.9 | 178.4 | 0 | 0 | 0 | 111.8 | I265 M405 L411 R414 A417 | I265-L409 HydrophobicContact CB-CD2 4.47Å; I265-L409 HydrophobicContact CG1-CD2 3.89Å; M405-L409 HydrophobicContact CE-CD1 4.39Å; M405-L409 HydrophobicContact CG-CD1 3.97Å; M405-L409 VanDerWaalsContact O-CB 3.3Å; M405-L409 WeakPolarHBondContact O-CB 3.33Å; M405-L409 VanDerWaalsContact O-CD1 3.27Å; M405-L409 WeakPolarHBondContact O-CD1 3.17Å; M405-L409 WeakPolarHBondContact O-CG 3.44Å; M405-L409 PolarHBondContact O-N 2.91Å; L409-L411 PolarHBondContact O-N 3.38Å; L409-R414 HydrophobicContact CB-CG 4.3Å; L409-R414 PolarHBondContact O-NE 3.05Å; L409-R414 PolarHBondContact O-NH2 3.13Å; L409-R414 VanDerWaalsContact O-NH2 3.08Å; L409-A417 HydrophobicContact CD1-CB 4.07Å; L409-A417 HydrophobicContact CD2-CB 3.57Å; L409-A417 HydrophobicContact CG-CB 4.41Å |
| 410 | P | 68.4 | Low | 75.2 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | trans | -60.4 | 136.9 | 179.7 | 25.5 | -34 | 0 | 0 | 0 | 109.8 | Y261 V412 A413 R414 | Y261-P410 HydrophobicContact CD1-CB 3.7Å; Y261-P410 HydrophobicContact CD1-CG 3.87Å; Y261-P410 HydrophobicContact CE1-CB 4.1Å; P410-V412 PolarHBondContact O-N 3.43Å; P410-A413 HydrophobicContact CG-CB 4.14Å; P410-A413 PolarHBondContact O-N 2.99Å; P410-R414 WeakPolarHBondContact O-CB 2.99Å; P410-R414 PolarHBondContact O-N 3.41Å | ||
| 411 | L | 66 | Low | 75.3 | Confident | 71 Ų | 71 | 32.6 Ų | 32.6 | 37% | 0.372 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -33.4 | -172.3 | -76.9 | 165.3 | 0 | 0 | 0 | 112.8 | L409 R414 | L409-L411 PolarHBondContact O-N 3.38Å; L411-R414 VanDerWaalsContact CD2-CZ 3.46Å |
| 412 | V | 66.6 | Low | 75.2 | Confident | 61 Ų | 61 | 32.9 Ų | 32.9 | 37% | 0.37 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -34.3 | -173.1 | -159.9 | 0 | 0 | 0 | 0 | 113.4 | V249 I251 P410 | V249-V412 WeakPolarHBondContact O-CG1 3.28Å; I251-V412 HydrophobicContact CB-CB 4.39Å; I251-V412 HydrophobicContact CB-CG1 3.49Å; I251-V412 VanDerWaalsContact CB-CG1 3.49Å; I251-V412 HydrophobicContact CD1-CB 3.84Å; I251-V412 HydrophobicContact CD1-CG1 3.68Å; I251-V412 HydrophobicContact CD1-CG2 3.87Å; I251-V412 HydrophobicContact CG1-CB 4.33Å; I251-V412 HydrophobicContact CG1-CG1 3.6Å; P410-V412 PolarHBondContact O-N 3.43Å |
| 413 | A | 67.3 | Low | 75.6 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 5% | 0.05 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L256 I265 P410 G415 V416 A417 | L256-A413 HydrophobicContact CD1-CB 3.92Å; L256-A413 HydrophobicContact CD2-CB 3.85Å; L256-A413 HydrophobicContact CG-CB 3.84Å; I265-A413 HydrophobicContact CD1-CB 4.43Å; P410-A413 HydrophobicContact CG-CB 4.14Å; P410-A413 PolarHBondContact O-N 2.99Å; A413-G415 VanDerWaalsContact C-N 3.28Å; A413-G415 PolarHBondContact O-N 3.35Å; A413-V416 PolarHBondContact O-N 2.95Å; A413-A417 VanDerWaalsContact O-CB 3.27Å; A413-A417 WeakPolarHBondContact O-CB 3.28Å; A413-A417 PolarHBondContact O-N 3.34Å |
| 414 | R | 71 | Confident | 76.3 | Confident | 62 Ų | 62 | 31 Ų | 31 | 23% | 0.234 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.6 | -39.4 | -171 | -173.1 | 173.2 | -67.6 | -176.3 | -3.9 | 113.2 | S406 L409 P410 L411 S418 | S406-R414 PolarHBondContact O-NH2 2.92Å; S406-R414 VanDerWaalsContact O-NH2 3.17Å; L409-R414 HydrophobicContact CB-CG 4.3Å; L409-R414 PolarHBondContact O-NE 3.05Å; L409-R414 PolarHBondContact O-NH2 3.13Å; L409-R414 VanDerWaalsContact O-NH2 3.08Å; P410-R414 WeakPolarHBondContact O-CB 2.99Å; P410-R414 PolarHBondContact O-N 3.41Å; L411-R414 VanDerWaalsContact CD2-CZ 3.46Å; R414-S418 WeakPolarHBondContact O-CA 3.35Å; R414-S418 WeakPolarHBondContact O-CB 3.45Å; R414-S418 PolarHBondContact O-N 2.93Å |
| 415 | G | 68.4 | Low | 77 | Confident | 42 Ų | 42 | 30.9 Ų | 30.9 | 43% | 0.433 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.4 | -60.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M90 A413 S418 G419 | M90-G415 WeakPolarHBondContact CE-O 3.49Å; A413-G415 VanDerWaalsContact C-N 3.28Å; A413-G415 PolarHBondContact O-N 3.35Å; G415-S418 PolarHBondContact O-N 3.04Å; G415-G419 PolarHBondContact O-N 3.4Å; G415-G419 VanDerWaalsContact O-N 3.14Å |
| 416 | V | 72.9 | Confident | 77.7 | Confident | 80 Ų | 80 | 30.9 Ų | 30.9 | 49% | 0.485 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -48.1 | -178.3 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | L253 A413 S418 G419 L420 | L253-V416 HydrophobicContact CD2-CG1 4.44Å; A413-V416 PolarHBondContact O-N 2.95Å; V416-S418 VanDerWaalsContact C-N 3.32Å; V416-S418 PolarHBondContact O-N 3.29Å; V416-G419 PolarHBondContact O-N 3.46Å; V416-L420 PolarHBondContact O-N 2.91Å; V416-L420 VanDerWaalsContact O-N 3.08Å |
| 417 | A | 79.1 | Confident | 78.8 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -34.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I265 L409 A413 G419 L420 C421 | I265-A417 HydrophobicContact CD1-CB 4.01Å; I265-A417 HydrophobicContact CG1-CB 3.81Å; I265-A417 HydrophobicContact CG2-CB 4.26Å; L409-A417 HydrophobicContact CD1-CB 4.07Å; L409-A417 HydrophobicContact CD2-CB 3.57Å; L409-A417 HydrophobicContact CG-CB 4.41Å; A413-A417 VanDerWaalsContact O-CB 3.27Å; A413-A417 WeakPolarHBondContact O-CB 3.28Å; A413-A417 PolarHBondContact O-N 3.34Å; A417-G419 VanDerWaalsContact C-N 3.32Å; A417-L420 PolarHBondContact O-N 2.61Å; A417-C421 WeakPolarHBondContact O-CB 3.42Å; A417-C421 PolarHBondContact O-N 3.38Å; A417-C421 VanDerWaalsContact O-N 3.08Å; A417-C421 PolarHBondContact O-SG 3.47Å |
| 418 | S | 76.9 | Confident | 79.7 | Confident | 39 Ų | 39 | 29.9 Ų | 29.9 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | M405 R414 G415 V416 L420 C421 V422 | M405-S418 VanDerWaalsContact CE-O 3.23Å; M405-S418 WeakPolarHBondContact CE-O 3.5Å; M405-S418 WeakPolarHBondContact CE-OG 3.42Å; R414-S418 WeakPolarHBondContact O-CA 3.35Å; R414-S418 WeakPolarHBondContact O-CB 3.45Å; R414-S418 PolarHBondContact O-N 2.93Å; G415-S418 PolarHBondContact O-N 3.04Å; V416-S418 VanDerWaalsContact C-N 3.32Å; V416-S418 PolarHBondContact O-N 3.29Å; S418-L420 PolarHBondContact O-N 3.15Å; S418-C421 WeakPolarHBondContact O-CB 3.24Å; S418-C421 PolarHBondContact O-N 2.73Å; S418-V422 WeakPolarHBondContact O-CG2 3.46Å; S418-V422 PolarHBondContact O-N 2.82Å |
| 419 | G | 78.9 | Confident | 80.6 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.7 | -52.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | M90 G415 V416 A417 C421 V422 T423 | M90-G419 WeakPolarHBondContact SD-CA 3.05Å; G415-G419 PolarHBondContact O-N 3.4Å; G415-G419 VanDerWaalsContact O-N 3.14Å; V416-G419 PolarHBondContact O-N 3.46Å; A417-G419 VanDerWaalsContact C-N 3.32Å; G419-C421 VanDerWaalsContact C-N 3.32Å; G419-C421 PolarHBondContact O-N 3.02Å; G419-V422 PolarHBondContact O-N 3.45Å; G419-T423 WeakPolarHBondContact O-CB 3.37Å; G419-T423 PolarHBondContact O-N 3.43Å; G419-T423 PolarHBondContact O-OG1 3.37Å |
| 420 | L | 83.5 | Confident | 81.5 | Confident | 86 Ų | 86 | 30.7 Ų | 30.7 | 45% | 0.45 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 178.3 | -179.8 | 62.7 | 0 | 0 | 0 | 110.8 | V269 V416 A417 S418 V422 T423 V424 | V269-L420 HydrophobicContact CG2-CD2 3.98Å; V269-L420 HydrophobicContact CG2-CG 4.07Å; V416-L420 PolarHBondContact O-N 2.91Å; V416-L420 VanDerWaalsContact O-N 3.08Å; A417-L420 PolarHBondContact O-N 2.61Å; S418-L420 PolarHBondContact O-N 3.15Å; L420-V422 PolarHBondContact O-N 3.07Å; L420-T423 PolarHBondContact O-N 3.01Å; L420-V424 HydrophobicContact CD1-CG2 4.1Å; L420-V424 HydrophobicContact CG-CG2 4.44Å; L420-V424 WeakPolarHBondContact O-CB 3.44Å; L420-V424 VanDerWaalsContact O-CG2 3.32Å; L420-V424 WeakPolarHBondContact O-CG2 3.35Å; L420-V424 PolarHBondContact O-N 3.42Å |
| 421 | C | 85.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.8 | -72.6 | 0 | 0 | 0 | 0 | 112.9 | V269 R272 M405 A417 S418 G419 S425 | V269-C421 VanDerWaalsContact CG2-SG 3.57Å; R272-C421 HydrophobicContact CG-CB 4.09Å; M405-C421 HydrophobicContact CE-CB 3.42Å; M405-C421 VanDerWaalsContact CE-CB 3.42Å; M405-C421 HydrophobicContact CG-CB 4.44Å; M405-C421 HydrophobicContact SD-CB 3.84Å; A417-C421 WeakPolarHBondContact O-CB 3.42Å; A417-C421 PolarHBondContact O-N 3.38Å; A417-C421 VanDerWaalsContact O-N 3.08Å; A417-C421 PolarHBondContact O-SG 3.47Å; S418-C421 WeakPolarHBondContact O-CB 3.24Å; S418-C421 PolarHBondContact O-N 2.73Å; G419-C421 VanDerWaalsContact C-N 3.32Å; G419-C421 PolarHBondContact O-N 3.02Å; C421-S425 VanDerWaalsContact O-CB 3.24Å; C421-S425 WeakPolarHBondContact O-CB 3.39Å; C421-S425 PolarHBondContact O-N 3.18Å; C421-S425 VanDerWaalsContact O-N 3.08Å |
| 422 | V | 83.9 | Confident | 84.2 | Confident | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | W402 M405 S418 G419 L420 S425 W426 | W402-V422 HydrophobicContact CH2-CG2 4.29Å; W402-V422 HydrophobicContact CZ3-CG2 4.08Å; M405-V422 HydrophobicContact CE-CG2 4.18Å; S418-V422 WeakPolarHBondContact O-CG2 3.46Å; S418-V422 PolarHBondContact O-N 2.82Å; G419-V422 PolarHBondContact O-N 3.45Å; L420-V422 PolarHBondContact O-N 3.07Å; V422-S425 WeakPolarHBondContact O-CB 3.21Å; V422-S425 PolarHBondContact O-N 2.85Å; V422-W426 VanDerWaalsContact CG1-CD1 3.49Å; V422-W426 PolarHBondContact O-N 3.16Å |
| 423 | T | 87.4 | Confident | 85.5 | Confident | 29 Ų | 29 | 29 Ų | 29 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -52 | 180 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | L87 G419 L420 S425 W426 V427 | L87-T423 HydrophobicContact CD1-CG2 4.02Å; L87-T423 WeakPolarHBondContact CD2-OG1 3.01Å; L87-T423 HydrophobicContact CG-CG2 4.47Å; L87-T423 WeakPolarHBondContact CG-OG1 3.23Å; G419-T423 WeakPolarHBondContact O-CB 3.37Å; G419-T423 PolarHBondContact O-N 3.43Å; G419-T423 PolarHBondContact O-OG1 3.37Å; L420-T423 PolarHBondContact O-N 3.01Å; T423-S425 VanDerWaalsContact C-N 3.28Å; T423-S425 PolarHBondContact O-N 3.14Å; T423-W426 PolarHBondContact O-N 2.85Å; T423-V427 HydrophobicContact CG2-CG2 4.18Å; T423-V427 WeakPolarHBondContact O-CB 3.46Å; T423-V427 WeakPolarHBondContact O-CG2 3.45Å; T423-V427 PolarHBondContact O-N 3.31Å |
| 424 | V | 91.3 | Very high | 86.7 | Confident | 38 Ų | 38 | 30.4 Ų | 30.4 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.4 | -46.6 | 177.2 | 170.8 | 0 | 0 | 0 | 0 | 110 | V269 F273 L420 W426 V427 T428 | V269-V424 HydrophobicContact CG1-CB 4.34Å; V269-V424 HydrophobicContact CG1-CG1 4.12Å; V269-V424 HydrophobicContact CG1-CG2 4.07Å; F273-V424 HydrophobicContact CB-CG1 4.09Å; F273-V424 HydrophobicContact CD2-CG1 4.31Å; L420-V424 HydrophobicContact CD1-CG2 4.1Å; L420-V424 HydrophobicContact CG-CG2 4.44Å; L420-V424 WeakPolarHBondContact O-CB 3.44Å; L420-V424 VanDerWaalsContact O-CG2 3.32Å; L420-V424 WeakPolarHBondContact O-CG2 3.35Å; L420-V424 PolarHBondContact O-N 3.42Å; V424-W426 PolarHBondContact O-N 3.38Å; V424-V427 PolarHBondContact O-N 3.32Å; V424-T428 VanDerWaalsContact O-CB 3.3Å; V424-T428 WeakPolarHBondContact O-CB 3.4Å; V424-T428 PolarHBondContact O-N 3.45Å; V424-T428 PolarHBondContact O-OG1 2.98Å |
| 425 | S | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.7 | -51.8 | 177.9 | -165.2 | 0 | 0 | 0 | 0 | 112.2 | R272 Q276 C421 V422 T423 T428 A429 | R272-S425 PolarHBondContact NH2-OG 3.45Å; Q276-S425 VanDerWaalsContact CG-O 3.3Å; Q276-S425 WeakPolarHBondContact CG-O 3.28Å; Q276-S425 WeakPolarHBondContact CG-OG 3.47Å; Q276-S425 PolarHBondContact NE2-OG 3.26Å; C421-S425 VanDerWaalsContact O-CB 3.24Å; C421-S425 WeakPolarHBondContact O-CB 3.39Å; C421-S425 PolarHBondContact O-N 3.18Å; C421-S425 VanDerWaalsContact O-N 3.08Å; V422-S425 WeakPolarHBondContact O-CB 3.21Å; V422-S425 PolarHBondContact O-N 2.85Å; T423-S425 VanDerWaalsContact C-N 3.28Å; T423-S425 PolarHBondContact O-N 3.14Å; S425-T428 PolarHBondContact O-N 3.19Å; S425-A429 WeakPolarHBondContact O-CB 3.48Å; S425-A429 PolarHBondContact O-N 3.44Å |
| 426 | W | 93.2 | Very high | 88.8 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 2% | 0.023 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.9 | -31.6 | -175.6 | -72.7 | 119.3 | 0 | 0 | 0 | 113.9 | F41 L45 Y78 S79 A82 A83 V422 T423 V424 A429 F430 | F41-W426 AromaticContact CE2-CH2 3.43Å; F41-W426 HydrophobicContact CE2-CH2 3.43Å; F41-W426 VanDerWaalsContact CE2-CH2 3.43Å; F41-W426 AromaticContact CE2-CZ2 3.31Å; F41-W426 HydrophobicContact CE2-CZ2 3.31Å; F41-W426 AromaticContact CZ-CH2 3.39Å; F41-W426 HydrophobicContact CZ-CH2 3.39Å; F41-W426 AromaticContact CZ-CZ2 3.39Å; F41-W426 HydrophobicContact CZ-CZ2 3.39Å; L45-W426 HydrophobicContact CD1-CH2 4.44Å; L45-W426 HydrophobicContact CD1-CZ3 4.2Å; Y78-W426 HydrophobicContact CE1-CH2 4.46Å; Y78-W426 HydrophobicContact CE1-CZ3 4.31Å; S79-W426 WeakPolarHBondContact CB-O 3.44Å; S79-W426 WeakPolarHBondContact O-CB 3.25Å; A82-W426 HydrophobicContact CB-CD2 3.62Å; A82-W426 HydrophobicContact CB-CE3 3.9Å; A82-W426 HydrophobicContact CB-CG 3.89Å; A82-W426 HydrophobicContact CB-CZ2 4.41Å; A82-W426 HydrophobicContact CB-CZ3 4.4Å; A83-W426 HydrophobicContact CB-CB 3.73Å; V422-W426 VanDerWaalsContact CG1-CD1 3.49Å; V422-W426 PolarHBondContact O-N 3.16Å; T423-W426 PolarHBondContact O-N 2.85Å; V424-W426 PolarHBondContact O-N 3.38Å; W426-A429 HydrophobicContact CE3-CB 4.1Å; W426-A429 PolarHBondContact O-N 2.83Å; W426-F430 PolarHBondContact O-N 3.43Å |
| 427 | V | 94.6 | Very high | 89.3 | Confident | 60 Ų | 60 | 24.2 Ų | 24.2 | 36% | 0.364 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.9 | -43.8 | 171.1 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | A83 T423 V424 A429 F430 V431 | A83-V427 HydrophobicContact CB-CG2 4.24Å; T423-V427 HydrophobicContact CG2-CG2 4.18Å; T423-V427 WeakPolarHBondContact O-CB 3.46Å; T423-V427 WeakPolarHBondContact O-CG2 3.45Å; T423-V427 PolarHBondContact O-N 3.31Å; V424-V427 PolarHBondContact O-N 3.32Å; V427-A429 VanDerWaalsContact C-N 3.3Å; V427-A429 PolarHBondContact O-N 3.01Å; V427-F430 WeakPolarHBondContact O-CB 3.44Å; V427-F430 PolarHBondContact O-N 3.01Å; V427-V431 WeakPolarHBondContact O-CG2 3.36Å; V427-V431 PolarHBondContact O-N 3.14Å |
| 428 | T | 95.2 | Very high | 89.6 | Confident | 18 Ų | 18 | 28.1 Ų | 28.1 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 173.1 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | F273 Q276 M277 V424 S425 F430 V431 L432 | F273-T428 HydrophobicContact CD2-CG2 3.9Å; F273-T428 VanDerWaalsContact CD2-OG1 3.3Å; F273-T428 WeakPolarHBondContact CD2-OG1 3.3Å; F273-T428 HydrophobicContact CE2-CG2 3.87Å; Q276-T428 HydrophobicContact CB-CG2 3.87Å; M277-T428 HydrophobicContact CG-CG2 3.87Å; M277-T428 HydrophobicContact SD-CG2 3.68Å; V424-T428 VanDerWaalsContact O-CB 3.3Å; V424-T428 WeakPolarHBondContact O-CB 3.4Å; V424-T428 PolarHBondContact O-N 3.45Å; V424-T428 PolarHBondContact O-OG1 2.98Å; S425-T428 PolarHBondContact O-N 3.19Å; T428-F430 VanDerWaalsContact C-N 3.33Å; T428-F430 PolarHBondContact O-N 2.97Å; T428-V431 PolarHBondContact O-N 3.35Å; T428-L432 VanDerWaalsContact O-CB 3.25Å; T428-L432 WeakPolarHBondContact O-CB 3.5Å; T428-L432 PolarHBondContact O-N 2.82Å |
| 429 | A | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q276 T281 S425 W426 V427 T433 | Q276-A429 HydrophobicContact CG-CB 4.4Å; T281-A429 HydrophobicContact CG2-CB 4.22Å; S425-A429 WeakPolarHBondContact O-CB 3.48Å; S425-A429 PolarHBondContact O-N 3.44Å; W426-A429 HydrophobicContact CE3-CB 4.1Å; W426-A429 PolarHBondContact O-N 2.83Å; V427-A429 VanDerWaalsContact C-N 3.3Å; V427-A429 PolarHBondContact O-N 3.01Å; A429-T433 WeakPolarHBondContact O-CB 2.8Å; A429-T433 PolarHBondContact O-N 2.86Å; A429-T433 PolarHBondContact O-OG1 3.36Å |
| 430 | F | 95.8 | Very high | 90.4 | Very high | 30 Ų | 30 | 29 Ų | 29 | 13% | 0.132 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -55.8 | 174.4 | 166.8 | -104.4 | 0 | 0 | 0 | 111.3 | W73 S76 L80 W426 V427 T428 L432 T433 H434 | W73-F430 HydrophobicContact CE3-CE2 4.1Å; W73-F430 HydrophobicContact CE3-CZ 4.4Å; W73-F430 HydrophobicContact CH2-CE2 4.29Å; W73-F430 AromaticContact CH2-CZ 3.79Å; W73-F430 HydrophobicContact CH2-CZ 3.79Å; W73-F430 AromaticContact CZ3-CE2 3.68Å; W73-F430 HydrophobicContact CZ3-CE2 3.68Å; W73-F430 AromaticContact CZ3-CZ 3.66Å; W73-F430 HydrophobicContact CZ3-CZ 3.66Å; S76-F430 WeakPolarHBondContact O-CD2 3.45Å; S76-F430 WeakPolarHBondContact OG-CD2 3.24Å; S76-F430 VanDerWaalsContact OG-CE2 3.24Å; S76-F430 WeakPolarHBondContact OG-CE2 3.39Å; L80-F430 HydrophobicContact CD1-CD1 4.23Å; L80-F430 HydrophobicContact CD1-CD2 3.57Å; L80-F430 HydrophobicContact CD1-CE1 4.04Å; L80-F430 HydrophobicContact CD1-CE2 3.34Å; L80-F430 HydrophobicContact CD1-CG 4.01Å; L80-F430 HydrophobicContact CD1-CZ 3.61Å; L80-F430 HydrophobicContact CD2-CB 4.39Å; L80-F430 HydrophobicContact CD2-CD1 4Å; L80-F430 HydrophobicContact CD2-CD2 4.35Å; L80-F430 HydrophobicContact CD2-CE1 4.4Å; L80-F430 HydrophobicContact CD2-CG 3.97Å; L80-F430 HydrophobicContact CG-CB 4.12Å; L80-F430 HydrophobicContact CG-CD1 4.03Å; L80-F430 HydrophobicContact CG-CD2 3.49Å; L80-F430 VanDerWaalsContact CG-CD2 3.49Å; L80-F430 HydrophobicContact CG-CE1 4.35Å; L80-F430 HydrophobicContact CG-CE2 3.85Å; L80-F430 HydrophobicContact CG-CG 3.59Å; L80-F430 HydrophobicContact CG-CZ 4.27Å; W426-F430 PolarHBondContact O-N 3.43Å; V427-F430 WeakPolarHBondContact O-CB 3.44Å; V427-F430 PolarHBondContact O-N 3.01Å; T428-F430 VanDerWaalsContact C-N 3.33Å; T428-F430 PolarHBondContact O-N 2.97Å; F430-L432 VanDerWaalsContact C-N 3.31Å; F430-L432 PolarHBondContact O-N 3.4Å; F430-T433 PolarHBondContact O-N 2.91Å; F430-H434 WeakPolarHBondContact O-CB 2.98Å; F430-H434 PolarHBondContact O-N 3.48Å |
| 431 | V | 95.3 | Very high | 90.4 | Very high | 84 Ų | 84 | 29.2 Ų | 29.2 | 51% | 0.509 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58 | -46.5 | -178.1 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | V427 T428 H434 A435 | V427-V431 WeakPolarHBondContact O-CG2 3.36Å; V427-V431 PolarHBondContact O-N 3.14Å; T428-V431 PolarHBondContact O-N 3.35Å; V431-H434 PolarHBondContact O-N 3.28Å; V431-A435 VanDerWaalsContact O-CB 3.22Å; V431-A435 WeakPolarHBondContact O-CB 3.34Å; V431-A435 PolarHBondContact O-N 3.37Å |
| 432 | L | 94.8 | Very high | 90.4 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | -178.4 | -164.7 | 69.2 | 0 | 0 | 0 | 112.4 | Q276 M277 P282 T428 F430 H434 A435 F436 F452 | Q276-L432 WeakPolarHBondContact O-CD2 3.42Å; M277-L432 HydrophobicContact SD-CD1 4.44Å; P282-L432 HydrophobicContact CG-CD2 4.07Å; P282-L432 HydrophobicContact CG-CG 4.1Å; T428-L432 VanDerWaalsContact O-CB 3.25Å; T428-L432 WeakPolarHBondContact O-CB 3.5Å; T428-L432 PolarHBondContact O-N 2.82Å; F430-L432 VanDerWaalsContact C-N 3.31Å; F430-L432 PolarHBondContact O-N 3.4Å; L432-H434 VanDerWaalsContact C-N 3.33Å; L432-H434 PolarHBondContact O-N 3.39Å; L432-A435 PolarHBondContact O-N 2.82Å; L432-F436 VanDerWaalsContact O-CB 3.27Å; L432-F436 WeakPolarHBondContact O-CB 3.26Å; L432-F436 PolarHBondContact O-N 3.07Å; L432-F452 HydrophobicContact CD1-CE1 4.24Å; L432-F452 HydrophobicContact CD2-CE1 4.11Å; L432-F452 HydrophobicContact CG-CE1 4.38Å |
| 433 | T | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.3 | -32.9 | 179.4 | -54.2 | 0 | 0 | 0 | 0 | 112 | V285 Y286 A429 F430 | V285-T433 HydrophobicContact CB-CG2 4.25Å; V285-T433 HydrophobicContact CG1-CG2 4Å; V285-T433 HydrophobicContact CG2-CG2 4.36Å; Y286-T433 HydrophobicContact CD2-CG2 4.48Å; Y286-T433 HydrophobicContact CE2-CG2 3.55Å; Y286-T433 WeakPolarHBondContact CE2-O 3.29Å; Y286-T433 PolarHBondContact OH-O 3.48Å; A429-T433 WeakPolarHBondContact O-CB 2.8Å; A429-T433 PolarHBondContact O-N 2.86Å; A429-T433 PolarHBondContact O-OG1 3.36Å; F430-T433 PolarHBondContact O-N 2.91Å |
| 434 | H | 93.3 | Very high | 90.1 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.9 | -43.6 | 175.5 | -168.6 | 72.2 | 0 | 0 | 0 | 111.7 | W73 F430 V431 L432 F436 T437 | W73-H434 AromaticContact CD1-CE1 3.67Å; W73-H434 AromaticContact CE2-CE1 3.81Å; W73-H434 AromaticContact NE1-CE1 3.48Å; W73-H434 PolarHBondContact NE1-CE1 3.35Å; F430-H434 WeakPolarHBondContact O-CB 2.98Å; F430-H434 PolarHBondContact O-N 3.48Å; V431-H434 PolarHBondContact O-N 3.28Å; L432-H434 VanDerWaalsContact C-N 3.33Å; L432-H434 PolarHBondContact O-N 3.39Å; H434-F436 VanDerWaalsContact C-N 3.3Å; H434-F436 PolarHBondContact O-N 3.33Å; H434-T437 PolarHBondContact O-OG1 2.88Å; H434-T437 VanDerWaalsContact O-OG1 3.1Å |
| 435 | A | 92 | Very high | 89.8 | Confident | 31 Ų | 31 | 38.8 Ų | 38.8 | 26% | 0.256 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.7 | -31.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V431 L432 T437 L438 L439 | V431-A435 VanDerWaalsContact O-CB 3.22Å; V431-A435 WeakPolarHBondContact O-CB 3.34Å; V431-A435 PolarHBondContact O-N 3.37Å; L432-A435 PolarHBondContact O-N 2.82Å; A435-T437 PolarHBondContact O-N 3.13Å; A435-L438 PolarHBondContact O-N 3.22Å; A435-L439 WeakPolarHBondContact O-CB 3.47Å; A435-L439 WeakPolarHBondContact O-CG 3.44Å; A435-L439 PolarHBondContact O-N 3.17Å |
| 436 | F | 90.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.8 | -50 | -177.9 | -179.2 | -97.5 | 0 | 0 | 0 | 112.6 | P282 Y286 I290 L432 H434 L438 L439 V440 L445 P448 F452 | P282-F436 HydrophobicContact CB-CB 3.78Å; P282-F436 HydrophobicContact CB-CD1 4.11Å; P282-F436 HydrophobicContact CB-CD2 3.9Å; P282-F436 HydrophobicContact CB-CG 3.65Å; P282-F436 HydrophobicContact CG-CB 4.49Å; P282-F436 HydrophobicContact CG-CD2 4.42Å; Y286-F436 AromaticContact CD2-CD1 3.4Å; Y286-F436 HydrophobicContact CD2-CD1 3.4Å; Y286-F436 AromaticContact CD2-CE1 3.83Å; Y286-F436 HydrophobicContact CD2-CE1 3.83Å; Y286-F436 HydrophobicContact CD2-CG 4.33Å; Y286-F436 HydrophobicContact CE2-CB 4.46Å; Y286-F436 AromaticContact CE2-CD1 3.83Å; Y286-F436 HydrophobicContact CE2-CD1 3.83Å; Y286-F436 HydrophobicContact CG-CD1 4.14Å; Y286-F436 HydrophobicContact CG-CE1 4.19Å; I290-F436 HydrophobicContact CD1-CE1 4.02Å; I290-F436 HydrophobicContact CD1-CZ 3.69Å; I290-F436 HydrophobicContact CG1-CE1 4.19Å; I290-F436 HydrophobicContact CG1-CZ 4.03Å; L432-F436 VanDerWaalsContact O-CB 3.27Å; L432-F436 WeakPolarHBondContact O-CB 3.26Å; L432-F436 PolarHBondContact O-N 3.07Å; H434-F436 VanDerWaalsContact C-N 3.3Å; H434-F436 PolarHBondContact O-N 3.33Å; F436-L438 PolarHBondContact O-N 3.43Å; F436-L439 PolarHBondContact O-N 3.17Å; F436-V440 HydrophobicContact CD1-CG2 4.15Å; F436-V440 HydrophobicContact CD2-CG2 4.43Å; F436-V440 HydrophobicContact CE1-CG2 3.81Å; F436-V440 HydrophobicContact CE2-CG2 4.11Å; F436-V440 HydrophobicContact CG-CG2 4.46Å; F436-V440 HydrophobicContact CZ-CG2 3.78Å; F436-V440 WeakPolarHBondContact O-CB 3.47Å; F436-V440 VanDerWaalsContact O-CG2 3.24Å; F436-V440 WeakPolarHBondContact O-CG2 3.41Å; F436-V440 PolarHBondContact O-N 3.45Å; F436-L445 HydrophobicContact CZ-CD2 4.17Å; F436-P448 HydrophobicContact CD2-CB 3.8Å; F436-P448 HydrophobicContact CD2-CG 4.23Å; F436-P448 HydrophobicContact CE2-CB 3.65Å; F436-P448 HydrophobicContact CE2-CG 4.19Å; F436-F452 HydrophobicContact CD2-CE2 4.38Å; F436-F452 AromaticContact CD2-CZ 3.98Å; F436-F452 HydrophobicContact CD2-CZ 3.98Å; F436-F452 HydrophobicContact CE2-CE2 4.13Å; F436-F452 HydrophobicContact CE2-CZ 4.19Å |
| 437 | T | 84.6 | Confident | 89.3 | Confident | 16 Ų | 16 | 44 Ų | 44 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | -179.8 | 44.4 | 0 | 0 | 0 | 0 | 112.1 | A72 Y286 H434 A435 L439 V440 D441 | A72-T437 WeakPolarHBondContact CB-OG1 3.3Å; Y286-T437 HydrophobicContact CD1-CG2 4.15Å; Y286-T437 HydrophobicContact CD2-CG2 4.43Å; Y286-T437 HydrophobicContact CE1-CG2 3.48Å; Y286-T437 VanDerWaalsContact CE1-CG2 3.48Å; Y286-T437 HydrophobicContact CE2-CG2 3.79Å; Y286-T437 WeakPolarHBondContact OH-CG2 3.49Å; H434-T437 PolarHBondContact O-OG1 2.88Å; H434-T437 VanDerWaalsContact O-OG1 3.1Å; A435-T437 PolarHBondContact O-N 3.13Å; T437-L439 VanDerWaalsContact C-N 3.34Å; T437-L439 PolarHBondContact O-N 2.73Å; T437-V440 PolarHBondContact O-N 3.36Å; T437-D441 VanDerWaalsContact O-CG 3.29Å; T437-D441 PolarHBondContact O-N 3.33Å |
| 438 | L | 85.3 | Confident | 89.1 | Confident | 84 Ų | 84 | 41.2 Ų | 41.2 | 44% | 0.44 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.3 | -41 | 177.8 | -60.8 | 175.3 | 0 | 0 | 0 | 111.8 | A435 F436 A442 | A435-L438 PolarHBondContact O-N 3.22Å; F436-L438 PolarHBondContact O-N 3.43Å; L438-A442 WeakPolarHBondContact O-CB 3.3Å; L438-A442 PolarHBondContact O-N 2.85Å |
| 439 | L | 87.1 | Confident | 88.8 | Confident | 45 Ų | 45 | 40.7 Ų | 40.7 | 24% | 0.236 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.4 | -39.7 | 176.5 | -71.3 | 172.1 | 0 | 0 | 0 | 112 | A435 F436 T437 D441 A442 Y443 V447 P448 M451 | A435-L439 WeakPolarHBondContact O-CB 3.47Å; A435-L439 WeakPolarHBondContact O-CG 3.44Å; A435-L439 PolarHBondContact O-N 3.17Å; F436-L439 PolarHBondContact O-N 3.17Å; T437-L439 VanDerWaalsContact C-N 3.34Å; T437-L439 PolarHBondContact O-N 2.73Å; L439-D441 VanDerWaalsContact C-N 3.33Å; L439-A442 PolarHBondContact O-N 3.48Å; L439-Y443 HydrophobicContact CD2-CD2 4.16Å; L439-Y443 HydrophobicContact CD2-CE2 4.44Å; L439-Y443 PolarHBondContact O-N 2.92Å; L439-V447 HydrophobicContact CD2-CG1 4.36Å; L439-P448 HydrophobicContact CB-CG 3.92Å; L439-M451 HydrophobicContact CD1-SD 4.11Å |
| 440 | V | 86.2 | Confident | 88.7 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.085 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -38.2 | 177.1 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | K293 F436 T437 G444 L445 P448 | K293-V440 HydrophobicContact CD-CG1 4.2Å; K293-V440 VanDerWaalsContact NZ-CG1 3.32Å; F436-V440 HydrophobicContact CD1-CG2 4.15Å; F436-V440 HydrophobicContact CD2-CG2 4.43Å; F436-V440 HydrophobicContact CE1-CG2 3.81Å; F436-V440 HydrophobicContact CE2-CG2 4.11Å; F436-V440 HydrophobicContact CG-CG2 4.46Å; F436-V440 HydrophobicContact CZ-CG2 3.78Å; F436-V440 WeakPolarHBondContact O-CB 3.47Å; F436-V440 VanDerWaalsContact O-CG2 3.24Å; F436-V440 WeakPolarHBondContact O-CG2 3.41Å; F436-V440 PolarHBondContact O-N 3.45Å; T437-V440 PolarHBondContact O-N 3.36Å; V440-G444 WeakPolarHBondContact CA-O 3.3Å; V440-G444 WeakPolarHBondContact O-CA 3.25Å; V440-G444 PolarHBondContact O-N 3.49Å; V440-L445 HydrophobicContact CG1-CD2 4.29Å; V440-L445 HydrophobicContact CG2-CD2 3.85Å; V440-P448 HydrophobicContact CG2-CG 3.88Å |
| 441 | D | 82.4 | Confident | 88.5 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -75.1 | -32.8 | 179.5 | -67.2 | -18.7 | 0 | 0 | 0 | 112.1 | K293 T437 L439 | K293-D441 IonicContact NZ-OD1 3.5Å; K293-D441 PolarHBondContact NZ-OD1 3.05Å; T437-D441 VanDerWaalsContact O-CG 3.29Å; T437-D441 PolarHBondContact O-N 3.33Å; L439-D441 VanDerWaalsContact C-N 3.33Å |
| 442 | A | 84.6 | Confident | 88.4 | Confident | 68 Ų | 68 | 42.8 Ų | 42.8 | 56% | 0.562 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -84 | -39.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L438 L439 | L438-A442 WeakPolarHBondContact O-CB 3.3Å; L438-A442 PolarHBondContact O-N 2.85Å; L439-A442 PolarHBondContact O-N 3.48Å |
| 443 | Y | 82.6 | Confident | 88.3 | Confident | 160 Ų | 160 | 42.3 Ų | 42.3 | 63% | 0.627 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -130.5 | 6.6 | -169.1 | -56.7 | -74.5 | 0 | 0 | 0 | 113.9 | L439 V447 | L439-Y443 HydrophobicContact CD2-CD2 4.16Å; L439-Y443 HydrophobicContact CD2-CE2 4.44Å; L439-Y443 PolarHBondContact O-N 2.92Å; Y443-V447 VanDerWaalsContact CB-CG2 3.5Å; Y443-V447 HydrophobicContact CG-CG2 4.04Å |
| 444 | G | 83.9 | Confident | 88.4 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | -169.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V440 Y446 P448 | V440-G444 WeakPolarHBondContact CA-O 3.3Å; V440-G444 WeakPolarHBondContact O-CA 3.25Å; V440-G444 PolarHBondContact O-N 3.49Å; G444-Y446 VanDerWaalsContact C-N 3.26Å; G444-Y446 PolarHBondContact O-N 2.83Å; G444-P448 VanDerWaalsContact O-CD 3.26Å; G444-P448 WeakPolarHBondContact O-CD 3.48Å |
| 445 | L | 84.1 | Confident | 88.4 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15.3 | -177.4 | -72.2 | 167.5 | 0 | 0 | 0 | 113.7 | I290 K293 F436 V440 P448 Y449 | I290-L445 HydrophobicContact CG1-CD2 4.33Å; K293-L445 HydrophobicContact CB-CD1 4.44Å; F436-L445 HydrophobicContact CZ-CD2 4.17Å; V440-L445 HydrophobicContact CG1-CD2 4.29Å; V440-L445 HydrophobicContact CG2-CD2 3.85Å; L445-P448 WeakPolarHBondContact O-CD 3.39Å; L445-Y449 HydrophobicContact CB-CD2 4.04Å; L445-Y449 HydrophobicContact CB-CE2 3.7Å; L445-Y449 HydrophobicContact CD1-CE2 4.44Å; L445-Y449 HydrophobicContact CD2-CE2 4.25Å; L445-Y449 HydrophobicContact CG-CE2 4.35Å; L445-Y449 WeakPolarHBondContact O-CD2 3.24Å; L445-Y449 PolarHBondContact O-N 3.33Å |
| 446 | Y | 86.3 | Confident | 88.5 | Confident | 76 Ų | 76 | 43.4 Ų | 43.4 | 30% | 0.298 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.8 | -52.6 | -176.9 | 172.3 | -108.5 | 0 | 0 | 0 | 113.1 | T346 H350 G444 Y449 L450 | T346-Y446 HydrophobicContact CG2-CD2 3.92Å; T346-Y446 HydrophobicContact CG2-CE2 3.57Å; T346-Y446 WeakPolarHBondContact O-CD2 3.44Å; H350-Y446 HydrophobicContact CB-CD2 3.75Å; H350-Y446 HydrophobicContact CB-CE2 3.73Å; H350-Y446 AromaticContact CD2-CE2 3.78Å; H350-Y446 AromaticContact CD2-CZ 3.88Å; G444-Y446 VanDerWaalsContact C-N 3.26Å; G444-Y446 PolarHBondContact O-N 2.83Å; Y446-Y449 PolarHBondContact O-N 3.28Å; Y446-L450 HydrophobicContact CE1-CD2 4.28Å; Y446-L450 WeakPolarHBondContact O-CB 3.23Å; Y446-L450 PolarHBondContact O-N 3.45Å |
| 447 | V | 88.5 | Confident | 88.7 | Confident | 40 Ų | 40 | 45.8 Ų | 45.8 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | -175.6 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | L439 Y443 Y449 L450 M451 | L439-V447 HydrophobicContact CD2-CG1 4.36Å; Y443-V447 VanDerWaalsContact CB-CG2 3.5Å; Y443-V447 HydrophobicContact CG-CG2 4.04Å; V447-Y449 PolarHBondContact O-N 3.48Å; V447-L450 PolarHBondContact O-N 3.48Å; V447-M451 WeakPolarHBondContact O-CG 3.35Å; V447-M451 PolarHBondContact O-N 2.99Å |
| 448 | P | 89.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.5 | -45.9 | 174.3 | -26.8 | 34.3 | 0 | 0 | 0 | 113.6 | F436 L439 V440 G444 L445 L450 M451 F452 | F436-P448 HydrophobicContact CD2-CB 3.8Å; F436-P448 HydrophobicContact CD2-CG 4.23Å; F436-P448 HydrophobicContact CE2-CB 3.65Å; F436-P448 HydrophobicContact CE2-CG 4.19Å; L439-P448 HydrophobicContact CB-CG 3.92Å; V440-P448 HydrophobicContact CG2-CG 3.88Å; G444-P448 VanDerWaalsContact O-CD 3.26Å; G444-P448 WeakPolarHBondContact O-CD 3.48Å; L445-P448 WeakPolarHBondContact O-CD 3.39Å; P448-L450 PolarHBondContact O-N 3.03Å; P448-M451 WeakPolarHBondContact O-CB 3.39Å; P448-M451 PolarHBondContact O-N 2.92Å; P448-F452 HydrophobicContact CB-CE2 4.4Å; P448-F452 HydrophobicContact CB-CZ 4.39Å; P448-F452 WeakPolarHBondContact O-CD1 3.47Å; P448-F452 WeakPolarHBondContact O-CD2 3.07Å; P448-F452 WeakPolarHBondContact O-CG 3.15Å; P448-F452 PolarHBondContact O-N 3.38Å |
| 449 | Y | 89.8 | Confident | 89.4 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 179.7 | -67.2 | -39.9 | 0 | 0 | 0 | 112.5 | I290 L345 T346 S349 L445 Y446 V447 M451 F452 T453 | I290-Y449 VanDerWaalsContact CG2-OH 3.24Å; I290-Y449 WeakPolarHBondContact CG2-OH 3.28Å; L345-Y449 HydrophobicContact CB-CD1 4.3Å; L345-Y449 HydrophobicContact CB-CD2 3.9Å; L345-Y449 HydrophobicContact CB-CE2 4.16Å; L345-Y449 HydrophobicContact CB-CG 3.98Å; L345-Y449 HydrophobicContact CD1-CD1 4.34Å; L345-Y449 HydrophobicContact CD1-CE1 4.09Å; L345-Y449 HydrophobicContact CD2-CE2 4.49Å; T346-Y449 WeakPolarHBondContact OG1-CB 3.39Å; T346-Y449 PolarHBondContact OG1-O 3.47Å; S349-Y449 WeakPolarHBondContact OG-CD2 3.33Å; L445-Y449 HydrophobicContact CB-CD2 4.04Å; L445-Y449 HydrophobicContact CB-CE2 3.7Å; L445-Y449 HydrophobicContact CD1-CE2 4.44Å; L445-Y449 HydrophobicContact CD2-CE2 4.25Å; L445-Y449 HydrophobicContact CG-CE2 4.35Å; L445-Y449 WeakPolarHBondContact O-CD2 3.24Å; L445-Y449 PolarHBondContact O-N 3.33Å; Y446-Y449 PolarHBondContact O-N 3.28Å; V447-Y449 PolarHBondContact O-N 3.48Å; Y449-M451 VanDerWaalsContact C-N 3.34Å; Y449-M451 PolarHBondContact O-N 2.89Å; Y449-F452 AromaticContact CD1-CD2 3.99Å; Y449-F452 HydrophobicContact CD1-CD2 3.99Å; Y449-F452 HydrophobicContact CD1-CE2 4.33Å; Y449-F452 PolarHBondContact O-N 2.68Å; Y449-T453 PolarHBondContact O-N 2.97Å; Y449-T453 PolarHBondContact O-OG1 3.2Å; Y449-T453 VanDerWaalsContact O-OG1 3.04Å |
| 450 | L | 91.9 | Very high | 89.7 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 36% | 0.356 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 174.1 | -179.3 | 65.7 | 0 | 0 | 0 | 111.1 | T346 Y446 V447 P448 F452 T453 V454 | T346-L450 HydrophobicContact CG2-CB 3.92Å; T346-L450 HydrophobicContact CG2-CD1 3.93Å; T346-L450 PolarHBondContact OG1-N 2.88Å; Y446-L450 HydrophobicContact CE1-CD2 4.28Å; Y446-L450 WeakPolarHBondContact O-CB 3.23Å; Y446-L450 PolarHBondContact O-N 3.45Å; V447-L450 PolarHBondContact O-N 3.48Å; P448-L450 PolarHBondContact O-N 3.03Å; L450-F452 VanDerWaalsContact C-N 3.33Å; L450-F452 PolarHBondContact O-N 3.26Å; L450-T453 PolarHBondContact O-N 3.43Å; L450-V454 WeakPolarHBondContact O-CG2 3.38Å; L450-V454 PolarHBondContact O-N 3.2Å |
| 451 | M | 92.3 | Very high | 89.9 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 42% | 0.419 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 174.8 | -72 | -175 | 69.5 | 0 | 0 | 111.6 | L439 V447 P448 Y449 T453 V454 V455 | L439-M451 HydrophobicContact CD1-SD 4.11Å; V447-M451 WeakPolarHBondContact O-CG 3.35Å; V447-M451 PolarHBondContact O-N 2.99Å; P448-M451 WeakPolarHBondContact O-CB 3.39Å; P448-M451 PolarHBondContact O-N 2.92Å; Y449-M451 VanDerWaalsContact C-N 3.34Å; Y449-M451 PolarHBondContact O-N 2.89Å; M451-T453 VanDerWaalsContact C-N 3.33Å; M451-T453 PolarHBondContact O-N 3.3Å; M451-V454 PolarHBondContact O-N 3.35Å; M451-V455 VanDerWaalsContact O-CG2 3.3Å; M451-V455 WeakPolarHBondContact O-CG2 3.28Å; M451-V455 PolarHBondContact O-N 3.01Å |
| 452 | F | 92.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 177.8 | -59 | -20.7 | 0 | 0 | 0 | 112.1 | T278 G279 P282 I283 L432 F436 P448 Y449 L450 V455 C456 | T278-F452 WeakPolarHBondContact O-CB 3.49Å; T278-F452 WeakPolarHBondContact O-CG 3.47Å; G279-F452 VanDerWaalsContact CA-CZ 3.44Å; P282-F452 HydrophobicContact CG-CZ 4.03Å; I283-F452 HydrophobicContact CD1-CD2 4.08Å; I283-F452 HydrophobicContact CD1-CE2 4.03Å; I283-F452 HydrophobicContact CG1-CE2 4.16Å; L432-F452 HydrophobicContact CD1-CE1 4.24Å; L432-F452 HydrophobicContact CD2-CE1 4.11Å; L432-F452 HydrophobicContact CG-CE1 4.38Å; F436-F452 HydrophobicContact CD2-CE2 4.38Å; F436-F452 AromaticContact CD2-CZ 3.98Å; F436-F452 HydrophobicContact CD2-CZ 3.98Å; F436-F452 HydrophobicContact CE2-CE2 4.13Å; F436-F452 HydrophobicContact CE2-CZ 4.19Å; P448-F452 HydrophobicContact CB-CE2 4.4Å; P448-F452 HydrophobicContact CB-CZ 4.39Å; P448-F452 WeakPolarHBondContact O-CD1 3.47Å; P448-F452 WeakPolarHBondContact O-CD2 3.07Å; P448-F452 WeakPolarHBondContact O-CG 3.15Å; P448-F452 PolarHBondContact O-N 3.38Å; Y449-F452 AromaticContact CD1-CD2 3.99Å; Y449-F452 HydrophobicContact CD1-CD2 3.99Å; Y449-F452 HydrophobicContact CD1-CE2 4.33Å; Y449-F452 PolarHBondContact O-N 2.68Å; L450-F452 VanDerWaalsContact C-N 3.33Å; L450-F452 PolarHBondContact O-N 3.26Å; F452-V455 PolarHBondContact O-N 2.9Å; F452-C456 PolarHBondContact O-N 3.1Å; F452-C456 PolarHBondContact O-SG 2.9Å |
| 453 | T | 93.6 | Very high | 90.4 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 175.9 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | F339 S342 L343 T346 Y449 L450 M451 V455 C456 V457 | F339-T453 HydrophobicContact CD2-CG2 3.97Å; F339-T453 HydrophobicContact CE2-CG2 3.7Å; S342-T453 VanDerWaalsContact CB-OG1 3.28Å; S342-T453 WeakPolarHBondContact CB-OG1 3.26Å; S342-T453 PolarHBondContact O-OG1 3.33Å; S342-T453 VanDerWaalsContact OG-CA 3.28Å; S342-T453 WeakPolarHBondContact OG-CA 3.02Å; S342-T453 PolarHBondContact OG-OG1 3.04Å; L343-T453 HydrophobicContact CB-CG2 4.11Å; L343-T453 HydrophobicContact CD1-CG2 4.15Å; L343-T453 PolarHBondContact N-OG1 2.81Å; T346-T453 PolarHBondContact OG1-OG1 3.27Å; Y449-T453 PolarHBondContact O-N 2.97Å; Y449-T453 PolarHBondContact O-OG1 3.2Å; Y449-T453 VanDerWaalsContact O-OG1 3.04Å; L450-T453 PolarHBondContact O-N 3.43Å; M451-T453 VanDerWaalsContact C-N 3.33Å; M451-T453 PolarHBondContact O-N 3.3Å; T453-V455 VanDerWaalsContact C-N 3.32Å; T453-V455 PolarHBondContact O-N 3.24Å; T453-C456 PolarHBondContact O-N 3.13Å; T453-C456 VanDerWaalsContact O-N 3.16Å; T453-V457 PolarHBondContact O-N 3.31Å |
| 454 | V | 95 | Very high | 90.5 | Very high | 71 Ų | 71 | 38.4 Ų | 38.4 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | L450 M451 C456 V457 F458 | L450-V454 WeakPolarHBondContact O-CG2 3.38Å; L450-V454 PolarHBondContact O-N 3.2Å; M451-V454 PolarHBondContact O-N 3.35Å; V454-C456 VanDerWaalsContact C-N 3.33Å; V454-C456 PolarHBondContact O-N 2.87Å; V454-V457 WeakPolarHBondContact O-CB 3.29Å; V454-V457 PolarHBondContact O-N 3.01Å; V454-F458 HydrophobicContact CG1-CD2 3.98Å; V454-F458 HydrophobicContact CG1-CE2 3.57Å; V454-F458 WeakPolarHBondContact O-CD2 3.38Å; V454-F458 PolarHBondContact O-N 3.5Å |
| 455 | V | 94.4 | Very high | 90.6 | Very high | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 176.5 | 173 | 0 | 0 | 0 | 0 | 111.9 | L274 M277 T278 M451 F452 T453 V457 F458 C459 | L274-V455 HydrophobicContact CD2-CG1 4.46Å; M277-V455 HydrophobicContact CB-CG1 3.68Å; M277-V455 HydrophobicContact CB-CG2 4.14Å; M277-V455 HydrophobicContact CE-CG2 4.24Å; T278-V455 HydrophobicContact CG2-CG1 4.47Å; M451-V455 VanDerWaalsContact O-CG2 3.3Å; M451-V455 WeakPolarHBondContact O-CG2 3.28Å; M451-V455 PolarHBondContact O-N 3.01Å; F452-V455 PolarHBondContact O-N 2.9Å; T453-V455 VanDerWaalsContact C-N 3.32Å; T453-V455 PolarHBondContact O-N 3.24Å; V455-V457 VanDerWaalsContact C-N 3.27Å; V455-V457 PolarHBondContact O-N 3.16Å; V455-F458 WeakPolarHBondContact O-CB 3.46Å; V455-F458 PolarHBondContact O-N 3.31Å; V455-F458 VanDerWaalsContact O-N 3.14Å; V455-C459 WeakPolarHBondContact O-CB 3.28Å; V455-C459 PolarHBondContact O-N 3.49Å; V455-C459 PolarHBondContact O-SG 3.18Å |
| 456 | C | 93.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -32.8 | 176.9 | -70.5 | 0 | 0 | 0 | 0 | 112.2 | F339 F452 T453 V454 C459 L460 | F339-C456 HydrophobicContact CB-CB 3.89Å; F339-C456 HydrophobicContact CD2-CB 4.29Å; F452-C456 PolarHBondContact O-N 3.1Å; F452-C456 PolarHBondContact O-SG 2.9Å; T453-C456 PolarHBondContact O-N 3.13Å; T453-C456 VanDerWaalsContact O-N 3.16Å; V454-C456 VanDerWaalsContact C-N 3.33Å; V454-C456 PolarHBondContact O-N 2.87Å; C456-C459 WeakPolarHBondContact O-CB 3.44Å; C456-C459 PolarHBondContact O-N 3Å; C456-L460 PolarHBondContact O-N 3.11Å |
| 457 | V | 94.2 | Very high | 90.2 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 35% | 0.352 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.5 | -46 | 170.8 | 178.5 | 0 | 0 | 0 | 0 | 111 | F339 T453 V454 V455 C459 L460 L461 | F339-V457 HydrophobicContact CD2-CG2 3.6Å; F339-V457 HydrophobicContact CE2-CG2 3.32Å; F339-V457 HydrophobicContact CZ-CG2 4.18Å; T453-V457 PolarHBondContact O-N 3.31Å; V454-V457 WeakPolarHBondContact O-CB 3.29Å; V454-V457 PolarHBondContact O-N 3.01Å; V455-V457 VanDerWaalsContact C-N 3.27Å; V455-V457 PolarHBondContact O-N 3.16Å; V457-C459 VanDerWaalsContact C-N 3.26Å; V457-C459 PolarHBondContact O-N 3.23Å; V457-L460 WeakPolarHBondContact O-CB 3.42Å; V457-L460 PolarHBondContact O-N 2.98Å; V457-L460 VanDerWaalsContact O-N 3.14Å; V457-L461 HydrophobicContact CG1-CD1 4.32Å; V457-L461 WeakPolarHBondContact O-CG 3.32Å; V457-L461 PolarHBondContact O-N 3.43Å |
| 458 | F | 93.8 | Very high | 89.4 | Confident | 120 Ų | 120 | 38.2 Ų | 38.2 | 53% | 0.526 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.5 | -37.6 | 174.5 | -74.1 | -65.3 | 0 | 0 | 0 | 112.3 | L274 V454 V455 L461 F462 | L274-F458 HydrophobicContact CD2-CB 4.46Å; V454-F458 HydrophobicContact CG1-CD2 3.98Å; V454-F458 HydrophobicContact CG1-CE2 3.57Å; V454-F458 WeakPolarHBondContact O-CD2 3.38Å; V454-F458 PolarHBondContact O-N 3.5Å; V455-F458 WeakPolarHBondContact O-CB 3.46Å; V455-F458 PolarHBondContact O-N 3.31Å; V455-F458 VanDerWaalsContact O-N 3.14Å; F458-L461 PolarHBondContact O-N 3.32Å; F458-F462 VanDerWaalsContact O-CB 3.27Å; F458-F462 WeakPolarHBondContact O-CB 3.47Å; F458-F462 PolarHBondContact O-N 2.91Å |
| 459 | C | 91.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 173.7 | -74 | 0 | 0 | 0 | 0 | 112 | W397 V455 C456 V457 F462 N463 | W397-C459 HydrophobicContact CH2-CB 3.8Å; W397-C459 HydrophobicContact CZ2-CB 3.31Å; V455-C459 WeakPolarHBondContact O-CB 3.28Å; V455-C459 PolarHBondContact O-N 3.49Å; V455-C459 PolarHBondContact O-SG 3.18Å; C456-C459 WeakPolarHBondContact O-CB 3.44Å; C456-C459 PolarHBondContact O-N 3Å; V457-C459 VanDerWaalsContact C-N 3.26Å; V457-C459 PolarHBondContact O-N 3.23Å; C459-F462 PolarHBondContact O-N 3.23Å; C459-N463 WeakPolarHBondContact O-CB 3.41Å; C459-N463 PolarHBondContact O-N 3.17Å; C459-N463 PolarHBondContact O-ND2 3.49Å; C459-N463 PolarHBondContact O-OD1 2.98Å |
| 460 | L | 92 | Very high | 87.9 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 173.9 | -79.8 | 165 | 0 | 0 | 0 | 111.9 | Y332 S335 M336 F339 C456 V457 F462 N463 A464 | Y332-L460 HydrophobicContact CD1-CD2 4.21Å; S335-L460 VanDerWaalsContact CB-CD2 3.46Å; M336-L460 HydrophobicContact CE-CD1 4.39Å; M336-L460 HydrophobicContact CE-CD2 4.35Å; M336-L460 HydrophobicContact SD-CD1 4.41Å; F339-L460 HydrophobicContact CB-CD1 4.22Å; F339-L460 HydrophobicContact CG-CD1 4.37Å; C456-L460 PolarHBondContact O-N 3.11Å; V457-L460 WeakPolarHBondContact O-CB 3.42Å; V457-L460 PolarHBondContact O-N 2.98Å; V457-L460 VanDerWaalsContact O-N 3.14Å; L460-F462 VanDerWaalsContact C-N 3.33Å; L460-F462 PolarHBondContact O-N 3.42Å; L460-N463 PolarHBondContact O-N 3.44Å; L460-A464 PolarHBondContact O-N 3.27Å |
| 461 | L | 92.2 | Very high | 86.6 | Confident | 104 Ų | 104 | 41.6 Ų | 41.6 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.3 | -32 | 178.8 | -66.7 | 175.2 | 0 | 0 | 0 | 113 | V457 F458 A464 V465 | V457-L461 HydrophobicContact CG1-CD1 4.32Å; V457-L461 WeakPolarHBondContact O-CG 3.32Å; V457-L461 PolarHBondContact O-N 3.43Å; F458-L461 PolarHBondContact O-N 3.32Å; L461-A464 VanDerWaalsContact O-CA 3.29Å; L461-A464 WeakPolarHBondContact O-CA 3.36Å; L461-V465 PolarHBondContact O-N 3.5Å |
| 462 | F | 90.1 | Very high | 85.1 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.3 | -44.5 | 174.7 | -175.2 | -93 | 0 | 0 | 0 | 111 | I267 M271 L274 F458 C459 L460 V465 C466 I467 | I267-F462 HydrophobicContact CG2-CZ 4.03Å; M271-F462 HydrophobicContact CB-CE1 3.88Å; M271-F462 HydrophobicContact CB-CZ 4.25Å; M271-F462 HydrophobicContact CG-CE1 4.41Å; L274-F462 HydrophobicContact CD1-CB 3.72Å; L274-F462 HydrophobicContact CD1-CD1 4.03Å; L274-F462 HydrophobicContact CD1-CD2 3.82Å; L274-F462 HydrophobicContact CD1-CE2 4.44Å; L274-F462 HydrophobicContact CD1-CG 3.58Å; F458-F462 VanDerWaalsContact O-CB 3.27Å; F458-F462 WeakPolarHBondContact O-CB 3.47Å; F458-F462 PolarHBondContact O-N 2.91Å; C459-F462 PolarHBondContact O-N 3.23Å; L460-F462 VanDerWaalsContact C-N 3.33Å; L460-F462 PolarHBondContact O-N 3.42Å; F462-V465 PolarHBondContact O-N 2.73Å; F462-C466 HydrophobicContact CD1-CB 4.32Å; F462-C466 HydrophobicContact CD2-CB 3.89Å; F462-C466 HydrophobicContact CE1-CB 4.12Å; F462-C466 HydrophobicContact CE2-CB 3.68Å; F462-C466 HydrophobicContact CG-CB 4.21Å; F462-C466 HydrophobicContact CZ-CB 3.81Å; F462-C466 WeakPolarHBondContact O-CB 3.22Å; F462-C466 PolarHBondContact O-N 2.86Å; F462-I467 HydrophobicContact CD1-CD1 4.13Å; F462-I467 HydrophobicContact CD1-CG1 4.14Å; F462-I467 HydrophobicContact CE1-CD1 4.06Å; F462-I467 HydrophobicContact CE1-CG1 3.93Å |
| 463 | N | 87.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 177.3 | -68.9 | -10.1 | 0 | 0 | 0 | 112.1 | K328 L331 Y332 S335 W397 C459 L460 I467 | K328-N463 WeakPolarHBondContact CE-O 3.3Å; L331-N463 PolarHBondContact O-ND2 3.34Å; Y332-N463 HydrophobicContact CD2-CB 4.49Å; Y332-N463 HydrophobicContact CE2-CB 4.3Å; Y332-N463 PolarHBondContact OH-O 3Å; S335-N463 PolarHBondContact OG-ND2 3.36Å; W397-N463 WeakPolarHBondContact CZ2-ND2 3.5Å; W397-N463 WeakPolarHBondContact CZ2-OD1 3.28Å; C459-N463 WeakPolarHBondContact O-CB 3.41Å; C459-N463 PolarHBondContact O-N 3.17Å; C459-N463 PolarHBondContact O-ND2 3.49Å; C459-N463 PolarHBondContact O-OD1 2.98Å; L460-N463 PolarHBondContact O-N 3.44Å; N463-I467 WeakPolarHBondContact OD1-CD1 3.25Å |
| 464 | A | 84.5 | Confident | 82.4 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 31% | 0.314 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | 6 | -100.2 | 133.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | K328 Y332 L460 L461 | K328-A464 PolarHBondContact NZ-O 2.98Å; Y332-A464 HydrophobicContact CE1-CB 3.91Å; Y332-A464 WeakPolarHBondContact OH-CA 3.46Å; Y332-A464 WeakPolarHBondContact OH-CB 3.16Å; Y332-A464 PolarHBondContact OH-N 3.46Å; Y332-A464 PolarHBondContact OH-O 3.36Å; L460-A464 PolarHBondContact O-N 3.27Å; L461-A464 VanDerWaalsContact O-CA 3.29Å; L461-A464 WeakPolarHBondContact O-CA 3.36Å |
| 465 | V | 84.8 | Confident | 80.7 | Confident | 99 Ų | 99 | 53.3 Ų | 53.3 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -103.4 | -31.6 | -156.3 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | L461 F462 | L461-V465 PolarHBondContact O-N 3.5Å; F462-V465 PolarHBondContact O-N 2.73Å |
| 466 | C | 81.4 | Confident | 79.1 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -28 | -167.3 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | F462 P468 | F462-C466 HydrophobicContact CD1-CB 4.32Å; F462-C466 HydrophobicContact CD2-CB 3.89Å; F462-C466 HydrophobicContact CE1-CB 4.12Å; F462-C466 HydrophobicContact CE2-CB 3.68Å; F462-C466 HydrophobicContact CG-CB 4.21Å; F462-C466 HydrophobicContact CZ-CB 3.81Å; F462-C466 WeakPolarHBondContact O-CB 3.22Å; F462-C466 PolarHBondContact O-N 2.86Å; C466-P468 WeakPolarHBondContact O-CD 3.33Å |
| 467 | I | 80.3 | Confident | 77.6 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 118.1 | -174.2 | -58.6 | -171.7 | 0 | 0 | 0 | 111.4 | M271 K328 L331 L404 F462 N463 | M271-I467 HydrophobicContact SD-CD1 4.28Å; K328-I467 WeakPolarHBondContact CE-O 3.43Å; K328-I467 PolarHBondContact NZ-O 2.97Å; L331-I467 HydrophobicContact CD1-CD1 3.69Å; L331-I467 HydrophobicContact CD1-CG2 4.22Å; L404-I467 HydrophobicContact CD1-CD1 4.38Å; L404-I467 HydrophobicContact CD1-CG2 3.93Å; F462-I467 HydrophobicContact CD1-CD1 4.13Å; F462-I467 HydrophobicContact CD1-CG1 4.14Å; F462-I467 HydrophobicContact CE1-CD1 4.06Å; F462-I467 HydrophobicContact CE1-CG1 3.93Å; N463-I467 WeakPolarHBondContact OD1-CD1 3.25Å |
| 468 | P | 73.2 | Confident | 76.2 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 156.3 | 170.1 | 32.8 | -33.4 | 0 | 0 | 0 | 111.3 | C466 T470 Y481 F482 F488 | C466-P468 WeakPolarHBondContact O-CD 3.33Å; P468-T470 PolarHBondContact O-N 2.71Å; P468-Y481 HydrophobicContact CB-CD1 4.33Å; P468-Y481 HydrophobicContact CB-CE1 3.77Å; P468-Y481 HydrophobicContact CB-CE2 4.47Å; P468-Y481 HydrophobicContact CG-CE1 4.13Å; P468-F482 HydrophobicContact CG-CE2 4.49Å; P468-F482 HydrophobicContact CG-CZ 3.99Å; P468-F488 HydrophobicContact CB-CZ 4.2Å |
| 469 | E | 77.6 | Confident | 74.7 | Confident | 61 Ų | 61 | 55.1 Ų | 55.1 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 119.5 | 169.2 | -179 | 57.9 | -108.3 | 0 | 0 | 109.4 | R327 K328 R471 | R327-E469 PolarHBondContact N-OE1 3.43Å; K328-E469 HydrophobicContact CB-CB 4.45Å; K328-E469 WeakPolarHBondContact CB-OE2 3.39Å; K328-E469 PolarHBondContact N-OE2 3.43Å; K328-E469 VanDerWaalsContact N-OE2 3.11Å; E469-R471 HydrophobicContact CG-CB 4.08Å; E469-R471 WeakPolarHBondContact OE1-CB 3.26Å; E469-R471 PolarHBondContact OE1-N 3.4Å |
| 470 | T | 69.2 | Low | 73.3 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | trans | -96.7 | -5.3 | -178.5 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | L404 E407 P468 K472 R473 I478 | L404-T470 HydrophobicContact CD2-CG2 3.54Å; E407-T470 VanDerWaalsContact OE2-CB 3.26Å; E407-T470 WeakPolarHBondContact OE2-CB 3.41Å; E407-T470 PolarHBondContact OE2-OG1 3.49Å; P468-T470 PolarHBondContact O-N 2.71Å; T470-K472 PolarHBondContact O-N 3.1Å; T470-R473 PolarHBondContact O-N 3.26Å; T470-I478 HydrophobicContact CG2-CD1 3.88Å | ||
| 471 | R | 65.1 | Low | 72.1 | Confident | 82 Ų | 82 | 57 Ų | 57 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 127.6 | -177.1 | -179.8 | -179.9 | -169.1 | -171.3 | 3.7 | 112.9 | D323 K324 E469 R473 | D323-R471 PolarHBondContact O-NE 3.01Å; D323-R471 PolarHBondContact O-NH2 3.26Å; K324-R471 PolarHBondContact O-NH1 2.91Å; K324-R471 PolarHBondContact O-NH2 2.98Å; E469-R471 HydrophobicContact CG-CB 4.08Å; E469-R471 WeakPolarHBondContact OE1-CB 3.26Å; E469-R471 PolarHBondContact OE1-N 3.4Å; R471-R473 PolarHBondContact O-N 2.86Å; R471-R473 VanDerWaalsContact O-N 3.16Å |
| 472 | K | 61.3 | Low | 70.9 | Confident | 185 Ų | 185 | 53.1 Ų | 53.1 | 80% | 0.804 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 17.9 | 177.2 | -64.6 | 177.7 | 179.8 | -177.9 | 0 | 114.1 | T470 | T470-K472 PolarHBondContact O-N 3.1Š|
| 473 | R | 64.9 | Low | 69.5 | Low | 118 Ų | 118 | 59.6 Ų | 59.6 | 45% | 0.445 | 29% | 0.285 | S | S | . | . | trans | -95.7 | 144.6 | 174.9 | -60.8 | -61.3 | -178.9 | 173.4 | -0.5 | 110.4 | T470 R471 E477 I478 F488 | T470-R473 PolarHBondContact O-N 3.26Å; R471-R473 PolarHBondContact O-N 2.86Å; R471-R473 VanDerWaalsContact O-N 3.16Å; R473-E477 VanDerWaalsContact CA-OE2 3.22Å; R473-E477 WeakPolarHBondContact CA-OE2 3.28Å; R473-E477 HydrophobicContact CB-CB 4.42Å; R473-E477 WeakPolarHBondContact CB-OE2 3.38Å; R473-E477 WeakPolarHBondContact CD-OE2 3.32Å; R473-E477 IonicContact NH1-OE2 3.4Å; R473-I478 HydrophobicContact CB-CD1 4.31Å; R473-I478 HydrophobicContact CB-CG1 4.02Å; R473-F488 HydrophobicContact CG-CD1 4.38Å; R473-F488 HydrophobicContact CG-CE1 4.37Å | ||
| 474 | S | 64.4 | Low | 68.1 | Low | 48 Ų | 48 | 62.8 Ų | 62.8 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | trans | -74.1 | 156.5 | 173 | 83.3 | 0 | 0 | 0 | 0 | 110.3 | E476 E477 I478 | S474-E476 PolarHBondContact O-N 3.48Å; S474-E476 PolarHBondContact OG-N 3.47Å; S474-E477 PolarHBondContact N-OE2 2.9Å; S474-E477 WeakPolarHBondContact O-CB 3.48Å; S474-E477 PolarHBondContact O-N 2.75Å; S474-E477 VanDerWaalsContact O-N 3.12Å; S474-E477 WeakPolarHBondContact OG-CG 3.22Å; S474-E477 PolarHBondContact OG-N 3Å; S474-I478 WeakPolarHBondContact O-CG1 3.43Å; S474-I478 PolarHBondContact O-N 2.69Å; S474-I478 VanDerWaalsContact O-N 3.11Å | ||
| 475 | L | 58.7 | Low | 66.9 | Low | 67 Ų | 67 | 63.3 Ų | 63.3 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.5 | -33 | 175.3 | -67.2 | 173.6 | 0 | 0 | 0 | 111.6 | E407 I478 E479 | E407-L475 HydrophobicContact CB-CD2 4.18Å; E407-L475 HydrophobicContact CG-CD2 4.23Å; L475-I478 PolarHBondContact O-N 3.31Å; L475-E479 WeakPolarHBondContact O-CB 3.29Å; L475-E479 PolarHBondContact O-N 3.08Å |
| 476 | E | 60.8 | Low | 65.8 | Low | 129 Ų | 129 | 66.4 Ų | 66.4 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -72.2 | -34.7 | 177.8 | -63.6 | 170.7 | -168.3 | 0 | 0 | 112.1 | S474 N480 | S474-E476 PolarHBondContact O-N 3.48Å; S474-E476 PolarHBondContact OG-N 3.47Å; E476-N480 VanDerWaalsContact O-CB 3.3Å; E476-N480 WeakPolarHBondContact O-CB 3.19Å; E476-N480 PolarHBondContact O-N 3.41Å; E476-N480 PolarHBondContact O-ND2 3.15Å |
| 477 | E | 61.8 | Low | 64.3 | Low | 44 Ų | 44 | 67.6 Ų | 67.6 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | 172.8 | -73.7 | 174.4 | 168.4 | 0 | 0 | 111.8 | R473 S474 N480 Y481 I490 | R473-E477 VanDerWaalsContact CA-OE2 3.22Å; R473-E477 WeakPolarHBondContact CA-OE2 3.28Å; R473-E477 HydrophobicContact CB-CB 4.42Å; R473-E477 WeakPolarHBondContact CB-OE2 3.38Å; R473-E477 WeakPolarHBondContact CD-OE2 3.32Å; R473-E477 IonicContact NH1-OE2 3.4Å; S474-E477 PolarHBondContact N-OE2 2.9Å; S474-E477 WeakPolarHBondContact O-CB 3.48Å; S474-E477 PolarHBondContact O-N 2.75Å; S474-E477 VanDerWaalsContact O-N 3.12Å; S474-E477 WeakPolarHBondContact OG-CG 3.22Å; S474-E477 PolarHBondContact OG-N 3Å; E477-N480 PolarHBondContact O-N 3.42Å; E477-Y481 WeakPolarHBondContact O-CB 3.25Å; E477-Y481 PolarHBondContact O-N 3.3Å; E477-I490 HydrophobicContact CG-CD1 3.61Å; E477-I490 HydrophobicContact CG-CG1 3.9Å |
| 478 | I | 65.3 | Low | 63.1 | Low | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.7 | -43.3 | 176.5 | -63.3 | 167.6 | 0 | 0 | 0 | 110 | E407 T470 R473 S474 L475 N480 Y481 F482 | E407-I478 HydrophobicContact CB-CD1 4.43Å; T470-I478 HydrophobicContact CG2-CD1 3.88Å; R473-I478 HydrophobicContact CB-CD1 4.31Å; R473-I478 HydrophobicContact CB-CG1 4.02Å; S474-I478 WeakPolarHBondContact O-CG1 3.43Å; S474-I478 PolarHBondContact O-N 2.69Å; S474-I478 VanDerWaalsContact O-N 3.11Å; L475-I478 PolarHBondContact O-N 3.31Å; I478-N480 VanDerWaalsContact C-N 3.31Å; I478-N480 PolarHBondContact O-N 2.95Å; I478-Y481 WeakPolarHBondContact O-CB 3.42Å; I478-Y481 PolarHBondContact O-N 3.11Å; I478-F482 HydrophobicContact CG2-CD2 4.12Å; I478-F482 HydrophobicContact CG2-CE2 3.77Å; I478-F482 WeakPolarHBondContact O-CD2 3.2Å; I478-F482 PolarHBondContact O-N 3.34Å |
| 479 | E | 62.5 | Low | 61.7 | Low | 57 Ų | 57 | 74.2 Ų | 74.2 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174 | -172.7 | 167.6 | -177 | 0 | 0 | 111.1 | L475 Y481 F482 R483 | L475-E479 WeakPolarHBondContact O-CB 3.29Å; L475-E479 PolarHBondContact O-N 3.08Å; E479-Y481 PolarHBondContact O-N 3.09Å; E479-F482 PolarHBondContact O-N 3.27Å; E479-R483 WeakPolarHBondContact O-CB 3.43Å; E479-R483 PolarHBondContact O-N 2.79Å |
| 480 | N | 62.2 | Low | 60.2 | Low | 34 Ų | 34 | 74.9 Ų | 74.9 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 174 | -80.8 | -29.3 | 0 | 0 | 0 | 112.7 | E476 E477 I478 F482 R483 T484 | E476-N480 VanDerWaalsContact O-CB 3.3Å; E476-N480 WeakPolarHBondContact O-CB 3.19Å; E476-N480 PolarHBondContact O-N 3.41Å; E476-N480 PolarHBondContact O-ND2 3.15Å; E477-N480 PolarHBondContact O-N 3.42Å; I478-N480 VanDerWaalsContact C-N 3.31Å; I478-N480 PolarHBondContact O-N 2.95Å; N480-F482 VanDerWaalsContact C-N 3.27Å; N480-F482 PolarHBondContact O-N 3.2Å; N480-R483 CarbonylContact O-C 3.58Å; N480-R483 WeakPolarHBondContact O-CA 3.06Å; N480-R483 WeakPolarHBondContact O-CB 3.45Å; N480-R483 PolarHBondContact O-N 3.07Å; N480-T484 WeakPolarHBondContact O-CG2 3.47Å; N480-T484 PolarHBondContact O-N 3.49Å; N480-T484 PolarHBondContact O-OG1 2.63Å |
| 481 | Y | 67.1 | Low | 58.7 | Low | 32 Ų | 32 | 85.5 Ų | 85.5 | 13% | 0.125 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.2 | -42 | 174.3 | 173.3 | -87.4 | 0 | 0 | 0 | 112.1 | P468 E477 I478 E479 G485 R486 F488 | P468-Y481 HydrophobicContact CB-CD1 4.33Å; P468-Y481 HydrophobicContact CB-CE1 3.77Å; P468-Y481 HydrophobicContact CB-CE2 4.47Å; P468-Y481 HydrophobicContact CG-CE1 4.13Å; E477-Y481 WeakPolarHBondContact O-CB 3.25Å; E477-Y481 PolarHBondContact O-N 3.3Å; I478-Y481 WeakPolarHBondContact O-CB 3.42Å; I478-Y481 PolarHBondContact O-N 3.11Å; E479-Y481 PolarHBondContact O-N 3.09Å; Y481-G485 PolarHBondContact O-N 3.24Å; Y481-R486 VanDerWaalsContact CD2-C 3.43Å; Y481-R486 HydrophobicContact CD2-CB 4.33Å; Y481-R486 HydrophobicContact CE1-CB 4.3Å; Y481-R486 HydrophobicContact CE1-CG 4.09Å; Y481-R486 VanDerWaalsContact CE2-C 3.41Å; Y481-R486 HydrophobicContact CE2-CB 3.59Å; Y481-R486 HydrophobicContact CE2-CG 4.23Å; Y481-R486 VanDerWaalsContact CE2-O 3.25Å; Y481-R486 WeakPolarHBondContact CE2-O 3.45Å; Y481-R486 PolarHBondContact O-N 3.02Å; Y481-R486 WeakPolarHBondContact OH-CG 3.45Å; Y481-F488 AromaticContact CD2-CD1 3.73Å; Y481-F488 HydrophobicContact CD2-CD1 3.73Å; Y481-F488 AromaticContact CD2-CD2 3.76Å; Y481-F488 HydrophobicContact CD2-CD2 3.76Å; Y481-F488 AromaticContact CD2-CE1 3.51Å; Y481-F488 HydrophobicContact CD2-CE1 3.51Å; Y481-F488 AromaticContact CD2-CE2 3.53Å; Y481-F488 HydrophobicContact CD2-CE2 3.53Å; Y481-F488 AromaticContact CD2-CG 3.86Å; Y481-F488 HydrophobicContact CD2-CG 3.86Å; Y481-F488 AromaticContact CD2-CZ 3.41Å; Y481-F488 HydrophobicContact CD2-CZ 3.41Å; Y481-F488 VanDerWaalsContact CD2-CZ 3.41Å; Y481-F488 HydrophobicContact CE2-CD2 4.09Å; Y481-F488 HydrophobicContact CE2-CE1 4.15Å; Y481-F488 AromaticContact CE2-CE2 3.52Å; Y481-F488 HydrophobicContact CE2-CE2 3.52Å; Y481-F488 AromaticContact CE2-CZ 3.56Å; Y481-F488 HydrophobicContact CE2-CZ 3.56Å; Y481-F488 HydrophobicContact CG-CD1 4.14Å; Y481-F488 AromaticContact CG-CE1 3.85Å; Y481-F488 HydrophobicContact CG-CE1 3.85Å; Y481-F488 HydrophobicContact CG-CZ 4.1Å |
| 482 | F | 65.3 | Low | 57.3 | Low | 23 Ų | 23 | 88.9 Ų | 88.9 | 10% | 0.101 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -74.6 | -27.7 | 175.4 | -70.2 | -69.7 | 0 | 0 | 0 | 112.8 | P264 I267 V408 P468 I478 E479 N480 | P264-F482 HydrophobicContact CB-CD2 4.47Å; P264-F482 HydrophobicContact CG-CB 3.88Å; P264-F482 HydrophobicContact CG-CD1 4.02Å; P264-F482 HydrophobicContact CG-CD2 4Å; P264-F482 HydrophobicContact CG-CG 3.7Å; I267-F482 HydrophobicContact CD1-CE1 3.66Å; I267-F482 HydrophobicContact CD1-CZ 4.3Å; V408-F482 HydrophobicContact CB-CE2 4.46Å; V408-F482 HydrophobicContact CG1-CE2 3.73Å; V408-F482 HydrophobicContact CG1-CZ 3.8Å; V408-F482 HydrophobicContact CG2-CE2 4.4Å; P468-F482 HydrophobicContact CG-CE2 4.49Å; P468-F482 HydrophobicContact CG-CZ 3.99Å; I478-F482 HydrophobicContact CG2-CD2 4.12Å; I478-F482 HydrophobicContact CG2-CE2 3.77Å; I478-F482 WeakPolarHBondContact O-CD2 3.2Å; I478-F482 PolarHBondContact O-N 3.34Å; E479-F482 PolarHBondContact O-N 3.27Å; N480-F482 VanDerWaalsContact C-N 3.27Å; N480-F482 PolarHBondContact O-N 3.2Å |
| 483 | R | 60.8 | Low | 55.9 | Low | 167 Ų | 167 | 87 Ų | 87 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -75.7 | -36.8 | 177.4 | -164.3 | 175.6 | -177.3 | -170.5 | 1.3 | 113.9 | I260 E479 N480 | I260-R483 HydrophobicContact CD1-CG 4.04Å; I260-R483 HydrophobicContact CG1-CG 4.29Å; I260-R483 HydrophobicContact CG2-CB 4.23Å; I260-R483 HydrophobicContact CG2-CG 4.19Å; E479-R483 WeakPolarHBondContact O-CB 3.43Å; E479-R483 PolarHBondContact O-N 2.79Å; N480-R483 CarbonylContact O-C 3.58Å; N480-R483 WeakPolarHBondContact O-CA 3.06Å; N480-R483 WeakPolarHBondContact O-CB 3.45Å; N480-R483 PolarHBondContact O-N 3.07Å |
| 484 | T | 59.4 | Low | 54.1 | Low | 69 Ų | 69 | 88.6 Ų | 88.6 | 42% | 0.423 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -96 | -2.8 | -174.7 | 58.1 | 0 | 0 | 0 | 0 | 114 | N480 T487 | N480-T484 WeakPolarHBondContact O-CG2 3.47Å; N480-T484 PolarHBondContact O-N 3.49Å; N480-T484 PolarHBondContact O-OG1 2.63Å; T484-T487 PolarHBondContact OG1-N 3.08Å; T484-T487 PolarHBondContact OG1-O 3.34Å; T484-T487 PolarHBondContact OG1-OG1 3.19Å |
| 485 | G | 59.3 | Low | 52.6 | Low | 49 Ų | 49 | 91.7 Ų | 91.7 | 51% | 0.505 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 50.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y481 | Y481-G485 PolarHBondContact O-N 3.24Š|
| 486 | R | 62 | Low | 51.2 | Low | 163 Ų | 163 | 93.7 Ų | 93.7 | 62% | 0.615 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 85.6 | 21.2 | 174.2 | -50.3 | 179.4 | 166.5 | 152.6 | -6.6 | 117.1 | Y481 | Y481-R486 VanDerWaalsContact CD2-C 3.43Å; Y481-R486 HydrophobicContact CD2-CB 4.33Å; Y481-R486 HydrophobicContact CE1-CB 4.3Å; Y481-R486 HydrophobicContact CE1-CG 4.09Å; Y481-R486 VanDerWaalsContact CE2-C 3.41Å; Y481-R486 HydrophobicContact CE2-CB 3.59Å; Y481-R486 HydrophobicContact CE2-CG 4.23Å; Y481-R486 VanDerWaalsContact CE2-O 3.25Å; Y481-R486 WeakPolarHBondContact CE2-O 3.45Å; Y481-R486 PolarHBondContact O-N 3.02Å; Y481-R486 WeakPolarHBondContact OH-CG 3.45Å |
| 487 | T | 50 | Low | 49.8 | Very low | 71 Ų | 71 | 93.5 Ų | 93.5 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | trans | -106.8 | 123.5 | 171.3 | 6.5 | 0 | 0 | 0 | 0 | 110.9 | T484 T489 | T484-T487 PolarHBondContact OG1-N 3.08Å; T484-T487 PolarHBondContact OG1-O 3.34Å; T484-T487 PolarHBondContact OG1-OG1 3.19Å; T487-T489 PolarHBondContact O-N 2.99Å | ||
| 488 | F | 54.7 | Low | 48.7 | Very low | 56 Ų | 56 | 98 Ų | 98 | 25% | 0.246 | 51% | 0.508 | C | S | . | . | trans | -76.5 | 7.4 | -179.1 | -70.7 | -77.4 | 0 | 0 | 0 | 114.5 | P468 R473 Y481 | P468-F488 HydrophobicContact CB-CZ 4.2Å; R473-F488 HydrophobicContact CG-CD1 4.38Å; R473-F488 HydrophobicContact CG-CE1 4.37Å; Y481-F488 AromaticContact CD2-CD1 3.73Å; Y481-F488 HydrophobicContact CD2-CD1 3.73Å; Y481-F488 AromaticContact CD2-CD2 3.76Å; Y481-F488 HydrophobicContact CD2-CD2 3.76Å; Y481-F488 AromaticContact CD2-CE1 3.51Å; Y481-F488 HydrophobicContact CD2-CE1 3.51Å; Y481-F488 AromaticContact CD2-CE2 3.53Å; Y481-F488 HydrophobicContact CD2-CE2 3.53Å; Y481-F488 AromaticContact CD2-CG 3.86Å; Y481-F488 HydrophobicContact CD2-CG 3.86Å; Y481-F488 AromaticContact CD2-CZ 3.41Å; Y481-F488 HydrophobicContact CD2-CZ 3.41Å; Y481-F488 VanDerWaalsContact CD2-CZ 3.41Å; Y481-F488 HydrophobicContact CE2-CD2 4.09Å; Y481-F488 HydrophobicContact CE2-CE1 4.15Å; Y481-F488 AromaticContact CE2-CE2 3.52Å; Y481-F488 HydrophobicContact CE2-CE2 3.52Å; Y481-F488 AromaticContact CE2-CZ 3.56Å; Y481-F488 HydrophobicContact CE2-CZ 3.56Å; Y481-F488 HydrophobicContact CG-CD1 4.14Å; Y481-F488 AromaticContact CG-CE1 3.85Å; Y481-F488 HydrophobicContact CG-CE1 3.85Å; Y481-F488 HydrophobicContact CG-CZ 4.1Å | ||
| 489 | T | 43.8 | Very low | 47 | Very low | 96 Ų | 96 | 102.4 Ų | 102.4 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | trans | -83 | 120.7 | -174.1 | 15.2 | 0 | 0 | 0 | 0 | 111.9 | T487 R491 | T487-T489 PolarHBondContact O-N 2.99Å; T489-R491 PolarHBondContact O-N 2.76Å | ||
| 490 | I | 44.9 | Very low | 45.7 | Very low | 76 Ų | 76 | 108.7 Ų | 108.7 | 39% | 0.39 | 59% | 0.589 | S | S | . | * | trans | -75 | 109.2 | 164.3 | -59.4 | 169.2 | 0 | 0 | 0 | 106.9 | E477 Q492 | E477-I490 HydrophobicContact CG-CD1 3.61Å; E477-I490 HydrophobicContact CG-CG1 3.9Å; I490-Q492 PolarHBondContact O-N 3.34Å; I490-Q492 VanDerWaalsContact O-N 3.09Å | ||
| 491 | R | 38.5 | Very low | 44.8 | Very low | 226 Ų | 226 | 112.5 Ų | 112.5 | 85% | 0.853 | 61% | 0.61 | S | S | * | * | trans | -70.4 | 102.8 | 161.4 | -83.6 | -171 | 177.8 | -173.8 | -0.2 | 107 | T489 N493 | T489-R491 PolarHBondContact O-N 2.76Å; R491-N493 VanDerWaalsContact C-N 3.31Å; R491-N493 PolarHBondContact O-N 3.43Å | ||
| 492 | Q | 34.6 | Very low | 43.7 | Very low | 154 Ų | 154 | 116.7 Ų | 116.7 | 72% | 0.72 | 64% | 0.635 | S | S | * | * | trans | -63.5 | 100.6 | 160.5 | -78.7 | -177.6 | -20.3 | 0 | 0 | 106.5 | I490 H494 | I490-Q492 PolarHBondContact O-N 3.34Å; I490-Q492 VanDerWaalsContact O-N 3.09Å; Q492-H494 PolarHBondContact O-N 3.48Å | ||
| 493 | N | 32.2 | Very low | 42.5 | Very low | 144 Ų | 144 | 121.9 Ų | 121.9 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | trans | -67 | 93 | 160.8 | -80.9 | -1.2 | 0 | 0 | 0 | 105.8 | R491 P495 | R491-N493 VanDerWaalsContact C-N 3.31Å; R491-N493 PolarHBondContact O-N 3.43Å; N493-P495 WeakPolarHBondContact O-CD 3.5Å | ||
| 494 | H | 27.7 | Very low | 41.4 | Very low | 152 Ų | 152 | 119.2 Ų | 119.2 | 70% | 0.704 | 67% | 0.667 | S | S | * | * | trans | -56 | 124.3 | 154.1 | -85.9 | -73.3 | 0 | 0 | 0 | 106.1 | Q492 S496 | Q492-H494 PolarHBondContact O-N 3.48Å; H494-S496 VanDerWaalsContact C-N 3.31Å; H494-S496 PolarHBondContact O-N 3.12Å | ||
| 495 | P | 33 | Very low | 40.3 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | -59.6 | 107.7 | 162.5 | 24.4 | -27.9 | 0 | 0 | 0 | 105.1 | N493 V497 | N493-P495 WeakPolarHBondContact O-CD 3.5Å; P495-V497 VanDerWaalsContact C-N 3.32Å; P495-V497 PolarHBondContact O-N 2.81Å | ||
| 496 | S | 29 | Very low | 39 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | trans | -57 | 105.9 | 168 | 43.4 | 0 | 0 | 0 | 0 | 105.8 | H494 V498 | H494-S496 VanDerWaalsContact C-N 3.31Å; H494-S496 PolarHBondContact O-N 3.12Å; S496-V498 PolarHBondContact O-N 3.07Å; S496-V498 VanDerWaalsContact O-N 3.09Å | ||
| 497 | V | 32.5 | Very low | 37.4 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 76% | 0.758 | 70% | 0.7 | S | S | * | * | trans | -47.5 | 117 | 165.1 | 172.4 | 0 | 0 | 0 | 0 | 105.9 | P495 S499 | P495-V497 VanDerWaalsContact C-N 3.32Å; P495-V497 PolarHBondContact O-N 2.81Å; V497-S499 PolarHBondContact O-N 3.35Å; V497-S499 VanDerWaalsContact O-N 3.12Å | ||
| 498 | V | 38 | Very low | 36.4 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | trans | -55.9 | 114.7 | 163.2 | 174.6 | 0 | 0 | 0 | 0 | 105.9 | S496 | S496-V498 PolarHBondContact O-N 3.07Å; S496-V498 VanDerWaalsContact O-N 3.09Å | ||
| 499 | S | 30.1 | Very low | 34.9 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | -127.8 | 116.3 | 166.2 | 61.1 | 0 | 0 | 0 | 0 | 108.3 | V497 | V497-S499 PolarHBondContact O-N 3.35Å; V497-S499 VanDerWaalsContact O-N 3.12Å | ||
| 500 | S | 34 | Very low | 34.1 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 100% | 1.329 | 78% | 0.775 | S | S | * | * | trans | 63.3 | 0 | 170.9 | 57.7 | 0 | 0 | 0 | 0 | 117.8 |
Retrieved 500 of 500 residues in 991.1 ms
(Link to these results)