| 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 | D | 36.7 | Very low | 33.3 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 94% | 0.936 | 70% | 0.701 | S | S | * | * | 0 | 106.8 | 0 | -169.8 | -7.6 | 0 | 0 | 0 | 107.9 | F3 | D1-F3 PolarHBondContact O-N 3.18Å; D1-F3 PolarHBondContact OD1-N 3.44Å | |||
| 2 | P | 33.4 | Very low | 34 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 81% | 0.805 | 66% | 0.659 | S | S | * | * | trans | -77.7 | 8.8 | -172.2 | 33.1 | -32.5 | 0 | 0 | 0 | 113.3 | Q4 | P2-Q4 VanDerWaalsContact C-N 3.33Å; P2-Q4 PolarHBondContact O-N 3.45Å | ||
| 3 | F | 30.8 | Very low | 35 | Very low | 167 Ų | 167 | 110.9 Ų | 110.9 | 73% | 0.732 | 61% | 0.609 | S | S | * | * | trans | -94.6 | 37.9 | 173.2 | -67.5 | -75.6 | 0 | 0 | 0 | 113.8 | D1 K5 | D1-F3 PolarHBondContact O-N 3.18Å; D1-F3 PolarHBondContact OD1-N 3.44Å; F3-K5 PolarHBondContact O-N 3.37Å | ||
| 4 | Q | 28.6 | Very low | 36.4 | Very low | 179 Ų | 179 | 103.4 Ų | 103.4 | 84% | 0.836 | 57% | 0.568 | S | S | * | * | trans | -69.1 | 86.4 | 153.7 | -114.2 | -179.9 | -7.7 | 0 | 0 | 107.1 | P2 V6 | P2-Q4 VanDerWaalsContact C-N 3.33Å; P2-Q4 PolarHBondContact O-N 3.45Å; Q4-V6 PolarHBondContact O-N 2.91Å | ||
| 5 | K | 28.1 | Very low | 37.8 | Very low | 195 Ų | 195 | 96.8 Ų | 96.8 | 85% | 0.848 | 53% | 0.531 | S | S | * | . | trans | -51.8 | 92.6 | 162.4 | -77.4 | 179.1 | 176.4 | 176.6 | 0 | 106.8 | F3 S7 | F3-K5 PolarHBondContact O-N 3.37Å; K5-S7 VanDerWaalsContact C-N 3.27Å; K5-S7 PolarHBondContact O-N 2.69Å | ||
| 6 | V | 28.8 | Very low | 39 | Very low | 120 Ų | 120 | 91 Ų | 91 | 73% | 0.727 | 50% | 0.499 | S | S | * | . | trans | -58.7 | 103.9 | 158.2 | -178.2 | 0 | 0 | 0 | 0 | 103.6 | Q4 P8 | Q4-V6 PolarHBondContact O-N 2.91Å; V6-P8 WeakPolarHBondContact O-CD 3.36Å | ||
| 7 | S | 30 | Very low | 40.4 | Very low | 62 Ų | 62 | 85.8 Ų | 85.8 | 43% | 0.434 | 47% | 0.47 | S | S | . | . | trans | -46 | 119.5 | 171.5 | 166.2 | 0 | 0 | 0 | 0 | 106.9 | K5 F9 | K5-S7 VanDerWaalsContact C-N 3.27Å; K5-S7 PolarHBondContact O-N 2.69Å; S7-F9 PolarHBondContact O-N 2.76Å; S7-F9 PolarHBondContact OG-N 3.28Å | ||
| 8 | P | 36.4 | Very low | 41.4 | Very low | 112 Ų | 112 | 81.4 Ų | 81.4 | 73% | 0.727 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -1.1 | -177.9 | -8 | 17.4 | 0 | 0 | 0 | 113.1 | V6 | V6-P8 WeakPolarHBondContact O-CD 3.36Š|
| 9 | F | 40.2 | Very low | 42.4 | Very low | 108 Ų | 108 | 79.8 Ų | 79.8 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 21.3 | -167.9 | -65.7 | -77.8 | 0 | 0 | 0 | 114.3 | S7 A11 F365 | S7-F9 PolarHBondContact O-N 2.76Å; S7-F9 PolarHBondContact OG-N 3.28Å; F9-A11 PolarHBondContact O-N 2.83Å; F9-F365 HydrophobicContact CB-CE1 4.16Å; F9-F365 HydrophobicContact CD1-CD1 4.06Å; F9-F365 HydrophobicContact CD1-CE1 4.08Å; F9-F365 HydrophobicContact CE1-CD1 4.5Å; F9-F365 HydrophobicContact CG-CE1 4.32Å |
| 10 | T | 37.6 | Very low | 44.3 | Very low | 118 Ų | 118 | 75.8 Ų | 75.8 | 72% | 0.724 | 41% | 0.412 | S | S | * | . | trans | -68.8 | 10.6 | 170.3 | 46.8 | 0 | 0 | 0 | 0 | 114.2 | A12 | T10-A12 VanDerWaalsContact C-N 3.32Å; T10-A12 PolarHBondContact O-N 3.48Å | ||
| 11 | A | 36.1 | Very low | 45.7 | Very low | 57 Ų | 57 | 73.7 Ų | 73.7 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | trans | -82.1 | 80 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F9 E13 N101 | F9-A11 PolarHBondContact O-N 2.83Å; A11-E13 PolarHBondContact O-N 3.44Å; A11-N101 VanDerWaalsContact CB-ND2 3.32Å; A11-N101 WeakPolarHBondContact CB-ND2 3.24Å; A11-N101 PolarHBondContact O-ND2 2.92Å | ||
| 12 | A | 40.8 | Very low | 47.4 | Very low | 24 Ų | 24 | 68.4 Ų | 68.4 | 20% | 0.198 | 38% | 0.377 | C | S | . | . | trans | -47.3 | 129.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114 | T10 H14 K44 | T10-A12 VanDerWaalsContact C-N 3.32Å; T10-A12 PolarHBondContact O-N 3.48Å; A12-H14 PolarHBondContact O-CD2 3.27Å; A12-K44 HydrophobicContact CB-CB 3.49Å; A12-K44 VanDerWaalsContact CB-CB 3.49Å | ||
| 13 | E | 47.2 | Very low | 49.2 | Very low | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | trans | -91.5 | 144.3 | -166.3 | -57.9 | 154.7 | 161.4 | 0 | 0 | 113.5 | A11 F15 H43 K44 N101 Y364 | A11-E13 PolarHBondContact O-N 3.44Å; E13-F15 HydrophobicContact CB-CE2 4.46Å; E13-H43 IonicContact OE1-CE1 2.66Å; E13-H43 IonicContact OE2-CD2 2.7Å; E13-H43 IonicContact OE2-CE1 3.91Å; E13-H43 PolarHBondContact OE2-CE1 3.42Å; E13-H43 VanDerWaalsContact OE2-CE1 3.29Å; E13-H43 IonicContact OE2-CG 3.65Å; E13-H43 IonicContact OE2-ND1 3.53Å; E13-H43 PolarHBondContact OE2-ND1 2.83Å; E13-H43 IonicContact OE2-NE2 2.86Å; E13-K44 CarbonylContact O-C 3.58Å; E13-N101 WeakPolarHBondContact CA-OD1 3.34Å; E13-Y364 WeakPolarHBondContact OE1-CB 3.35Å; E13-Y364 WeakPolarHBondContact OE1-CD2 3.41Å; E13-Y364 WeakPolarHBondContact OE2-CD2 3.13Å; E13-Y364 WeakPolarHBondContact OE2-CE2 3.38Å | ||
| 14 | H | 55.5 | Low | 50.9 | Low | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.028 | 36% | 0.357 | C | S | . | . | trans | -120.1 | 111.2 | -165.3 | -76.5 | -67.3 | 0 | 0 | 0 | 113 | A12 K44 I46 E98 V100 L102 | A12-H14 PolarHBondContact O-CD2 3.27Å; H14-K44 VanDerWaalsContact CE1-CD 3.47Å; H14-K44 WeakPolarHBondContact CE1-CD 3.44Å; H14-K44 PolarHBondContact CE1-NZ 2.82Å; H14-K44 PolarHBondContact CE1-O 3.24Å; H14-K44 PolarHBondContact ND1-O 3Å; H14-I46 HydrophobicContact CB-CD1 3.92Å; H14-I46 HydrophobicContact CB-CG1 3.81Å; H14-I46 WeakPolarHBondContact ND1-CG2 3.41Å; H14-E98 PolarHBondContact NE2-O 3.19Å; H14-V100 HydrophobicContact CB-CB 3.84Å; H14-V100 HydrophobicContact CB-CG1 3.59Å; H14-V100 HydrophobicContact CB-CG2 3.34Å; H14-L102 CarbonylContact C-O 3.45Å; H14-L102 PolarHBondContact N-O 3.45Å | ||
| 15 | F | 57.3 | Low | 52.9 | Low | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | trans | -81.1 | 145.8 | -172.1 | -67.7 | -109.8 | 0 | 0 | 0 | 112.9 | E13 L34 L38 V45 I46 V47 H104 Y364 | E13-F15 HydrophobicContact CB-CE2 4.46Å; F15-L34 HydrophobicContact CE1-CD2 4.4Å; F15-L38 HydrophobicContact CE1-CD1 3.75Å; F15-L38 HydrophobicContact CE2-CD1 3.59Å; F15-L38 HydrophobicContact CZ-CD1 3.04Å; F15-L38 HydrophobicContact CZ-CG 4.45Å; F15-V45 HydrophobicContact CB-CG1 3.95Å; F15-V45 HydrophobicContact CD2-CB 3.99Å; F15-V45 HydrophobicContact CD2-CG1 3.35Å; F15-V45 HydrophobicContact CD2-CG2 3.73Å; F15-V45 HydrophobicContact CE2-CG1 4.18Å; F15-V45 HydrophobicContact CE2-CG2 3.75Å; F15-V45 HydrophobicContact CG-CG1 3.8Å; F15-I46 CarbonylContact C-O 3.55Å; F15-I46 VanDerWaalsContact C-O 3.27Å; F15-I46 VanDerWaalsContact CA-O 3.28Å; F15-I46 WeakPolarHBondContact CA-O 3.49Å; F15-I46 WeakPolarHBondContact CB-O 3.19Å; F15-I46 PolarHBondContact N-O 3.4Å; F15-I46 VanDerWaalsContact N-O 3.14Å; F15-I46 CarbonylContact O-C 3.56Å; F15-V47 WeakPolarHBondContact O-CA 3.42Å; F15-H104 HydrophobicContact CD1-CB 3.69Å; F15-H104 HydrophobicContact CE1-CB 3.66Å; F15-H104 AromaticContact CE1-CG 3.92Å; F15-H104 AromaticContact CE1-ND1 3.55Å; F15-H104 HydrophobicContact CZ-CB 4.43Å; F15-Y364 HydrophobicContact CE1-CE2 4.41Å; F15-Y364 AromaticContact CE1-CZ 3.83Å; F15-Y364 WeakPolarHBondContact CE1-OH 3.39Å; F15-Y364 HydrophobicContact CE2-CE2 4.49Å; F15-Y364 AromaticContact CZ-CE2 3.62Å; F15-Y364 HydrophobicContact CZ-CE2 3.62Å; F15-Y364 AromaticContact CZ-CZ 3.47Å; F15-Y364 VanDerWaalsContact CZ-CZ 3.47Å; F15-Y364 WeakPolarHBondContact CZ-OH 3.48Å | ||
| 16 | I | 56.6 | Low | 55.2 | Low | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | trans | -134.7 | 112.9 | 172 | -62 | -177.2 | 0 | 0 | 0 | 108.2 | V48 L95 V103 H104 G105 F110 | I16-V48 HydrophobicContact CB-CB 4.32Å; I16-V48 HydrophobicContact CD1-CG2 4.22Å; I16-V48 HydrophobicContact CG1-CB 4.16Å; I16-V48 HydrophobicContact CG1-CG2 3.82Å; I16-V48 HydrophobicContact CG2-CB 3.79Å; I16-V48 HydrophobicContact CG2-CG1 4.44Å; I16-V48 HydrophobicContact CG2-CG2 4.41Å; I16-L95 HydrophobicContact CD1-CD2 3.51Å; I16-L95 HydrophobicContact CD1-CG 4.24Å; I16-V103 HydrophobicContact CB-CG1 4.02Å; I16-V103 HydrophobicContact CD1-CG1 4.31Å; I16-V103 HydrophobicContact CD1-CG2 3.84Å; I16-V103 HydrophobicContact CG1-CG1 4.34Å; I16-V103 HydrophobicContact CG1-CG2 4.33Å; I16-H104 CarbonylContact C-O 3.51Å; I16-H104 PolarHBondContact N-O 2.99Å; I16-G105 WeakPolarHBondContact O-CA 3.3Å; I16-F110 HydrophobicContact CB-CB 4.47Å; I16-F110 HydrophobicContact CB-CG 4.49Å; I16-F110 HydrophobicContact CD1-CB 4.48Å; I16-F110 HydrophobicContact CD1-CD1 3.52Å; I16-F110 HydrophobicContact CD1-CE1 3.99Å; I16-F110 HydrophobicContact CD1-CG 4.25Å; I16-F110 HydrophobicContact CG2-CB 3.74Å; I16-F110 HydrophobicContact CG2-CD1 3.66Å; I16-F110 HydrophobicContact CG2-CD2 3.73Å; I16-F110 HydrophobicContact CG2-CE1 4.08Å; I16-F110 HydrophobicContact CG2-CE2 4.2Å; I16-F110 HydrophobicContact CG2-CG 3.43Å; I16-F110 VanDerWaalsContact CG2-CG 3.43Å; I16-F110 HydrophobicContact CG2-CZ 4.35Å | ||
| 17 | S | 62.6 | Low | 57.7 | Low | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | trans | -136.1 | 132.2 | 173.2 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | Y19 I31 V48 T49 | S17-Y19 VanDerWaalsContact C-N 3.26Å; S17-Y19 PolarHBondContact O-N 3.48Å; S17-Y19 PolarHBondContact OG-N 3.34Å; S17-Y19 PolarHBondContact OG-O 3.04Å; S17-I31 VanDerWaalsContact CB-CD1 3.44Å; S17-I31 WeakPolarHBondContact OG-CD1 3.39Å; S17-V48 CarbonylContact C-O 3.53Å; S17-V48 CarbonylContact O-C 3.48Å; S17-T49 WeakPolarHBondContact O-CA 3.17Å | ||
| 18 | D | 58.7 | Low | 60.3 | Low | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -74.2 | -12.3 | 178.8 | 62.8 | -33.2 | 0 | 0 | 0 | 114.7 | T49 H50 S107 K109 | D18-T49 PolarHBondContact O-OG1 3.33Å; D18-H50 PolarHBondContact O-ND1 2.97Å; D18-S107 WeakPolarHBondContact OD1-CB 3.09Å; D18-S107 PolarHBondContact OD1-OG 3.19Å; D18-S107 WeakPolarHBondContact OD2-CB 3.39Å; D18-S107 PolarHBondContact OD2-OG 3.42Å; D18-K109 IonicContact OD2-NZ 3.61Å; D18-K109 PolarHBondContact OD2-NZ 3.49Å |
| 19 | Y | 60.9 | Low | 62.4 | Low | 50 Ų | 50 | 39.3 Ų | 39.3 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | trans | -112.6 | 114 | 173.3 | -51.8 | -79.4 | 0 | 0 | 0 | 109.6 | S17 I31 C79 | S17-Y19 VanDerWaalsContact C-N 3.26Å; S17-Y19 PolarHBondContact O-N 3.48Å; S17-Y19 PolarHBondContact OG-N 3.34Å; S17-Y19 PolarHBondContact OG-O 3.04Å; Y19-I31 WeakPolarHBondContact O-CD1 3.32Å; Y19-C79 PolarHBondContact OH-SG 2.93Å | ||
| 20 | F | 80.2 | Confident | 64.7 | Low | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -151 | 178.1 | 174.4 | -155.4 | -126.7 | 0 | 0 | 0 | 111.6 | I31 Y32 V47 T49 Y52 L61 I65 V67 | F20-I31 HydrophobicContact CD2-CB 4.03Å; F20-I31 HydrophobicContact CD2-CG2 3.68Å; F20-I31 HydrophobicContact CE2-CB 3.99Å; F20-I31 HydrophobicContact CE2-CG2 3.55Å; F20-Y32 HydrophobicContact CZ-CD2 4.2Å; F20-V47 HydrophobicContact CB-CG1 3.9Å; F20-V47 HydrophobicContact CD1-CB 4.16Å; F20-V47 HydrophobicContact CD1-CG1 3.75Å; F20-V47 HydrophobicContact CD1-CG2 4.48Å; F20-V47 HydrophobicContact CD2-CG1 4.01Å; F20-V47 HydrophobicContact CE1-CB 4.2Å; F20-V47 HydrophobicContact CE1-CG1 4.22Å; F20-V47 HydrophobicContact CE1-CG2 4.12Å; F20-V47 HydrophobicContact CE2-CG1 4.5Å; F20-V47 HydrophobicContact CE2-CG2 4.28Å; F20-V47 HydrophobicContact CG-CB 4.46Å; F20-V47 HydrophobicContact CG-CG1 3.62Å; F20-V47 HydrophobicContact CZ-CG2 4.04Å; F20-T49 HydrophobicContact CB-CG2 4.02Å; F20-Y52 WeakPolarHBondContact O-CE2 3.31Å; F20-L61 HydrophobicContact CE1-CD1 3.51Å; F20-L61 HydrophobicContact CZ-CD1 3.95Å; F20-I65 HydrophobicContact CE1-CG2 4.31Å; F20-I65 HydrophobicContact CZ-CD1 4.17Å; F20-I65 HydrophobicContact CZ-CG2 4.34Å; F20-V67 HydrophobicContact CD1-CG1 3.94Å; F20-V67 HydrophobicContact CD1-CG2 3.88Å; F20-V67 HydrophobicContact CE1-CG1 4.49Å; F20-V67 HydrophobicContact CE1-CG2 3.58Å | ||
| 21 | C | 72.2 | Confident | 67.1 | Low | 31 Ų | 31 | 29 Ų | 29 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 147 | 173.9 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | Y69 | C21-Y69 WeakPolarHBondContact O-CE1 3.45Å; C21-Y69 PolarHBondContact O-OH 2.86Å |
| 22 | P | 74 | Confident | 69.6 | Low | 64 Ų | 64 | 29.9 Ų | 29.9 | 42% | 0.416 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -84.4 | -5.4 | 13.4 | 35.6 | -35.5 | 0 | 0 | 0 | 114.5 | Y52 R55 | P22-Y52 VanDerWaalsContact CD-CD2 3.47Å; P22-Y52 HydrophobicContact CG-CD2 4.48Å; P22-Y52 HydrophobicContact CG-CG 4.28Å; P22-R55 HydrophobicContact CG-CG 4.09Å |
| 23 | N | 70.8 | Confident | 72 | Confident | 53 Ų | 53 | 30.2 Ų | 30.2 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -61.9 | 143.7 | 174.6 | -78.7 | -8 | 0 | 0 | 0 | 110.8 | E28 Y52 | N23-E28 HydrophobicContact CB-CG 4.39Å; N23-Y52 WeakPolarHBondContact ND2-CE1 3.34Å; N23-Y52 PolarHBondContact ND2-OH 2.94Å |
| 24 | T | 65.6 | Low | 74.1 | Confident | 136 Ų | 136 | 30.2 Ų | 30.2 | 83% | 0.834 | 18% | 0.182 | S | C | * | . | trans | -117.1 | 115.5 | 179.2 | 52.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 25 | G | 71.9 | Confident | 75.8 | Confident | 27 Ų | 27 | 30 Ų | 30 | 28% | 0.278 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -160.3 | 173.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V27 E28 S29 | G25-V27 VanDerWaalsContact C-N 3.28Å; G25-V27 PolarHBondContact O-N 3.4Å; G25-E28 WeakPolarHBondContact CA-OE2 3.2Å; G25-E28 PolarHBondContact N-OE2 3.12Å; G25-E28 PolarHBondContact O-N 3.02Å; G25-S29 WeakPolarHBondContact O-CB 3.42Å; G25-S29 PolarHBondContact O-N 3.19Å; G25-S29 PolarHBondContact O-OG 3.35Å |
| 26 | G | 76.7 | Confident | 77.4 | Confident | 43 Ų | 43 | 30.9 Ų | 30.9 | 44% | 0.443 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.5 | -37.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H30 | G26-H30 VanDerWaalsContact O-CB 3.23Å; G26-H30 WeakPolarHBondContact O-CB 3.44Å; G26-H30 PolarHBondContact O-N 3.44Å |
| 27 | V | 80.5 | Confident | 79.1 | Confident | 35 Ų | 35 | 31.6 Ų | 31.6 | 21% | 0.212 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.1 | -45 | 179.6 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | G25 S29 H30 I31 H106 H126 | G25-V27 VanDerWaalsContact C-N 3.28Å; G25-V27 PolarHBondContact O-N 3.4Å; V27-S29 PolarHBondContact O-N 3.28Å; V27-H30 WeakPolarHBondContact O-CB 3.49Å; V27-H30 PolarHBondContact O-N 3.14Å; V27-H30 VanDerWaalsContact O-N 3.16Å; V27-I31 HydrophobicContact CG1-CD1 3.71Å; V27-I31 HydrophobicContact CG1-CG1 4.48Å; V27-I31 VanDerWaalsContact O-CD1 3.3Å; V27-I31 WeakPolarHBondContact O-CD1 3.32Å; V27-I31 VanDerWaalsContact O-CG1 3.26Å; V27-I31 WeakPolarHBondContact O-CG1 3.41Å; V27-I31 PolarHBondContact O-N 3.5Å; V27-H106 HydrophobicContact CG1-CB 4.01Å; V27-H126 HydrophobicContact CG2-CB 4.02Å |
| 28 | E | 83.7 | Confident | 80.5 | Confident | 25 Ų | 25 | 31.5 Ų | 31.5 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 178.4 | -60.9 | 89.5 | 155 | 0 | 0 | 111.5 | N23 G25 H30 I31 Y32 | N23-E28 HydrophobicContact CB-CG 4.39Å; G25-E28 WeakPolarHBondContact CA-OE2 3.2Å; G25-E28 PolarHBondContact N-OE2 3.12Å; G25-E28 PolarHBondContact O-N 3.02Å; E28-H30 VanDerWaalsContact C-N 3.34Å; E28-I31 PolarHBondContact O-N 3.11Å; E28-Y32 WeakPolarHBondContact O-CB 3.36Å; E28-Y32 PolarHBondContact O-N 3.16Å |
| 29 | S | 82.2 | Confident | 82.1 | Confident | 30 Ų | 30 | 34 Ų | 34 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 173.2 | -73 | 0 | 0 | 0 | 0 | 111.5 | G25 V27 Y32 H33 | G25-S29 WeakPolarHBondContact O-CB 3.42Å; G25-S29 PolarHBondContact O-N 3.19Å; G25-S29 PolarHBondContact O-OG 3.35Å; V27-S29 PolarHBondContact O-N 3.28Å; S29-Y32 PolarHBondContact O-N 3.07Å; S29-H33 WeakPolarHBondContact O-CB 3.37Å; S29-H33 PolarHBondContact O-CD2 2.86Å; S29-H33 PolarHBondContact O-N 3.15Å |
| 30 | H | 87 | Confident | 83.7 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.032 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -50.4 | 176.7 | 168.5 | 105.4 | 0 | 0 | 0 | 111.5 | G26 V27 E28 Y32 H33 L34 H106 H126 N180 W353 | G26-H30 VanDerWaalsContact O-CB 3.23Å; G26-H30 WeakPolarHBondContact O-CB 3.44Å; G26-H30 PolarHBondContact O-N 3.44Å; V27-H30 WeakPolarHBondContact O-CB 3.49Å; V27-H30 PolarHBondContact O-N 3.14Å; V27-H30 VanDerWaalsContact O-N 3.16Å; E28-H30 VanDerWaalsContact C-N 3.34Å; H30-Y32 VanDerWaalsContact C-N 3.33Å; H30-Y32 PolarHBondContact O-N 2.92Å; H30-H33 PolarHBondContact O-N 2.91Å; H30-L34 WeakPolarHBondContact O-CB 3.36Å; H30-L34 PolarHBondContact O-N 3.34Å; H30-H106 AromaticContact CD2-CD2 3.74Å; H30-H106 AromaticContact CD2-NE2 3.13Å; H30-H106 PolarHBondContact CD2-NE2 3.46Å; H30-H106 AromaticContact NE2-CD2 3.98Å; H30-H106 AromaticContact NE2-NE2 3.07Å; H30-H106 PolarHBondContact NE2-NE2 3.44Å; H30-H126 AromaticContact CD2-CE1 3.98Å; H30-H126 AromaticContact CD2-NE2 3.87Å; H30-H126 AromaticContact CE1-CE1 3.82Å; H30-H126 AromaticContact CG-CE1 3.77Å; H30-H126 AromaticContact ND1-CE1 3.67Å; H30-H126 AromaticContact NE2-CE1 4Å; H30-H126 AromaticContact NE2-NE2 3.85Å; H30-N180 PolarHBondContact CE1-OD1 3.23Å; H30-N180 PolarHBondContact ND1-OD1 3.27Å; H30-W353 VanDerWaalsContact CA-CH2 3.46Å; H30-W353 HydrophobicContact CB-CH2 3.88Å; H30-W353 AromaticContact CG-CH2 3.9Å; H30-W353 AromaticContact ND1-CH2 3.64Å; H30-W353 AromaticContact ND1-CZ3 3.84Å |
| 31 | I | 89 | Confident | 84.2 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 180 | -62.3 | 152.7 | 0 | 0 | 0 | 110.2 | S17 Y19 F20 V27 E28 H33 A35 V47 H106 | S17-I31 VanDerWaalsContact CB-CD1 3.44Å; S17-I31 WeakPolarHBondContact OG-CD1 3.39Å; Y19-I31 WeakPolarHBondContact O-CD1 3.32Å; F20-I31 HydrophobicContact CD2-CB 4.03Å; F20-I31 HydrophobicContact CD2-CG2 3.68Å; F20-I31 HydrophobicContact CE2-CB 3.99Å; F20-I31 HydrophobicContact CE2-CG2 3.55Å; V27-I31 HydrophobicContact CG1-CD1 3.71Å; V27-I31 HydrophobicContact CG1-CG1 4.48Å; V27-I31 VanDerWaalsContact O-CD1 3.3Å; V27-I31 WeakPolarHBondContact O-CD1 3.32Å; V27-I31 VanDerWaalsContact O-CG1 3.26Å; V27-I31 WeakPolarHBondContact O-CG1 3.41Å; V27-I31 PolarHBondContact O-N 3.5Å; E28-I31 PolarHBondContact O-N 3.11Å; I31-H33 PolarHBondContact O-N 3.35Å; I31-A35 WeakPolarHBondContact O-CB 3.36Å; I31-A35 PolarHBondContact O-N 3.49Å; I31-V47 HydrophobicContact CG2-CG2 4.25Å; I31-H106 HydrophobicContact CD1-CB 4.29Å |
| 32 | Y | 89.1 | Confident | 85.2 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | -179 | 177.3 | -92.3 | 0 | 0 | 0 | 112 | F20 E28 S29 H30 S36 L61 N63 I65 | F20-Y32 HydrophobicContact CZ-CD2 4.2Å; E28-Y32 WeakPolarHBondContact O-CB 3.36Å; E28-Y32 PolarHBondContact O-N 3.16Å; S29-Y32 PolarHBondContact O-N 3.07Å; H30-Y32 VanDerWaalsContact C-N 3.33Å; H30-Y32 PolarHBondContact O-N 2.92Å; Y32-S36 WeakPolarHBondContact O-CB 3.3Å; Y32-S36 PolarHBondContact O-N 3.37Å; Y32-S36 PolarHBondContact O-OG 3.34Å; Y32-L61 HydrophobicContact CD2-CD1 4.25Å; Y32-L61 HydrophobicContact CE2-CD1 4.19Å; Y32-N63 WeakPolarHBondContact CE2-ND2 3.47Å; Y32-I65 HydrophobicContact CD2-CD1 4.35Å |
| 33 | H | 89.5 | Confident | 85.9 | Confident | 32 Ų | 32 | 42.5 Ų | 42.5 | 15% | 0.148 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.4 | -44 | -178.4 | -71.1 | -60.8 | 0 | 0 | 0 | 112.3 | S29 H30 I31 S36 C37 W353 | S29-H33 WeakPolarHBondContact O-CB 3.37Å; S29-H33 PolarHBondContact O-CD2 2.86Å; S29-H33 PolarHBondContact O-N 3.15Å; H30-H33 PolarHBondContact O-N 2.91Å; I31-H33 PolarHBondContact O-N 3.35Å; H33-S36 PolarHBondContact O-N 3.26Å; H33-C37 PolarHBondContact O-N 3.47Å; H33-W353 HydrophobicContact CB-CD2 3.45Å; H33-W353 VanDerWaalsContact CB-CD2 3.45Å; H33-W353 HydrophobicContact CB-CE3 4Å; H33-W353 HydrophobicContact CB-CG 3.79Å; H33-W353 HydrophobicContact CB-CH2 4.16Å; H33-W353 HydrophobicContact CB-CZ2 3.51Å; H33-W353 HydrophobicContact CB-CZ3 4.36Å; H33-W353 AromaticContact CD2-CE2 3.82Å; H33-W353 AromaticContact CD2-CZ2 3.83Å; H33-W353 AromaticContact CD2-NE1 3.57Å; H33-W353 AromaticContact CG-CD1 3.96Å; H33-W353 AromaticContact CG-CE2 3.67Å; H33-W353 AromaticContact CG-CZ2 3.98Å; H33-W353 AromaticContact CG-NE1 3.46Å |
| 34 | L | 91.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 175.6 | 177.8 | 58.4 | 0 | 0 | 0 | 111 | F15 H30 S36 C37 L38 W353 V356 A357 T360 | F15-L34 HydrophobicContact CE1-CD2 4.4Å; H30-L34 WeakPolarHBondContact O-CB 3.36Å; H30-L34 PolarHBondContact O-N 3.34Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 2.97Å; L34-C37 PolarHBondContact O-N 3.35Å; L34-C37 VanDerWaalsContact O-N 3.16Å; L34-L38 HydrophobicContact CD1-CD1 3.78Å; L34-L38 HydrophobicContact CD1-CG 4.03Å; L34-L38 HydrophobicContact CG-CD1 3.74Å; L34-L38 HydrophobicContact CG-CG 4.43Å; L34-L38 VanDerWaalsContact O-CG 3.32Å; L34-L38 WeakPolarHBondContact O-CG 3.25Å; L34-L38 PolarHBondContact O-N 2.96Å; L34-W353 HydrophobicContact CB-CZ3 4.26Å; L34-V356 HydrophobicContact CD1-CG1 4.34Å; L34-A357 HydrophobicContact CD1-CB 4.07Å; L34-T360 HydrophobicContact CD1-CG2 4.44Å; L34-T360 HydrophobicContact CD2-CG2 4.3Å |
| 35 | A | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I31 C37 L38 M39 V45 I65 | I31-A35 WeakPolarHBondContact O-CB 3.36Å; I31-A35 PolarHBondContact O-N 3.49Å; A35-C37 VanDerWaalsContact C-N 3.31Å; A35-C37 PolarHBondContact O-N 3.18Å; A35-L38 PolarHBondContact O-N 2.97Å; A35-M39 WeakPolarHBondContact O-CB 3.48Å; A35-M39 VanDerWaalsContact O-CG 3.26Å; A35-M39 WeakPolarHBondContact O-CG 3.23Å; A35-M39 PolarHBondContact O-N 2.98Å; A35-V45 HydrophobicContact CB-CB 4.25Å; A35-V45 HydrophobicContact CB-CG1 3.5Å; A35-V45 VanDerWaalsContact CB-CG1 3.5Å; A35-V45 HydrophobicContact CB-CG2 4.48Å; A35-I65 HydrophobicContact CB-CD1 3.55Å; A35-I65 HydrophobicContact CB-CG1 4.31Å |
| 36 | S | 91.8 | Very high | 89 | Confident | 23 Ų | 23 | 37.1 Ų | 37.1 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | Y32 H33 L34 K40 N63 | Y32-S36 WeakPolarHBondContact O-CB 3.3Å; Y32-S36 PolarHBondContact O-N 3.37Å; Y32-S36 PolarHBondContact O-OG 3.34Å; H33-S36 PolarHBondContact O-N 3.26Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-S36 PolarHBondContact O-N 2.97Å; S36-K40 WeakPolarHBondContact O-CG 3.29Å; S36-K40 PolarHBondContact O-N 3.03Å; S36-N63 PolarHBondContact OG-ND2 3.3Å |
| 37 | C | 92.7 | Very high | 89.6 | Confident | 20 Ų | 20 | 35 Ų | 35 | 14% | 0.135 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.6 | -39.8 | 178.2 | -73.8 | 0 | 0 | 0 | 0 | 112.3 | H33 L34 A35 M39 K40 L41 A357 | H33-C37 PolarHBondContact O-N 3.47Å; L34-C37 PolarHBondContact O-N 3.35Å; L34-C37 VanDerWaalsContact O-N 3.16Å; A35-C37 VanDerWaalsContact C-N 3.31Å; A35-C37 PolarHBondContact O-N 3.18Å; C37-M39 VanDerWaalsContact C-N 3.3Å; C37-M39 PolarHBondContact O-N 3.47Å; C37-K40 WeakPolarHBondContact O-CA 3.36Å; C37-K40 WeakPolarHBondContact O-CB 3.14Å; C37-K40 PolarHBondContact O-N 2.92Å; C37-L41 PolarHBondContact O-N 2.9Å; C37-L41 VanDerWaalsContact O-N 3.13Å; C37-A357 HydrophobicContact CB-CB 3.47Å; C37-A357 VanDerWaalsContact CB-CB 3.47Å |
| 38 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.8 | -36.5 | 174.7 | -70.1 | 165.5 | 0 | 0 | 0 | 112.2 | F15 L34 A35 K40 L41 G42 H43 V45 A357 E361 Y364 | F15-L38 HydrophobicContact CE1-CD1 3.75Å; F15-L38 HydrophobicContact CE2-CD1 3.59Å; F15-L38 HydrophobicContact CZ-CD1 3.04Å; F15-L38 HydrophobicContact CZ-CG 4.45Å; L34-L38 HydrophobicContact CD1-CD1 3.78Å; L34-L38 HydrophobicContact CD1-CG 4.03Å; L34-L38 HydrophobicContact CG-CD1 3.74Å; L34-L38 HydrophobicContact CG-CG 4.43Å; L34-L38 VanDerWaalsContact O-CG 3.32Å; L34-L38 WeakPolarHBondContact O-CG 3.25Å; L34-L38 PolarHBondContact O-N 2.96Å; A35-L38 PolarHBondContact O-N 2.97Å; L38-K40 PolarHBondContact O-N 3.44Å; L38-L41 HydrophobicContact CD2-CD1 4.33Å; L38-L41 CarbonylContact O-C 3.51Å; L38-L41 WeakPolarHBondContact O-CA 3.48Å; L38-L41 WeakPolarHBondContact O-CB 3.34Å; L38-L41 PolarHBondContact O-N 3.5Å; L38-G42 PolarHBondContact O-N 3.34Å; L38-H43 HydrophobicContact CB-CB 4.28Å; L38-H43 WeakPolarHBondContact O-CB 3.46Å; L38-H43 PolarHBondContact O-CD2 3.34Å; L38-H43 PolarHBondContact O-N 3.47Å; L38-V45 HydrophobicContact CB-CG2 4.07Å; L38-A357 HydrophobicContact CD2-CB 4.21Å; L38-A357 HydrophobicContact CG-CB 4.18Å; L38-E361 HydrophobicContact CD2-CB 4.34Å; L38-Y364 HydrophobicContact CD1-CE2 4.01Å; L38-Y364 HydrophobicContact CD2-CE2 4Å |
| 39 | M | 92.1 | Very high | 90.1 | Very high | 61 Ų | 61 | 32.2 Ų | 32.2 | 30% | 0.3 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.9 | -34.8 | 171.3 | -73.9 | 178.2 | 67.9 | 0 | 0 | 112.6 | A35 C37 L41 G42 H43 V45 I65 | A35-M39 WeakPolarHBondContact O-CB 3.48Å; A35-M39 VanDerWaalsContact O-CG 3.26Å; A35-M39 WeakPolarHBondContact O-CG 3.23Å; A35-M39 PolarHBondContact O-N 2.98Å; C37-M39 VanDerWaalsContact C-N 3.3Å; C37-M39 PolarHBondContact O-N 3.47Å; M39-L41 VanDerWaalsContact C-N 3.32Å; M39-G42 PolarHBondContact O-N 2.97Å; M39-H43 WeakPolarHBondContact CA-O 3.5Å; M39-V45 HydrophobicContact CG-CB 3.89Å; M39-V45 HydrophobicContact CG-CG2 3.79Å; M39-V45 HydrophobicContact SD-CB 4.33Å; M39-I65 HydrophobicContact SD-CB 4.5Å; M39-I65 HydrophobicContact SD-CG1 3.54Å; M39-I65 VanDerWaalsContact SD-CG1 3.54Å |
| 40 | K | 92.8 | Very high | 90.1 | Very high | 179 Ų | 179 | 30.9 Ų | 30.9 | 78% | 0.778 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -71 | -27.6 | 174.4 | -66.4 | 173 | -178.5 | -179.8 | 0 | 112.8 | S36 C37 L38 G42 | S36-K40 WeakPolarHBondContact O-CG 3.29Å; S36-K40 PolarHBondContact O-N 3.03Å; C37-K40 WeakPolarHBondContact O-CA 3.36Å; C37-K40 WeakPolarHBondContact O-CB 3.14Å; C37-K40 PolarHBondContact O-N 2.92Å; L38-K40 PolarHBondContact O-N 3.44Å; K40-G42 PolarHBondContact O-N 2.91Å |
| 41 | L | 92.5 | Very high | 90 | Very high | 71 Ų | 71 | 32.6 Ų | 32.6 | 37% | 0.372 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -5.5 | 171.7 | -64 | 175.4 | 0 | 0 | 0 | 112.7 | C37 L38 M39 A357 E358 | C37-L41 PolarHBondContact O-N 2.9Å; C37-L41 VanDerWaalsContact O-N 3.13Å; L38-L41 HydrophobicContact CD2-CD1 4.33Å; L38-L41 CarbonylContact O-C 3.51Å; L38-L41 WeakPolarHBondContact O-CA 3.48Å; L38-L41 WeakPolarHBondContact O-CB 3.34Å; L38-L41 PolarHBondContact O-N 3.5Å; M39-L41 VanDerWaalsContact C-N 3.32Å; L41-A357 HydrophobicContact CD1-CB 4.06Å; L41-E358 HydrophobicContact CD1-CG 4.14Å; L41-E358 HydrophobicContact CD2-CG 4.34Å |
| 42 | G | 91.6 | Very high | 89.6 | Confident | 59 Ų | 59 | 33.6 Ų | 33.6 | 61% | 0.608 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 106 | 4.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L38 M39 K40 | L38-G42 PolarHBondContact O-N 3.34Å; M39-G42 PolarHBondContact O-N 2.97Å; K40-G42 PolarHBondContact O-N 2.91Å |
| 43 | H | 90.2 | Very high | 89.3 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | trans | -81 | 144.3 | -179.7 | -62.2 | -68.3 | 0 | 0 | 0 | 113.2 | E13 L38 M39 V45 E361 | E13-H43 IonicContact OE1-CE1 2.66Å; E13-H43 IonicContact OE2-CD2 2.7Å; E13-H43 IonicContact OE2-CE1 3.91Å; E13-H43 PolarHBondContact OE2-CE1 3.42Å; E13-H43 VanDerWaalsContact OE2-CE1 3.29Å; E13-H43 IonicContact OE2-CG 3.65Å; E13-H43 IonicContact OE2-ND1 3.53Å; E13-H43 PolarHBondContact OE2-ND1 2.83Å; E13-H43 IonicContact OE2-NE2 2.86Å; L38-H43 HydrophobicContact CB-CB 4.28Å; L38-H43 WeakPolarHBondContact O-CB 3.46Å; L38-H43 PolarHBondContact O-CD2 3.34Å; L38-H43 PolarHBondContact O-N 3.47Å; M39-H43 WeakPolarHBondContact CA-O 3.5Å; H43-V45 HydrophobicContact CB-CG2 4.34Å; H43-V45 PolarHBondContact O-N 3.21Å; H43-E361 IonicContact CD2-OE1 3.67Å; H43-E361 IonicContact CE1-OE1 3.75Å; H43-E361 IonicContact NE2-OE1 3.75Å; H43-E361 PolarHBondContact NE2-OE1 2.84Å | ||
| 44 | K | 90.5 | Very high | 89 | Confident | 98 Ų | 98 | 40.8 Ų | 40.8 | 43% | 0.426 | 23% | 0.23 | S | C | . | . | trans | -92.8 | 87.2 | 176.1 | -173.4 | -171.9 | 157.1 | -146.6 | 0 | 109.4 | A12 E13 H14 I46 E98 | A12-K44 HydrophobicContact CB-CB 3.49Å; A12-K44 VanDerWaalsContact CB-CB 3.49Å; E13-K44 CarbonylContact O-C 3.58Å; H14-K44 VanDerWaalsContact CE1-CD 3.47Å; H14-K44 WeakPolarHBondContact CE1-CD 3.44Å; H14-K44 PolarHBondContact CE1-NZ 2.82Å; H14-K44 PolarHBondContact CE1-O 3.24Å; H14-K44 PolarHBondContact ND1-O 3Å; K44-I46 PolarHBondContact O-N 3.18Å; K44-E98 IonicContact NZ-OE2 3.54Å; K44-E98 PolarHBondContact NZ-OE2 3.16Å | ||
| 45 | V | 91 | Very high | 88.7 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | trans | -81.4 | 123 | -178.1 | -178 | 0 | 0 | 0 | 0 | 111.7 | F15 A35 L38 M39 H43 V47 | F15-V45 HydrophobicContact CB-CG1 3.95Å; F15-V45 HydrophobicContact CD2-CB 3.99Å; F15-V45 HydrophobicContact CD2-CG1 3.35Å; F15-V45 HydrophobicContact CD2-CG2 3.73Å; F15-V45 HydrophobicContact CE2-CG1 4.18Å; F15-V45 HydrophobicContact CE2-CG2 3.75Å; F15-V45 HydrophobicContact CG-CG1 3.8Å; A35-V45 HydrophobicContact CB-CB 4.25Å; A35-V45 HydrophobicContact CB-CG1 3.5Å; A35-V45 VanDerWaalsContact CB-CG1 3.5Å; A35-V45 HydrophobicContact CB-CG2 4.48Å; L38-V45 HydrophobicContact CB-CG2 4.07Å; M39-V45 HydrophobicContact CG-CB 3.89Å; M39-V45 HydrophobicContact CG-CG2 3.79Å; M39-V45 HydrophobicContact SD-CB 4.33Å; H43-V45 HydrophobicContact CB-CG2 4.34Å; H43-V45 PolarHBondContact O-N 3.21Å; V45-V47 HydrophobicContact CG1-CG2 4.44Å | ||
| 46 | I | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 161.8 | 162.3 | 68.9 | 178.5 | 0 | 0 | 0 | 108.6 | H14 F15 K44 K66 I94 E98 V100 | H14-I46 HydrophobicContact CB-CD1 3.92Å; H14-I46 HydrophobicContact CB-CG1 3.81Å; H14-I46 WeakPolarHBondContact ND1-CG2 3.41Å; F15-I46 CarbonylContact C-O 3.55Å; F15-I46 VanDerWaalsContact C-O 3.27Å; F15-I46 VanDerWaalsContact CA-O 3.28Å; F15-I46 WeakPolarHBondContact CA-O 3.49Å; F15-I46 WeakPolarHBondContact CB-O 3.19Å; F15-I46 PolarHBondContact N-O 3.4Å; F15-I46 VanDerWaalsContact N-O 3.14Å; F15-I46 CarbonylContact O-C 3.56Å; K44-I46 PolarHBondContact O-N 3.18Å; I46-K66 CarbonylContact C-O 3.52Å; I46-K66 VanDerWaalsContact CA-O 3.23Å; I46-K66 WeakPolarHBondContact CA-O 3.43Å; I46-K66 HydrophobicContact CG2-CB 4.15Å; I46-K66 HydrophobicContact CG2-CD 4.2Å; I46-I94 HydrophobicContact CD1-CG2 3.96Å; I46-E98 HydrophobicContact CD1-CB 3.82Å; I46-E98 HydrophobicContact CD1-CG 3.78Å; I46-E98 HydrophobicContact CG2-CG 4.43Å; I46-V100 HydrophobicContact CD1-CG2 4.03Å |
| 47 | V | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.6 | 171.3 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | F15 F20 I31 V45 I65 K66 V67 Y68 | F15-V47 WeakPolarHBondContact O-CA 3.42Å; F20-V47 HydrophobicContact CB-CG1 3.9Å; F20-V47 HydrophobicContact CD1-CB 4.16Å; F20-V47 HydrophobicContact CD1-CG1 3.75Å; F20-V47 HydrophobicContact CD1-CG2 4.48Å; F20-V47 HydrophobicContact CD2-CG1 4.01Å; F20-V47 HydrophobicContact CE1-CB 4.2Å; F20-V47 HydrophobicContact CE1-CG1 4.22Å; F20-V47 HydrophobicContact CE1-CG2 4.12Å; F20-V47 HydrophobicContact CE2-CG1 4.5Å; F20-V47 HydrophobicContact CE2-CG2 4.28Å; F20-V47 HydrophobicContact CG-CB 4.46Å; F20-V47 HydrophobicContact CG-CG1 3.62Å; F20-V47 HydrophobicContact CZ-CG2 4.04Å; I31-V47 HydrophobicContact CG2-CG2 4.25Å; V45-V47 HydrophobicContact CG1-CG2 4.44Å; V47-I65 HydrophobicContact CB-CG2 4.43Å; V47-I65 HydrophobicContact CG2-CG2 3.76Å; V47-K66 PolarHBondContact N-O 2.97Å; V47-V67 HydrophobicContact CB-CG1 4.36Å; V47-V67 HydrophobicContact CB-CG2 4.45Å; V47-V67 CarbonylContact O-C 3.6Å; V47-V67 VanDerWaalsContact O-CA 3.27Å; V47-V67 WeakPolarHBondContact O-CA 3.36Å; V47-Y68 PolarHBondContact O-N 2.95Å |
| 48 | V | 86.9 | Confident | 88.5 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 105.1 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | I16 S17 Y68 L70 I94 F110 | I16-V48 HydrophobicContact CB-CB 4.32Å; I16-V48 HydrophobicContact CD1-CG2 4.22Å; I16-V48 HydrophobicContact CG1-CB 4.16Å; I16-V48 HydrophobicContact CG1-CG2 3.82Å; I16-V48 HydrophobicContact CG2-CB 3.79Å; I16-V48 HydrophobicContact CG2-CG1 4.44Å; I16-V48 HydrophobicContact CG2-CG2 4.41Å; S17-V48 CarbonylContact C-O 3.53Å; S17-V48 CarbonylContact O-C 3.48Å; V48-Y68 CarbonylContact C-O 3.32Å; V48-Y68 WeakPolarHBondContact CA-O 3.49Å; V48-Y68 HydrophobicContact CG2-CD2 4.28Å; V48-Y68 HydrophobicContact CG2-CG 4.39Å; V48-L70 HydrophobicContact CG1-CD1 3.37Å; V48-L70 HydrophobicContact CG1-CG 4.02Å; V48-I94 HydrophobicContact CG1-CD1 4.06Å; V48-I94 HydrophobicContact CG2-CD1 4.17Å; V48-I94 HydrophobicContact CG2-CG2 3.95Å; V48-F110 HydrophobicContact CG1-CE1 4.22Å; V48-F110 HydrophobicContact CG1-CZ 3.82Å |
| 49 | T | 86.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 172.9 | -177.7 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | S17 D18 F20 Y52 V67 Y68 Y69 L70 | S17-T49 WeakPolarHBondContact O-CA 3.17Å; D18-T49 PolarHBondContact O-OG1 3.33Å; F20-T49 HydrophobicContact CB-CG2 4.02Å; T49-Y52 HydrophobicContact CG2-CE2 4.47Å; T49-V67 HydrophobicContact CG2-CG1 3.78Å; T49-Y68 PolarHBondContact N-O 3.12Å; T49-Y69 HydrophobicContact CG2-CD1 3.48Å; T49-Y69 VanDerWaalsContact CG2-CD1 3.48Å; T49-Y69 HydrophobicContact CG2-CE1 3.57Å; T49-Y69 HydrophobicContact CG2-CG 4.13Å; T49-Y69 CarbonylContact O-C 3.27Å; T49-Y69 WeakPolarHBondContact O-CA 3.38Å; T49-L70 PolarHBondContact O-N 3.47Å |
| 50 | H | 82.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 160.5 | 169.4 | 68 | -84.4 | 0 | 0 | 0 | 112.5 | D18 Y52 Y69 L70 F72 V74 Q78 | D18-H50 PolarHBondContact O-ND1 2.97Å; H50-Y52 AromaticContact CD2-CE1 3.8Å; H50-Y52 AromaticContact CD2-CZ 3.95Å; H50-Y52 AromaticContact CE1-CE1 3.47Å; H50-Y52 VanDerWaalsContact CE1-CE1 3.47Å; H50-Y52 WeakPolarHBondContact CE1-CE1 3.33Å; H50-Y52 AromaticContact CE1-CZ 3.23Å; H50-Y52 PolarHBondContact CE1-OH 3.38Å; H50-Y52 AromaticContact ND1-CZ 3.87Å; H50-Y52 AromaticContact NE2-CD1 3.76Å; H50-Y52 AromaticContact NE2-CE1 3.01Å; H50-Y52 WeakPolarHBondContact NE2-CE1 3.31Å; H50-Y52 AromaticContact NE2-CZ 3.28Å; H50-Y52 VanDerWaalsContact NE2-CZ 3.28Å; H50-Y52 PolarHBondContact NE2-OH 2.63Å; H50-Y52 VanDerWaalsContact O-CD2 3.3Å; H50-Y52 WeakPolarHBondContact O-CD2 3.44Å; H50-Y52 WeakPolarHBondContact O-CE2 3.45Å; H50-Y69 WeakPolarHBondContact O-CD1 3.31Å; H50-L70 CarbonylContact C-O 3.33Å; H50-L70 WeakPolarHBondContact CA-O 3.35Å; H50-F72 HydrophobicContact CB-CB 4.13Å; H50-F72 HydrophobicContact CB-CD2 4.33Å; H50-V74 HydrophobicContact CB-CG2 4.45Å; H50-V74 WeakPolarHBondContact CD2-CG2 3.26Å; H50-V74 WeakPolarHBondContact NE2-CG2 3.5Å; H50-Q78 PolarHBondContact CE1-O 2.87Å; H50-Q78 PolarHBondContact NE2-OE1 2.76Å |
| 51 | T | 84.4 | Confident | 88.3 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 26% | 0.264 | 30% | 0.304 | S | S | . | . | trans | -65.8 | 135.1 | 177.8 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | R55 R56 Y69 L70 | T51-R55 WeakPolarHBondContact CA-O 3.3Å; T51-R55 WeakPolarHBondContact CG2-O 3.49Å; T51-R56 HydrophobicContact CG2-CB 3.78Å; T51-Y69 PolarHBondContact OG1-O 3.37Å; T51-L70 PolarHBondContact N-O 3.19Å; T51-L70 PolarHBondContact OG1-O 3.3Å | ||
| 52 | Y | 81.4 | Confident | 88 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -120.6 | 94.7 | 174.5 | -64.6 | -78.5 | 0 | 0 | 0 | 111 | F20 P22 N23 T49 H50 E54 R55 Y69 Q78 | F20-Y52 WeakPolarHBondContact O-CE2 3.31Å; P22-Y52 VanDerWaalsContact CD-CD2 3.47Å; P22-Y52 HydrophobicContact CG-CD2 4.48Å; P22-Y52 HydrophobicContact CG-CG 4.28Å; N23-Y52 WeakPolarHBondContact ND2-CE1 3.34Å; N23-Y52 PolarHBondContact ND2-OH 2.94Å; T49-Y52 HydrophobicContact CG2-CE2 4.47Å; H50-Y52 AromaticContact CD2-CE1 3.8Å; H50-Y52 AromaticContact CD2-CZ 3.95Å; H50-Y52 AromaticContact CE1-CE1 3.47Å; H50-Y52 VanDerWaalsContact CE1-CE1 3.47Å; H50-Y52 WeakPolarHBondContact CE1-CE1 3.33Å; H50-Y52 AromaticContact CE1-CZ 3.23Å; H50-Y52 PolarHBondContact CE1-OH 3.38Å; H50-Y52 AromaticContact ND1-CZ 3.87Å; H50-Y52 AromaticContact NE2-CD1 3.76Å; H50-Y52 AromaticContact NE2-CE1 3.01Å; H50-Y52 WeakPolarHBondContact NE2-CE1 3.31Å; H50-Y52 AromaticContact NE2-CZ 3.28Å; H50-Y52 VanDerWaalsContact NE2-CZ 3.28Å; H50-Y52 PolarHBondContact NE2-OH 2.63Å; H50-Y52 VanDerWaalsContact O-CD2 3.3Å; H50-Y52 WeakPolarHBondContact O-CD2 3.44Å; H50-Y52 WeakPolarHBondContact O-CE2 3.45Å; Y52-E54 PolarHBondContact O-N 3.39Å; Y52-R55 PolarHBondContact N-O 3.03Å; Y52-R55 WeakPolarHBondContact O-CB 3.42Å; Y52-R55 PolarHBondContact O-N 3.17Å; Y52-Y69 HydrophobicContact CD2-CD1 4.11Å; Y52-Y69 AromaticContact CD2-CE1 3.96Å; Y52-Y69 HydrophobicContact CD2-CE1 3.96Å; Y52-Q78 HydrophobicContact CE1-CG 4.48Å |
| 53 | G | 82.6 | Confident | 87.8 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | -114.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | R55 | G53-R55 VanDerWaalsContact C-N 3.3Å; G53-R55 PolarHBondContact O-N 3.14Å |
| 54 | E | 83.5 | Confident | 87.8 | Confident | 189 Ų | 189 | 66.2 Ų | 66.2 | 88% | 0.883 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -18 | 177.5 | -60.2 | -166.2 | 154.3 | 0 | 0 | 114.3 | Y52 R56 | Y52-E54 PolarHBondContact O-N 3.39Å; E54-R56 PolarHBondContact O-N 3.27Å |
| 55 | R | 85 | Confident | 87.8 | Confident | 109 Ų | 109 | 61.5 Ų | 61.5 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -78.8 | 90.3 | 175.6 | -63.6 | -70.5 | -176.1 | 161 | -1 | 109.7 | P22 T51 Y52 G53 Y69 | P22-R55 HydrophobicContact CG-CG 4.09Å; T51-R55 WeakPolarHBondContact CA-O 3.3Å; T51-R55 WeakPolarHBondContact CG2-O 3.49Å; Y52-R55 PolarHBondContact N-O 3.03Å; Y52-R55 WeakPolarHBondContact O-CB 3.42Å; Y52-R55 PolarHBondContact O-N 3.17Å; G53-R55 VanDerWaalsContact C-N 3.3Å; G53-R55 PolarHBondContact O-N 3.14Å; R55-Y69 HydrophobicContact CB-CD1 3.9Å; R55-Y69 HydrophobicContact CB-CE1 3.75Å; R55-Y69 HydrophobicContact CB-CE2 4.47Å; R55-Y69 HydrophobicContact CB-CG 4.33Å; R55-Y69 WeakPolarHBondContact O-CB 3.48Å; R55-Y69 WeakPolarHBondContact O-CD1 3.48Å |
| 56 | R | 88.8 | Confident | 87.8 | Confident | 185 Ų | 185 | 63 Ų | 63 | 70% | 0.698 | 32% | 0.318 | S | S | * | . | trans | -135.4 | 155.4 | -178.5 | 64.7 | -172.9 | 179.8 | 175.1 | -0.4 | 111.4 | T51 E54 | T51-R56 HydrophobicContact CG2-CB 3.78Å; E54-R56 PolarHBondContact O-N 3.27Å | ||
| 57 | G | 90.9 | Very high | 87.9 | Confident | 38 Ų | 38 | 63 Ų | 63 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.3 | -147 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y69 | G57-Y69 PolarHBondContact N-O 3.02Å; G57-Y69 PolarHBondContact O-N 3.42Å |
| 58 | V | 91.8 | Very high | 87.9 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.2 | -176.8 | -172.8 | 0 | 0 | 0 | 0 | 110 | K66 V67 Y68 | V58-K66 HydrophobicContact CG1-CD 4.41Å; V58-K66 VanDerWaalsContact CG1-CE 3.46Å; V58-K66 HydrophobicContact CG1-CG 4.04Å; V58-V67 CarbonylContact C-O 3.38Å; V58-V67 WeakPolarHBondContact CA-O 3.4Å; V58-Y68 HydrophobicContact CG1-CE1 4.49Å; V58-Y68 HydrophobicContact CG2-CD1 3.6Å; V58-Y68 HydrophobicContact CG2-CE1 3.47Å; V58-Y68 VanDerWaalsContact CG2-CE1 3.47Å; V58-Y68 HydrophobicContact CG2-CG 4.35Å |
| 59 | V | 92 | Very high | 88 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.7 | -177.4 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | V67 Y69 | V59-V67 PolarHBondContact N-O 3.41Å; V59-V67 PolarHBondContact O-N 3.43Å; V59-Y69 HydrophobicContact CB-CD2 4.31Å; V59-Y69 HydrophobicContact CB-CE2 3.94Å; V59-Y69 HydrophobicContact CG2-CD2 4.03Å; V59-Y69 HydrophobicContact CG2-CE2 4.03Å |
| 60 | F | 91.2 | Very high | 88 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 61% | 0.61 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.1 | 169.7 | -72.2 | -95.4 | 0 | 0 | 0 | 110.3 | K66 | F60-K66 HydrophobicContact CD1-CB 3.94Å; F60-K66 HydrophobicContact CD1-CG 4.34Å; F60-K66 HydrophobicContact CE1-CB 3.58Å; F60-K66 HydrophobicContact CE1-CD 4.07Å; F60-K66 HydrophobicContact CE1-CG 3.8Å; F60-K66 HydrophobicContact CE2-CD 4.46Å; F60-K66 HydrophobicContact CE2-CG 4.21Å; F60-K66 HydrophobicContact CZ-CB 4.07Å; F60-K66 HydrophobicContact CZ-CD 3.74Å; F60-K66 HydrophobicContact CZ-CG 3.73Å |
| 61 | L | 90.5 | Very high | 87.9 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | trans | -78.2 | 163.6 | 170.6 | -63.2 | -169.8 | 0 | 0 | 0 | 110.9 | F20 Y32 N63 G64 I65 V67 | F20-L61 HydrophobicContact CE1-CD1 3.51Å; F20-L61 HydrophobicContact CZ-CD1 3.95Å; Y32-L61 HydrophobicContact CD2-CD1 4.25Å; Y32-L61 HydrophobicContact CE2-CD1 4.19Å; L61-N63 WeakPolarHBondContact CB-OD1 3.41Å; L61-N63 PolarHBondContact O-N 2.88Å; L61-G64 PolarHBondContact O-N 3.32Å; L61-I65 HydrophobicContact CB-CB 4.42Å; L61-I65 HydrophobicContact CD1-CB 4.44Å; L61-I65 PolarHBondContact N-O 3.34Å; L61-V67 HydrophobicContact CD1-CG2 4.19Å; L61-V67 HydrophobicContact CD2-CG2 4.48Å; L61-V67 HydrophobicContact CG-CG2 3.9Å | ||
| 62 | R | 86.3 | Confident | 87.4 | Confident | 268 Ų | 268 | 69.7 Ų | 69.7 | 100% | 1.011 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.5 | -179.3 | -73.2 | -174.1 | 178 | -179.2 | -0.4 | 113.9 | G64 | R62-G64 PolarHBondContact O-N 3.44Š|
| 63 | N | 87 | Confident | 86.4 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.9 | 175.7 | 64 | -16.6 | 0 | 0 | 0 | 113.4 | Y32 S36 L61 I65 | Y32-N63 WeakPolarHBondContact CE2-ND2 3.47Å; S36-N63 PolarHBondContact OG-ND2 3.3Å; L61-N63 WeakPolarHBondContact CB-OD1 3.41Å; L61-N63 PolarHBondContact O-N 2.88Å; N63-I65 WeakPolarHBondContact ND2-CD1 3.34Å; N63-I65 PolarHBondContact OD1-N 2.63Å |
| 64 | G | 89.8 | Confident | 85.3 | Confident | 37 Ų | 37 | 75.1 Ų | 75.1 | 38% | 0.381 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 90.9 | -5.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L61 R62 K66 | L61-G64 PolarHBondContact O-N 3.32Å; R62-G64 PolarHBondContact O-N 3.44Å; G64-K66 PolarHBondContact O-N 3.15Å |
| 65 | I | 90.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -62.8 | 124.9 | 177.3 | -61.7 | 174.2 | 0 | 0 | 0 | 109.4 | F20 Y32 A35 M39 V47 L61 N63 V67 | F20-I65 HydrophobicContact CE1-CG2 4.31Å; F20-I65 HydrophobicContact CZ-CD1 4.17Å; F20-I65 HydrophobicContact CZ-CG2 4.34Å; Y32-I65 HydrophobicContact CD2-CD1 4.35Å; A35-I65 HydrophobicContact CB-CD1 3.55Å; A35-I65 HydrophobicContact CB-CG1 4.31Å; M39-I65 HydrophobicContact SD-CB 4.5Å; M39-I65 HydrophobicContact SD-CG1 3.54Å; M39-I65 VanDerWaalsContact SD-CG1 3.54Å; V47-I65 HydrophobicContact CB-CG2 4.43Å; V47-I65 HydrophobicContact CG2-CG2 3.76Å; L61-I65 HydrophobicContact CB-CB 4.42Å; L61-I65 HydrophobicContact CD1-CB 4.44Å; L61-I65 PolarHBondContact N-O 3.34Å; N63-I65 WeakPolarHBondContact ND2-CD1 3.34Å; N63-I65 PolarHBondContact OD1-N 2.63Å; I65-V67 HydrophobicContact CG2-CG2 4.02Å | ||
| 66 | K | 92 | Very high | 82.2 | Confident | 34 Ų | 34 | 74.4 Ų | 74.4 | 15% | 0.148 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 125 | 173.1 | -175.7 | -178.2 | -174.4 | 178.6 | 0 | 110 | I46 V47 V58 F60 G64 Y68 E98 | I46-K66 CarbonylContact C-O 3.52Å; I46-K66 VanDerWaalsContact CA-O 3.23Å; I46-K66 WeakPolarHBondContact CA-O 3.43Å; I46-K66 HydrophobicContact CG2-CB 4.15Å; I46-K66 HydrophobicContact CG2-CD 4.2Å; V47-K66 PolarHBondContact N-O 2.97Å; V58-K66 HydrophobicContact CG1-CD 4.41Å; V58-K66 VanDerWaalsContact CG1-CE 3.46Å; V58-K66 HydrophobicContact CG1-CG 4.04Å; F60-K66 HydrophobicContact CD1-CB 3.94Å; F60-K66 HydrophobicContact CD1-CG 4.34Å; F60-K66 HydrophobicContact CE1-CB 3.58Å; F60-K66 HydrophobicContact CE1-CD 4.07Å; F60-K66 HydrophobicContact CE1-CG 3.8Å; F60-K66 HydrophobicContact CE2-CD 4.46Å; F60-K66 HydrophobicContact CE2-CG 4.21Å; F60-K66 HydrophobicContact CZ-CB 4.07Å; F60-K66 HydrophobicContact CZ-CD 3.74Å; F60-K66 HydrophobicContact CZ-CG 3.73Å; G64-K66 PolarHBondContact O-N 3.15Å; K66-Y68 HydrophobicContact CD-CE2 4.03Å; K66-Y68 VanDerWaalsContact CE-OH 3.26Å; K66-Y68 WeakPolarHBondContact CE-OH 3.39Å; K66-Y68 HydrophobicContact CG-CE2 4.23Å; K66-Y68 PolarHBondContact NZ-OH 3.39Å; K66-E98 IonicContact NZ-OE1 2.71Å; K66-E98 PolarHBondContact NZ-OE1 2.92Å; K66-E98 IonicContact NZ-OE2 2.76Å |
| 67 | V | 91.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.9 | -176.1 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | F20 V47 T49 V58 V59 L61 I65 Y69 | F20-V67 HydrophobicContact CD1-CG1 3.94Å; F20-V67 HydrophobicContact CD1-CG2 3.88Å; F20-V67 HydrophobicContact CE1-CG1 4.49Å; F20-V67 HydrophobicContact CE1-CG2 3.58Å; V47-V67 HydrophobicContact CB-CG1 4.36Å; V47-V67 HydrophobicContact CB-CG2 4.45Å; V47-V67 CarbonylContact O-C 3.6Å; V47-V67 VanDerWaalsContact O-CA 3.27Å; V47-V67 WeakPolarHBondContact O-CA 3.36Å; T49-V67 HydrophobicContact CG2-CG1 3.78Å; V58-V67 CarbonylContact C-O 3.38Å; V58-V67 WeakPolarHBondContact CA-O 3.4Å; V59-V67 PolarHBondContact N-O 3.41Å; V59-V67 PolarHBondContact O-N 3.43Å; L61-V67 HydrophobicContact CD1-CG2 4.19Å; L61-V67 HydrophobicContact CD2-CG2 4.48Å; L61-V67 HydrophobicContact CG-CG2 3.9Å; I65-V67 HydrophobicContact CG2-CG2 4.02Å; V67-Y69 HydrophobicContact CB-CD2 4.25Å; V67-Y69 HydrophobicContact CB-CE2 3.64Å; V67-Y69 HydrophobicContact CG1-CD2 3.86Å; V67-Y69 HydrophobicContact CG1-CE1 4.22Å; V67-Y69 HydrophobicContact CG1-CE2 3.38Å; V67-Y69 HydrophobicContact CG1-CG 4.44Å |
| 68 | Y | 90.7 | Very high | 78.8 | Confident | 11 Ų | 11 | 73.6 Ų | 73.6 | 4% | 0.043 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 114.6 | 168.5 | -71.8 | -101.3 | 0 | 0 | 0 | 109.2 | V47 V48 T49 V58 K66 I94 E98 | V47-Y68 PolarHBondContact O-N 2.95Å; V48-Y68 CarbonylContact C-O 3.32Å; V48-Y68 WeakPolarHBondContact CA-O 3.49Å; V48-Y68 HydrophobicContact CG2-CD2 4.28Å; V48-Y68 HydrophobicContact CG2-CG 4.39Å; T49-Y68 PolarHBondContact N-O 3.12Å; V58-Y68 HydrophobicContact CG1-CE1 4.49Å; V58-Y68 HydrophobicContact CG2-CD1 3.6Å; V58-Y68 HydrophobicContact CG2-CE1 3.47Å; V58-Y68 VanDerWaalsContact CG2-CE1 3.47Å; V58-Y68 HydrophobicContact CG2-CG 4.35Å; K66-Y68 HydrophobicContact CD-CE2 4.03Å; K66-Y68 VanDerWaalsContact CE-OH 3.26Å; K66-Y68 WeakPolarHBondContact CE-OH 3.39Å; K66-Y68 HydrophobicContact CG-CE2 4.23Å; K66-Y68 PolarHBondContact NZ-OH 3.39Å; Y68-I94 HydrophobicContact CD1-CD1 3.69Å; Y68-I94 HydrophobicContact CD1-CG1 3.81Å; Y68-I94 HydrophobicContact CD2-CG2 4.23Å; Y68-I94 HydrophobicContact CE1-CD1 4.3Å; Y68-I94 HydrophobicContact CE1-CG1 3.89Å; Y68-I94 HydrophobicContact CE1-CG2 4.49Å; Y68-I94 HydrophobicContact CE2-CG2 4.14Å; Y68-I94 HydrophobicContact CG-CD1 3.93Å; Y68-I94 HydrophobicContact CG-CG1 4.33Å; Y68-I94 HydrophobicContact CG-CG2 4.48Å; Y68-E98 HydrophobicContact CE2-CG 4.23Å; Y68-E98 PolarHBondContact OH-OE1 3.36Å |
| 69 | Y | 89.4 | Confident | 76.8 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 102.3 | 172.5 | -66.7 | -90.2 | 0 | 0 | 0 | 109 | C21 T49 H50 T51 Y52 R55 G57 V59 V67 | C21-Y69 WeakPolarHBondContact O-CE1 3.45Å; C21-Y69 PolarHBondContact O-OH 2.86Å; T49-Y69 HydrophobicContact CG2-CD1 3.48Å; T49-Y69 VanDerWaalsContact CG2-CD1 3.48Å; T49-Y69 HydrophobicContact CG2-CE1 3.57Å; T49-Y69 HydrophobicContact CG2-CG 4.13Å; T49-Y69 CarbonylContact O-C 3.27Å; T49-Y69 WeakPolarHBondContact O-CA 3.38Å; H50-Y69 WeakPolarHBondContact O-CD1 3.31Å; T51-Y69 PolarHBondContact OG1-O 3.37Å; Y52-Y69 HydrophobicContact CD2-CD1 4.11Å; Y52-Y69 AromaticContact CD2-CE1 3.96Å; Y52-Y69 HydrophobicContact CD2-CE1 3.96Å; R55-Y69 HydrophobicContact CB-CD1 3.9Å; R55-Y69 HydrophobicContact CB-CE1 3.75Å; R55-Y69 HydrophobicContact CB-CE2 4.47Å; R55-Y69 HydrophobicContact CB-CG 4.33Å; R55-Y69 WeakPolarHBondContact O-CB 3.48Å; R55-Y69 WeakPolarHBondContact O-CD1 3.48Å; G57-Y69 PolarHBondContact N-O 3.02Å; G57-Y69 PolarHBondContact O-N 3.42Å; V59-Y69 HydrophobicContact CB-CD2 4.31Å; V59-Y69 HydrophobicContact CB-CE2 3.94Å; V59-Y69 HydrophobicContact CG2-CD2 4.03Å; V59-Y69 HydrophobicContact CG2-CE2 4.03Å; V67-Y69 HydrophobicContact CB-CD2 4.25Å; V67-Y69 HydrophobicContact CB-CE2 3.64Å; V67-Y69 HydrophobicContact CG1-CD2 3.86Å; V67-Y69 HydrophobicContact CG1-CE1 4.22Å; V67-Y69 HydrophobicContact CG1-CE2 3.38Å; V67-Y69 HydrophobicContact CG1-CG 4.44Å |
| 70 | L | 86.2 | Confident | 74.8 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 12% | 0.12 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 143.8 | -174.7 | -60.3 | -178.6 | 0 | 0 | 0 | 111.6 | V48 T49 H50 T51 F72 A90 I94 F110 | V48-L70 HydrophobicContact CG1-CD1 3.37Å; V48-L70 HydrophobicContact CG1-CG 4.02Å; T49-L70 PolarHBondContact O-N 3.47Å; H50-L70 CarbonylContact C-O 3.33Å; H50-L70 WeakPolarHBondContact CA-O 3.35Å; T51-L70 PolarHBondContact N-O 3.19Å; T51-L70 PolarHBondContact OG1-O 3.3Å; L70-F72 HydrophobicContact CB-CD1 4.12Å; L70-F72 HydrophobicContact CB-CD2 3.97Å; L70-F72 HydrophobicContact CB-CE1 3.8Å; L70-F72 HydrophobicContact CB-CE2 3.67Å; L70-F72 HydrophobicContact CB-CG 4.21Å; L70-F72 HydrophobicContact CB-CZ 3.6Å; L70-F72 HydrophobicContact CD1-CE1 3.95Å; L70-F72 HydrophobicContact CD1-CE2 3.64Å; L70-F72 HydrophobicContact CD1-CZ 3.19Å; L70-F72 HydrophobicContact CG-CE2 4.23Å; L70-F72 HydrophobicContact CG-CZ 4.03Å; L70-F72 PolarHBondContact O-N 2.92Å; L70-A90 HydrophobicContact CD1-CB 4.19Å; L70-I94 HydrophobicContact CD1-CD1 3.74Å; L70-I94 HydrophobicContact CD2-CD1 4.1Å; L70-I94 HydrophobicContact CG-CD1 4.38Å; L70-F110 HydrophobicContact CD1-CZ 4.31Å |
| 71 | P | 80.5 | Confident | 72.9 | Confident | 115 Ų | 115 | 68 Ų | 68 | 75% | 0.747 | 34% | 0.34 | S | S | * | . | trans | -77.8 | 56.6 | -177.1 | 34.5 | -37.2 | 0 | 0 | 0 | 112 | ||||
| 72 | F | 73.4 | Confident | 71.2 | Confident | 33 Ų | 33 | 68.9 Ų | 68.9 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | trans | -77.6 | 137.1 | 175.4 | -59.1 | -34 | 0 | 0 | 0 | 110.9 | H50 L70 V74 T87 F110 | H50-F72 HydrophobicContact CB-CB 4.13Å; H50-F72 HydrophobicContact CB-CD2 4.33Å; L70-F72 HydrophobicContact CB-CD1 4.12Å; L70-F72 HydrophobicContact CB-CD2 3.97Å; L70-F72 HydrophobicContact CB-CE1 3.8Å; L70-F72 HydrophobicContact CB-CE2 3.67Å; L70-F72 HydrophobicContact CB-CG 4.21Å; L70-F72 HydrophobicContact CB-CZ 3.6Å; L70-F72 HydrophobicContact CD1-CE1 3.95Å; L70-F72 HydrophobicContact CD1-CE2 3.64Å; L70-F72 HydrophobicContact CD1-CZ 3.19Å; L70-F72 HydrophobicContact CG-CE2 4.23Å; L70-F72 HydrophobicContact CG-CZ 4.03Å; L70-F72 PolarHBondContact O-N 2.92Å; F72-V74 PolarHBondContact O-N 2.87Å; F72-T87 HydrophobicContact CD1-CG2 3.83Å; F72-T87 HydrophobicContact CE1-CG2 3.44Å; F72-T87 VanDerWaalsContact CE1-CG2 3.44Å; F72-T87 HydrophobicContact CE2-CG2 4.37Å; F72-T87 HydrophobicContact CG-CG2 4.46Å; F72-T87 HydrophobicContact CZ-CG2 3.7Å; F72-F110 AromaticContact CE2-CE2 3.87Å; F72-F110 HydrophobicContact CE2-CE2 3.87Å; F72-F110 HydrophobicContact CE2-CZ 4.08Å; F72-F110 AromaticContact CZ-CE2 3.99Å; F72-F110 HydrophobicContact CZ-CE2 3.99Å; F72-F110 AromaticContact CZ-CZ 3.87Å; F72-F110 HydrophobicContact CZ-CZ 3.87Å | ||
| 73 | L | 61.4 | Low | 69.9 | Low | 151 Ų | 151 | 58.5 Ų | 58.5 | 79% | 0.791 | 31% | 0.314 | S | S | * | . | trans | -67.1 | 115.4 | 174.7 | -78.3 | 160.9 | 0 | 0 | 0 | 110 | S80 | L73-S80 WeakPolarHBondContact O-CA 3.32Å; L73-S80 WeakPolarHBondContact O-CB 3.46Å | ||
| 74 | V | 58.2 | Low | 68.9 | Low | 55 Ų | 55 | 58.1 Ų | 58.1 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 130.2 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 109 | H50 F72 | H50-V74 HydrophobicContact CB-CG2 4.45Å; H50-V74 WeakPolarHBondContact CD2-CG2 3.26Å; H50-V74 WeakPolarHBondContact NE2-CG2 3.5Å; F72-V74 PolarHBondContact O-N 2.87Å |
| 75 | F | 53.5 | Low | 68.1 | Low | 162 Ų | 162 | 60.7 Ų | 60.7 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -52.8 | -177.9 | -169.9 | -98.3 | 0 | 0 | 0 | 112.7 | C79 L81 | F75-C79 PolarHBondContact N-O 3.31Å; F75-L81 HydrophobicContact CB-CD2 4.35Å; F75-L81 HydrophobicContact CB-CG 4.16Å; F75-L81 HydrophobicContact CD2-CD2 4.47Å; F75-L81 HydrophobicContact CG-CD2 4.29Å; F75-L81 HydrophobicContact CG-CG 4.46Å |
| 76 | H | 49.2 | Very low | 67.3 | Low | 121 Ų | 121 | 66 Ų | 66 | 56% | 0.56 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147 | 135.4 | -176.1 | -173.5 | -90.6 | 0 | 0 | 0 | 111.1 | Q78 C79 | H76-Q78 PolarHBondContact O-N 3.08Å; H76-Q78 VanDerWaalsContact O-N 3.12Å; H76-C79 PolarHBondContact N-O 3Å; H76-C79 WeakPolarHBondContact O-CA 3.44Å; H76-C79 WeakPolarHBondContact O-CB 3.41Å; H76-C79 PolarHBondContact O-N 2.66Å; H76-C79 PolarHBondContact O-SG 3.1Å; H76-C79 VanDerWaalsContact O-SG 3.37Å |
| 77 | E | 56.4 | Low | 66.7 | Low | 125 Ų | 125 | 64.6 Ų | 64.6 | 58% | 0.584 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 43 | 179.9 | -74.3 | -175.5 | 164.6 | 0 | 0 | 114 | C79 | E77-C79 PolarHBondContact O-N 3.04Å; E77-C79 VanDerWaalsContact O-N 3.13Å |
| 78 | Q | 53.3 | Low | 66.4 | Low | 81 Ų | 81 | 64.6 Ų | 64.6 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 12 | -179.4 | -49.4 | -60.4 | -51.9 | 0 | 0 | 114.3 | H50 Y52 H76 | H50-Q78 PolarHBondContact CE1-O 2.87Å; H50-Q78 PolarHBondContact NE2-OE1 2.76Å; Y52-Q78 HydrophobicContact CE1-CG 4.48Å; H76-Q78 PolarHBondContact O-N 3.08Å; H76-Q78 VanDerWaalsContact O-N 3.12Å |
| 79 | C | 48.6 | Very low | 66.2 | Low | 44 Ų | 44 | 67 Ų | 67 | 30% | 0.297 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 119.4 | 170.2 | -52.1 | 0 | 0 | 0 | 0 | 109.7 | Y19 F75 H76 E77 | Y19-C79 PolarHBondContact OH-SG 2.93Å; F75-C79 PolarHBondContact N-O 3.31Å; H76-C79 PolarHBondContact N-O 3Å; H76-C79 WeakPolarHBondContact O-CA 3.44Å; H76-C79 WeakPolarHBondContact O-CB 3.41Å; H76-C79 PolarHBondContact O-N 2.66Å; H76-C79 PolarHBondContact O-SG 3.1Å; H76-C79 VanDerWaalsContact O-SG 3.37Å; E77-C79 PolarHBondContact O-N 3.04Å; E77-C79 VanDerWaalsContact O-N 3.13Å |
| 80 | S | 51.1 | Low | 66.1 | Low | 9 Ų | 9 | 68.4 Ų | 68.4 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 153.8 | 166.6 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | L73 K109 | L73-S80 WeakPolarHBondContact O-CA 3.32Å; L73-S80 WeakPolarHBondContact O-CB 3.46Å; S80-K109 WeakPolarHBondContact O-CE 3.43Å; S80-K109 PolarHBondContact O-NZ 3.42Å; S80-K109 VanDerWaalsContact OG-CE 3.25Å; S80-K109 WeakPolarHBondContact OG-CE 3.47Å; S80-K109 PolarHBondContact OG-NZ 2.88Å |
| 81 | L | 51.1 | Low | 66.1 | Low | 80 Ų | 80 | 67.3 Ų | 67.3 | 42% | 0.419 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 147.5 | 175.2 | -76.2 | 169.9 | 0 | 0 | 0 | 110.7 | F75 T83 | F75-L81 HydrophobicContact CB-CD2 4.35Å; F75-L81 HydrophobicContact CB-CG 4.16Å; F75-L81 HydrophobicContact CD2-CD2 4.47Å; F75-L81 HydrophobicContact CG-CD2 4.29Å; F75-L81 HydrophobicContact CG-CG 4.46Å; L81-T83 HydrophobicContact CB-CG2 3.75Å; L81-T83 PolarHBondContact O-N 3.04Å |
| 82 | P | 54.6 | Low | 66.5 | Low | 49 Ų | 49 | 62.8 Ų | 62.8 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | trans | -73.3 | 72.5 | 171 | 26.3 | -25 | 0 | 0 | 0 | 109.7 | F84 M142 | P82-F84 VanDerWaalsContact C-N 3.34Å; P82-F84 HydrophobicContact CB-CE2 4.06Å; P82-F84 HydrophobicContact CB-CZ 4.11Å; P82-F84 PolarHBondContact O-N 3.13Å; P82-M142 HydrophobicContact CB-CE 4.07Å; P82-M142 HydrophobicContact CG-CE 3.37Å | ||
| 83 | T | 60.1 | Low | 67.3 | Low | 50 Ų | 50 | 65.4 Ų | 65.4 | 31% | 0.307 | 34% | 0.341 | S | S | . | . | trans | -89.5 | 71.7 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 109.3 | L81 F85 V86 T87 | L81-T83 HydrophobicContact CB-CG2 3.75Å; L81-T83 PolarHBondContact O-N 3.04Å; T83-F85 VanDerWaalsContact C-N 3.32Å; T83-F85 PolarHBondContact O-N 2.87Å; T83-V86 HydrophobicContact CG2-CG2 4.36Å; T83-V86 PolarHBondContact O-N 3.03Å; T83-V86 VanDerWaalsContact O-N 3.14Å; T83-T87 PolarHBondContact O-N 3.3Å; T83-T87 PolarHBondContact O-OG1 3.06Å; T83-T87 VanDerWaalsContact O-OG1 3.14Å | ||
| 84 | F | 65.7 | Low | 68.6 | Low | 37 Ų | 37 | 58.3 Ų | 58.3 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -47.7 | -52.9 | -175.3 | -61.6 | -75.4 | 0 | 0 | 0 | 111.5 | P82 V86 T87 L112 H113 F145 | P82-F84 VanDerWaalsContact C-N 3.34Å; P82-F84 HydrophobicContact CB-CE2 4.06Å; P82-F84 HydrophobicContact CB-CZ 4.11Å; P82-F84 PolarHBondContact O-N 3.13Å; F84-V86 PolarHBondContact O-N 3.32Å; F84-T87 PolarHBondContact O-OG1 3.42Å; F84-L112 HydrophobicContact CD1-CD2 3.97Å; F84-L112 HydrophobicContact CG-CD2 4.41Å; F84-H113 PolarHBondContact O-CE1 3.07Å; F84-H113 PolarHBondContact O-NE2 2.74Å; F84-F145 HydrophobicContact CD1-CE1 4.32Å; F84-F145 HydrophobicContact CE1-CD1 4.25Å; F84-F145 AromaticContact CE1-CE1 3.64Å; F84-F145 HydrophobicContact CE1-CE1 3.64Å; F84-F145 HydrophobicContact CE2-CD1 4.45Å; F84-F145 AromaticContact CE2-CE1 3.93Å; F84-F145 HydrophobicContact CE2-CE1 3.93Å; F84-F145 AromaticContact CZ-CD1 3.77Å; F84-F145 HydrophobicContact CZ-CD1 3.77Å; F84-F145 AromaticContact CZ-CE1 3.41Å; F84-F145 HydrophobicContact CZ-CE1 3.41Å; F84-F145 VanDerWaalsContact CZ-CE1 3.41Å; F84-F145 HydrophobicContact CZ-CZ 4.41Å |
| 85 | F | 72 | Confident | 70 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -76.5 | -24.4 | -175.3 | -54.8 | -63.5 | 0 | 0 | 0 | 115.1 | T83 V389 V392 E393 I396 | T83-F85 VanDerWaalsContact C-N 3.32Å; T83-F85 PolarHBondContact O-N 2.87Å; F85-V389 HydrophobicContact CZ-CG1 4.34Å; F85-V392 HydrophobicContact CE1-CB 4.48Å; F85-V392 HydrophobicContact CE1-CG1 3.79Å; F85-V392 HydrophobicContact CZ-CB 4.49Å; F85-V392 HydrophobicContact CZ-CG1 3.87Å; F85-E393 HydrophobicContact CE1-CB 4.26Å; F85-I396 HydrophobicContact CB-CD1 4.41Å; F85-I396 HydrophobicContact CD1-CD1 3.46Å; F85-I396 VanDerWaalsContact CD1-CD1 3.46Å; F85-I396 HydrophobicContact CE1-CD1 4Å; F85-I396 HydrophobicContact CG-CD1 4.13Å |
| 86 | V | 75.1 | Confident | 71.8 | Confident | 112 Ų | 112 | 50 Ų | 50 | 68% | 0.679 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -74.3 | -35 | -177.2 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | T83 F84 L88 P89 | T83-V86 HydrophobicContact CG2-CG2 4.36Å; T83-V86 PolarHBondContact O-N 3.03Å; T83-V86 VanDerWaalsContact O-N 3.14Å; F84-V86 PolarHBondContact O-N 3.32Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-P89 WeakPolarHBondContact O-CD 3.33Å |
| 87 | T | 79.5 | Confident | 73.7 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -80.7 | -16.2 | -180 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | F72 T83 F84 A90 A91 H113 | F72-T87 HydrophobicContact CD1-CG2 3.83Å; F72-T87 HydrophobicContact CE1-CG2 3.44Å; F72-T87 VanDerWaalsContact CE1-CG2 3.44Å; F72-T87 HydrophobicContact CE2-CG2 4.37Å; F72-T87 HydrophobicContact CG-CG2 4.46Å; F72-T87 HydrophobicContact CZ-CG2 3.7Å; T83-T87 PolarHBondContact O-N 3.3Å; T83-T87 PolarHBondContact O-OG1 3.06Å; T83-T87 VanDerWaalsContact O-OG1 3.14Å; F84-T87 PolarHBondContact O-OG1 3.42Å; T87-A90 PolarHBondContact O-N 2.96Å; T87-A91 WeakPolarHBondContact O-CB 3.1Å; T87-A91 PolarHBondContact O-N 3.01Å; T87-H113 PolarHBondContact OG1-NE2 3.49Å |
| 88 | L | 84.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -45.7 | -173.2 | -178.4 | 67.4 | 0 | 0 | 0 | 114.7 | V86 A90 A91 R92 H113 E393 I396 L397 L400 | V86-L88 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 3.46Å; L88-A91 PolarHBondContact O-N 3.27Å; L88-R92 VanDerWaalsContact O-CB 3.29Å; L88-R92 WeakPolarHBondContact O-CB 3.29Å; L88-R92 PolarHBondContact O-N 3.37Å; L88-H113 HydrophobicContact CD1-CB 4.24Å; L88-H113 WeakPolarHBondContact CD1-ND1 3.46Å; L88-E393 HydrophobicContact CD1-CG 3.97Å; L88-E393 HydrophobicContact CD2-CG 3.86Å; L88-I396 HydrophobicContact CD2-CB 3.81Å; L88-I396 HydrophobicContact CD2-CD1 4.49Å; L88-I396 HydrophobicContact CD2-CG2 3.54Å; L88-L397 HydrophobicContact CD1-CD2 3.73Å; L88-L397 HydrophobicContact CD1-CG 4.14Å; L88-L397 HydrophobicContact CD2-CD2 4.41Å; L88-L397 HydrophobicContact CD2-CG 4.36Å; L88-L397 HydrophobicContact CG-CD2 4.17Å; L88-L400 HydrophobicContact CD2-CD1 4.45Å; L88-L400 HydrophobicContact CG-CD1 4.35Å |
| 89 | P | 87 | Confident | 77 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 40% | 0.403 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 179.8 | -22.6 | 34.2 | 0 | 0 | 0 | 112.7 | V86 F93 L400 | V86-P89 WeakPolarHBondContact O-CD 3.33Å; P89-F93 WeakPolarHBondContact O-CB 3.44Å; P89-F93 PolarHBondContact O-N 3.19Å; P89-L400 HydrophobicContact CB-CD1 4.31Å; P89-L400 HydrophobicContact CB-CD2 4.37Å; P89-L400 HydrophobicContact CG-CD1 4.17Å; P89-L400 HydrophobicContact CG-CD2 4.38Å |
| 90 | A | 86.2 | Confident | 78.9 | Confident | 33 Ų | 33 | 47.1 Ų | 47.1 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.4 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L70 T87 L88 F93 I94 | L70-A90 HydrophobicContact CD1-CB 4.19Å; T87-A90 PolarHBondContact O-N 2.96Å; L88-A90 PolarHBondContact O-N 3.46Å; A90-F93 PolarHBondContact O-N 2.91Å; A90-I94 VanDerWaalsContact O-CG1 3.31Å; A90-I94 WeakPolarHBondContact O-CG1 3.31Å; A90-I94 PolarHBondContact O-N 2.93Å |
| 91 | A | 86.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -51.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T87 L88 F93 I94 L95 F110 H113 | T87-A91 WeakPolarHBondContact O-CB 3.1Å; T87-A91 PolarHBondContact O-N 3.01Å; L88-A91 PolarHBondContact O-N 3.27Å; A91-F93 VanDerWaalsContact C-N 3.32Å; A91-F93 PolarHBondContact O-N 3.45Å; A91-I94 PolarHBondContact O-N 2.82Å; A91-L95 HydrophobicContact CB-CD1 4.35Å; A91-L95 VanDerWaalsContact O-CB 3.24Å; A91-L95 WeakPolarHBondContact O-CB 3.34Å; A91-L95 WeakPolarHBondContact O-CD1 3.49Å; A91-L95 WeakPolarHBondContact O-CG 3.37Å; A91-L95 PolarHBondContact O-N 3.47Å; A91-F110 HydrophobicContact CB-CD1 3.69Å; A91-F110 HydrophobicContact CB-CE1 3.36Å; A91-F110 HydrophobicContact CB-CZ 4.13Å; A91-H113 HydrophobicContact CB-CB 4.02Å |
| 92 | R | 89.2 | Confident | 82.7 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.3 | -46.8 | 175.9 | 177.8 | -176.8 | 170.5 | -95.8 | -3.9 | 111.8 | L88 I94 I96 L117 L397 L400 S404 I406 | L88-R92 VanDerWaalsContact O-CB 3.29Å; L88-R92 WeakPolarHBondContact O-CB 3.29Å; L88-R92 PolarHBondContact O-N 3.37Å; R92-I94 PolarHBondContact O-N 3.5Å; R92-I96 HydrophobicContact CG-CD1 3.66Å; R92-I96 HydrophobicContact CG-CG1 4.48Å; R92-I96 WeakPolarHBondContact O-CB 3.43Å; R92-I96 WeakPolarHBondContact O-CG1 3.19Å; R92-I96 PolarHBondContact O-N 2.97Å; R92-I96 VanDerWaalsContact O-N 3.08Å; R92-L117 HydrophobicContact CB-CD1 4.37Å; R92-L117 HydrophobicContact CG-CD2 4.42Å; R92-L397 HydrophobicContact CB-CD2 4.19Å; R92-L397 HydrophobicContact CG-CD2 4.15Å; R92-L400 PolarHBondContact NH1-O 2.88Å; R92-S404 PolarHBondContact NH1-O 3.05Å; R92-S404 PolarHBondContact NH2-O 3.01Å; R92-I406 HydrophobicContact CG-CD1 4.19Å; R92-I406 VanDerWaalsContact NH1-CD1 3.25Å |
| 93 | F | 89.7 | Confident | 84.4 | Confident | 87 Ų | 87 | 42.3 Ų | 42.3 | 38% | 0.382 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.9 | -50.4 | 179.5 | 177.3 | -99.3 | 0 | 0 | 0 | 112.1 | P89 A90 A91 R97 I406 | P89-F93 WeakPolarHBondContact O-CB 3.44Å; P89-F93 PolarHBondContact O-N 3.19Å; A90-F93 PolarHBondContact O-N 2.91Å; A91-F93 VanDerWaalsContact C-N 3.32Å; A91-F93 PolarHBondContact O-N 3.45Å; F93-R97 WeakPolarHBondContact O-CB 3.48Å; F93-R97 PolarHBondContact O-N 3.28Å; F93-I406 HydrophobicContact CB-CD1 4.3Å; F93-I406 HydrophobicContact CD2-CD1 4.21Å; F93-I406 HydrophobicContact CD2-CG1 4.26Å |
| 94 | I | 89 | Confident | 85.9 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.4 | -47.8 | -177 | -63.6 | 166 | 0 | 0 | 0 | 110.6 | I46 V48 Y68 L70 A90 A91 R92 I96 R97 E98 | I46-I94 HydrophobicContact CD1-CG2 3.96Å; V48-I94 HydrophobicContact CG1-CD1 4.06Å; V48-I94 HydrophobicContact CG2-CD1 4.17Å; V48-I94 HydrophobicContact CG2-CG2 3.95Å; Y68-I94 HydrophobicContact CD1-CD1 3.69Å; Y68-I94 HydrophobicContact CD1-CG1 3.81Å; Y68-I94 HydrophobicContact CD2-CG2 4.23Å; Y68-I94 HydrophobicContact CE1-CD1 4.3Å; Y68-I94 HydrophobicContact CE1-CG1 3.89Å; Y68-I94 HydrophobicContact CE1-CG2 4.49Å; Y68-I94 HydrophobicContact CE2-CG2 4.14Å; Y68-I94 HydrophobicContact CG-CD1 3.93Å; Y68-I94 HydrophobicContact CG-CG1 4.33Å; Y68-I94 HydrophobicContact CG-CG2 4.48Å; L70-I94 HydrophobicContact CD1-CD1 3.74Å; L70-I94 HydrophobicContact CD2-CD1 4.1Å; L70-I94 HydrophobicContact CG-CD1 4.38Å; A90-I94 VanDerWaalsContact O-CG1 3.31Å; A90-I94 WeakPolarHBondContact O-CG1 3.31Å; A90-I94 PolarHBondContact O-N 2.93Å; A91-I94 PolarHBondContact O-N 2.82Å; R92-I94 PolarHBondContact O-N 3.5Å; I94-I96 VanDerWaalsContact C-N 3.32Å; I94-I96 PolarHBondContact O-N 3.48Å; I94-R97 PolarHBondContact O-N 3.13Å; I94-E98 HydrophobicContact CG2-CG 4.28Å; I94-E98 WeakPolarHBondContact O-CB 3.36Å; I94-E98 PolarHBondContact O-N 3.3Å |
| 95 | L | 89 | Confident | 87 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | -176.4 | -70.6 | 171.1 | 0 | 0 | 0 | 111.8 | I16 A91 K99 V100 V103 L117 I119 | I16-L95 HydrophobicContact CD1-CD2 3.51Å; I16-L95 HydrophobicContact CD1-CG 4.24Å; A91-L95 HydrophobicContact CB-CD1 4.35Å; A91-L95 VanDerWaalsContact O-CB 3.24Å; A91-L95 WeakPolarHBondContact O-CB 3.34Å; A91-L95 WeakPolarHBondContact O-CD1 3.49Å; A91-L95 WeakPolarHBondContact O-CG 3.37Å; A91-L95 PolarHBondContact O-N 3.47Å; L95-K99 PolarHBondContact O-N 2.93Å; L95-V100 HydrophobicContact CB-CB 4.38Å; L95-V100 HydrophobicContact CD2-CB 3.63Å; L95-V100 HydrophobicContact CD2-CG1 3.5Å; L95-V100 VanDerWaalsContact CD2-CG1 3.5Å; L95-V100 HydrophobicContact CD2-CG2 3.84Å; L95-V100 WeakPolarHBondContact O-CB 3.23Å; L95-V100 WeakPolarHBondContact O-CG2 3.29Å; L95-V100 PolarHBondContact O-N 3.08Å; L95-V103 HydrophobicContact CD2-CG2 3.53Å; L95-L117 HydrophobicContact CB-CD1 4.11Å; L95-L117 HydrophobicContact CD1-CD1 3.59Å; L95-L117 HydrophobicContact CG-CD1 4.49Å; L95-I119 HydrophobicContact CB-CD1 3.76Å; L95-I119 HydrophobicContact CD1-CD1 4.12Å; L95-I119 HydrophobicContact CD2-CD1 3.96Å; L95-I119 HydrophobicContact CG-CD1 4.16Å |
| 96 | I | 89.4 | Confident | 87.5 | Confident | 40 Ų | 40 | 34.8 Ų | 34.8 | 21% | 0.205 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.1 | -48 | 178.4 | -65.1 | 175 | 0 | 0 | 0 | 111.2 | R92 I94 E98 K99 I406 Q408 | R92-I96 HydrophobicContact CG-CD1 3.66Å; R92-I96 HydrophobicContact CG-CG1 4.48Å; R92-I96 WeakPolarHBondContact O-CB 3.43Å; R92-I96 WeakPolarHBondContact O-CG1 3.19Å; R92-I96 PolarHBondContact O-N 2.97Å; R92-I96 VanDerWaalsContact O-N 3.08Å; I94-I96 VanDerWaalsContact C-N 3.32Å; I94-I96 PolarHBondContact O-N 3.48Å; I96-E98 VanDerWaalsContact C-N 3.31Å; I96-E98 PolarHBondContact O-N 3Å; I96-K99 PolarHBondContact O-N 3.38Å; I96-K99 VanDerWaalsContact O-N 3.12Å; I96-I406 HydrophobicContact CB-CD1 4.36Å; I96-I406 HydrophobicContact CD1-CD1 4.12Å; I96-I406 HydrophobicContact CG2-CB 4.32Å; I96-I406 HydrophobicContact CG2-CG2 3.9Å; I96-Q408 HydrophobicContact CG2-CG 4.19Å |
| 97 | R | 89.9 | Confident | 87.5 | Confident | 148 Ų | 148 | 30.3 Ų | 30.3 | 56% | 0.558 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -60.9 | -41 | -176.9 | 179.1 | -179.2 | 179.2 | 116.5 | 1.5 | 112.1 | F93 I94 K99 | F93-R97 WeakPolarHBondContact O-CB 3.48Å; F93-R97 PolarHBondContact O-N 3.28Å; I94-R97 PolarHBondContact O-N 3.13Å; R97-K99 VanDerWaalsContact C-N 3.29Å |
| 98 | E | 89 | Confident | 87.2 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.065 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -83.2 | -7.6 | -179.5 | -65.3 | -59 | 138.9 | 0 | 0 | 113.2 | H14 K44 I46 K66 Y68 I94 I96 V100 | H14-E98 PolarHBondContact NE2-O 3.19Å; K44-E98 IonicContact NZ-OE2 3.54Å; K44-E98 PolarHBondContact NZ-OE2 3.16Å; I46-E98 HydrophobicContact CD1-CB 3.82Å; I46-E98 HydrophobicContact CD1-CG 3.78Å; I46-E98 HydrophobicContact CG2-CG 4.43Å; K66-E98 IonicContact NZ-OE1 2.71Å; K66-E98 PolarHBondContact NZ-OE1 2.92Å; K66-E98 IonicContact NZ-OE2 2.76Å; Y68-E98 HydrophobicContact CE2-CG 4.23Å; Y68-E98 PolarHBondContact OH-OE1 3.36Å; I94-E98 HydrophobicContact CG2-CG 4.28Å; I94-E98 WeakPolarHBondContact O-CB 3.36Å; I94-E98 PolarHBondContact O-N 3.3Å; I96-E98 VanDerWaalsContact C-N 3.31Å; I96-E98 PolarHBondContact O-N 3Å; E98-V100 HydrophobicContact CB-CG2 3.92Å |
| 99 | K | 89.7 | Confident | 86.5 | Confident | 138 Ų | 138 | 32.4 Ų | 32.4 | 60% | 0.6 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 49.8 | -175.6 | -58.1 | -178.5 | 177.8 | -179.4 | 0 | 112.1 | L95 I96 R97 N101 | L95-K99 PolarHBondContact O-N 2.93Å; I96-K99 PolarHBondContact O-N 3.38Å; I96-K99 VanDerWaalsContact O-N 3.12Å; R97-K99 VanDerWaalsContact C-N 3.29Å; K99-N101 PolarHBondContact O-N 3.2Å |
| 100 | V | 89.7 | Confident | 86.1 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 7% | 0.067 | 14% | 0.142 | C | C | . | . | trans | -69.5 | 125.1 | -179 | 179 | 0 | 0 | 0 | 0 | 111.3 | H14 I46 L95 E98 L102 V103 I119 | H14-V100 HydrophobicContact CB-CB 3.84Å; H14-V100 HydrophobicContact CB-CG1 3.59Å; H14-V100 HydrophobicContact CB-CG2 3.34Å; I46-V100 HydrophobicContact CD1-CG2 4.03Å; L95-V100 HydrophobicContact CB-CB 4.38Å; L95-V100 HydrophobicContact CD2-CB 3.63Å; L95-V100 HydrophobicContact CD2-CG1 3.5Å; L95-V100 VanDerWaalsContact CD2-CG1 3.5Å; L95-V100 HydrophobicContact CD2-CG2 3.84Å; L95-V100 WeakPolarHBondContact O-CB 3.23Å; L95-V100 WeakPolarHBondContact O-CG2 3.29Å; L95-V100 PolarHBondContact O-N 3.08Å; E98-V100 HydrophobicContact CB-CG2 3.92Å; V100-L102 WeakPolarHBondContact CG1-O 3.29Å; V100-V103 HydrophobicContact CG1-CG2 3.72Å; V100-I119 HydrophobicContact CB-CD1 4.3Å; V100-I119 HydrophobicContact CG1-CD1 4.4Å; V100-I119 HydrophobicContact CG1-CG2 3.91Å; V100-I119 WeakPolarHBondContact O-CD1 3.36Å; V100-I119 WeakPolarHBondContact O-CG1 3.06Å | ||
| 101 | N | 89.1 | Confident | 85.9 | Confident | 36 Ų | 36 | 28.3 Ų | 28.3 | 19% | 0.193 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -105.4 | -27.1 | 176.8 | 59.8 | -7.4 | 0 | 0 | 0 | 113.3 | A11 E13 K99 I119 H120 | A11-N101 VanDerWaalsContact CB-ND2 3.32Å; A11-N101 WeakPolarHBondContact CB-ND2 3.24Å; A11-N101 PolarHBondContact O-ND2 2.92Å; E13-N101 WeakPolarHBondContact CA-OD1 3.34Å; K99-N101 PolarHBondContact O-N 3.2Å; N101-I119 VanDerWaalsContact C-CG2 3.48Å; N101-I119 WeakPolarHBondContact O-CG2 3.5Å; N101-H120 PolarHBondContact O-N 3.36Å |
| 102 | L | 91.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 134.5 | 178.1 | -175 | 142.9 | 0 | 0 | 0 | 110.1 | H14 V100 H104 H120 V122 Y364 A367 L368 | H14-L102 CarbonylContact C-O 3.45Å; H14-L102 PolarHBondContact N-O 3.45Å; V100-L102 WeakPolarHBondContact CG1-O 3.29Å; L102-H104 HydrophobicContact CD2-CB 4.27Å; L102-H120 CarbonylContact C-O 3.52Å; L102-H120 VanDerWaalsContact CA-O 3.28Å; L102-H120 WeakPolarHBondContact CA-O 3.48Å; L102-H120 HydrophobicContact CD1-CB 4.32Å; L102-H120 HydrophobicContact CG-CB 4.45Å; L102-V122 HydrophobicContact CD1-CG2 4.2Å; L102-V122 HydrophobicContact CD2-CG2 4.47Å; L102-Y364 HydrophobicContact CD1-CD1 3.83Å; L102-Y364 HydrophobicContact CD1-CG 4.02Å; L102-Y364 HydrophobicContact CD2-CD1 3.57Å; L102-Y364 HydrophobicContact CD2-CE1 3.84Å; L102-Y364 HydrophobicContact CD2-CG 4.1Å; L102-Y364 HydrophobicContact CG-CD1 4.38Å; L102-A367 HydrophobicContact CD1-CB 4.05Å; L102-L368 HydrophobicContact CB-CD2 4.47Å; L102-L368 HydrophobicContact CD1-CD2 4.34Å; L102-L368 HydrophobicContact CD1-CG 4.41Å |
| 103 | V | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118 | 172.5 | 167.1 | 0 | 0 | 0 | 0 | 109.2 | I16 L95 V100 F110 M111 A114 I119 H120 T121 V122 | I16-V103 HydrophobicContact CB-CG1 4.02Å; I16-V103 HydrophobicContact CD1-CG1 4.31Å; I16-V103 HydrophobicContact CD1-CG2 3.84Å; I16-V103 HydrophobicContact CG1-CG1 4.34Å; I16-V103 HydrophobicContact CG1-CG2 4.33Å; L95-V103 HydrophobicContact CD2-CG2 3.53Å; V100-V103 HydrophobicContact CG1-CG2 3.72Å; V103-F110 HydrophobicContact CG1-CB 4.46Å; V103-M111 HydrophobicContact CG1-SD 4.15Å; V103-A114 HydrophobicContact CB-CB 3.79Å; V103-A114 HydrophobicContact CG1-CB 4.28Å; V103-A114 HydrophobicContact CG2-CB 3.67Å; V103-I119 HydrophobicContact CG2-CG2 4.01Å; V103-H120 PolarHBondContact N-O 3.34Å; V103-T121 CarbonylContact O-C 3.51Å; V103-T121 VanDerWaalsContact O-CA 3.3Å; V103-T121 WeakPolarHBondContact O-CA 3.47Å; V103-V122 PolarHBondContact O-N 2.91Å |
| 104 | H | 91.7 | Very high | 85.6 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 109.3 | 168.3 | -171.6 | 167.6 | 0 | 0 | 0 | 109.7 | F15 I16 L102 H106 V122 T124 Y364 | F15-H104 HydrophobicContact CD1-CB 3.69Å; F15-H104 HydrophobicContact CE1-CB 3.66Å; F15-H104 AromaticContact CE1-CG 3.92Å; F15-H104 AromaticContact CE1-ND1 3.55Å; F15-H104 HydrophobicContact CZ-CB 4.43Å; I16-H104 CarbonylContact C-O 3.51Å; I16-H104 PolarHBondContact N-O 2.99Å; L102-H104 HydrophobicContact CD2-CB 4.27Å; H104-H106 AromaticContact CD2-CE1 3.62Å; H104-H106 AromaticContact CD2-ND1 3.93Å; H104-H106 AromaticContact CE1-CE1 3.83Å; H104-H106 AromaticContact NE2-CE1 3.45Å; H104-H106 PolarHBondContact NE2-CE1 3.48Å; H104-V122 CarbonylContact C-O 3.58Å; H104-V122 WeakPolarHBondContact CA-O 3.45Å; H104-V122 PolarHBondContact CD2-O 3.02Å; H104-V122 VanDerWaalsContact CD2-O 3.29Å; H104-T124 PolarHBondContact CE1-OG1 3.34Å; H104-T124 WeakPolarHBondContact NE2-CB 3.49Å; H104-T124 PolarHBondContact NE2-N 3.06Å; H104-T124 PolarHBondContact NE2-OG1 3.43Å; H104-Y364 HydrophobicContact CB-CE1 4.15Å; H104-Y364 AromaticContact ND1-CE1 3.47Å; H104-Y364 WeakPolarHBondContact ND1-CE1 3.47Å; H104-Y364 AromaticContact ND1-CZ 3.51Å; H104-Y364 PolarHBondContact ND1-OH 3.05Å |
| 105 | G | 88.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I16 V122 F123 T124 | I16-G105 WeakPolarHBondContact O-CA 3.3Å; G105-V122 PolarHBondContact N-O 3.02Å; G105-F123 WeakPolarHBondContact O-CA 3.21Å; G105-F123 WeakPolarHBondContact O-CD2 3.34Å; G105-T124 PolarHBondContact O-N 3.27Å |
| 106 | H | 83.6 | Confident | 85.4 | Confident | 17 Ų | 17 | 25 Ų | 25 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -107.4 | -7 | 166.5 | -64.6 | 60.6 | 0 | 0 | 0 | 111.6 | V27 H30 I31 H104 H126 | V27-H106 HydrophobicContact CG1-CB 4.01Å; H30-H106 AromaticContact CD2-CD2 3.74Å; H30-H106 AromaticContact CD2-NE2 3.13Å; H30-H106 PolarHBondContact CD2-NE2 3.46Å; H30-H106 AromaticContact NE2-CD2 3.98Å; H30-H106 AromaticContact NE2-NE2 3.07Å; H30-H106 PolarHBondContact NE2-NE2 3.44Å; I31-H106 HydrophobicContact CD1-CB 4.29Å; H104-H106 AromaticContact CD2-CE1 3.62Å; H104-H106 AromaticContact CD2-ND1 3.93Å; H104-H106 AromaticContact CE1-CE1 3.83Å; H104-H106 AromaticContact NE2-CE1 3.45Å; H104-H106 PolarHBondContact NE2-CE1 3.48Å; H106-H126 AromaticContact CD2-CD2 3.56Å; H106-H126 AromaticContact CD2-NE2 3.15Å; H106-H126 PolarHBondContact CD2-NE2 3.12Å; H106-H126 AromaticContact NE2-NE2 3.64Å |
| 107 | S | 75.1 | Confident | 85.3 | Confident | 18 Ų | 18 | 25.4 Ų | 25.4 | 13% | 0.126 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -127.1 | 169.5 | 156.6 | 66.7 | 0 | 0 | 0 | 0 | 110 | D18 K109 | D18-S107 WeakPolarHBondContact OD1-CB 3.09Å; D18-S107 PolarHBondContact OD1-OG 3.19Å; D18-S107 WeakPolarHBondContact OD2-CB 3.39Å; D18-S107 PolarHBondContact OD2-OG 3.42Å; S107-K109 PolarHBondContact O-N 2.7Å |
| 108 | V | 72.2 | Confident | 85.3 | Confident | 32 Ų | 32 | 21.3 Ų | 21.3 | 19% | 0.194 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -86 | -5.2 | -169.2 | -71.1 | 0 | 0 | 0 | 0 | 115.6 | F123 L143 S146 | V108-F123 HydrophobicContact CG1-CE2 3.98Å; V108-F123 HydrophobicContact CG1-CZ 4.19Å; V108-L143 HydrophobicContact CG1-CD1 4.32Å; V108-S146 WeakPolarHBondContact CB-OG 3.29Å |
| 109 | K | 70.9 | Confident | 85.3 | Confident | 17 Ų | 17 | 21.4 Ų | 21.4 | 7% | 0.074 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -43.4 | -162.8 | -68.9 | 168.5 | -174.3 | 146 | 0 | 114.1 | D18 S80 S107 | D18-K109 IonicContact OD2-NZ 3.61Å; D18-K109 PolarHBondContact OD2-NZ 3.49Å; S80-K109 WeakPolarHBondContact O-CE 3.43Å; S80-K109 PolarHBondContact O-NZ 3.42Å; S80-K109 VanDerWaalsContact OG-CE 3.25Å; S80-K109 WeakPolarHBondContact OG-CE 3.47Å; S80-K109 PolarHBondContact OG-NZ 2.88Å; S107-K109 PolarHBondContact O-N 2.7Å |
| 110 | F | 78.3 | Confident | 85.4 | Confident | 9 Ų | 9 | 16.8 Ų | 16.8 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7.5 | -174.5 | -85.4 | -112.2 | 0 | 0 | 0 | 113.8 | I16 V48 L70 F72 A91 V103 L112 H113 A114 | I16-F110 HydrophobicContact CB-CB 4.47Å; I16-F110 HydrophobicContact CB-CG 4.49Å; I16-F110 HydrophobicContact CD1-CB 4.48Å; I16-F110 HydrophobicContact CD1-CD1 3.52Å; I16-F110 HydrophobicContact CD1-CE1 3.99Å; I16-F110 HydrophobicContact CD1-CG 4.25Å; I16-F110 HydrophobicContact CG2-CB 3.74Å; I16-F110 HydrophobicContact CG2-CD1 3.66Å; I16-F110 HydrophobicContact CG2-CD2 3.73Å; I16-F110 HydrophobicContact CG2-CE1 4.08Å; I16-F110 HydrophobicContact CG2-CE2 4.2Å; I16-F110 HydrophobicContact CG2-CG 3.43Å; I16-F110 VanDerWaalsContact CG2-CG 3.43Å; I16-F110 HydrophobicContact CG2-CZ 4.35Å; V48-F110 HydrophobicContact CG1-CE1 4.22Å; V48-F110 HydrophobicContact CG1-CZ 3.82Å; L70-F110 HydrophobicContact CD1-CZ 4.31Å; F72-F110 AromaticContact CE2-CE2 3.87Å; F72-F110 HydrophobicContact CE2-CE2 3.87Å; F72-F110 HydrophobicContact CE2-CZ 4.08Å; F72-F110 AromaticContact CZ-CE2 3.99Å; F72-F110 HydrophobicContact CZ-CE2 3.99Å; F72-F110 AromaticContact CZ-CZ 3.87Å; F72-F110 HydrophobicContact CZ-CZ 3.87Å; A91-F110 HydrophobicContact CB-CD1 3.69Å; A91-F110 HydrophobicContact CB-CE1 3.36Å; A91-F110 HydrophobicContact CB-CZ 4.13Å; V103-F110 HydrophobicContact CG1-CB 4.46Å; F110-L112 PolarHBondContact O-N 3.04Å; F110-H113 PolarHBondContact O-N 3.33Å; F110-A114 WeakPolarHBondContact O-CB 3.3Å; F110-A114 PolarHBondContact O-N 3.08Å |
| 111 | M | 82.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | -173.9 | -54.2 | -50.6 | -85.2 | 0 | 0 | 111.3 | V103 K115 T121 V122 F123 C150 | V103-M111 HydrophobicContact CG1-SD 4.15Å; M111-K115 VanDerWaalsContact O-CB 3.3Å; M111-K115 WeakPolarHBondContact O-CB 3.5Å; M111-K115 PolarHBondContact O-N 2.83Å; M111-T121 HydrophobicContact CE-CG2 4.25Å; M111-V122 VanDerWaalsContact CE-C 3.43Å; M111-V122 WeakPolarHBondContact CE-O 3.41Å; M111-F123 HydrophobicContact CE-CB 3.99Å; M111-C150 HydrophobicContact CE-CB 4.27Å; M111-C150 WeakPolarHBondContact CE-SG 3.32Å |
| 112 | L | 84 | Confident | 85.6 | Confident | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.7 | -47.4 | 176.4 | -178.4 | 63.4 | 0 | 0 | 0 | 111.3 | F84 F110 A114 K115 M116 F145 V389 E393 | F84-L112 HydrophobicContact CD1-CD2 3.97Å; F84-L112 HydrophobicContact CG-CD2 4.41Å; F110-L112 PolarHBondContact O-N 3.04Å; L112-A114 PolarHBondContact O-N 2.93Å; L112-K115 PolarHBondContact O-N 3.36Å; L112-M116 HydrophobicContact CD1-CE 4.16Å; L112-M116 HydrophobicContact CD1-CG 4.11Å; L112-M116 HydrophobicContact CG-CG 4.37Å; L112-M116 VanDerWaalsContact O-CG 3.31Å; L112-M116 WeakPolarHBondContact O-CG 3.46Å; L112-M116 PolarHBondContact O-N 2.74Å; L112-F145 HydrophobicContact CD2-CE1 4.33Å; L112-F145 HydrophobicContact CD2-CZ 4.22Å; L112-V389 HydrophobicContact CD2-CG1 3.79Å; L112-E393 WeakPolarHBondContact CD2-OE2 3.35Å; L112-E393 VanDerWaalsContact CG-OE2 3.29Å; L112-E393 WeakPolarHBondContact CG-OE2 3.35Å |
| 113 | H | 86.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 179.9 | -57.4 | -27.1 | 0 | 0 | 0 | 113.3 | F84 T87 L88 A91 F110 M116 L117 E393 | F84-H113 PolarHBondContact O-CE1 3.07Å; F84-H113 PolarHBondContact O-NE2 2.74Å; T87-H113 PolarHBondContact OG1-NE2 3.49Å; L88-H113 HydrophobicContact CD1-CB 4.24Å; L88-H113 WeakPolarHBondContact CD1-ND1 3.46Å; A91-H113 HydrophobicContact CB-CB 4.02Å; F110-H113 PolarHBondContact O-N 3.33Å; H113-M116 PolarHBondContact O-N 2.89Å; H113-L117 WeakPolarHBondContact O-CG 3.49Å; H113-L117 PolarHBondContact O-N 2.98Å; H113-L117 VanDerWaalsContact O-N 3.13Å; H113-E393 WeakPolarHBondContact CA-OE1 3.42Å; H113-E393 IonicContact CE1-OE1 3.34Å; H113-E393 IonicContact CE1-OE2 3.02Å; H113-E393 IonicContact CG-OE1 2.65Å; H113-E393 PolarHBondContact N-OE1 3.01Å; H113-E393 IonicContact ND1-OE1 3.09Å; H113-E393 PolarHBondContact ND1-OE1 3.39Å; H113-E393 IonicContact ND1-OE2 3.31Å |
| 114 | A | 87.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.9 | -50.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | V103 F110 L112 M116 L117 G118 I119 T121 | V103-A114 HydrophobicContact CB-CB 3.79Å; V103-A114 HydrophobicContact CG1-CB 4.28Å; V103-A114 HydrophobicContact CG2-CB 3.67Å; F110-A114 WeakPolarHBondContact O-CB 3.3Å; F110-A114 PolarHBondContact O-N 3.08Å; L112-A114 PolarHBondContact O-N 2.93Å; A114-M116 VanDerWaalsContact C-N 3.33Å; A114-M116 PolarHBondContact O-N 2.8Å; A114-L117 CarbonylContact O-C 3.57Å; A114-L117 PolarHBondContact O-N 2.86Å; A114-G118 PolarHBondContact O-N 3.36Å; A114-I119 CarbonylContact C-O 3.55Å; A114-I119 HydrophobicContact CB-CB 4.12Å; A114-I119 HydrophobicContact CB-CG2 4.19Å; A114-I119 VanDerWaalsContact O-CB 3.31Å; A114-I119 WeakPolarHBondContact O-CB 3.28Å; A114-I119 PolarHBondContact O-N 3.38Å; A114-T121 HydrophobicContact CB-CG2 3.58Å |
| 115 | K | 86.7 | Confident | 85.6 | Confident | 16 Ų | 16 | 15.1 Ų | 15.1 | 7% | 0.07 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | -179 | -167.1 | 66.5 | 172.2 | 176.4 | 0 | 112.5 | M111 L112 L117 G118 N149 D151 F373 | M111-K115 VanDerWaalsContact O-CB 3.3Å; M111-K115 WeakPolarHBondContact O-CB 3.5Å; M111-K115 PolarHBondContact O-N 2.83Å; L112-K115 PolarHBondContact O-N 3.36Å; K115-L117 VanDerWaalsContact C-N 3.28Å; K115-L117 PolarHBondContact O-N 2.76Å; K115-G118 PolarHBondContact O-N 2.8Å; K115-G118 VanDerWaalsContact O-N 3.1Å; K115-N149 HydrophobicContact CB-CB 4.39Å; K115-N149 HydrophobicContact CG-CB 4.46Å; K115-D151 IonicContact NZ-OD1 3.98Å; K115-D151 PolarHBondContact NZ-OD1 3.35Å; K115-D151 IonicContact NZ-OD2 3.39Å; K115-F373 HydrophobicContact CD-CE1 4.17Å; K115-F373 HydrophobicContact CD-CZ 4.37Å; K115-F373 HydrophobicContact CG-CE1 3.79Å; K115-F373 HydrophobicContact CG-CZ 4.3Å |
| 116 | M | 87.2 | Confident | 85.4 | Confident | 23 Ų | 23 | 16.7 Ų | 16.7 | 11% | 0.113 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.5 | -22.4 | 178.2 | -66.6 | -54.8 | 99 | 0 | 0 | 113.6 | L112 H113 A114 G118 F373 Y375 A390 E393 I394 L397 | L112-M116 HydrophobicContact CD1-CE 4.16Å; L112-M116 HydrophobicContact CD1-CG 4.11Å; L112-M116 HydrophobicContact CG-CG 4.37Å; L112-M116 VanDerWaalsContact O-CG 3.31Å; L112-M116 WeakPolarHBondContact O-CG 3.46Å; L112-M116 PolarHBondContact O-N 2.74Å; H113-M116 PolarHBondContact O-N 2.89Å; A114-M116 VanDerWaalsContact C-N 3.33Å; A114-M116 PolarHBondContact O-N 2.8Å; M116-G118 VanDerWaalsContact C-N 3.29Å; M116-F373 HydrophobicContact CE-CE1 4.01Å; M116-Y375 WeakPolarHBondContact CE-OH 3.4Å; M116-A390 HydrophobicContact CE-CB 4.1Å; M116-A390 HydrophobicContact SD-CB 3.57Å; M116-A390 VanDerWaalsContact SD-CB 3.57Å; M116-E393 HydrophobicContact CB-CG 4.25Å; M116-E393 HydrophobicContact CG-CB 4.13Å; M116-E393 HydrophobicContact CG-CG 3.94Å; M116-I394 HydrophobicContact SD-CD1 4.14Å; M116-I394 HydrophobicContact SD-CG1 4.07Å; M116-L397 HydrophobicContact CB-CD1 3.81Å |
| 117 | L | 88.7 | Confident | 84.9 | Confident | 50 Ų | 50 | 17.9 Ų | 17.9 | 26% | 0.262 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 4 | 171.6 | -72.3 | 167 | 0 | 0 | 0 | 113.1 | R92 L95 H113 A114 K115 I119 L397 | R92-L117 HydrophobicContact CB-CD1 4.37Å; R92-L117 HydrophobicContact CG-CD2 4.42Å; L95-L117 HydrophobicContact CB-CD1 4.11Å; L95-L117 HydrophobicContact CD1-CD1 3.59Å; L95-L117 HydrophobicContact CG-CD1 4.49Å; H113-L117 WeakPolarHBondContact O-CG 3.49Å; H113-L117 PolarHBondContact O-N 2.98Å; H113-L117 VanDerWaalsContact O-N 3.13Å; A114-L117 CarbonylContact O-C 3.57Å; A114-L117 PolarHBondContact O-N 2.86Å; K115-L117 VanDerWaalsContact C-N 3.28Å; K115-L117 PolarHBondContact O-N 2.76Å; L117-I119 VanDerWaalsContact C-N 3.31Å; L117-I119 HydrophobicContact CB-CD1 3.97Å; L117-I119 HydrophobicContact CB-CG1 4.11Å; L117-L397 HydrophobicContact CD2-CD1 4Å; L117-L397 HydrophobicContact CD2-CD2 3.79Å; L117-L397 HydrophobicContact CG-CD1 4.16Å; L117-L397 HydrophobicContact CG-CD2 4.27Å |
| 118 | G | 88.5 | Confident | 84.5 | Confident | 62 Ų | 62 | 18.5 Ų | 18.5 | 64% | 0.639 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 19.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A114 K115 M116 | A114-G118 PolarHBondContact O-N 3.36Å; K115-G118 PolarHBondContact O-N 2.8Å; K115-G118 VanDerWaalsContact O-N 3.1Å; M116-G118 VanDerWaalsContact C-N 3.29Å |
| 119 | I | 89.6 | Confident | 84.4 | Confident | 16 Ų | 16 | 22.4 Ų | 22.4 | 8% | 0.082 | 13% | 0.127 | C | C | . | . | trans | -94 | 138 | -179.6 | -60.1 | 174.7 | 0 | 0 | 0 | 108.7 | L95 V100 N101 V103 A114 L117 | L95-I119 HydrophobicContact CB-CD1 3.76Å; L95-I119 HydrophobicContact CD1-CD1 4.12Å; L95-I119 HydrophobicContact CD2-CD1 3.96Å; L95-I119 HydrophobicContact CG-CD1 4.16Å; V100-I119 HydrophobicContact CB-CD1 4.3Å; V100-I119 HydrophobicContact CG1-CD1 4.4Å; V100-I119 HydrophobicContact CG1-CG2 3.91Å; V100-I119 WeakPolarHBondContact O-CD1 3.36Å; V100-I119 WeakPolarHBondContact O-CG1 3.06Å; N101-I119 VanDerWaalsContact C-CG2 3.48Å; N101-I119 WeakPolarHBondContact O-CG2 3.5Å; V103-I119 HydrophobicContact CG2-CG2 4.01Å; A114-I119 CarbonylContact C-O 3.55Å; A114-I119 HydrophobicContact CB-CB 4.12Å; A114-I119 HydrophobicContact CB-CG2 4.19Å; A114-I119 VanDerWaalsContact O-CB 3.31Å; A114-I119 WeakPolarHBondContact O-CB 3.28Å; A114-I119 PolarHBondContact O-N 3.38Å; L117-I119 VanDerWaalsContact C-N 3.31Å; L117-I119 HydrophobicContact CB-CD1 3.97Å; L117-I119 HydrophobicContact CB-CG1 4.11Å | ||
| 120 | H | 91.4 | Very high | 84.4 | Confident | 41 Ų | 41 | 23.3 Ų | 23.3 | 19% | 0.19 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 156.3 | 179.2 | -65.7 | -81.4 | 0 | 0 | 0 | 111.7 | N101 L102 V103 D151 A367 L368 R370 | N101-H120 PolarHBondContact O-N 3.36Å; L102-H120 CarbonylContact C-O 3.52Å; L102-H120 VanDerWaalsContact CA-O 3.28Å; L102-H120 WeakPolarHBondContact CA-O 3.48Å; L102-H120 HydrophobicContact CD1-CB 4.32Å; L102-H120 HydrophobicContact CG-CB 4.45Å; V103-H120 PolarHBondContact N-O 3.34Å; H120-D151 WeakPolarHBondContact CA-OD2 3.12Å; H120-D151 IonicContact ND1-OD2 2.85Å; H120-A367 PolarHBondContact ND1-O 3.1Å; H120-L368 HydrophobicContact CB-CD2 4.08Å; H120-L368 VanDerWaalsContact CD2-CD2 3.43Å; H120-L368 WeakPolarHBondContact CD2-CD2 3.39Å; H120-R370 PolarHBondContact CE1-O 3.26Å; H120-R370 PolarHBondContact ND1-O 3.21Å |
| 121 | T | 90.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130 | -167.2 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | V103 M111 A114 N149 C150 D151 L152 | V103-T121 CarbonylContact O-C 3.51Å; V103-T121 VanDerWaalsContact O-CA 3.3Å; V103-T121 WeakPolarHBondContact O-CA 3.47Å; M111-T121 HydrophobicContact CE-CG2 4.25Å; A114-T121 HydrophobicContact CB-CG2 3.58Å; T121-N149 PolarHBondContact OG1-O 2.9Å; T121-N149 VanDerWaalsContact OG1-O 3.04Å; T121-C150 VanDerWaalsContact OG1-CA 3.31Å; T121-C150 WeakPolarHBondContact OG1-CA 2.91Å; T121-D151 PolarHBondContact N-OD2 2.83Å; T121-D151 WeakPolarHBondContact O-CB 3.44Å; T121-D151 PolarHBondContact O-N 3.44Å; T121-D151 PolarHBondContact OG1-N 3.31Å; T121-D151 VanDerWaalsContact OG1-N 3.08Å; T121-D151 PolarHBondContact OG1-OD2 2.87Å; T121-L152 PolarHBondContact O-N 3.48Å |
| 122 | V | 92.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.9 | 172.4 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | L102 V103 H104 G105 M111 L152 I154 V363 Y364 A367 | L102-V122 HydrophobicContact CD1-CG2 4.2Å; L102-V122 HydrophobicContact CD2-CG2 4.47Å; V103-V122 PolarHBondContact O-N 2.91Å; H104-V122 CarbonylContact C-O 3.58Å; H104-V122 WeakPolarHBondContact CA-O 3.45Å; H104-V122 PolarHBondContact CD2-O 3.02Å; H104-V122 VanDerWaalsContact CD2-O 3.29Å; G105-V122 PolarHBondContact N-O 3.02Å; M111-V122 VanDerWaalsContact CE-C 3.43Å; M111-V122 WeakPolarHBondContact CE-O 3.41Å; V122-L152 WeakPolarHBondContact CA-O 3.24Å; V122-L152 HydrophobicContact CG2-CB 4.32Å; V122-I154 HydrophobicContact CG1-CD1 3.74Å; V122-I154 HydrophobicContact CG1-CG1 4.09Å; V122-V363 HydrophobicContact CG1-CG1 4.13Å; V122-V363 HydrophobicContact CG2-CG1 4.37Å; V122-Y364 HydrophobicContact CB-CD1 4.29Å; V122-Y364 HydrophobicContact CB-CE1 4.17Å; V122-Y364 HydrophobicContact CG1-CE1 4.24Å; V122-Y364 HydrophobicContact CG2-CD1 3.87Å; V122-Y364 HydrophobicContact CG2-CE1 4.26Å; V122-A367 HydrophobicContact CG2-CB 3.71Å |
| 123 | F | 92.2 | Very high | 83.2 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.4 | 176.8 | -176.9 | -106.8 | 0 | 0 | 0 | 110.7 | G105 V108 M111 D125 L143 L147 L152 V153 I154 | G105-F123 WeakPolarHBondContact O-CA 3.21Å; G105-F123 WeakPolarHBondContact O-CD2 3.34Å; V108-F123 HydrophobicContact CG1-CE2 3.98Å; V108-F123 HydrophobicContact CG1-CZ 4.19Å; M111-F123 HydrophobicContact CE-CB 3.99Å; F123-D125 HydrophobicContact CD1-CB 4.14Å; F123-D125 HydrophobicContact CE1-CB 3.64Å; F123-L143 HydrophobicContact CE1-CD1 4.32Å; F123-L147 HydrophobicContact CB-CD2 3.78Å; F123-L147 HydrophobicContact CD1-CD1 4.12Å; F123-L147 HydrophobicContact CD1-CD2 3.33Å; F123-L147 HydrophobicContact CD1-CG 4.38Å; F123-L147 HydrophobicContact CD2-CD2 4.11Å; F123-L147 HydrophobicContact CE1-CD1 4.37Å; F123-L147 HydrophobicContact CE1-CD2 3.87Å; F123-L147 HydrophobicContact CG-CD2 3.46Å; F123-L147 VanDerWaalsContact CG-CD2 3.46Å; F123-L147 HydrophobicContact CZ-CD2 4.47Å; F123-L152 PolarHBondContact N-O 2.88Å; F123-V153 HydrophobicContact CB-CG2 4.36Å; F123-V153 HydrophobicContact CD1-CG1 4.19Å; F123-V153 CarbonylContact O-C 3.52Å; F123-V153 VanDerWaalsContact O-CA 3.24Å; F123-V153 WeakPolarHBondContact O-CA 3.42Å; F123-I154 PolarHBondContact O-N 3.4Å |
| 124 | T | 91.9 | Very high | 82.1 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116.5 | 165.3 | -62 | 0 | 0 | 0 | 0 | 110.4 | H104 G105 H126 I154 V156 | H104-T124 PolarHBondContact CE1-OG1 3.34Å; H104-T124 WeakPolarHBondContact NE2-CB 3.49Å; H104-T124 PolarHBondContact NE2-N 3.06Å; H104-T124 PolarHBondContact NE2-OG1 3.43Å; G105-T124 PolarHBondContact O-N 3.27Å; T124-H126 WeakPolarHBondContact CG2-NE2 3.3Å; T124-H126 PolarHBondContact O-CD2 3.33Å; T124-H126 PolarHBondContact O-N 3.44Å; T124-I154 CarbonylContact C-O 3.52Å; T124-I154 VanDerWaalsContact CA-O 3.27Å; T124-I154 WeakPolarHBondContact CA-O 3.41Å; T124-I154 HydrophobicContact CG2-CB 4.31Å; T124-I154 HydrophobicContact CG2-CG2 4.19Å; T124-V156 HydrophobicContact CG2-CG1 4.17Å |
| 125 | D | 89.8 | Confident | 81.4 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 110.8 | 173.4 | -161.8 | -4.6 | 0 | 0 | 0 | 110.4 | F123 S127 I154 T164 R167 | F123-D125 HydrophobicContact CD1-CB 4.14Å; F123-D125 HydrophobicContact CE1-CB 3.64Å; D125-S127 VanDerWaalsContact C-N 3.35Å; D125-S127 VanDerWaalsContact OD1-CB 3.32Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 3.38Å; D125-I154 PolarHBondContact N-O 3.41Å; D125-T164 HydrophobicContact CB-CG2 4.31Å; D125-T164 WeakPolarHBondContact OD2-CG2 3.14Å; D125-T164 PolarHBondContact OD2-OG1 2.99Å; D125-R167 IonicContact OD2-NH1 3.49Å |
| 126 | H | 84.5 | Confident | 81 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | trans | -93.3 | 5.1 | 174.1 | -71.2 | -82.5 | 0 | 0 | 0 | 112.8 | V27 H30 H106 T124 A284 | V27-H126 HydrophobicContact CG2-CB 4.02Å; H30-H126 AromaticContact CD2-CE1 3.98Å; H30-H126 AromaticContact CD2-NE2 3.87Å; H30-H126 AromaticContact CE1-CE1 3.82Å; H30-H126 AromaticContact CG-CE1 3.77Å; H30-H126 AromaticContact ND1-CE1 3.67Å; H30-H126 AromaticContact NE2-CE1 4Å; H30-H126 AromaticContact NE2-NE2 3.85Å; H106-H126 AromaticContact CD2-CD2 3.56Å; H106-H126 AromaticContact CD2-NE2 3.15Å; H106-H126 PolarHBondContact CD2-NE2 3.12Å; H106-H126 AromaticContact NE2-NE2 3.64Å; T124-H126 WeakPolarHBondContact CG2-NE2 3.3Å; T124-H126 PolarHBondContact O-CD2 3.33Å; T124-H126 PolarHBondContact O-N 3.44Å; H126-A284 VanDerWaalsContact O-CB 3.32Å; H126-A284 WeakPolarHBondContact O-CB 3.37Å | ||
| 127 | S | 73.8 | Confident | 80.7 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | trans | -113 | 142.8 | -168.3 | -53 | 0 | 0 | 0 | 0 | 113.3 | D125 F129 R167 | D125-S127 VanDerWaalsContact C-N 3.35Å; D125-S127 VanDerWaalsContact OD1-CB 3.32Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 3.38Å; S127-F129 VanDerWaalsContact CB-CD2 3.46Å; S127-F129 WeakPolarHBondContact OG-CE2 3.43Å; S127-R167 PolarHBondContact O-NH1 2.97Å | ||
| 128 | L | 66.5 | Low | 80.1 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | trans | -122.7 | 107.1 | 168.9 | -166.6 | 78 | 0 | 0 | 0 | 107.6 | T159 N163 A284 | L128-T159 HydrophobicContact CD1-CG2 4.43Å; L128-N163 HydrophobicContact CD1-CB 3.63Å; L128-A284 HydrophobicContact CB-CB 3.83Å | ||
| 129 | F | 70.3 | Confident | 79.8 | Confident | 115 Ų | 115 | 48.9 Ų | 48.9 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | trans | -119.9 | 154.4 | -178.3 | -70.4 | -75.4 | 0 | 0 | 0 | 111.2 | S127 N163 R167 | S127-F129 VanDerWaalsContact CB-CD2 3.46Å; S127-F129 WeakPolarHBondContact OG-CE2 3.43Å; F129-N163 PolarHBondContact O-ND2 3.11Å; F129-R167 VanDerWaalsContact CD2-NH2 3.32Å | ||
| 130 | G | 70.6 | Confident | 79.6 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | trans | -75.9 | -170.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S136 N140 | G130-S136 WeakPolarHBondContact O-CB 3.43Å; G130-N140 PolarHBondContact O-ND2 3.49Å | ||
| 131 | F | 75 | Confident | 79.2 | Confident | 102 Ų | 102 | 53.5 Ų | 53.5 | 45% | 0.447 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -125.8 | -14.3 | -178.3 | -66.6 | -91.8 | 0 | 0 | 0 | 113.7 | L166 R167 | F131-L166 HydrophobicContact CE1-CB 4.13Å; F131-L166 HydrophobicContact CZ-CB 3.85Å; F131-L166 HydrophobicContact CZ-CD1 4.48Å; F131-R167 HydrophobicContact CD1-CG 4.2Å; F131-R167 HydrophobicContact CE1-CB 4.32Å; F131-R167 HydrophobicContact CE1-CG 3.37Å; F131-R167 HydrophobicContact CE2-CG 4.34Å; F131-R167 HydrophobicContact CZ-CG 3.45Å; F131-R167 VanDerWaalsContact CZ-CG 3.45Å |
| 132 | S | 68.5 | Low | 78.8 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 80% | 0.797 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -94.8 | -30.7 | -158.8 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 133 | D | 75 | Confident | 78.5 | Confident | 84 Ų | 84 | 58.5 Ų | 58.5 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -89 | 157.4 | 179.5 | 64.2 | 53.8 | 0 | 0 | 0 | 112.5 | A135 S136 I137 | D133-A135 PolarHBondContact O-N 2.92Å; D133-A135 WeakPolarHBondContact OD1-CB 3.43Å; D133-A135 PolarHBondContact OD1-N 3.37Å; D133-S136 VanDerWaalsContact CG-OG 3.24Å; D133-S136 WeakPolarHBondContact O-CA 3.49Å; D133-S136 WeakPolarHBondContact O-CB 3.21Å; D133-S136 PolarHBondContact O-N 3.04Å; D133-S136 VanDerWaalsContact OD1-CB 3.22Å; D133-S136 WeakPolarHBondContact OD1-CB 3.47Å; D133-S136 PolarHBondContact OD1-N 2.7Å; D133-S136 PolarHBondContact OD1-OG 3.05Å; D133-S136 PolarHBondContact OD2-OG 3.16Å; D133-I137 WeakPolarHBondContact O-CG1 3.49Å; D133-I137 PolarHBondContact O-N 3.2Å |
| 134 | L | 64.1 | Low | 78.3 | Confident | 149 Ų | 149 | 58.9 Ų | 58.9 | 78% | 0.78 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.9 | -32.6 | -178.1 | -74.6 | 169.1 | 0 | 0 | 0 | 112.9 | S138 | L134-S138 WeakPolarHBondContact O-CB 3.39Å; L134-S138 PolarHBondContact O-N 3.25Å; L134-S138 PolarHBondContact O-OG 2.82Å |
| 135 | A | 72.5 | Confident | 77.9 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 59% | 0.587 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.3 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | D133 S138 G139 | D133-A135 PolarHBondContact O-N 2.92Å; D133-A135 WeakPolarHBondContact OD1-CB 3.43Å; D133-A135 PolarHBondContact OD1-N 3.37Å; A135-S138 PolarHBondContact O-OG 3.25Å; A135-S138 VanDerWaalsContact O-OG 3.08Å; A135-G139 PolarHBondContact O-N 2.94Å |
| 136 | S | 77.8 | Confident | 77.6 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | G130 D133 G139 N140 | G130-S136 WeakPolarHBondContact O-CB 3.43Å; D133-S136 VanDerWaalsContact CG-OG 3.24Å; D133-S136 WeakPolarHBondContact O-CA 3.49Å; D133-S136 WeakPolarHBondContact O-CB 3.21Å; D133-S136 PolarHBondContact O-N 3.04Å; D133-S136 VanDerWaalsContact OD1-CB 3.22Å; D133-S136 WeakPolarHBondContact OD1-CB 3.47Å; D133-S136 PolarHBondContact OD1-N 2.7Å; D133-S136 PolarHBondContact OD1-OG 3.05Å; D133-S136 PolarHBondContact OD2-OG 3.16Å; S136-G139 PolarHBondContact O-N 3.29Å; S136-N140 WeakPolarHBondContact O-CB 3.41Å; S136-N140 PolarHBondContact O-N 3.27Å; S136-N140 PolarHBondContact O-ND2 3.38Å; S136-N140 VanDerWaalsContact O-ND2 3.1Å; S136-N140 PolarHBondContact O-OD1 3Å |
| 137 | I | 80.1 | Confident | 77.9 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 177.3 | -64.6 | 168.1 | 0 | 0 | 0 | 110.6 | D133 K141 | D133-I137 WeakPolarHBondContact O-CG1 3.49Å; D133-I137 PolarHBondContact O-N 3.2Å; I137-K141 WeakPolarHBondContact O-CG 3.36Å; I137-K141 PolarHBondContact O-N 3.49Å; I137-K141 VanDerWaalsContact O-N 3.16Å |
| 138 | S | 77.8 | Confident | 78.5 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 44% | 0.441 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 178.8 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | L134 A135 N140 K141 M142 | L134-S138 WeakPolarHBondContact O-CB 3.39Å; L134-S138 PolarHBondContact O-N 3.25Å; L134-S138 PolarHBondContact O-OG 2.82Å; A135-S138 PolarHBondContact O-OG 3.25Å; A135-S138 VanDerWaalsContact O-OG 3.08Å; S138-N140 VanDerWaalsContact C-N 3.34Å; S138-N140 PolarHBondContact O-N 2.94Å; S138-K141 PolarHBondContact O-N 3.4Å; S138-M142 WeakPolarHBondContact O-CG 3.49Å; S138-M142 PolarHBondContact O-N 3.36Å |
| 139 | G | 80.6 | Confident | 79.4 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 32% | 0.32 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A135 S136 M142 L143 | A135-G139 PolarHBondContact O-N 2.94Å; S136-G139 PolarHBondContact O-N 3.29Å; G139-M142 PolarHBondContact O-N 2.81Å; G139-L143 WeakPolarHBondContact O-CB 3.19Å; G139-L143 PolarHBondContact O-N 3.05Å |
| 140 | N | 85.9 | Confident | 80.3 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 8% | 0.08 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.7 | -36.6 | 177.6 | -68.8 | -20.7 | 0 | 0 | 0 | 112.1 | G130 S136 S138 L143 Q144 R167 | G130-N140 PolarHBondContact O-ND2 3.49Å; S136-N140 WeakPolarHBondContact O-CB 3.41Å; S136-N140 PolarHBondContact O-N 3.27Å; S136-N140 PolarHBondContact O-ND2 3.38Å; S136-N140 VanDerWaalsContact O-ND2 3.1Å; S136-N140 PolarHBondContact O-OD1 3Å; S138-N140 VanDerWaalsContact C-N 3.34Å; S138-N140 PolarHBondContact O-N 2.94Å; N140-L143 PolarHBondContact O-N 2.86Å; N140-Q144 WeakPolarHBondContact O-CB 3.46Å; N140-Q144 PolarHBondContact O-N 3.36Å; N140-R167 HydrophobicContact CB-CB 4.37Å; N140-R167 WeakPolarHBondContact OD1-CG 3.15Å; N140-R167 PolarHBondContact OD1-NE 3.44Å |
| 141 | K | 84.1 | Confident | 81.2 | Confident | 140 Ų | 140 | 49 Ų | 49 | 61% | 0.609 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.1 | -39.8 | 171.9 | -73.4 | -178.8 | 179.9 | -178.8 | 0 | 112.1 | I137 S138 Q144 F145 | I137-K141 WeakPolarHBondContact O-CG 3.36Å; I137-K141 PolarHBondContact O-N 3.49Å; I137-K141 VanDerWaalsContact O-N 3.16Å; S138-K141 PolarHBondContact O-N 3.4Å; K141-Q144 PolarHBondContact O-N 3.39Å; K141-F145 WeakPolarHBondContact O-CB 3.41Å; K141-F145 PolarHBondContact O-N 3.32Å |
| 142 | M | 81.1 | Confident | 82.1 | Confident | 90 Ų | 90 | 44.2 Ų | 44.2 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 174.5 | -65.6 | -172.9 | 83.1 | 0 | 0 | 111.4 | P82 S138 G139 Q144 F145 S146 | P82-M142 HydrophobicContact CB-CE 4.07Å; P82-M142 HydrophobicContact CG-CE 3.37Å; S138-M142 WeakPolarHBondContact O-CG 3.49Å; S138-M142 PolarHBondContact O-N 3.36Å; G139-M142 PolarHBondContact O-N 2.81Å; M142-Q144 PolarHBondContact O-N 3.14Å; M142-F145 WeakPolarHBondContact O-CB 3.5Å; M142-F145 PolarHBondContact O-N 3.22Å; M142-S146 WeakPolarHBondContact O-CB 3.46Å; M142-S146 PolarHBondContact O-N 3.41Å; M142-S146 PolarHBondContact O-OG 2.85Å; M142-S146 VanDerWaalsContact O-OG 3.05Å |
| 143 | L | 86.3 | Confident | 83.4 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 173.7 | -172.6 | 71.5 | 0 | 0 | 0 | 111.1 | V108 F123 G139 N140 F145 S146 L147 R167 A168 | V108-L143 HydrophobicContact CG1-CD1 4.32Å; F123-L143 HydrophobicContact CE1-CD1 4.32Å; G139-L143 WeakPolarHBondContact O-CB 3.19Å; G139-L143 PolarHBondContact O-N 3.05Å; N140-L143 PolarHBondContact O-N 2.86Å; L143-F145 PolarHBondContact O-N 3.14Å; L143-S146 PolarHBondContact O-N 2.82Å; L143-S146 VanDerWaalsContact O-N 3.13Å; L143-L147 HydrophobicContact CD1-CD1 3.72Å; L143-L147 HydrophobicContact CD1-CD2 4.33Å; L143-L147 HydrophobicContact CD1-CG 3.85Å; L143-L147 HydrophobicContact CD2-CD1 4.22Å; L143-L147 HydrophobicContact CG-CD1 3.76Å; L143-L147 HydrophobicContact CG-CG 4.01Å; L143-L147 WeakPolarHBondContact O-CB 3.42Å; L143-L147 WeakPolarHBondContact O-CG 3.41Å; L143-L147 PolarHBondContact O-N 3.29Å; L143-R167 HydrophobicContact CD2-CB 4.05Å; L143-A168 HydrophobicContact CD2-CB 4.07Å; L143-A168 HydrophobicContact CG-CB 4.13Å |
| 144 | Q | 87.9 | Confident | 84.3 | Confident | 15 Ų | 15 | 35 Ų | 35 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 175.8 | -174.3 | -176.6 | 8.9 | 0 | 0 | 111.5 | N140 K141 M142 S146 L147 V148 A168 N378 F382 | N140-Q144 WeakPolarHBondContact O-CB 3.46Å; N140-Q144 PolarHBondContact O-N 3.36Å; K141-Q144 PolarHBondContact O-N 3.39Å; M142-Q144 PolarHBondContact O-N 3.14Å; Q144-S146 PolarHBondContact O-N 3.24Å; Q144-L147 PolarHBondContact O-N 2.89Å; Q144-V148 WeakPolarHBondContact O-CB 3.39Å; Q144-V148 PolarHBondContact O-N 2.77Å; Q144-V148 VanDerWaalsContact O-N 3.08Å; Q144-A168 WeakPolarHBondContact CG-O 3.46Å; Q144-N378 PolarHBondContact NE2-OD1 3.13Å; Q144-F382 HydrophobicContact CG-CE1 4.36Å; Q144-F382 HydrophobicContact CG-CE2 4.26Å; Q144-F382 HydrophobicContact CG-CZ 3.83Å |
| 145 | F | 84.2 | Confident | 85.8 | Confident | 30 Ų | 30 | 28 Ų | 28 | 13% | 0.132 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.4 | -38.7 | 175.1 | 175.9 | -84.9 | 0 | 0 | 0 | 112.4 | F84 L112 K141 M142 L143 V148 N149 F382 M386 V389 | F84-F145 HydrophobicContact CD1-CE1 4.32Å; F84-F145 HydrophobicContact CE1-CD1 4.25Å; F84-F145 AromaticContact CE1-CE1 3.64Å; F84-F145 HydrophobicContact CE1-CE1 3.64Å; F84-F145 HydrophobicContact CE2-CD1 4.45Å; F84-F145 AromaticContact CE2-CE1 3.93Å; F84-F145 HydrophobicContact CE2-CE1 3.93Å; F84-F145 AromaticContact CZ-CD1 3.77Å; F84-F145 HydrophobicContact CZ-CD1 3.77Å; F84-F145 AromaticContact CZ-CE1 3.41Å; F84-F145 HydrophobicContact CZ-CE1 3.41Å; F84-F145 VanDerWaalsContact CZ-CE1 3.41Å; F84-F145 HydrophobicContact CZ-CZ 4.41Å; L112-F145 HydrophobicContact CD2-CE1 4.33Å; L112-F145 HydrophobicContact CD2-CZ 4.22Å; K141-F145 WeakPolarHBondContact O-CB 3.41Å; K141-F145 PolarHBondContact O-N 3.32Å; M142-F145 WeakPolarHBondContact O-CB 3.5Å; M142-F145 PolarHBondContact O-N 3.22Å; L143-F145 PolarHBondContact O-N 3.14Å; F145-V148 WeakPolarHBondContact O-CG1 3.49Å; F145-N149 PolarHBondContact O-ND2 3.26Å; F145-F382 HydrophobicContact CB-CE2 4.33Å; F145-F382 HydrophobicContact CB-CZ 4.43Å; F145-M386 HydrophobicContact CD2-CE 3.76Å; F145-M386 HydrophobicContact CD2-SD 3.14Å; F145-M386 WeakPolarHBondContact CD2-SD 3.33Å; F145-M386 HydrophobicContact CE1-CE 4.47Å; F145-M386 HydrophobicContact CE2-CE 3.52Å; F145-M386 HydrophobicContact CE2-SD 3.29Å; F145-M386 WeakPolarHBondContact CE2-SD 3.44Å; F145-M386 HydrophobicContact CG-CE 4.32Å; F145-M386 HydrophobicContact CG-SD 4.02Å; F145-M386 HydrophobicContact CZ-CE 3.9Å; F145-M386 HydrophobicContact CZ-SD 4.26Å; F145-V389 HydrophobicContact CE2-CG2 4.23Å; F145-V389 HydrophobicContact CZ-CG1 4Å; F145-V389 HydrophobicContact CZ-CG2 4.46Å |
| 146 | S | 83.9 | Confident | 86.7 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -82.8 | -44.1 | -177.2 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | V108 M142 L143 Q144 V148 N149 C150 | V108-S146 WeakPolarHBondContact CB-OG 3.29Å; M142-S146 WeakPolarHBondContact O-CB 3.46Å; M142-S146 PolarHBondContact O-N 3.41Å; M142-S146 PolarHBondContact O-OG 2.85Å; M142-S146 VanDerWaalsContact O-OG 3.05Å; L143-S146 PolarHBondContact O-N 2.82Å; L143-S146 VanDerWaalsContact O-N 3.13Å; Q144-S146 PolarHBondContact O-N 3.24Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.06Å; S146-N149 WeakPolarHBondContact O-CB 3.17Å; S146-N149 PolarHBondContact O-N 2.66Å; S146-N149 VanDerWaalsContact O-N 3.14Å; S146-C150 PolarHBondContact O-SG 3.49Å |
| 147 | L | 89.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -77.5 | -17.9 | -175 | -57.6 | -169 | 0 | 0 | 0 | 113.4 | F123 L143 Q144 N149 C150 V153 T164 A168 L170 | F123-L147 HydrophobicContact CB-CD2 3.78Å; F123-L147 HydrophobicContact CD1-CD1 4.12Å; F123-L147 HydrophobicContact CD1-CD2 3.33Å; F123-L147 HydrophobicContact CD1-CG 4.38Å; F123-L147 HydrophobicContact CD2-CD2 4.11Å; F123-L147 HydrophobicContact CE1-CD1 4.37Å; F123-L147 HydrophobicContact CE1-CD2 3.87Å; F123-L147 HydrophobicContact CG-CD2 3.46Å; F123-L147 VanDerWaalsContact CG-CD2 3.46Å; F123-L147 HydrophobicContact CZ-CD2 4.47Å; L143-L147 HydrophobicContact CD1-CD1 3.72Å; L143-L147 HydrophobicContact CD1-CD2 4.33Å; L143-L147 HydrophobicContact CD1-CG 3.85Å; L143-L147 HydrophobicContact CD2-CD1 4.22Å; L143-L147 HydrophobicContact CG-CD1 3.76Å; L143-L147 HydrophobicContact CG-CG 4.01Å; L143-L147 WeakPolarHBondContact O-CB 3.42Å; L143-L147 WeakPolarHBondContact O-CG 3.41Å; L143-L147 PolarHBondContact O-N 3.29Å; Q144-L147 PolarHBondContact O-N 2.89Å; L147-N149 PolarHBondContact O-N 3.5Å; L147-C150 HydrophobicContact CD2-CB 4.44Å; L147-C150 WeakPolarHBondContact O-CB 3.33Å; L147-C150 PolarHBondContact O-N 3.28Å; L147-V153 HydrophobicContact CD1-CG2 4.25Å; L147-V153 HydrophobicContact CD2-CG2 4.49Å; L147-T164 HydrophobicContact CD1-CG2 3.91Å; L147-A168 HydrophobicContact CB-CB 4.23Å; L147-A168 HydrophobicContact CD1-CB 3.76Å; L147-A168 HydrophobicContact CG-CB 4.37Å; L147-L170 HydrophobicContact CB-CD1 3.77Å; L147-L170 HydrophobicContact CB-CD2 4.16Å; L147-L170 HydrophobicContact CB-CG 4.35Å; L147-L170 HydrophobicContact CD1-CD1 3.73Å; L147-L170 HydrophobicContact CG-CD1 4.4Å |
| 148 | V | 86.9 | Confident | 88 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.7 | 168.5 | 76.8 | 0 | 0 | 0 | 0 | 112.3 | Q144 F145 S146 Y375 N378 F382 M386 | Q144-V148 WeakPolarHBondContact O-CB 3.39Å; Q144-V148 PolarHBondContact O-N 2.77Å; Q144-V148 VanDerWaalsContact O-N 3.08Å; F145-V148 WeakPolarHBondContact O-CG1 3.49Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.06Å; V148-Y375 HydrophobicContact CB-CD1 4.47Å; V148-Y375 HydrophobicContact CG1-CD1 3.91Å; V148-Y375 HydrophobicContact CG1-CE1 3.97Å; V148-Y375 HydrophobicContact CG2-CD1 3.74Å; V148-Y375 HydrophobicContact CG2-CE1 4.3Å; V148-N378 VanDerWaalsContact CG2-ND2 3.3Å; V148-N378 WeakPolarHBondContact CG2-ND2 3.45Å; V148-F382 HydrophobicContact CB-CE1 4.45Å; V148-F382 HydrophobicContact CG1-CE1 4.15Å; V148-F382 HydrophobicContact CG1-CZ 4.25Å; V148-M386 HydrophobicContact CG1-CE 3.67Å; V148-M386 HydrophobicContact CG1-CG 4.24Å; V148-M386 HydrophobicContact CG1-SD 4.1Å |
| 149 | N | 85.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -4.1 | 173.1 | -64 | -66.3 | 0 | 0 | 0 | 113.1 | K115 T121 F145 S146 L147 Y375 M386 | K115-N149 HydrophobicContact CB-CB 4.39Å; K115-N149 HydrophobicContact CG-CB 4.46Å; T121-N149 PolarHBondContact OG1-O 2.9Å; T121-N149 VanDerWaalsContact OG1-O 3.04Å; F145-N149 PolarHBondContact O-ND2 3.26Å; S146-N149 WeakPolarHBondContact O-CB 3.17Å; S146-N149 PolarHBondContact O-N 2.66Å; S146-N149 VanDerWaalsContact O-N 3.14Å; L147-N149 PolarHBondContact O-N 3.5Å; N149-Y375 VanDerWaalsContact OD1-CE1 3.25Å; N149-Y375 WeakPolarHBondContact OD1-CE1 3.16Å; N149-Y375 VanDerWaalsContact OD1-CZ 3.32Å; N149-Y375 PolarHBondContact OD1-OH 2.56Å; N149-M386 WeakPolarHBondContact ND2-CE 3.28Å |
| 150 | C | 89 | Confident | 89.2 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.02 | 12% | 0.117 | C | C | . | . | trans | -90.1 | 137.4 | 178.4 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | M111 T121 S146 L147 V153 | M111-C150 HydrophobicContact CE-CB 4.27Å; M111-C150 WeakPolarHBondContact CE-SG 3.32Å; T121-C150 VanDerWaalsContact OG1-CA 3.31Å; T121-C150 WeakPolarHBondContact OG1-CA 2.91Å; S146-C150 PolarHBondContact O-SG 3.49Å; L147-C150 HydrophobicContact CD2-CB 4.44Å; L147-C150 WeakPolarHBondContact O-CB 3.33Å; L147-C150 PolarHBondContact O-N 3.28Å; C150-V153 HydrophobicContact CB-CG2 4.45Å | ||
| 151 | D | 91.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -74.8 | -45.1 | 176.5 | -62.2 | -66.4 | 0 | 0 | 0 | 111.2 | K115 H120 T121 A367 | K115-D151 IonicContact NZ-OD1 3.98Å; K115-D151 PolarHBondContact NZ-OD1 3.35Å; K115-D151 IonicContact NZ-OD2 3.39Å; H120-D151 WeakPolarHBondContact CA-OD2 3.12Å; H120-D151 IonicContact ND1-OD2 2.85Å; T121-D151 PolarHBondContact N-OD2 2.83Å; T121-D151 WeakPolarHBondContact O-CB 3.44Å; T121-D151 PolarHBondContact O-N 3.44Å; T121-D151 PolarHBondContact OG1-N 3.31Å; T121-D151 VanDerWaalsContact OG1-N 3.08Å; T121-D151 PolarHBondContact OG1-OD2 2.87Å; D151-A367 HydrophobicContact CB-CB 4.27Å |
| 152 | L | 93.8 | Very high | 90 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 155.7 | 177.7 | -69.3 | 178 | 0 | 0 | 0 | 111.4 | T121 V122 F123 R174 Y176 V363 D366 A367 | T121-L152 PolarHBondContact O-N 3.48Å; V122-L152 WeakPolarHBondContact CA-O 3.24Å; V122-L152 HydrophobicContact CG2-CB 4.32Å; F123-L152 PolarHBondContact N-O 2.88Å; L152-R174 HydrophobicContact CD2-CB 4.22Å; L152-R174 HydrophobicContact CD2-CG 4.46Å; L152-Y176 HydrophobicContact CD1-CE2 3.87Å; L152-Y176 HydrophobicContact CD2-CD2 4.39Å; L152-Y176 HydrophobicContact CD2-CE2 3.78Å; L152-Y176 HydrophobicContact CG-CE2 4.37Å; L152-V363 HydrophobicContact CB-CG1 3.99Å; L152-V363 HydrophobicContact CD1-CG1 3.77Å; L152-V363 WeakPolarHBondContact CD1-O 3.31Å; L152-D366 HydrophobicContact CD1-CB 3.8Å; L152-A367 HydrophobicContact CD1-CB 3.94Å; L152-A367 HydrophobicContact CG-CB 4.3Å |
| 153 | V | 94.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.8 | 177.2 | 180 | 0 | 0 | 0 | 0 | 109.2 | F123 L147 C150 T164 L170 R174 V175 Y176 | F123-V153 HydrophobicContact CB-CG2 4.36Å; F123-V153 HydrophobicContact CD1-CG1 4.19Å; F123-V153 CarbonylContact O-C 3.52Å; F123-V153 VanDerWaalsContact O-CA 3.24Å; F123-V153 WeakPolarHBondContact O-CA 3.42Å; L147-V153 HydrophobicContact CD1-CG2 4.25Å; L147-V153 HydrophobicContact CD2-CG2 4.49Å; C150-V153 HydrophobicContact CB-CG2 4.45Å; V153-T164 HydrophobicContact CG1-CG2 4.18Å; V153-L170 HydrophobicContact CG2-CD1 3.76Å; V153-R174 PolarHBondContact N-O 2.97Å; V153-V175 HydrophobicContact CB-CG1 4.33Å; V153-V175 HydrophobicContact CB-CG2 4.26Å; V153-V175 HydrophobicContact CG1-CG1 4.26Å; V153-V175 CarbonylContact O-C 3.58Å; V153-V175 VanDerWaalsContact O-CA 3.29Å; V153-V175 WeakPolarHBondContact O-CA 3.34Å; V153-Y176 PolarHBondContact O-N 3.16Å |
| 154 | I | 95.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.7 | 171.6 | -61.8 | 166.5 | 0 | 0 | 0 | 107.2 | V122 F123 T124 D125 Y176 I178 T360 V363 | V122-I154 HydrophobicContact CG1-CD1 3.74Å; V122-I154 HydrophobicContact CG1-CG1 4.09Å; F123-I154 PolarHBondContact O-N 3.4Å; T124-I154 CarbonylContact C-O 3.52Å; T124-I154 VanDerWaalsContact CA-O 3.27Å; T124-I154 WeakPolarHBondContact CA-O 3.41Å; T124-I154 HydrophobicContact CG2-CB 4.31Å; T124-I154 HydrophobicContact CG2-CG2 4.19Å; D125-I154 PolarHBondContact N-O 3.41Å; I154-Y176 CarbonylContact C-O 3.59Å; I154-Y176 WeakPolarHBondContact CA-O 3.45Å; I154-I178 HydrophobicContact CD1-CD1 4.09Å; I154-I178 HydrophobicContact CG1-CD1 4.31Å; I154-I178 HydrophobicContact CG2-CB 3.78Å; I154-I178 HydrophobicContact CG2-CD1 4.1Å; I154-I178 HydrophobicContact CG2-CG1 3.97Å; I154-T360 HydrophobicContact CD1-CG2 3.73Å; I154-V363 HydrophobicContact CD1-CB 4.27Å; I154-V363 HydrophobicContact CD1-CG1 4.06Å; I154-V363 HydrophobicContact CD1-CG2 4.36Å; I154-V363 HydrophobicContact CG1-CG1 4.01Å; I154-V363 HydrophobicContact CG1-CG2 4.34Å |
| 155 | C | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 148.1 | 171 | -65.6 | 0 | 0 | 0 | 0 | 109.5 | S157 K161 V175 Y176 V177 I178 | C155-S157 VanDerWaalsContact C-N 3.26Å; C155-S157 PolarHBondContact O-N 2.93Å; C155-K161 HydrophobicContact CB-CB 3.91Å; C155-V175 HydrophobicContact CB-CG1 4.35Å; C155-V175 WeakPolarHBondContact SG-CG1 3.36Å; C155-Y176 PolarHBondContact N-O 3.34Å; C155-V177 WeakPolarHBondContact O-CA 3.47Å; C155-I178 PolarHBondContact O-N 3.08Å |
| 156 | V | 91.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -82.4 | -3 | -174.3 | -62.3 | 0 | 0 | 0 | 0 | 113.8 | T124 P179 A284 | T124-V156 HydrophobicContact CG2-CG1 4.17Å; V156-P179 WeakPolarHBondContact O-CA 3.33Å; V156-A284 HydrophobicContact CG2-CB 4.09Å; V156-A284 WeakPolarHBondContact CG2-O 3.45Å |
| 157 | S | 91.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -159.7 | 163.8 | 175.4 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | C155 T159 S160 K161 A284 E304 | C155-S157 VanDerWaalsContact C-N 3.26Å; C155-S157 PolarHBondContact O-N 2.93Å; S157-T159 VanDerWaalsContact C-N 3.31Å; S157-S160 PolarHBondContact O-N 2.74Å; S157-S160 WeakPolarHBondContact OG-CB 3.34Å; S157-S160 PolarHBondContact OG-N 3.32Å; S157-K161 PolarHBondContact O-N 2.97Å; S157-A284 WeakPolarHBondContact CB-O 3.38Å; S157-A284 PolarHBondContact OG-O 3.47Å; S157-E304 WeakPolarHBondContact CB-OE2 3.42Å |
| 158 | H | 93.3 | Very high | 91.7 | Very high | 112 Ų | 112 | 26.9 Ų | 26.9 | 52% | 0.519 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.4 | -40.9 | 170.8 | -74.2 | -87 | 0 | 0 | 0 | 111.2 | S160 K161 E162 E304 | H158-S160 VanDerWaalsContact C-N 3.31Å; H158-S160 PolarHBondContact O-N 2.97Å; H158-K161 WeakPolarHBondContact O-CA 3.48Å; H158-K161 WeakPolarHBondContact O-CB 3.21Å; H158-K161 PolarHBondContact O-N 2.86Å; H158-K161 VanDerWaalsContact O-N 3.08Å; H158-E162 PolarHBondContact O-N 3.05Å; H158-E304 WeakPolarHBondContact CB-OE2 3.27Å; H158-E304 IonicContact CD2-OE2 3.64Å; H158-E304 PolarHBondContact CD2-OE2 3.28Å; H158-E304 IonicContact CG-OE2 2.7Å; H158-E304 PolarHBondContact N-OE1 3.48Å; H158-E304 PolarHBondContact N-OE2 2.94Å |
| 159 | T | 91.7 | Very high | 91.8 | Very high | 47 Ų | 47 | 33 Ų | 33 | 29% | 0.288 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | L128 S157 E162 N163 G300 E304 | L128-T159 HydrophobicContact CD1-CG2 4.43Å; S157-T159 VanDerWaalsContact C-N 3.31Å; T159-E162 PolarHBondContact O-N 3.03Å; T159-N163 WeakPolarHBondContact O-CB 3.22Å; T159-N163 PolarHBondContact O-N 3.15Å; T159-G300 PolarHBondContact OG1-O 3.43Å; T159-E304 WeakPolarHBondContact CB-OE1 3.44Å; T159-E304 PolarHBondContact N-OE1 2.87Å; T159-E304 PolarHBondContact OG1-OE1 3.41Å |
| 160 | S | 90.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 173.6 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | S157 H158 E162 N163 T164 | S157-S160 PolarHBondContact O-N 2.74Å; S157-S160 WeakPolarHBondContact OG-CB 3.34Å; S157-S160 PolarHBondContact OG-N 3.32Å; H158-S160 VanDerWaalsContact C-N 3.31Å; H158-S160 PolarHBondContact O-N 2.97Å; S160-E162 PolarHBondContact O-N 2.66Å; S160-N163 PolarHBondContact O-N 3.42Å; S160-T164 WeakPolarHBondContact O-CB 2.96Å; S160-T164 PolarHBondContact O-N 3.29Å; S160-T164 PolarHBondContact O-OG1 3.38Å |
| 161 | K | 94.7 | Very high | 92 | Very high | 54 Ų | 54 | 36.2 Ų | 36.2 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -48 | 175.6 | 166.4 | 168 | 175.2 | 170.9 | 0 | 112.3 | C155 S157 H158 N163 T164 V165 A172 V175 V177 | C155-K161 HydrophobicContact CB-CB 3.91Å; S157-K161 PolarHBondContact O-N 2.97Å; H158-K161 WeakPolarHBondContact O-CA 3.48Å; H158-K161 WeakPolarHBondContact O-CB 3.21Å; H158-K161 PolarHBondContact O-N 2.86Å; H158-K161 VanDerWaalsContact O-N 3.08Å; K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.45Å; K161-T164 PolarHBondContact O-N 3.38Å; K161-V165 HydrophobicContact CG-CG2 4.37Å; K161-V165 VanDerWaalsContact O-CB 3.31Å; K161-V165 WeakPolarHBondContact O-CB 3.28Å; K161-V165 VanDerWaalsContact O-CG2 3.23Å; K161-V165 WeakPolarHBondContact O-CG2 3.45Å; K161-V165 PolarHBondContact O-N 2.9Å; K161-A172 PolarHBondContact NZ-O 3.05Å; K161-V175 HydrophobicContact CB-CG1 4.06Å; K161-V175 HydrophobicContact CD-CB 4.16Å; K161-V175 HydrophobicContact CD-CG1 3.99Å; K161-V175 VanDerWaalsContact CE-O 3.29Å; K161-V175 WeakPolarHBondContact CE-O 2.99Å; K161-V175 HydrophobicContact CG-CB 4.11Å; K161-V175 HydrophobicContact CG-CG1 3.69Å; K161-V175 PolarHBondContact NZ-O 3.07Å; K161-V177 HydrophobicContact CB-CG2 3.75Å; K161-V177 HydrophobicContact CD-CG2 3.54Å; K161-V177 HydrophobicContact CG-CG2 4.28Å |
| 162 | E | 93.7 | Very high | 92.1 | Very high | 134 Ų | 134 | 38.5 Ų | 38.5 | 63% | 0.626 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.5 | -45.3 | 177.3 | -70.3 | -179.7 | -174.8 | 0 | 0 | 111.4 | H158 T159 S160 L166 | H158-E162 PolarHBondContact O-N 3.05Å; T159-E162 PolarHBondContact O-N 3.03Å; S160-E162 PolarHBondContact O-N 2.66Å; E162-L166 WeakPolarHBondContact O-CG 3.47Å; E162-L166 PolarHBondContact O-N 2.59Å; E162-L166 VanDerWaalsContact O-N 3.16Å |
| 163 | N | 91.8 | Very high | 92 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | 176.6 | -175.9 | -105.8 | 0 | 0 | 0 | 112.1 | L128 F129 T159 S160 K161 L166 R167 | L128-N163 HydrophobicContact CD1-CB 3.63Å; F129-N163 PolarHBondContact O-ND2 3.11Å; T159-N163 WeakPolarHBondContact O-CB 3.22Å; T159-N163 PolarHBondContact O-N 3.15Å; S160-N163 PolarHBondContact O-N 3.42Å; K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.45Å; N163-L166 PolarHBondContact O-N 2.74Å; N163-R167 VanDerWaalsContact CG-CD 3.44Å; N163-R167 WeakPolarHBondContact O-CB 3.26Å; N163-R167 WeakPolarHBondContact O-CD 2.98Å; N163-R167 WeakPolarHBondContact O-CG 3.32Å; N163-R167 PolarHBondContact O-N 3.14Å; N163-R167 WeakPolarHBondContact OD1-CD 3.32Å; N163-R167 PolarHBondContact OD1-NH1 2.84Å |
| 164 | T | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | -178.6 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | D125 L147 V153 S160 K161 L166 R167 A168 | D125-T164 HydrophobicContact CB-CG2 4.31Å; D125-T164 WeakPolarHBondContact OD2-CG2 3.14Å; D125-T164 PolarHBondContact OD2-OG1 2.99Å; L147-T164 HydrophobicContact CD1-CG2 3.91Å; V153-T164 HydrophobicContact CG1-CG2 4.18Å; S160-T164 WeakPolarHBondContact O-CB 2.96Å; S160-T164 PolarHBondContact O-N 3.29Å; S160-T164 PolarHBondContact O-OG1 3.38Å; K161-T164 PolarHBondContact O-N 3.38Å; T164-L166 VanDerWaalsContact C-N 3.3Å; T164-L166 PolarHBondContact O-N 3.47Å; T164-R167 PolarHBondContact O-N 3.15Å; T164-A168 WeakPolarHBondContact O-CB 3.49Å; T164-A168 PolarHBondContact O-N 2.79Å |
| 165 | V | 93.6 | Very high | 91.9 | Very high | 31 Ų | 31 | 44 Ų | 44 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.3 | -44.9 | 175.5 | 160 | 0 | 0 | 0 | 0 | 111.1 | K161 K169 L170 A172 V175 | K161-V165 HydrophobicContact CG-CG2 4.37Å; K161-V165 VanDerWaalsContact O-CB 3.31Å; K161-V165 WeakPolarHBondContact O-CB 3.28Å; K161-V165 VanDerWaalsContact O-CG2 3.23Å; K161-V165 WeakPolarHBondContact O-CG2 3.45Å; K161-V165 PolarHBondContact O-N 2.9Å; V165-K169 VanDerWaalsContact O-CA 3.26Å; V165-K169 WeakPolarHBondContact O-CA 3.48Å; V165-K169 PolarHBondContact O-N 2.62Å; V165-L170 WeakPolarHBondContact CG1-O 3.48Å; V165-L170 PolarHBondContact O-N 2.93Å; V165-A172 HydrophobicContact CG2-CB 4.24Å; V165-V175 HydrophobicContact CG2-CB 4.28Å; V165-V175 HydrophobicContact CG2-CG2 3.72Å |
| 166 | L | 91.9 | Very high | 92 | Very high | 116 Ų | 116 | 47.6 Ų | 47.6 | 61% | 0.607 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70.3 | -47 | 178.8 | -69.1 | 173.3 | 0 | 0 | 0 | 112.4 | F131 E162 N163 T164 | F131-L166 HydrophobicContact CE1-CB 4.13Å; F131-L166 HydrophobicContact CZ-CB 3.85Å; F131-L166 HydrophobicContact CZ-CD1 4.48Å; E162-L166 WeakPolarHBondContact O-CG 3.47Å; E162-L166 PolarHBondContact O-N 2.59Å; E162-L166 VanDerWaalsContact O-N 3.16Å; N163-L166 PolarHBondContact O-N 2.74Å; T164-L166 VanDerWaalsContact C-N 3.3Å; T164-L166 PolarHBondContact O-N 3.47Å |
| 167 | R | 89.8 | Confident | 92.2 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.9 | -40.6 | -176.7 | -71.3 | 165.2 | 59.5 | -144.5 | -10.8 | 112.7 | D125 S127 F129 F131 N140 L143 N163 T164 | D125-R167 IonicContact OD2-NH1 3.49Å; S127-R167 PolarHBondContact O-NH1 2.97Å; F129-R167 VanDerWaalsContact CD2-NH2 3.32Å; F131-R167 HydrophobicContact CD1-CG 4.2Å; F131-R167 HydrophobicContact CE1-CB 4.32Å; F131-R167 HydrophobicContact CE1-CG 3.37Å; F131-R167 HydrophobicContact CE2-CG 4.34Å; F131-R167 HydrophobicContact CZ-CG 3.45Å; F131-R167 VanDerWaalsContact CZ-CG 3.45Å; N140-R167 HydrophobicContact CB-CB 4.37Å; N140-R167 WeakPolarHBondContact OD1-CG 3.15Å; N140-R167 PolarHBondContact OD1-NE 3.44Å; L143-R167 HydrophobicContact CD2-CB 4.05Å; N163-R167 VanDerWaalsContact CG-CD 3.44Å; N163-R167 WeakPolarHBondContact O-CB 3.26Å; N163-R167 WeakPolarHBondContact O-CD 2.98Å; N163-R167 WeakPolarHBondContact O-CG 3.32Å; N163-R167 PolarHBondContact O-N 3.14Å; N163-R167 WeakPolarHBondContact OD1-CD 3.32Å; N163-R167 PolarHBondContact OD1-NH1 2.84Å; T164-R167 PolarHBondContact O-N 3.15Å |
| 168 | A | 89.1 | Confident | 92.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -99.5 | 1.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L143 Q144 L147 T164 L170 | L143-A168 HydrophobicContact CD2-CB 4.07Å; L143-A168 HydrophobicContact CG-CB 4.13Å; Q144-A168 WeakPolarHBondContact CG-O 3.46Å; L147-A168 HydrophobicContact CB-CB 4.23Å; L147-A168 HydrophobicContact CD1-CB 3.76Å; L147-A168 HydrophobicContact CG-CB 4.37Å; T164-A168 WeakPolarHBondContact O-CB 3.49Å; T164-A168 PolarHBondContact O-N 2.79Å; A168-L170 HydrophobicContact CB-CD1 3.8Å; A168-L170 HydrophobicContact CB-CG 3.76Å; A168-L170 PolarHBondContact O-N 2.78Å |
| 169 | K | 87.8 | Confident | 92.2 | Very high | 140 Ų | 140 | 45.4 Ų | 45.4 | 61% | 0.609 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 40 | -177.4 | -57.2 | -170.8 | -177 | 177.8 | 0 | 113.1 | V165 | V165-K169 VanDerWaalsContact O-CA 3.26Å; V165-K169 WeakPolarHBondContact O-CA 3.48Å; V165-K169 PolarHBondContact O-N 2.62Å |
| 170 | L | 88.4 | Confident | 92 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | trans | -89.6 | 145.5 | -178.7 | -66.2 | 170.8 | 0 | 0 | 0 | 110.7 | L147 V153 V165 A168 A172 V175 | L147-L170 HydrophobicContact CB-CD1 3.77Å; L147-L170 HydrophobicContact CB-CD2 4.16Å; L147-L170 HydrophobicContact CB-CG 4.35Å; L147-L170 HydrophobicContact CD1-CD1 3.73Å; L147-L170 HydrophobicContact CG-CD1 4.4Å; V153-L170 HydrophobicContact CG2-CD1 3.76Å; V165-L170 WeakPolarHBondContact CG1-O 3.48Å; V165-L170 PolarHBondContact O-N 2.93Å; A168-L170 HydrophobicContact CB-CD1 3.8Å; A168-L170 HydrophobicContact CB-CG 3.76Å; A168-L170 PolarHBondContact O-N 2.78Å; L170-A172 PolarHBondContact O-N 3.03Å; L170-V175 HydrophobicContact CB-CG2 4.47Å | ||
| 171 | P | 90.1 | Very high | 91.8 | Very high | 61 Ų | 61 | 43.9 Ų | 43.9 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | trans | -63.9 | 132.4 | 168.4 | 28 | -33.6 | 0 | 0 | 0 | 109.8 | S173 R174 | P171-S173 PolarHBondContact O-N 3.34Å; P171-R174 HydrophobicContact CG-CB 4.28Å; P171-R174 HydrophobicContact CG-CG 3.8Å; P171-R174 PolarHBondContact O-N 3.39Å | ||
| 172 | A | 92.5 | Very high | 91 | Very high | 53 Ų | 53 | 41.6 Ų | 41.6 | 44% | 0.438 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -58.3 | -22.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K161 V165 L170 R174 V175 | K161-A172 PolarHBondContact NZ-O 3.05Å; V165-A172 HydrophobicContact CG2-CB 4.24Å; L170-A172 PolarHBondContact O-N 3.03Å; A172-R174 PolarHBondContact O-N 3.48Å; A172-V175 PolarHBondContact O-N 3.31Å |
| 173 | S | 92.6 | Very high | 90.2 | Very high | 88 Ų | 88 | 36.9 Ų | 36.9 | 62% | 0.615 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -71 | -6.1 | 174.5 | 67.2 | 0 | 0 | 0 | 0 | 114.5 | P171 | P171-S173 PolarHBondContact O-N 3.34Š|
| 174 | R | 92.6 | Very high | 89.3 | Confident | 29 Ų | 29 | 36.7 Ų | 36.7 | 11% | 0.109 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -101.5 | 0.4 | 171.9 | -71.2 | -175.7 | -176.6 | -161.9 | -2.3 | 113 | L152 V153 P171 A172 | L152-R174 HydrophobicContact CD2-CB 4.22Å; L152-R174 HydrophobicContact CD2-CG 4.46Å; V153-R174 PolarHBondContact N-O 2.97Å; P171-R174 HydrophobicContact CG-CB 4.28Å; P171-R174 HydrophobicContact CG-CG 3.8Å; P171-R174 PolarHBondContact O-N 3.39Å; A172-R174 PolarHBondContact O-N 3.48Å |
| 175 | V | 95.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117 | -172.9 | -168 | 0 | 0 | 0 | 0 | 110.2 | V153 C155 K161 V165 L170 A172 | V153-V175 HydrophobicContact CB-CG1 4.33Å; V153-V175 HydrophobicContact CB-CG2 4.26Å; V153-V175 HydrophobicContact CG1-CG1 4.26Å; V153-V175 CarbonylContact O-C 3.58Å; V153-V175 VanDerWaalsContact O-CA 3.29Å; V153-V175 WeakPolarHBondContact O-CA 3.34Å; C155-V175 HydrophobicContact CB-CG1 4.35Å; C155-V175 WeakPolarHBondContact SG-CG1 3.36Å; K161-V175 HydrophobicContact CB-CG1 4.06Å; K161-V175 HydrophobicContact CD-CB 4.16Å; K161-V175 HydrophobicContact CD-CG1 3.99Å; K161-V175 VanDerWaalsContact CE-O 3.29Å; K161-V175 WeakPolarHBondContact CE-O 2.99Å; K161-V175 HydrophobicContact CG-CB 4.11Å; K161-V175 HydrophobicContact CG-CG1 3.69Å; K161-V175 PolarHBondContact NZ-O 3.07Å; V165-V175 HydrophobicContact CG2-CB 4.28Å; V165-V175 HydrophobicContact CG2-CG2 3.72Å; L170-V175 HydrophobicContact CB-CG2 4.47Å; A172-V175 PolarHBondContact O-N 3.31Å |
| 176 | Y | 97.3 | Very high | 87.7 | Confident | 76 Ų | 76 | 43.5 Ų | 43.5 | 30% | 0.298 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 155.9 | 174.8 | -70.8 | -108.2 | 0 | 0 | 0 | 109.9 | L152 V153 I154 C155 V363 D366 | L152-Y176 HydrophobicContact CD1-CE2 3.87Å; L152-Y176 HydrophobicContact CD2-CD2 4.39Å; L152-Y176 HydrophobicContact CD2-CE2 3.78Å; L152-Y176 HydrophobicContact CG-CE2 4.37Å; V153-Y176 PolarHBondContact O-N 3.16Å; I154-Y176 CarbonylContact C-O 3.59Å; I154-Y176 WeakPolarHBondContact CA-O 3.45Å; C155-Y176 PolarHBondContact N-O 3.34Å; Y176-V363 HydrophobicContact CD1-CG2 3.65Å; Y176-V363 HydrophobicContact CD2-CG1 4.2Å; Y176-V363 HydrophobicContact CD2-CG2 4.11Å; Y176-V363 HydrophobicContact CE1-CG2 4.08Å; Y176-V363 HydrophobicContact CE2-CG1 4.5Å; Y176-V363 HydrophobicContact CG-CG2 3.65Å; Y176-D366 PolarHBondContact OH-OD2 2.91Å |
| 177 | V | 95.8 | Very high | 86.8 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 16% | 0.158 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.3 | 172 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | C155 K161 R359 | C155-V177 WeakPolarHBondContact O-CA 3.47Å; K161-V177 HydrophobicContact CB-CG2 3.75Å; K161-V177 HydrophobicContact CD-CG2 3.54Å; K161-V177 HydrophobicContact CG-CG2 4.28Å; V177-R359 PolarHBondContact O-NH2 3.31Å |
| 178 | I | 94.2 | Very high | 86 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | trans | -133.1 | 104.8 | 175.1 | -54.5 | 178.4 | 0 | 0 | 0 | 106.8 | I154 C155 V356 R359 V363 | I154-I178 HydrophobicContact CD1-CD1 4.09Å; I154-I178 HydrophobicContact CG1-CD1 4.31Å; I154-I178 HydrophobicContact CG2-CB 3.78Å; I154-I178 HydrophobicContact CG2-CD1 4.1Å; I154-I178 HydrophobicContact CG2-CG1 3.97Å; C155-I178 PolarHBondContact O-N 3.08Å; I178-V356 HydrophobicContact CG2-CB 4.37Å; I178-V356 HydrophobicContact CG2-CG1 3.93Å; I178-V356 HydrophobicContact CG2-CG2 4.23Å; I178-R359 HydrophobicContact CD1-CB 3.93Å; I178-R359 HydrophobicContact CG1-CB 4.34Å; I178-R359 HydrophobicContact CG2-CB 4.34Å; I178-V363 HydrophobicContact CD1-CG2 3.94Å | ||
| 179 | P | 90.2 | Very high | 85.2 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 152.2 | -179.7 | 28.7 | -33.9 | 0 | 0 | 0 | 110.9 | V156 Y351 V356 | V156-P179 WeakPolarHBondContact O-CA 3.33Å; P179-Y351 HydrophobicContact CB-CE1 4.29Å; P179-V356 VanDerWaalsContact O-CG2 3.32Å; P179-V356 WeakPolarHBondContact O-CG2 3.21Å |
| 180 | N | 87.6 | Confident | 84.2 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 137.1 | 174.6 | -77.4 | -40.3 | 0 | 0 | 0 | 110.5 | H30 Y287 Y351 | H30-N180 PolarHBondContact CE1-OD1 3.23Å; H30-N180 PolarHBondContact ND1-OD1 3.27Å; N180-Y287 HydrophobicContact CB-CE2 4.27Å; N180-Y351 WeakPolarHBondContact O-CD1 3.35Å |
| 181 | A | 85.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 161.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y287 S352 W353 V356 | A181-Y287 WeakPolarHBondContact O-CE1 3.23Å; A181-Y287 PolarHBondContact O-OH 2.87Å; A181-S352 WeakPolarHBondContact CB-O 3.22Å; A181-W353 HydrophobicContact CB-CB 4.42Å; A181-W353 HydrophobicContact CB-CD2 3.7Å; A181-W353 HydrophobicContact CB-CE3 3.95Å; A181-W353 HydrophobicContact CB-CG 3.91Å; A181-W353 HydrophobicContact CB-CZ3 4.49Å; A181-W353 WeakPolarHBondContact O-CZ2 3.42Å; A181-W353 PolarHBondContact O-NE1 3.45Å; A181-V356 HydrophobicContact CB-CB 4.3Å; A181-V356 HydrophobicContact CB-CG2 3.51Å |
| 182 | L | 78.7 | Confident | 81.3 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | trans | -118.6 | 158.9 | 179.7 | 62.3 | 100.8 | 0 | 0 | 0 | 112.2 | P184 Y287 I290 I347 Y351 | L182-P184 HydrophobicContact CD1-CB 3.94Å; L182-P184 VanDerWaalsContact O-CD 3.25Å; L182-P184 WeakPolarHBondContact O-CD 2.95Å; L182-Y287 HydrophobicContact CB-CD1 3.81Å; L182-Y287 HydrophobicContact CB-CE1 4.09Å; L182-I290 HydrophobicContact CD2-CD1 3.18Å; L182-I290 HydrophobicContact CD2-CG1 3.93Å; L182-I347 HydrophobicContact CD1-CG2 3.92Å; L182-I347 HydrophobicContact CD2-CG2 3.49Å; L182-I347 VanDerWaalsContact CD2-CG2 3.49Å; L182-I347 HydrophobicContact CG-CG2 4.25Å; L182-Y351 HydrophobicContact CD2-CD2 3.78Å; L182-Y351 HydrophobicContact CD2-CG 3.82Å; L182-Y351 HydrophobicContact CG-CG 4.46Å; L182-Y351 PolarHBondContact N-O 3.18Å | ||
| 183 | N | 76.7 | Confident | 79.7 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 19% | 0.187 | 28% | 0.283 | C | S | . | . | trans | -91.6 | 104.7 | 166.3 | -173.7 | -9.2 | 0 | 0 | 0 | 108.8 | D185 Y186 F187 | N183-D185 PolarHBondContact O-N 3.43Å; N183-D185 WeakPolarHBondContact OD1-CB 3.49Å; N183-D185 PolarHBondContact OD1-N 3.42Å; N183-Y186 HydrophobicContact CB-CD2 3.66Å; N183-Y186 HydrophobicContact CB-CE2 3.57Å; N183-Y186 HydrophobicContact CB-CG 4.37Å; N183-Y186 WeakPolarHBondContact ND2-CE2 3.32Å; N183-Y186 PolarHBondContact ND2-OH 3.03Å; N183-Y186 PolarHBondContact O-N 3.05Å; N183-F187 WeakPolarHBondContact O-CD2 3.34Å | ||
| 184 | P | 74.3 | Confident | 78.3 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 10% | 0.104 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -64.8 | -29.4 | -173.7 | 25.4 | -33.7 | 0 | 0 | 0 | 110.9 | L182 Y186 F187 H344 R348 | L182-P184 HydrophobicContact CD1-CB 3.94Å; L182-P184 VanDerWaalsContact O-CD 3.25Å; L182-P184 WeakPolarHBondContact O-CD 2.95Å; P184-Y186 PolarHBondContact O-N 3.13Å; P184-F187 PolarHBondContact O-N 3.34Å; P184-H344 PolarHBondContact O-CE1 3.02Å; P184-H344 VanDerWaalsContact O-CE1 3.23Å; P184-R348 HydrophobicContact CB-CB 4Å; P184-R348 HydrophobicContact CB-CG 4.21Å; P184-R348 HydrophobicContact CG-CB 4.17Å; P184-R348 HydrophobicContact CG-CG 3.86Å |
| 185 | D | 76.9 | Confident | 77.2 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -60.8 | -22.3 | -175.7 | -60.6 | -27.8 | 0 | 0 | 0 | 112.9 | N183 F187 R348 | N183-D185 PolarHBondContact O-N 3.43Å; N183-D185 WeakPolarHBondContact OD1-CB 3.49Å; N183-D185 PolarHBondContact OD1-N 3.42Å; D185-F187 VanDerWaalsContact C-N 3.3Å; D185-F187 PolarHBondContact O-N 2.93Å; D185-R348 IonicContact OD1-CZ 3.27Å; D185-R348 IonicContact OD1-NH1 3.79Å; D185-R348 PolarHBondContact OD1-NH1 3.09Å; D185-R348 IonicContact OD1-NH2 3.59Å; D185-R348 PolarHBondContact OD1-NH2 2.85Å |
| 186 | Y | 74.2 | Confident | 76.5 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 30% | 0.302 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -75.2 | -17.7 | 175.2 | -60.2 | -30.3 | 0 | 0 | 0 | 114.2 | N183 P184 N264 G267 | N183-Y186 HydrophobicContact CB-CD2 3.66Å; N183-Y186 HydrophobicContact CB-CE2 3.57Å; N183-Y186 HydrophobicContact CB-CG 4.37Å; N183-Y186 WeakPolarHBondContact ND2-CE2 3.32Å; N183-Y186 PolarHBondContact ND2-OH 3.03Å; N183-Y186 PolarHBondContact O-N 3.05Å; P184-Y186 PolarHBondContact O-N 3.13Å; Y186-N264 HydrophobicContact CD1-CB 4.47Å; Y186-N264 HydrophobicContact CE1-CB 4.5Å; Y186-G267 WeakPolarHBondContact O-CA 3.49Å; Y186-G267 PolarHBondContact O-N 3.32Å |
| 187 | F | 72.6 | Confident | 76.1 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -119.3 | 20.7 | -172.3 | -54.4 | -75.7 | 0 | 0 | 0 | 112.2 | N183 P184 D185 P189 M266 N289 S291 | N183-F187 WeakPolarHBondContact O-CD2 3.34Å; P184-F187 PolarHBondContact O-N 3.34Å; D185-F187 VanDerWaalsContact C-N 3.3Å; D185-F187 PolarHBondContact O-N 2.93Å; F187-P189 WeakPolarHBondContact O-CD 3.25Å; F187-P189 VanDerWaalsContact O-N 3.13Å; F187-M266 HydrophobicContact CD1-CB 4.5Å; F187-M266 HydrophobicContact CE1-CB 3.94Å; F187-N289 WeakPolarHBondContact CE1-OD1 3.46Å; F187-S291 WeakPolarHBondContact CB-OG 3.48Å; F187-S291 VanDerWaalsContact O-CB 3.25Å; F187-S291 WeakPolarHBondContact O-CB 3.31Å; F187-S291 PolarHBondContact O-OG 3.13Å |
| 188 | K | 73.6 | Confident | 76 | Confident | 130 Ų | 130 | 55.6 Ų | 55.6 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | trans | -58 | 120.9 | 179.9 | -171 | 176.3 | 180 | 178.7 | 0 | 110.4 | ||||
| 189 | P | 72.2 | Confident | 76 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | trans | -70.5 | 155.7 | 179.1 | 29 | -33.9 | 0 | 0 | 0 | 110.8 | F187 P340 M341 H344 | F187-P189 WeakPolarHBondContact O-CD 3.25Å; F187-P189 VanDerWaalsContact O-N 3.13Å; P189-P340 HydrophobicContact CB-CB 3.75Å; P189-P340 HydrophobicContact CG-CB 4.24Å; P189-M341 HydrophobicContact CG-CB 4.48Å; P189-M341 HydrophobicContact CG-CE 3.87Å; P189-M341 HydrophobicContact CG-SD 3.99Å; P189-H344 HydrophobicContact CG-CB 3.92Å | ||
| 190 | A | 66.4 | Low | 76.1 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | trans | -114.5 | 143.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V192 M271 | A190-V192 VanDerWaalsContact C-N 3.3Å; A190-V192 HydrophobicContact CB-CG2 4.28Å; A190-V192 PolarHBondContact O-N 2.92Å; A190-M271 HydrophobicContact CB-CB 4.3Å; A190-M271 HydrophobicContact CB-CG 3.64Å; A190-M271 HydrophobicContact CB-SD 3.61Å | ||
| 191 | P | 58.4 | Low | 76.3 | Confident | 134 Ų | 134 | 53 Ų | 53 | 87% | 0.87 | 28% | 0.283 | S | S | * | . | trans | -73.5 | 85.5 | 177.7 | 30.5 | -33.2 | 0 | 0 | 0 | 109.2 | ||||
| 192 | V | 59.1 | Low | 76.5 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | trans | -123.1 | 111.3 | 171.7 | -169.8 | 0 | 0 | 0 | 0 | 107.7 | A190 H194 | A190-V192 VanDerWaalsContact C-N 3.3Å; A190-V192 HydrophobicContact CB-CG2 4.28Å; A190-V192 PolarHBondContact O-N 2.92Å; V192-H194 WeakPolarHBondContact CG1-CE1 3.44Å; V192-H194 PolarHBondContact O-CD2 3.5Å | ||
| 193 | K | 58.9 | Low | 76.8 | Confident | 191 Ų | 191 | 56 Ų | 56 | 83% | 0.83 | 31% | 0.312 | S | S | * | . | trans | -81.1 | 121.4 | 166.9 | -76.8 | -169.7 | 175.4 | -171.9 | 0 | 107.9 | ||||
| 194 | H | 63.7 | Low | 77.3 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 19% | 0.185 | 33% | 0.326 | C | S | . | . | trans | -99.4 | 137.7 | 177.3 | -60.1 | -73.6 | 0 | 0 | 0 | 109.5 | V192 S196 M271 Y332 | V192-H194 WeakPolarHBondContact CG1-CE1 3.44Å; V192-H194 PolarHBondContact O-CD2 3.5Å; H194-S196 WeakPolarHBondContact CB-O 3.21Å; H194-M271 PolarHBondContact NE2-O 3.19Å; H194-Y332 PolarHBondContact O-OH 3.3Å | ||
| 195 | N | 68.7 | Low | 78 | Confident | 176 Ų | 176 | 60 Ų | 60 | 94% | 0.941 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -72.3 | -23.2 | 171 | -72.8 | -10.7 | 0 | 0 | 0 | 111.8 | ||
| 196 | S | 82.3 | Confident | 78.6 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -105.6 | 157.1 | 173.1 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | H194 C227 | H194-S196 WeakPolarHBondContact CB-O 3.21Å; S196-C227 WeakPolarHBondContact CB-O 3Å |
| 197 | I | 89.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 110.3 | 173.7 | -61.7 | 175.7 | 0 | 0 | 0 | 107.5 | I199 C227 V228 D229 V274 I275 I329 Y332 W333 | I197-I199 HydrophobicContact CG2-CD1 4.32Å; I197-I199 HydrophobicContact CG2-CG1 3.88Å; I197-C227 PolarHBondContact N-O 2.89Å; I197-V228 HydrophobicContact CB-CG2 4.12Å; I197-V228 HydrophobicContact CD1-CG2 4.44Å; I197-V228 CarbonylContact O-C 3.44Å; I197-V228 VanDerWaalsContact O-CA 3.29Å; I197-V228 WeakPolarHBondContact O-CA 2.94Å; I197-D229 PolarHBondContact O-N 3.1Å; I197-V274 HydrophobicContact CG2-CB 4.47Å; I197-I275 HydrophobicContact CG2-CD1 4.34Å; I197-I329 HydrophobicContact CD1-CB 4.34Å; I197-I329 HydrophobicContact CD1-CG1 4.25Å; I197-I329 HydrophobicContact CD1-CG2 3.72Å; I197-Y332 HydrophobicContact CD1-CD1 3.61Å; I197-Y332 HydrophobicContact CD1-CE1 4.19Å; I197-Y332 HydrophobicContact CD1-CG 4.46Å; I197-Y332 HydrophobicContact CG1-CD1 3.6Å; I197-Y332 HydrophobicContact CG1-CE1 3.67Å; I197-W333 HydrophobicContact CD1-CZ2 4.02Å |
| 198 | T | 92.2 | Very high | 80 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.1 | 169.5 | -47.7 | 0 | 0 | 0 | 0 | 109.8 | D229 I231 L272 C273 V274 | T198-D229 CarbonylContact C-O 3.55Å; T198-D229 WeakPolarHBondContact CA-O 3.35Å; T198-D229 HydrophobicContact CG2-CB 4.44Å; T198-I231 HydrophobicContact CG2-CD1 3.61Å; T198-I231 HydrophobicContact CG2-CG1 3.67Å; T198-L272 WeakPolarHBondContact CB-O 3.49Å; T198-L272 PolarHBondContact OG1-O 3.49Å; T198-C273 CarbonylContact O-C 3.56Å; T198-C273 VanDerWaalsContact O-CA 3.25Å; T198-C273 WeakPolarHBondContact O-CA 3.25Å; T198-C273 WeakPolarHBondContact O-CB 3.48Å; T198-V274 PolarHBondContact O-N 3.47Å |
| 199 | I | 93.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.8 | -179 | -51.9 | -173.4 | 0 | 0 | 0 | 109.3 | I197 V228 D229 F230 I231 I275 I277 L325 I329 | I197-I199 HydrophobicContact CG2-CD1 4.32Å; I197-I199 HydrophobicContact CG2-CG1 3.88Å; I199-V228 HydrophobicContact CD1-CG1 3.64Å; I199-V228 HydrophobicContact CG1-CG1 4.07Å; I199-D229 PolarHBondContact N-O 2.78Å; I199-F230 HydrophobicContact CB-CD1 3.82Å; I199-F230 HydrophobicContact CB-CE1 3.83Å; I199-F230 HydrophobicContact CD1-CE1 4.06Å; I199-F230 HydrophobicContact CD1-CZ 4.17Å; I199-F230 HydrophobicContact CG1-CE1 4.41Å; I199-F230 HydrophobicContact CG2-CD1 4.17Å; I199-F230 HydrophobicContact CG2-CE1 3.99Å; I199-F230 CarbonylContact O-C 3.59Å; I199-F230 VanDerWaalsContact O-CA 3.28Å; I199-F230 WeakPolarHBondContact O-CA 3.33Å; I199-I231 PolarHBondContact O-N 3.37Å; I199-I275 CarbonylContact C-O 3.41Å; I199-I275 WeakPolarHBondContact CA-O 3.49Å; I199-I275 HydrophobicContact CD1-CD1 4.4Å; I199-I275 HydrophobicContact CG1-CB 4.2Å; I199-I275 HydrophobicContact CG2-CB 4.09Å; I199-I275 HydrophobicContact CG2-CG2 4.04Å; I199-I277 HydrophobicContact CG2-CD1 3.37Å; I199-I277 HydrophobicContact CG2-CG1 3.48Å; I199-I277 VanDerWaalsContact CG2-CG1 3.48Å; I199-L325 HydrophobicContact CD1-CD2 3.86Å; I199-I329 HydrophobicContact CD1-CD1 4.28Å |
| 200 | I | 92.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.9 | -179.7 | -167.2 | 171.5 | 0 | 0 | 0 | 111.8 | I231 A233 M266 V269 C273 I275 C276 I277 L292 | I200-I231 CarbonylContact C-O 3.51Å; I200-I231 WeakPolarHBondContact CA-O 3.13Å; I200-I231 HydrophobicContact CG1-CG2 4.49Å; I200-A233 HydrophobicContact CD1-CB 4.06Å; I200-A233 HydrophobicContact CG1-CB 4.31Å; I200-M266 HydrophobicContact CD1-CE 4.02Å; I200-V269 HydrophobicContact CD1-CB 4.44Å; I200-V269 HydrophobicContact CD1-CG1 3.69Å; I200-C273 HydrophobicContact CB-CB 4.1Å; I200-C273 HydrophobicContact CG2-CB 4.11Å; I200-I275 PolarHBondContact N-O 3.21Å; I200-C276 HydrophobicContact CG2-CB 3.87Å; I200-C276 CarbonylContact O-C 3.59Å; I200-C276 WeakPolarHBondContact O-CA 3.24Å; I200-I277 PolarHBondContact O-N 3.46Å; I200-L292 HydrophobicContact CG2-CD1 3.64Å |
| 201 | V | 92.6 | Very high | 82.9 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.6 | 160.7 | -171.9 | 0 | 0 | 0 | 0 | 107.8 | L214 I231 I232 A233 I277 | V201-L214 HydrophobicContact CB-CD2 4.17Å; V201-L214 HydrophobicContact CG1-CD2 3.91Å; V201-L214 HydrophobicContact CG2-CD1 3.87Å; V201-L214 HydrophobicContact CG2-CD2 3.88Å; V201-I231 PolarHBondContact N-O 2.82Å; V201-I232 HydrophobicContact CB-CD1 3.74Å; V201-I232 HydrophobicContact CG2-CD1 3.81Å; V201-I232 CarbonylContact O-C 3.48Å; V201-I232 WeakPolarHBondContact O-CA 3.41Å; V201-A233 PolarHBondContact O-N 3.47Å; V201-I277 HydrophobicContact CG2-CB 4.15Å; V201-I277 HydrophobicContact CG2-CD1 4.46Å |
| 202 | A | 88.4 | Confident | 84.6 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 141.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A233 M266 N289 | A202-A233 VanDerWaalsContact CA-O 3.3Å; A202-A233 WeakPolarHBondContact CA-O 3.46Å; A202-A233 HydrophobicContact CB-CB 4.13Å; A202-M266 HydrophobicContact CB-CE 3.78Å; A202-N289 WeakPolarHBondContact CB-ND2 3.41Å |
| 203 | G | 85.7 | Confident | 86.4 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 34% | 0.34 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 130.4 | -169.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M205 A233 G234 | G203-M205 WeakPolarHBondContact O-CE 3.26Å; G203-A233 PolarHBondContact N-O 3.4Å; G203-G234 WeakPolarHBondContact O-CA 3.49Å |
| 204 | R | 86.7 | Confident | 88.2 | Confident | 131 Ų | 131 | 45.4 Ų | 45.4 | 49% | 0.494 | 23% | 0.225 | S | C | . | . | trans | -75.7 | 132.7 | -178.6 | -161.2 | 178.6 | 176.5 | 149 | -9.2 | 110.9 | V206 K209 D235 | R204-V206 VanDerWaalsContact C-N 3.35Å; R204-V206 HydrophobicContact CB-CG2 4.39Å; R204-V206 HydrophobicContact CG-CG1 3.98Å; R204-V206 PolarHBondContact O-N 2.83Å; R204-K209 WeakPolarHBondContact O-CB 3.27Å; R204-K209 WeakPolarHBondContact O-CG 3.32Å; R204-D235 CarbonylContact C-O 3.56Å; R204-D235 VanDerWaalsContact CA-O 3.29Å; R204-D235 WeakPolarHBondContact CA-O 3.39Å; R204-D235 VanDerWaalsContact CG-O 3.29Å; R204-D235 WeakPolarHBondContact CG-O 3.42Å | ||
| 205 | M | 90.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | trans | -79.5 | 80.9 | 179.3 | -58.3 | -61.1 | 134.9 | 0 | 0 | 110.7 | G203 V211 I232 D235 G236 P237 K238 R239 L242 | G203-M205 WeakPolarHBondContact O-CE 3.26Å; M205-V211 HydrophobicContact CB-CG2 4.08Å; M205-V211 HydrophobicContact SD-CG2 3.99Å; M205-I232 HydrophobicContact CE-CG2 3.3Å; M205-I232 HydrophobicContact CG-CG2 4.46Å; M205-I232 HydrophobicContact SD-CG2 3.59Å; M205-I232 VanDerWaalsContact SD-CG2 3.59Å; M205-D235 PolarHBondContact N-O 3.16Å; M205-G236 CarbonylContact O-C 3.58Å; M205-G236 WeakPolarHBondContact O-CA 3.45Å; M205-P237 WeakPolarHBondContact O-CD 3.19Å; M205-K238 WeakPolarHBondContact O-CB 3.41Å; M205-K238 PolarHBondContact O-N 3Å; M205-R239 HydrophobicContact CB-CB 4.47Å; M205-L242 HydrophobicContact CG-CD1 4.39Å; M205-L242 HydrophobicContact SD-CD1 3.63Å | ||
| 206 | V | 89.2 | Confident | 91.1 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -133.4 | 157.8 | -179.1 | -70.2 | 0 | 0 | 0 | 0 | 111.1 | R204 R208 K209 P237 | R204-V206 VanDerWaalsContact C-N 3.35Å; R204-V206 HydrophobicContact CB-CG2 4.39Å; R204-V206 HydrophobicContact CG-CG1 3.98Å; R204-V206 PolarHBondContact O-N 2.83Å; V206-R208 VanDerWaalsContact C-N 3.3Å; V206-R208 HydrophobicContact CB-CG 4.45Å; V206-R208 HydrophobicContact CG2-CG 3.55Å; V206-R208 PolarHBondContact O-N 3.08Å; V206-K209 HydrophobicContact CG2-CB 4.12Å; V206-K209 HydrophobicContact CG2-CG 3.74Å; V206-K209 WeakPolarHBondContact O-CA 2.97Å; V206-K209 WeakPolarHBondContact O-CB 3.44Å; V206-K209 PolarHBondContact O-N 3.03Å; V206-P237 HydrophobicContact CG1-CG 3.86Å |
| 207 | Y | 89.2 | Confident | 91.9 | Very high | 152 Ų | 152 | 35.6 Ų | 35.6 | 60% | 0.596 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -49.4 | -46.7 | -179.8 | 178 | -98.8 | 0 | 0 | 0 | 113.3 | K209 G210 D212 V281 | Y207-K209 PolarHBondContact O-N 3.23Å; Y207-K209 VanDerWaalsContact O-N 3.08Å; Y207-G210 WeakPolarHBondContact O-CA 3.16Å; Y207-G210 PolarHBondContact O-N 3.01Å; Y207-D212 WeakPolarHBondContact CD2-OD2 3.43Å; Y207-V281 HydrophobicContact CD1-CG2 4.37Å; Y207-V281 HydrophobicContact CE1-CG2 4.16Å |
| 208 | R | 86.2 | Confident | 92.2 | Very high | 151 Ų | 151 | 35.5 Ų | 35.5 | 57% | 0.57 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -59.9 | -23.8 | 179.8 | 64.8 | 174.3 | -179.3 | 139.8 | -4.3 | 114.5 | V206 G210 V281 | V206-R208 VanDerWaalsContact C-N 3.3Å; V206-R208 HydrophobicContact CB-CG 4.45Å; V206-R208 HydrophobicContact CG2-CG 3.55Å; V206-R208 PolarHBondContact O-N 3.08Å; R208-G210 VanDerWaalsContact C-N 3.29Å; R208-V281 WeakPolarHBondContact O-CG2 3.42Å; R208-V281 PolarHBondContact O-N 3.01Å; R208-V281 VanDerWaalsContact O-N 3.11Å |
| 209 | K | 87.9 | Confident | 92.5 | Very high | 59 Ų | 59 | 35.7 Ų | 35.7 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -87.9 | 4.2 | 175.5 | -68.3 | -62.5 | -170.3 | 174.9 | 0 | 112.9 | R204 V206 Y207 C280 | R204-K209 WeakPolarHBondContact O-CB 3.27Å; R204-K209 WeakPolarHBondContact O-CG 3.32Å; V206-K209 HydrophobicContact CG2-CB 4.12Å; V206-K209 HydrophobicContact CG2-CG 3.74Å; V206-K209 WeakPolarHBondContact O-CA 2.97Å; V206-K209 WeakPolarHBondContact O-CB 3.44Å; V206-K209 PolarHBondContact O-N 3.03Å; Y207-K209 PolarHBondContact O-N 3.23Å; Y207-K209 VanDerWaalsContact O-N 3.08Å; K209-C280 VanDerWaalsContact CD-SG 3.57Å |
| 210 | G | 91.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 28.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y207 R208 D212 L213 L214 P279 | Y207-G210 WeakPolarHBondContact O-CA 3.16Å; Y207-G210 PolarHBondContact O-N 3.01Å; R208-G210 VanDerWaalsContact C-N 3.29Å; G210-D212 PolarHBondContact O-N 3.23Å; G210-L213 WeakPolarHBondContact O-CB 3.37Å; G210-L213 PolarHBondContact O-N 3.03Å; G210-L214 PolarHBondContact O-N 3.48Å; G210-P279 VanDerWaalsContact CA-O 3.25Å; G210-P279 WeakPolarHBondContact CA-O 3.05Å |
| 211 | V | 94 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -34.8 | 178.3 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | M205 L214 A215 K238 L241 L242 | M205-V211 HydrophobicContact CB-CG2 4.08Å; M205-V211 HydrophobicContact SD-CG2 3.99Å; V211-L214 WeakPolarHBondContact O-CB 3.23Å; V211-L214 PolarHBondContact O-N 3.36Å; V211-A215 WeakPolarHBondContact O-CB 3.49Å; V211-A215 PolarHBondContact O-N 3.39Å; V211-K238 HydrophobicContact CB-CB 4Å; V211-K238 HydrophobicContact CG1-CB 3.79Å; V211-K238 HydrophobicContact CG2-CB 4.33Å; V211-L241 HydrophobicContact CG1-CD2 4.49Å; V211-L242 HydrophobicContact CG1-CD1 3.94Å; V211-L242 HydrophobicContact CG1-CD2 3.84Å; V211-L242 HydrophobicContact CG1-CG 3.67Å |
| 212 | D | 95 | Very high | 93 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 176.3 | -59.6 | -108.4 | 0 | 0 | 0 | 112.4 | Y207 G210 K238 | Y207-D212 WeakPolarHBondContact CD2-OD2 3.43Å; G210-D212 PolarHBondContact O-N 3.23Å; D212-K238 IonicContact OD1-NZ 3.54Å; D212-K238 PolarHBondContact OD1-NZ 3.16Å; D212-K238 IonicContact OD2-NZ 3.71Å |
| 213 | L | 96.2 | Very high | 93.3 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.8 | -46.2 | 171.9 | -65.4 | 175 | 0 | 0 | 0 | 110.4 | G210 A215 S216 V217 V281 I318 I321 | G210-L213 WeakPolarHBondContact O-CB 3.37Å; G210-L213 PolarHBondContact O-N 3.03Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.78Å; L213-S216 PolarHBondContact O-N 2.8Å; L213-V217 WeakPolarHBondContact O-CG2 3.26Å; L213-V217 PolarHBondContact O-N 2.93Å; L213-V281 HydrophobicContact CD1-CG1 3.97Å; L213-I318 HydrophobicContact CD2-CG1 3.87Å; L213-I321 HydrophobicContact CB-CD1 3.96Å; L213-I321 HydrophobicContact CD1-CD1 3.91Å |
| 214 | L | 96.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | -178.9 | -177.6 | 64.9 | 0 | 0 | 0 | 112.3 | V201 G210 V211 S216 V217 L218 I232 L242 P279 | V201-L214 HydrophobicContact CB-CD2 4.17Å; V201-L214 HydrophobicContact CG1-CD2 3.91Å; V201-L214 HydrophobicContact CG2-CD1 3.87Å; V201-L214 HydrophobicContact CG2-CD2 3.88Å; G210-L214 PolarHBondContact O-N 3.48Å; V211-L214 WeakPolarHBondContact O-CB 3.23Å; V211-L214 PolarHBondContact O-N 3.36Å; L214-S216 PolarHBondContact O-N 3.35Å; L214-V217 PolarHBondContact O-N 2.75Å; L214-V217 VanDerWaalsContact O-N 3.1Å; L214-L218 HydrophobicContact CD1-CD1 4.24Å; L214-L218 HydrophobicContact CD1-CD2 4.09Å; L214-L218 HydrophobicContact CD1-CG 3.89Å; L214-L218 HydrophobicContact CD2-CD1 4.44Å; L214-L218 HydrophobicContact CG-CD1 3.83Å; L214-L218 HydrophobicContact CG-CG 4Å; L214-L218 VanDerWaalsContact O-CG 3.23Å; L214-L218 WeakPolarHBondContact O-CG 3.16Å; L214-L218 PolarHBondContact O-N 3.34Å; L214-I232 HydrophobicContact CD2-CD1 3.96Å; L214-L242 HydrophobicContact CD2-CD1 4.38Å; L214-L242 HydrophobicContact CD2-CD2 4.14Å; L214-L242 HydrophobicContact CG-CD2 4.3Å; L214-P279 HydrophobicContact CB-CG 4.21Å |
| 215 | A | 97.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.2 | -31.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V211 L213 P219 L241 L242 T245 | V211-A215 WeakPolarHBondContact O-CB 3.49Å; V211-A215 PolarHBondContact O-N 3.39Å; L213-A215 VanDerWaalsContact C-N 3.32Å; L213-A215 PolarHBondContact O-N 2.78Å; A215-P219 WeakPolarHBondContact O-CD 3.49Å; A215-L241 HydrophobicContact CB-CD1 4.4Å; A215-L241 HydrophobicContact CB-CD2 3.98Å; A215-L241 HydrophobicContact CB-CG 3.89Å; A215-L242 HydrophobicContact CB-CD2 4.28Å; A215-T245 WeakPolarHBondContact O-CG2 3.38Å |
| 216 | S | 97.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -85.1 | -34.3 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | L213 L214 P219 M220 | L213-S216 PolarHBondContact O-N 2.8Å; L214-S216 PolarHBondContact O-N 3.35Å; S216-P219 WeakPolarHBondContact O-CD 3.49Å; S216-P219 WeakPolarHBondContact O-CG 3.45Å; S216-M220 WeakPolarHBondContact O-CG 3.14Å |
| 217 | V | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.6 | -43.5 | -179.4 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | L213 L214 M220 V221 I318 I321 V322 L325 | L213-V217 WeakPolarHBondContact O-CG2 3.26Å; L213-V217 PolarHBondContact O-N 2.93Å; L214-V217 PolarHBondContact O-N 2.75Å; L214-V217 VanDerWaalsContact O-N 3.1Å; V217-M220 PolarHBondContact O-N 2.93Å; V217-M220 VanDerWaalsContact O-N 3.16Å; V217-V221 HydrophobicContact CG1-CG2 3.9Å; V217-V221 WeakPolarHBondContact O-CG2 2.97Å; V217-V221 PolarHBondContact O-N 2.98Å; V217-I318 HydrophobicContact CG2-CG2 4.02Å; V217-I321 HydrophobicContact CB-CG2 4.47Å; V217-I321 HydrophobicContact CG1-CG2 3.9Å; V217-I321 HydrophobicContact CG2-CB 3.91Å; V217-I321 HydrophobicContact CG2-CD1 4.35Å; V217-I321 HydrophobicContact CG2-CG2 3.84Å; V217-V322 HydrophobicContact CG1-CG2 4.12Å; V217-V322 HydrophobicContact CG2-CG2 4.3Å; V217-L325 HydrophobicContact CG1-CD1 3.75Å |
| 218 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -50.8 | -55.6 | -176.2 | -73.5 | 167.4 | 0 | 0 | 0 | 113.7 | L214 M220 V221 C222 F230 L242 L255 | L214-L218 HydrophobicContact CD1-CD1 4.24Å; L214-L218 HydrophobicContact CD1-CD2 4.09Å; L214-L218 HydrophobicContact CD1-CG 3.89Å; L214-L218 HydrophobicContact CD2-CD1 4.44Å; L214-L218 HydrophobicContact CG-CD1 3.83Å; L214-L218 HydrophobicContact CG-CG 4Å; L214-L218 VanDerWaalsContact O-CG 3.23Å; L214-L218 WeakPolarHBondContact O-CG 3.16Å; L214-L218 PolarHBondContact O-N 3.34Å; L218-M220 VanDerWaalsContact C-N 3.31Å; L218-M220 PolarHBondContact O-N 3.48Å; L218-V221 PolarHBondContact O-N 3.09Å; L218-C222 WeakPolarHBondContact O-CB 3.04Å; L218-C222 PolarHBondContact O-N 2.94Å; L218-C222 PolarHBondContact O-SG 3.47Å; L218-F230 HydrophobicContact CD2-CB 3.85Å; L218-F230 HydrophobicContact CD2-CD1 3.34Å; L218-F230 HydrophobicContact CD2-CD2 3.64Å; L218-F230 HydrophobicContact CD2-CE1 3.66Å; L218-F230 HydrophobicContact CD2-CE2 3.94Å; L218-F230 HydrophobicContact CD2-CG 3.31Å; L218-F230 HydrophobicContact CD2-CZ 3.95Å; L218-L242 HydrophobicContact CD1-CD2 3.92Å; L218-L255 HydrophobicContact CD1-CD1 4.07Å; L218-L255 HydrophobicContact CD1-CD2 3.86Å; L218-L255 HydrophobicContact CD2-CD1 4.11Å |
| 219 | P | 97.1 | Very high | 94.9 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -34.8 | -179.7 | 25.1 | -34.6 | 0 | 0 | 0 | 112.8 | A215 S216 S223 H249 L251 | A215-P219 WeakPolarHBondContact O-CD 3.49Å; S216-P219 WeakPolarHBondContact O-CD 3.49Å; S216-P219 WeakPolarHBondContact O-CG 3.45Å; P219-S223 VanDerWaalsContact O-CB 3.31Å; P219-S223 WeakPolarHBondContact O-CB 3.47Å; P219-S223 PolarHBondContact O-N 3.18Å; P219-S223 PolarHBondContact O-OG 3.07Å; P219-H249 HydrophobicContact CB-CB 4.11Å; P219-L251 HydrophobicContact CB-CD1 4.36Å |
| 220 | M | 97.4 | Very high | 95.2 | Very high | 78 Ų | 78 | 34.3 Ų | 34.3 | 38% | 0.384 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.2 | -49.3 | 178.8 | -64 | -177.4 | -163.2 | 0 | 0 | 111.1 | S216 V217 L218 S223 R224 I318 V322 | S216-M220 WeakPolarHBondContact O-CG 3.14Å; V217-M220 PolarHBondContact O-N 2.93Å; V217-M220 VanDerWaalsContact O-N 3.16Å; L218-M220 VanDerWaalsContact C-N 3.31Å; L218-M220 PolarHBondContact O-N 3.48Å; M220-S223 PolarHBondContact O-N 2.62Å; M220-S223 PolarHBondContact O-OG 3.13Å; M220-R224 PolarHBondContact O-N 2.62Å; M220-I318 HydrophobicContact CE-CG2 3.57Å; M220-I318 HydrophobicContact SD-CG2 3.79Å; M220-V322 HydrophobicContact CB-CG2 4.21Å; M220-V322 HydrophobicContact SD-CG2 4.08Å |
| 221 | V | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | -179.7 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | V217 L218 S223 R224 Y225 V228 F230 V322 L325 I329 | V217-V221 HydrophobicContact CG1-CG2 3.9Å; V217-V221 WeakPolarHBondContact O-CG2 2.97Å; V217-V221 PolarHBondContact O-N 2.98Å; L218-V221 PolarHBondContact O-N 3.09Å; V221-S223 VanDerWaalsContact C-N 3.3Å; V221-S223 PolarHBondContact O-N 3.15Å; V221-R224 PolarHBondContact O-N 3.23Å; V221-R224 VanDerWaalsContact O-N 3.14Å; V221-Y225 HydrophobicContact CG1-CD2 4.03Å; V221-Y225 PolarHBondContact O-N 2.89Å; V221-Y225 VanDerWaalsContact O-N 3.08Å; V221-V228 HydrophobicContact CG1-CG1 4.02Å; V221-F230 HydrophobicContact CB-CE2 4.25Å; V221-F230 HydrophobicContact CB-CZ 3.94Å; V221-F230 HydrophobicContact CG1-CE2 4.13Å; V221-F230 HydrophobicContact CG1-CZ 3.78Å; V221-V322 HydrophobicContact CG2-CG2 4.35Å; V221-L325 HydrophobicContact CG2-CD1 3.88Å; V221-I329 HydrophobicContact CG1-CD1 4.23Å |
| 222 | C | 95.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -38 | 176.8 | -73.1 | 0 | 0 | 0 | 0 | 112.8 | L218 R224 F230 L251 | L218-C222 WeakPolarHBondContact O-CB 3.04Å; L218-C222 PolarHBondContact O-N 2.94Å; L218-C222 PolarHBondContact O-SG 3.47Å; C222-R224 VanDerWaalsContact C-N 3.29Å; C222-R224 PolarHBondContact O-N 2.77Å; C222-F230 VanDerWaalsContact SG-CE2 3.58Å; C222-L251 HydrophobicContact CB-CD2 3.67Å |
| 223 | S | 95.2 | Very high | 95.3 | Very high | 99 Ų | 99 | 32.2 Ų | 32.2 | 69% | 0.692 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -70.7 | -24.2 | 177.7 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | P219 M220 V221 | P219-S223 VanDerWaalsContact O-CB 3.31Å; P219-S223 WeakPolarHBondContact O-CB 3.47Å; P219-S223 PolarHBondContact O-N 3.18Å; P219-S223 PolarHBondContact O-OG 3.07Å; M220-S223 PolarHBondContact O-N 2.62Å; M220-S223 PolarHBondContact O-OG 3.13Å; V221-S223 VanDerWaalsContact C-N 3.3Å; V221-S223 PolarHBondContact O-N 3.15Å |
| 224 | R | 95.6 | Very high | 95 | Very high | 128 Ų | 128 | 31.1 Ų | 31.1 | 48% | 0.483 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -87.4 | -31.2 | -179.1 | -177.4 | 174.8 | -74.2 | 176.3 | -6.3 | 112.6 | M220 V221 C222 D326 | M220-R224 PolarHBondContact O-N 2.62Å; V221-R224 PolarHBondContact O-N 3.23Å; V221-R224 VanDerWaalsContact O-N 3.14Å; C222-R224 VanDerWaalsContact C-N 3.29Å; C222-R224 PolarHBondContact O-N 2.77Å; R224-D326 WeakPolarHBondContact CD-OD1 3Å; R224-D326 IonicContact CZ-OD1 3.71Å; R224-D326 IonicContact CZ-OD2 3.41Å; R224-D326 IonicContact NH1-OD1 3.79Å; R224-D326 PolarHBondContact NH1-OD1 3.43Å; R224-D326 IonicContact NH1-OD2 3.59Å; R224-D326 PolarHBondContact NH1-OD2 2.74Å |
| 225 | Y | 94.6 | Very high | 94.7 | Very high | 28 Ų | 28 | 33.7 Ų | 33.7 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | trans | -131.8 | 108.8 | -173.1 | -60.4 | -63.1 | 0 | 0 | 0 | 111.3 | V221 C227 V228 R254 D326 I329 W333 | V221-Y225 HydrophobicContact CG1-CD2 4.03Å; V221-Y225 PolarHBondContact O-N 2.89Å; V221-Y225 VanDerWaalsContact O-N 3.08Å; Y225-C227 PolarHBondContact O-N 3.43Å; Y225-V228 VanDerWaalsContact CB-CG2 3.41Å; Y225-V228 HydrophobicContact CD2-CG2 4.22Å; Y225-V228 HydrophobicContact CG-CG2 3.99Å; Y225-V228 PolarHBondContact O-N 3.42Å; Y225-R254 PolarHBondContact O-NH2 3.47Å; Y225-D326 WeakPolarHBondContact CE2-OD1 3.28Å; Y225-D326 PolarHBondContact OH-OD1 3.09Å; Y225-D326 VanDerWaalsContact OH-OD1 3.13Å; Y225-I329 HydrophobicContact CD2-CD1 3.82Å; Y225-I329 HydrophobicContact CE1-CG2 4.34Å; Y225-I329 HydrophobicContact CE2-CD1 3.72Å; Y225-I329 HydrophobicContact CE2-CG2 4.4Å; Y225-W333 AromaticContact CD1-CH2 3.49Å; Y225-W333 HydrophobicContact CD1-CH2 3.49Å; Y225-W333 VanDerWaalsContact CD1-CH2 3.49Å; Y225-W333 HydrophobicContact CD1-CZ2 4.47Å; Y225-W333 HydrophobicContact CD1-CZ3 4.17Å; Y225-W333 AromaticContact CE1-CH2 3.59Å; Y225-W333 HydrophobicContact CE1-CH2 3.59Å; Y225-W333 AromaticContact CE1-CZ3 3.78Å; Y225-W333 HydrophobicContact CE1-CZ3 3.78Å; Y225-W333 HydrophobicContact CG-CH2 4.4Å | ||
| 226 | D | 90.7 | Very high | 94.4 | Very high | 141 Ų | 141 | 34 Ų | 34 | 75% | 0.754 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.5 | -178.3 | -69.3 | -32.7 | 0 | 0 | 0 | 114.5 | R254 | D226-R254 VanDerWaalsContact O-CZ 3.25Å; D226-R254 PolarHBondContact O-NH1 2.82Å |
| 227 | C | 90 | Very high | 94.2 | Very high | 50 Ų | 50 | 36.4 Ų | 36.4 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 11 | -176.4 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | S196 I197 Y225 | S196-C227 WeakPolarHBondContact CB-O 3Å; I197-C227 PolarHBondContact N-O 2.89Å; Y225-C227 PolarHBondContact O-N 3.43Å |
| 228 | V | 94.2 | Very high | 94 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.4 | -178.3 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | I197 I199 V221 Y225 F230 R254 I329 | I197-V228 HydrophobicContact CB-CG2 4.12Å; I197-V228 HydrophobicContact CD1-CG2 4.44Å; I197-V228 CarbonylContact O-C 3.44Å; I197-V228 VanDerWaalsContact O-CA 3.29Å; I197-V228 WeakPolarHBondContact O-CA 2.94Å; I199-V228 HydrophobicContact CD1-CG1 3.64Å; I199-V228 HydrophobicContact CG1-CG1 4.07Å; V221-V228 HydrophobicContact CG1-CG1 4.02Å; Y225-V228 VanDerWaalsContact CB-CG2 3.41Å; Y225-V228 HydrophobicContact CD2-CG2 4.22Å; Y225-V228 HydrophobicContact CG-CG2 3.99Å; Y225-V228 PolarHBondContact O-N 3.42Å; V228-F230 HydrophobicContact CG1-CE2 3.93Å; V228-F230 HydrophobicContact CG1-CZ 4.17Å; V228-R254 VanDerWaalsContact O-CZ 3.26Å; V228-R254 PolarHBondContact O-NE 3.39Å; V228-R254 VanDerWaalsContact O-NE 3.09Å; V228-R254 PolarHBondContact O-NH2 3Å; V228-I329 HydrophobicContact CG2-CD1 4.08Å |
| 229 | D | 94.5 | Very high | 93.9 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 160.1 | 177.7 | -64.6 | -30.7 | 0 | 0 | 0 | 111.6 | I197 T198 I199 R254 | I197-D229 PolarHBondContact O-N 3.1Å; T198-D229 CarbonylContact C-O 3.55Å; T198-D229 WeakPolarHBondContact CA-O 3.35Å; T198-D229 HydrophobicContact CG2-CB 4.44Å; I199-D229 PolarHBondContact N-O 2.78Å; D229-R254 CarbonylContact C-O 3.59Å; D229-R254 WeakPolarHBondContact CA-O 2.75Å; D229-R254 WeakPolarHBondContact OD1-CD 3.23Å; D229-R254 IonicContact OD1-NE 2.79Å; D229-R254 PolarHBondContact OD1-NE 2.76Å |
| 230 | F | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.1 | -179.9 | -70.4 | -88.3 | 0 | 0 | 0 | 112.2 | I199 L218 V221 C222 V228 R254 L255 R256 I277 | I199-F230 HydrophobicContact CB-CD1 3.82Å; I199-F230 HydrophobicContact CB-CE1 3.83Å; I199-F230 HydrophobicContact CD1-CE1 4.06Å; I199-F230 HydrophobicContact CD1-CZ 4.17Å; I199-F230 HydrophobicContact CG1-CE1 4.41Å; I199-F230 HydrophobicContact CG2-CD1 4.17Å; I199-F230 HydrophobicContact CG2-CE1 3.99Å; I199-F230 CarbonylContact O-C 3.59Å; I199-F230 VanDerWaalsContact O-CA 3.28Å; I199-F230 WeakPolarHBondContact O-CA 3.33Å; L218-F230 HydrophobicContact CD2-CB 3.85Å; L218-F230 HydrophobicContact CD2-CD1 3.34Å; L218-F230 HydrophobicContact CD2-CD2 3.64Å; L218-F230 HydrophobicContact CD2-CE1 3.66Å; L218-F230 HydrophobicContact CD2-CE2 3.94Å; L218-F230 HydrophobicContact CD2-CG 3.31Å; L218-F230 HydrophobicContact CD2-CZ 3.95Å; V221-F230 HydrophobicContact CB-CE2 4.25Å; V221-F230 HydrophobicContact CB-CZ 3.94Å; V221-F230 HydrophobicContact CG1-CE2 4.13Å; V221-F230 HydrophobicContact CG1-CZ 3.78Å; C222-F230 VanDerWaalsContact SG-CE2 3.58Å; V228-F230 HydrophobicContact CG1-CE2 3.93Å; V228-F230 HydrophobicContact CG1-CZ 4.17Å; F230-R254 PolarHBondContact N-O 3.36Å; F230-L255 HydrophobicContact CB-CD1 3.64Å; F230-R256 PolarHBondContact O-N 2.81Å; F230-I277 HydrophobicContact CD1-CD1 4.42Å; F230-I277 HydrophobicContact CE1-CD1 3.72Å |
| 231 | I | 94.7 | Very high | 93.9 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123 | 170.1 | -64.1 | 179.2 | 0 | 0 | 0 | 109.2 | T198 I199 I200 V201 R256 I258 V269 L272 | T198-I231 HydrophobicContact CG2-CD1 3.61Å; T198-I231 HydrophobicContact CG2-CG1 3.67Å; I199-I231 PolarHBondContact O-N 3.37Å; I200-I231 CarbonylContact C-O 3.51Å; I200-I231 WeakPolarHBondContact CA-O 3.13Å; I200-I231 HydrophobicContact CG1-CG2 4.49Å; V201-I231 PolarHBondContact N-O 2.82Å; I231-R256 WeakPolarHBondContact CA-O 3.34Å; I231-R256 HydrophobicContact CG1-CB 4.42Å; I231-I258 HydrophobicContact CG2-CD1 3.67Å; I231-I258 HydrophobicContact CG2-CG1 4.01Å; I231-I258 HydrophobicContact CG2-CG2 4.3Å; I231-V269 HydrophobicContact CG2-CG1 3.94Å; I231-L272 HydrophobicContact CD1-CB 4.48Å |
| 232 | I | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 103.7 | 174.6 | -51 | -57.6 | 0 | 0 | 0 | 108.9 | V201 M205 L214 L242 L255 R256 L257 I258 | V201-I232 HydrophobicContact CB-CD1 3.74Å; V201-I232 HydrophobicContact CG2-CD1 3.81Å; V201-I232 CarbonylContact O-C 3.48Å; V201-I232 WeakPolarHBondContact O-CA 3.41Å; M205-I232 HydrophobicContact CE-CG2 3.3Å; M205-I232 HydrophobicContact CG-CG2 4.46Å; M205-I232 HydrophobicContact SD-CG2 3.59Å; M205-I232 VanDerWaalsContact SD-CG2 3.59Å; L214-I232 HydrophobicContact CD2-CD1 3.96Å; I232-L242 HydrophobicContact CG1-CD1 4.33Å; I232-L242 HydrophobicContact CG2-CD1 3.85Å; I232-L255 HydrophobicContact CD1-CD1 3.98Å; I232-L255 HydrophobicContact CG1-CD1 3.56Å; I232-R256 PolarHBondContact N-O 3.25Å; I232-L257 HydrophobicContact CB-CG 4.37Å; I232-L257 HydrophobicContact CG1-CG 4.44Å; I232-I258 WeakPolarHBondContact O-CG1 3.5Å; I232-I258 PolarHBondContact O-N 3.07Å |
| 233 | A | 91.8 | Very high | 94 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 84.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | I200 V201 A202 G203 I258 G259 V261 M266 | I200-A233 HydrophobicContact CD1-CB 4.06Å; I200-A233 HydrophobicContact CG1-CB 4.31Å; V201-A233 PolarHBondContact O-N 3.47Å; A202-A233 VanDerWaalsContact CA-O 3.3Å; A202-A233 WeakPolarHBondContact CA-O 3.46Å; A202-A233 HydrophobicContact CB-CB 4.13Å; G203-A233 PolarHBondContact N-O 3.4Å; A233-I258 HydrophobicContact CB-CD1 3.97Å; A233-I258 HydrophobicContact CB-CG1 4.19Å; A233-G259 CarbonylContact C-O 3.55Å; A233-V261 HydrophobicContact CB-CG2 4.14Å; A233-M266 HydrophobicContact CB-CE 4.11Å; A233-M266 HydrophobicContact CB-SD 4.3Å |
| 234 | G | 89.6 | Confident | 94.1 | Very high | 5 Ų | 5 | 48 Ų | 48 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | trans | 157.7 | 176.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | G203 G259 | G203-G234 WeakPolarHBondContact O-CA 3.49Å; G234-G259 VanDerWaalsContact CA-O 3.3Å; G234-G259 WeakPolarHBondContact CA-O 3.37Å; G234-G259 PolarHBondContact N-O 2.94Å | ||
| 235 | D | 90.2 | Very high | 94.2 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | trans | -129.6 | 169.7 | -179.7 | -140.5 | -52.8 | 0 | 0 | 0 | 111.7 | R204 M205 R239 N260 | R204-D235 CarbonylContact C-O 3.56Å; R204-D235 VanDerWaalsContact CA-O 3.29Å; R204-D235 WeakPolarHBondContact CA-O 3.39Å; R204-D235 VanDerWaalsContact CG-O 3.29Å; R204-D235 WeakPolarHBondContact CG-O 3.42Å; M205-D235 PolarHBondContact N-O 3.16Å; D235-R239 VanDerWaalsContact OD1-CD 3.25Å; D235-R239 WeakPolarHBondContact OD1-CD 3.42Å; D235-R239 IonicContact OD2-CZ 3.09Å; D235-R239 IonicContact OD2-NH1 3.47Å; D235-R239 PolarHBondContact OD2-NH1 2.9Å; D235-R239 VanDerWaalsContact OD2-NH1 3.09Å; D235-N260 WeakPolarHBondContact CB-OD1 3.32Å; D235-N260 PolarHBondContact N-OD1 3.4Å | ||
| 236 | G | 91 | Very high | 94.4 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | trans | 159.5 | 170.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | M205 K238 R239 | M205-G236 CarbonylContact O-C 3.58Å; M205-G236 WeakPolarHBondContact O-CA 3.45Å; G236-K238 PolarHBondContact O-N 3.25Å; G236-K238 VanDerWaalsContact O-N 3.08Å; G236-R239 WeakPolarHBondContact O-CB 3.21Å; G236-R239 PolarHBondContact O-N 3.08Å | ||
| 237 | P | 92.1 | Very high | 94.7 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 60% | 0.597 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.9 | -174.5 | 24.4 | -35.4 | 0 | 0 | 0 | 113.9 | M205 V206 R239 | M205-P237 WeakPolarHBondContact O-CD 3.19Å; V206-P237 HydrophobicContact CG1-CG 3.86Å; P237-R239 VanDerWaalsContact C-N 3.34Å |
| 238 | K | 94.3 | Very high | 95.1 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7.4 | 177 | -69.8 | -86.7 | -174.4 | 165 | 0 | 113.3 | M205 V211 D212 G236 I240 L241 | M205-K238 WeakPolarHBondContact O-CB 3.41Å; M205-K238 PolarHBondContact O-N 3Å; V211-K238 HydrophobicContact CB-CB 4Å; V211-K238 HydrophobicContact CG1-CB 3.79Å; V211-K238 HydrophobicContact CG2-CB 4.33Å; D212-K238 IonicContact OD1-NZ 3.54Å; D212-K238 PolarHBondContact OD1-NZ 3.16Å; D212-K238 IonicContact OD2-NZ 3.71Å; G236-K238 PolarHBondContact O-N 3.25Å; G236-K238 VanDerWaalsContact O-N 3.08Å; K238-I240 PolarHBondContact O-N 3.45Å; K238-L241 HydrophobicContact CD-CD2 4.25Å; K238-L241 WeakPolarHBondContact O-CB 3.42Å; K238-L241 PolarHBondContact O-N 3.18Å |
| 239 | R | 95.4 | Very high | 95.2 | Very high | 52 Ų | 52 | 53.8 Ų | 53.8 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.3 | -40.7 | 172.9 | 176.3 | -179.8 | 173.7 | 116.9 | 16.1 | 111.6 | M205 D235 G236 P237 L241 L242 E243 L257 | M205-R239 HydrophobicContact CB-CB 4.47Å; D235-R239 VanDerWaalsContact OD1-CD 3.25Å; D235-R239 WeakPolarHBondContact OD1-CD 3.42Å; D235-R239 IonicContact OD2-CZ 3.09Å; D235-R239 IonicContact OD2-NH1 3.47Å; D235-R239 PolarHBondContact OD2-NH1 2.9Å; D235-R239 VanDerWaalsContact OD2-NH1 3.09Å; G236-R239 WeakPolarHBondContact O-CB 3.21Å; G236-R239 PolarHBondContact O-N 3.08Å; P237-R239 VanDerWaalsContact C-N 3.34Å; R239-L241 PolarHBondContact O-N 3.32Å; R239-L242 WeakPolarHBondContact O-CB 3.45Å; R239-L242 PolarHBondContact O-N 3.28Å; R239-E243 HydrophobicContact CG-CG 4.44Å; R239-E243 IonicContact CZ-OE1 3.26Å; R239-E243 IonicContact NE-OE1 2.89Å; R239-E243 PolarHBondContact NE-OE1 2.97Å; R239-E243 IonicContact NH2-OE1 2.78Å; R239-E243 PolarHBondContact NH2-OE1 2.94Å; R239-E243 PolarHBondContact O-N 3.09Å; R239-E243 VanDerWaalsContact O-N 3.09Å; R239-L257 HydrophobicContact CG-CD2 4.33Å; R239-L257 PolarHBondContact NH2-O 2.75Å |
| 240 | I | 96.7 | Very high | 95.3 | Very high | 100 Ų | 100 | 56.6 Ų | 56.6 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.4 | -40.9 | 179.3 | -62.1 | 169.4 | 0 | 0 | 0 | 111 | K238 L242 E243 E244 | K238-I240 PolarHBondContact O-N 3.45Å; I240-L242 VanDerWaalsContact C-N 3.28Å; I240-L242 PolarHBondContact O-N 2.74Å; I240-E243 PolarHBondContact O-N 2.7Å; I240-E243 VanDerWaalsContact O-N 3.13Å; I240-E244 HydrophobicContact CG2-CG 4.29Å; I240-E244 WeakPolarHBondContact O-CG 3.37Å; I240-E244 PolarHBondContact O-N 3.37Å |
| 241 | L | 97.3 | Very high | 95.4 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60 | -38 | 177.5 | 177.7 | 62.7 | 0 | 0 | 0 | 112.3 | V211 A215 K238 R239 T245 | V211-L241 HydrophobicContact CG1-CD2 4.49Å; A215-L241 HydrophobicContact CB-CD1 4.4Å; A215-L241 HydrophobicContact CB-CD2 3.98Å; A215-L241 HydrophobicContact CB-CG 3.89Å; K238-L241 HydrophobicContact CD-CD2 4.25Å; K238-L241 WeakPolarHBondContact O-CB 3.42Å; K238-L241 PolarHBondContact O-N 3.18Å; R239-L241 PolarHBondContact O-N 3.32Å; L241-T245 WeakPolarHBondContact O-CB 3.4Å; L241-T245 PolarHBondContact O-N 3.22Å; L241-T245 PolarHBondContact O-OG1 3.23Å |
| 242 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.4 | -34.4 | 177.6 | -63.6 | 178.5 | 0 | 0 | 0 | 111.8 | M205 V211 L214 A215 L218 I232 R239 I240 R246 L257 | M205-L242 HydrophobicContact CG-CD1 4.39Å; M205-L242 HydrophobicContact SD-CD1 3.63Å; V211-L242 HydrophobicContact CG1-CD1 3.94Å; V211-L242 HydrophobicContact CG1-CD2 3.84Å; V211-L242 HydrophobicContact CG1-CG 3.67Å; L214-L242 HydrophobicContact CD2-CD1 4.38Å; L214-L242 HydrophobicContact CD2-CD2 4.14Å; L214-L242 HydrophobicContact CG-CD2 4.3Å; A215-L242 HydrophobicContact CB-CD2 4.28Å; L218-L242 HydrophobicContact CD1-CD2 3.92Å; I232-L242 HydrophobicContact CG1-CD1 4.33Å; I232-L242 HydrophobicContact CG2-CD1 3.85Å; R239-L242 WeakPolarHBondContact O-CB 3.45Å; R239-L242 PolarHBondContact O-N 3.28Å; I240-L242 VanDerWaalsContact C-N 3.28Å; I240-L242 PolarHBondContact O-N 2.74Å; L242-R246 WeakPolarHBondContact O-CB 2.77Å; L242-R246 PolarHBondContact O-N 3.5Å; L242-L257 HydrophobicContact CB-CD2 3.68Å; L242-L257 HydrophobicContact CD1-CD2 4.41Å |
| 243 | E | 97.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 173.5 | -67 | 176 | 168.9 | 0 | 0 | 110.6 | R239 I240 T245 R246 E247 L257 | R239-E243 HydrophobicContact CG-CG 4.44Å; R239-E243 IonicContact CZ-OE1 3.26Å; R239-E243 IonicContact NE-OE1 2.89Å; R239-E243 PolarHBondContact NE-OE1 2.97Å; R239-E243 IonicContact NH2-OE1 2.78Å; R239-E243 PolarHBondContact NH2-OE1 2.94Å; R239-E243 PolarHBondContact O-N 3.09Å; R239-E243 VanDerWaalsContact O-N 3.09Å; I240-E243 PolarHBondContact O-N 2.7Å; I240-E243 VanDerWaalsContact O-N 3.13Å; E243-T245 VanDerWaalsContact C-N 3.31Å; E243-T245 PolarHBondContact O-N 2.79Å; E243-R246 WeakPolarHBondContact O-CB 3.3Å; E243-R246 PolarHBondContact O-N 3.02Å; E243-R246 VanDerWaalsContact O-N 3.11Å; E243-E247 WeakPolarHBondContact O-CG 3.09Å; E243-E247 PolarHBondContact O-N 3.26Å; E243-L257 HydrophobicContact CG-CD1 4.47Å; E243-L257 HydrophobicContact CG-CD2 3.97Å |
| 244 | E | 97.8 | Very high | 95.5 | Very high | 120 Ų | 120 | 69.8 Ų | 69.8 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.8 | -43.2 | 174.6 | -72 | 174.6 | 174.8 | 0 | 0 | 112.1 | I240 R246 E247 R248 | I240-E244 HydrophobicContact CG2-CG 4.29Å; I240-E244 WeakPolarHBondContact O-CG 3.37Å; I240-E244 PolarHBondContact O-N 3.37Å; E244-R246 VanDerWaalsContact C-N 3.35Å; E244-E247 PolarHBondContact O-N 2.74Å; E244-R248 WeakPolarHBondContact O-CB 3.39Å; E244-R248 PolarHBondContact O-N 2.85Å |
| 245 | T | 97.7 | Very high | 95.8 | Very high | 14 Ų | 14 | 69.6 Ų | 69.6 | 9% | 0.086 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.4 | -59.5 | 0 | 0 | 0 | 0 | 111 | A215 L241 E243 E247 R248 H249 | A215-T245 WeakPolarHBondContact O-CG2 3.38Å; L241-T245 WeakPolarHBondContact O-CB 3.4Å; L241-T245 PolarHBondContact O-N 3.22Å; L241-T245 PolarHBondContact O-OG1 3.23Å; E243-T245 VanDerWaalsContact C-N 3.31Å; E243-T245 PolarHBondContact O-N 2.79Å; T245-E247 PolarHBondContact O-N 2.99Å; T245-R248 PolarHBondContact O-N 3.49Å; T245-H249 WeakPolarHBondContact O-CB 3.19Å; T245-H249 PolarHBondContact O-CD2 3.27Å; T245-H249 PolarHBondContact O-N 2.84Å; T245-H249 VanDerWaalsContact O-N 3.1Å |
| 246 | R | 97.8 | Very high | 96.1 | Very high | 62 Ų | 62 | 73.5 Ų | 73.5 | 23% | 0.234 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 178.4 | -170.7 | -175.4 | 68.3 | -178.3 | -3.8 | 111.6 | L242 E243 E244 S250 L251 Q252 L255 | L242-R246 WeakPolarHBondContact O-CB 2.77Å; L242-R246 PolarHBondContact O-N 3.5Å; E243-R246 WeakPolarHBondContact O-CB 3.3Å; E243-R246 PolarHBondContact O-N 3.02Å; E243-R246 VanDerWaalsContact O-N 3.11Å; E244-R246 VanDerWaalsContact C-N 3.35Å; R246-S250 PolarHBondContact O-N 2.82Å; R246-S250 VanDerWaalsContact O-N 3.11Å; R246-L251 HydrophobicContact CG-CB 4.12Å; R246-L251 PolarHBondContact O-N 3.16Å; R246-Q252 HydrophobicContact CG-CG 4.44Å; R246-L255 HydrophobicContact CB-CD2 3.89Å; R246-L255 WeakPolarHBondContact CD-O 2.99Å; R246-L255 HydrophobicContact CG-CB 4.24Å; R246-L255 HydrophobicContact CG-CD2 4.14Å; R246-L255 HydrophobicContact CG-CG 4.42Å |
| 247 | E | 97.4 | Very high | 96.4 | Very high | 90 Ų | 90 | 73.9 Ų | 73.9 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.8 | -46 | -179.3 | -60.8 | -45.5 | 134.1 | 0 | 0 | 111.5 | E243 E244 T245 H249 S250 Q252 | E243-E247 WeakPolarHBondContact O-CG 3.09Å; E243-E247 PolarHBondContact O-N 3.26Å; E244-E247 PolarHBondContact O-N 2.74Å; T245-E247 PolarHBondContact O-N 2.99Å; E247-H249 VanDerWaalsContact C-N 3.27Å; E247-H249 PolarHBondContact O-N 3Å; E247-S250 PolarHBondContact O-N 3.4Å; E247-Q252 PolarHBondContact OE2-NE2 3.33Å |
| 248 | R | 97.9 | Very high | 96.5 | Very high | 211 Ų | 211 | 73.1 Ų | 73.1 | 80% | 0.796 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.5 | -35.3 | -178.1 | -174.8 | 176 | -164.7 | 153.2 | 4.3 | 113.3 | E244 T245 | E244-R248 WeakPolarHBondContact O-CB 3.39Å; E244-R248 PolarHBondContact O-N 2.85Å; T245-R248 PolarHBondContact O-N 3.49Å |
| 249 | H | 97.5 | Very high | 96.4 | Very high | 92 Ų | 92 | 70.1 Ų | 70.1 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 10.3 | -177.5 | -65.9 | -81.1 | 0 | 0 | 0 | 113.3 | P219 T245 E247 L251 | P219-H249 HydrophobicContact CB-CB 4.11Å; T245-H249 WeakPolarHBondContact O-CB 3.19Å; T245-H249 PolarHBondContact O-CD2 3.27Å; T245-H249 PolarHBondContact O-N 2.84Å; T245-H249 VanDerWaalsContact O-N 3.1Å; E247-H249 VanDerWaalsContact C-N 3.27Å; E247-H249 PolarHBondContact O-N 3Å; H249-L251 VanDerWaalsContact C-N 3.29Å; H249-L251 HydrophobicContact CB-CD1 4.01Å; H249-L251 HydrophobicContact CB-CD2 4.47Å; H249-L251 HydrophobicContact CB-CG 3.83Å; H249-L251 PolarHBondContact O-N 2.85Å |
| 250 | S | 96.8 | Very high | 96.1 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 65% | 0.65 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43.8 | 179.8 | -52.3 | 0 | 0 | 0 | 0 | 113.8 | R246 E247 Q252 | R246-S250 PolarHBondContact O-N 2.82Å; R246-S250 VanDerWaalsContact O-N 3.11Å; E247-S250 PolarHBondContact O-N 3.4Å; S250-Q252 PolarHBondContact O-OE1 3.01Å |
| 251 | L | 96.7 | Very high | 95.5 | Very high | 13 Ų | 13 | 70.2 Ų | 70.2 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | trans | -93.7 | 20.7 | -177.1 | -57.9 | 177.4 | 0 | 0 | 0 | 113 | P219 C222 R246 H249 E253 R254 L255 | P219-L251 HydrophobicContact CB-CD1 4.36Å; C222-L251 HydrophobicContact CB-CD2 3.67Å; R246-L251 HydrophobicContact CG-CB 4.12Å; R246-L251 PolarHBondContact O-N 3.16Å; H249-L251 VanDerWaalsContact C-N 3.29Å; H249-L251 HydrophobicContact CB-CD1 4.01Å; H249-L251 HydrophobicContact CB-CD2 4.47Å; H249-L251 HydrophobicContact CB-CG 3.83Å; H249-L251 PolarHBondContact O-N 2.85Å; L251-E253 VanDerWaalsContact C-N 3.29Å; L251-E253 PolarHBondContact O-N 3.48Å; L251-R254 PolarHBondContact O-N 2.91Å; L251-L255 HydrophobicContact CB-CB 4.03Å; L251-L255 WeakPolarHBondContact O-CB 3.49Å; L251-L255 PolarHBondContact O-N 2.51Å | ||
| 252 | Q | 95.9 | Very high | 94.6 | Very high | 75 Ų | 75 | 71.4 Ų | 71.4 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -39.5 | -172.2 | -64 | 83.4 | -6.8 | 0 | 0 | 112.7 | R246 E247 S250 | R246-Q252 HydrophobicContact CG-CG 4.44Å; E247-Q252 PolarHBondContact OE2-NE2 3.33Å; S250-Q252 PolarHBondContact O-OE1 3.01Å |
| 253 | E | 93.8 | Very high | 93.5 | Very high | 156 Ų | 156 | 76 Ų | 76 | 73% | 0.729 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -25.6 | 178.1 | -61.3 | -54.4 | 133.5 | 0 | 0 | 113 | L251 | L251-E253 VanDerWaalsContact C-N 3.29Å; L251-E253 PolarHBondContact O-N 3.48Å |
| 254 | R | 94.7 | Very high | 92.4 | Very high | 44 Ų | 44 | 78.3 Ų | 78.3 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -21.8 | -171.3 | -57.6 | -68 | -64.6 | -82.5 | -21.3 | 113.3 | Y225 D226 V228 D229 F230 L251 | Y225-R254 PolarHBondContact O-NH2 3.47Å; D226-R254 VanDerWaalsContact O-CZ 3.25Å; D226-R254 PolarHBondContact O-NH1 2.82Å; V228-R254 VanDerWaalsContact O-CZ 3.26Å; V228-R254 PolarHBondContact O-NE 3.39Å; V228-R254 VanDerWaalsContact O-NE 3.09Å; V228-R254 PolarHBondContact O-NH2 3Å; D229-R254 CarbonylContact C-O 3.59Å; D229-R254 WeakPolarHBondContact CA-O 2.75Å; D229-R254 WeakPolarHBondContact OD1-CD 3.23Å; D229-R254 IonicContact OD1-NE 2.79Å; D229-R254 PolarHBondContact OD1-NE 2.76Å; F230-R254 PolarHBondContact N-O 3.36Å; L251-R254 PolarHBondContact O-N 2.91Å |
| 255 | L | 96.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 104 | -173.5 | 175.8 | 61 | 0 | 0 | 0 | 111.3 | L218 F230 I232 R246 L251 L257 | L218-L255 HydrophobicContact CD1-CD1 4.07Å; L218-L255 HydrophobicContact CD1-CD2 3.86Å; L218-L255 HydrophobicContact CD2-CD1 4.11Å; F230-L255 HydrophobicContact CB-CD1 3.64Å; I232-L255 HydrophobicContact CD1-CD1 3.98Å; I232-L255 HydrophobicContact CG1-CD1 3.56Å; R246-L255 HydrophobicContact CB-CD2 3.89Å; R246-L255 WeakPolarHBondContact CD-O 2.99Å; R246-L255 HydrophobicContact CG-CB 4.24Å; R246-L255 HydrophobicContact CG-CD2 4.14Å; R246-L255 HydrophobicContact CG-CG 4.42Å; L251-L255 HydrophobicContact CB-CB 4.03Å; L251-L255 WeakPolarHBondContact O-CB 3.49Å; L251-L255 PolarHBondContact O-N 2.51Å; L255-L257 HydrophobicContact CG-CD1 4.25Å |
| 256 | R | 96.2 | Very high | 90.9 | Very high | 139 Ų | 139 | 79.5 Ų | 79.5 | 53% | 0.525 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.3 | -178.9 | -61.8 | 180 | -174.8 | 168.9 | 3.7 | 111.2 | F230 I231 I232 I258 | F230-R256 PolarHBondContact O-N 2.81Å; I231-R256 WeakPolarHBondContact CA-O 3.34Å; I231-R256 HydrophobicContact CG1-CB 4.42Å; I232-R256 PolarHBondContact N-O 3.25Å; R256-I258 HydrophobicContact CB-CG2 4.31Å |
| 257 | L | 96.5 | Very high | 90 | Very high | 22 Ų | 22 | 76.8 Ų | 76.8 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 90.8 | 174 | -61 | 100.6 | 0 | 0 | 0 | 110.8 | I232 R239 L242 E243 L255 G259 | I232-L257 HydrophobicContact CB-CG 4.37Å; I232-L257 HydrophobicContact CG1-CG 4.44Å; R239-L257 HydrophobicContact CG-CD2 4.33Å; R239-L257 PolarHBondContact NH2-O 2.75Å; L242-L257 HydrophobicContact CB-CD2 3.68Å; L242-L257 HydrophobicContact CD1-CD2 4.41Å; E243-L257 HydrophobicContact CG-CD1 4.47Å; E243-L257 HydrophobicContact CG-CD2 3.97Å; L255-L257 HydrophobicContact CG-CD1 4.25Å; L257-G259 VanDerWaalsContact C-N 3.33Å; L257-G259 PolarHBondContact O-N 2.81Å |
| 258 | I | 94.7 | Very high | 89.3 | Confident | 77 Ų | 77 | 78.2 Ų | 78.2 | 40% | 0.395 | 37% | 0.373 | S | S | . | . | trans | -85 | -5.2 | -171.6 | 64.5 | 170.1 | 0 | 0 | 0 | 114.1 | I231 I232 A233 R256 V261 V269 | I231-I258 HydrophobicContact CG2-CD1 3.67Å; I231-I258 HydrophobicContact CG2-CG1 4.01Å; I231-I258 HydrophobicContact CG2-CG2 4.3Å; I232-I258 WeakPolarHBondContact O-CG1 3.5Å; I232-I258 PolarHBondContact O-N 3.07Å; A233-I258 HydrophobicContact CB-CD1 3.97Å; A233-I258 HydrophobicContact CB-CG1 4.19Å; R256-I258 HydrophobicContact CB-CG2 4.31Å; I258-V261 HydrophobicContact CD1-CG2 3.52Å; I258-V261 HydrophobicContact CG1-CG2 3.99Å; I258-V269 HydrophobicContact CD1-CG1 3.73Å; I258-V269 HydrophobicContact CD1-CG2 4.02Å | ||
| 259 | G | 92.9 | Very high | 88.6 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 6% | 0.062 | 34% | 0.341 | C | S | . | . | trans | 71.7 | -160.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A233 G234 L257 V261 | A233-G259 CarbonylContact C-O 3.55Å; G234-G259 VanDerWaalsContact CA-O 3.3Å; G234-G259 WeakPolarHBondContact CA-O 3.37Å; G234-G259 PolarHBondContact N-O 2.94Å; L257-G259 VanDerWaalsContact C-N 3.33Å; L257-G259 PolarHBondContact O-N 2.81Å; G259-V261 PolarHBondContact O-N 2.96Å | ||
| 260 | N | 88 | Confident | 87.9 | Confident | 123 Ų | 123 | 65 Ų | 65 | 66% | 0.658 | 32% | 0.323 | S | S | * | . | trans | -66.4 | 119 | -176.5 | -73 | -34.7 | 0 | 0 | 0 | 111.9 | D235 | D235-N260 WeakPolarHBondContact CB-OD1 3.32Å; D235-N260 PolarHBondContact N-OD1 3.4Å | ||
| 261 | V | 84.6 | Confident | 87.1 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | trans | -104.1 | 125.8 | 175.6 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | A233 I258 G259 R265 M266 V269 | A233-V261 HydrophobicContact CB-CG2 4.14Å; I258-V261 HydrophobicContact CD1-CG2 3.52Å; I258-V261 HydrophobicContact CG1-CG2 3.99Å; G259-V261 PolarHBondContact O-N 2.96Å; V261-R265 HydrophobicContact CG1-CB 3.99Å; V261-M266 HydrophobicContact CB-SD 3.5Å; V261-M266 VanDerWaalsContact CB-SD 3.5Å; V261-M266 HydrophobicContact CG1-CG 4.16Å; V261-M266 HydrophobicContact CG1-SD 3.53Å; V261-M266 VanDerWaalsContact CG1-SD 3.53Å; V261-M266 HydrophobicContact CG2-SD 4.3Å; V261-V269 HydrophobicContact CG1-CG2 3.97Å; V261-V269 HydrophobicContact CG2-CG2 4.3Å | ||
| 262 | P | 78.8 | Confident | 86.4 | Confident | 69 Ų | 69 | 67.1 Ų | 67.1 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | trans | -55.9 | 139.1 | 172.2 | -26.7 | 36 | 0 | 0 | 0 | 111.7 | N264 R265 M266 | P262-N264 VanDerWaalsContact CB-OD1 3.24Å; P262-N264 WeakPolarHBondContact CB-OD1 3.16Å; P262-N264 PolarHBondContact O-N 3.35Å; P262-N264 VanDerWaalsContact O-N 3.13Å; P262-R265 WeakPolarHBondContact O-CA 3.16Å; P262-R265 PolarHBondContact O-N 2.95Å; P262-M266 PolarHBondContact O-N 3.02Å | ||
| 263 | H | 74.6 | Confident | 86 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -53.1 | -38.8 | -176.5 | -103.5 | 64.7 | 0 | 0 | 0 | 113.5 | R265 M266 | H263-R265 PolarHBondContact O-N 3.05Å; H263-M266 WeakPolarHBondContact O-CB 3.36Å; H263-M266 PolarHBondContact O-N 2.99Å; H263-M266 VanDerWaalsContact O-N 3.16Å |
| 264 | N | 74.2 | Confident | 85.7 | Confident | 110 Ų | 110 | 57.3 Ų | 57.3 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -68.9 | -12.2 | 177.9 | 66.8 | -23.3 | 0 | 0 | 0 | 114.4 | Y186 P262 | Y186-N264 HydrophobicContact CD1-CB 4.47Å; Y186-N264 HydrophobicContact CE1-CB 4.5Å; P262-N264 VanDerWaalsContact CB-OD1 3.24Å; P262-N264 WeakPolarHBondContact CB-OD1 3.16Å; P262-N264 PolarHBondContact O-N 3.35Å; P262-N264 VanDerWaalsContact O-N 3.13Å |
| 265 | R | 81.2 | Confident | 85.5 | Confident | 148 Ų | 148 | 55.2 Ų | 55.2 | 56% | 0.558 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -104.5 | -6.7 | 173.4 | -66.3 | -168.4 | -179.9 | -174.9 | -0.3 | 113.1 | V261 P262 H263 G267 Q268 V269 | V261-R265 HydrophobicContact CG1-CB 3.99Å; P262-R265 WeakPolarHBondContact O-CA 3.16Å; P262-R265 PolarHBondContact O-N 2.95Å; H263-R265 PolarHBondContact O-N 3.05Å; R265-G267 PolarHBondContact O-N 3.42Å; R265-Q268 WeakPolarHBondContact O-CB 3.37Å; R265-Q268 PolarHBondContact O-N 3.45Å; R265-V269 PolarHBondContact O-N 2.87Å |
| 266 | M | 81.3 | Confident | 85.2 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -32.5 | 179.7 | -78.4 | -58 | -53.5 | 0 | 0 | 112.9 | F187 I200 A202 A233 V261 P262 H263 Q268 V269 S270 N289 | F187-M266 HydrophobicContact CD1-CB 4.5Å; F187-M266 HydrophobicContact CE1-CB 3.94Å; I200-M266 HydrophobicContact CD1-CE 4.02Å; A202-M266 HydrophobicContact CB-CE 3.78Å; A233-M266 HydrophobicContact CB-CE 4.11Å; A233-M266 HydrophobicContact CB-SD 4.3Å; V261-M266 HydrophobicContact CB-SD 3.5Å; V261-M266 VanDerWaalsContact CB-SD 3.5Å; V261-M266 HydrophobicContact CG1-CG 4.16Å; V261-M266 HydrophobicContact CG1-SD 3.53Å; V261-M266 VanDerWaalsContact CG1-SD 3.53Å; V261-M266 HydrophobicContact CG2-SD 4.3Å; P262-M266 PolarHBondContact O-N 3.02Å; H263-M266 WeakPolarHBondContact O-CB 3.36Å; H263-M266 PolarHBondContact O-N 2.99Å; H263-M266 VanDerWaalsContact O-N 3.16Å; M266-Q268 VanDerWaalsContact C-N 3.34Å; M266-Q268 PolarHBondContact O-N 3.04Å; M266-V269 PolarHBondContact O-N 2.96Å; M266-S270 WeakPolarHBondContact O-CB 3.11Å; M266-S270 PolarHBondContact O-N 3.09Å; M266-S270 PolarHBondContact O-OG 3.16Å; M266-N289 VanDerWaalsContact CE-ND2 3.28Å; M266-N289 WeakPolarHBondContact CE-ND2 3.44Å |
| 267 | G | 79.8 | Confident | 85.1 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 5% | 0.052 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57 | -45.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y186 R265 V269 S270 M271 | Y186-G267 WeakPolarHBondContact O-CA 3.49Å; Y186-G267 PolarHBondContact O-N 3.32Å; R265-G267 PolarHBondContact O-N 3.42Å; G267-V269 VanDerWaalsContact C-N 3.32Å; G267-V269 PolarHBondContact O-N 2.71Å; G267-S270 PolarHBondContact O-N 2.65Å; G267-M271 VanDerWaalsContact O-CG 3.25Å; G267-M271 WeakPolarHBondContact O-CG 3.22Å; G267-M271 PolarHBondContact O-N 3.46Å |
| 268 | Q | 81.9 | Confident | 84.8 | Confident | 120 Ų | 120 | 48.5 Ų | 48.5 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62 | -38.9 | -179.4 | -62.3 | 174.5 | -11.2 | 0 | 0 | 112.2 | R265 M266 | R265-Q268 WeakPolarHBondContact O-CB 3.37Å; R265-Q268 PolarHBondContact O-N 3.45Å; M266-Q268 VanDerWaalsContact C-N 3.34Å; M266-Q268 PolarHBondContact O-N 3.04Å |
| 269 | V | 83.9 | Confident | 84.7 | Confident | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.121 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.8 | -42.6 | 175.7 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | I200 I231 I258 V261 R265 M266 G267 M271 L272 C273 | I200-V269 HydrophobicContact CD1-CB 4.44Å; I200-V269 HydrophobicContact CD1-CG1 3.69Å; I231-V269 HydrophobicContact CG2-CG1 3.94Å; I258-V269 HydrophobicContact CD1-CG1 3.73Å; I258-V269 HydrophobicContact CD1-CG2 4.02Å; V261-V269 HydrophobicContact CG1-CG2 3.97Å; V261-V269 HydrophobicContact CG2-CG2 4.3Å; R265-V269 PolarHBondContact O-N 2.87Å; M266-V269 PolarHBondContact O-N 2.96Å; G267-V269 VanDerWaalsContact C-N 3.32Å; G267-V269 PolarHBondContact O-N 2.71Å; V269-M271 PolarHBondContact O-N 2.88Å; V269-L272 WeakPolarHBondContact O-CB 3.16Å; V269-L272 PolarHBondContact O-N 2.9Å; V269-L272 VanDerWaalsContact O-N 3.08Å; V269-C273 PolarHBondContact O-SG 3Å; V269-C273 VanDerWaalsContact O-SG 3.38Å |
| 270 | S | 82.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -28.7 | -179.2 | -55 | 0 | 0 | 0 | 0 | 112.3 | M266 G267 L272 C273 | M266-S270 WeakPolarHBondContact O-CB 3.11Å; M266-S270 PolarHBondContact O-N 3.09Å; M266-S270 PolarHBondContact O-OG 3.16Å; G267-S270 PolarHBondContact O-N 2.65Å; S270-L272 PolarHBondContact O-N 3.44Å; S270-C273 PolarHBondContact O-N 3.02Å |
| 271 | M | 80.5 | Confident | 84.1 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 32% | 0.315 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.6 | 174.1 | -69.5 | 168.3 | -153.6 | 0 | 0 | 113.7 | A190 H194 G267 V269 C273 | A190-M271 HydrophobicContact CB-CB 4.3Å; A190-M271 HydrophobicContact CB-CG 3.64Å; A190-M271 HydrophobicContact CB-SD 3.61Å; H194-M271 PolarHBondContact NE2-O 3.19Å; G267-M271 VanDerWaalsContact O-CG 3.25Å; G267-M271 WeakPolarHBondContact O-CG 3.22Å; G267-M271 PolarHBondContact O-N 3.46Å; V269-M271 PolarHBondContact O-N 2.88Å; M271-C273 VanDerWaalsContact C-N 3.25Å |
| 272 | L | 82.1 | Confident | 83.7 | Confident | 86 Ų | 86 | 43.4 Ų | 43.4 | 45% | 0.45 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -7.9 | 177 | -58 | 177.2 | 0 | 0 | 0 | 112.4 | T198 I231 V269 S270 | T198-L272 WeakPolarHBondContact CB-O 3.49Å; T198-L272 PolarHBondContact OG1-O 3.49Å; I231-L272 HydrophobicContact CD1-CB 4.48Å; V269-L272 WeakPolarHBondContact O-CB 3.16Å; V269-L272 PolarHBondContact O-N 2.9Å; V269-L272 VanDerWaalsContact O-N 3.08Å; S270-L272 PolarHBondContact O-N 3.44Å |
| 273 | C | 87.1 | Confident | 83.5 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | trans | -118.1 | 158.7 | -167.2 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | T198 I200 V269 S270 M271 L292 | T198-C273 CarbonylContact O-C 3.56Å; T198-C273 VanDerWaalsContact O-CA 3.25Å; T198-C273 WeakPolarHBondContact O-CA 3.25Å; T198-C273 WeakPolarHBondContact O-CB 3.48Å; I200-C273 HydrophobicContact CB-CB 4.1Å; I200-C273 HydrophobicContact CG2-CB 4.11Å; V269-C273 PolarHBondContact O-SG 3Å; V269-C273 VanDerWaalsContact O-SG 3.38Å; S270-C273 PolarHBondContact O-N 3.02Å; M271-C273 VanDerWaalsContact C-N 3.25Å; C273-L292 HydrophobicContact CB-CD1 3.71Å; C273-L292 WeakPolarHBondContact O-CD2 3.39Å | ||
| 274 | V | 87.4 | Confident | 82.6 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 12% | 0.115 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -116.8 | -37.1 | -179.7 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | I197 T198 H293 Y332 L337 | I197-V274 HydrophobicContact CG2-CB 4.47Å; T198-V274 PolarHBondContact O-N 3.47Å; V274-H293 PolarHBondContact O-N 2.83Å; V274-Y332 HydrophobicContact CB-CD2 4.49Å; V274-Y332 HydrophobicContact CB-CE2 4.28Å; V274-Y332 HydrophobicContact CG1-CD1 4.47Å; V274-Y332 HydrophobicContact CG1-CD2 3.2Å; V274-Y332 HydrophobicContact CG1-CE2 3.3Å; V274-Y332 HydrophobicContact CG1-CG 3.81Å; V274-Y332 HydrophobicContact CG2-CE2 3.94Å; V274-L337 HydrophobicContact CG1-CD1 4.47Å |
| 275 | I | 90.4 | Very high | 82 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.2 | -177.6 | -62.2 | 168.5 | 0 | 0 | 0 | 108.8 | I197 I199 I200 H293 V295 L325 A328 I329 | I197-I275 HydrophobicContact CG2-CD1 4.34Å; I199-I275 CarbonylContact C-O 3.41Å; I199-I275 WeakPolarHBondContact CA-O 3.49Å; I199-I275 HydrophobicContact CD1-CD1 4.4Å; I199-I275 HydrophobicContact CG1-CB 4.2Å; I199-I275 HydrophobicContact CG2-CB 4.09Å; I199-I275 HydrophobicContact CG2-CG2 4.04Å; I200-I275 PolarHBondContact N-O 3.21Å; I275-H293 WeakPolarHBondContact CA-O 3.38Å; I275-V295 HydrophobicContact CG2-CB 4.32Å; I275-V295 HydrophobicContact CG2-CG2 3.77Å; I275-L325 HydrophobicContact CG2-CD2 4.23Å; I275-A328 HydrophobicContact CD1-CB 3.81Å; I275-I329 HydrophobicContact CD1-CG1 4.02Å |
| 276 | C | 91.8 | Very high | 81 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.3 | 169.6 | -178 | 0 | 0 | 0 | 0 | 109.4 | I200 L292 H293 I294 V295 | I200-C276 HydrophobicContact CG2-CB 3.87Å; I200-C276 CarbonylContact O-C 3.59Å; I200-C276 WeakPolarHBondContact O-CA 3.24Å; C276-L292 HydrophobicContact CB-CB 4.15Å; C276-L292 HydrophobicContact CB-CD1 4.2Å; C276-H293 PolarHBondContact N-O 3.12Å; C276-I294 WeakPolarHBondContact O-CA 3.29Å; C276-V295 PolarHBondContact O-N 3.28Å |
| 277 | I | 93.3 | Very high | 80 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.9 | 173.6 | -52.9 | 158.3 | 0 | 0 | 0 | 110.5 | I199 I200 V201 F230 P279 V295 I321 L325 | I199-I277 HydrophobicContact CG2-CD1 3.37Å; I199-I277 HydrophobicContact CG2-CG1 3.48Å; I199-I277 VanDerWaalsContact CG2-CG1 3.48Å; I200-I277 PolarHBondContact O-N 3.46Å; V201-I277 HydrophobicContact CG2-CB 4.15Å; V201-I277 HydrophobicContact CG2-CD1 4.46Å; F230-I277 HydrophobicContact CD1-CD1 4.42Å; F230-I277 HydrophobicContact CE1-CD1 3.72Å; I277-P279 HydrophobicContact CG2-CB 4.2Å; I277-P279 HydrophobicContact CG2-CG 4.29Å; I277-V295 CarbonylContact C-O 3.2Å; I277-V295 VanDerWaalsContact CA-O 3.24Å; I277-V295 WeakPolarHBondContact CA-O 3.33Å; I277-V295 HydrophobicContact CG1-CB 4.47Å; I277-I321 HydrophobicContact CG2-CG2 4.42Å; I277-L325 HydrophobicContact CD1-CD1 3.55Å; I277-L325 HydrophobicContact CD1-CD2 3.73Å; I277-L325 HydrophobicContact CD1-CG 4.13Å; I277-L325 HydrophobicContact CG1-CD1 4.24Å; I277-L325 HydrophobicContact CG1-CD2 3.7Å; I277-L325 HydrophobicContact CG1-CG 4.31Å |
| 278 | V | 91.2 | Very high | 79.1 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 81.9 | 176 | -176.4 | 0 | 0 | 0 | 0 | 108 | C280 L288 I294 V295 S296 T297 | V278-C280 HydrophobicContact CG1-CB 4.43Å; V278-C280 VanDerWaalsContact CG1-SG 3.52Å; V278-C280 PolarHBondContact O-N 2.91Å; V278-L288 HydrophobicContact CB-CD2 4.38Å; V278-L288 HydrophobicContact CG1-CD2 3.8Å; V278-L288 HydrophobicContact CG2-CD2 3.81Å; V278-I294 HydrophobicContact CG2-CG2 4.06Å; V278-V295 PolarHBondContact N-O 2.54Å; V278-S296 WeakPolarHBondContact CB-OG 3.48Å; V278-S296 WeakPolarHBondContact O-CA 3.05Å; V278-S296 PolarHBondContact O-OG 3.26Å; V278-T297 PolarHBondContact O-N 3.27Å |
| 279 | P | 90.8 | Very high | 78.1 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | trans | -83 | 32.1 | -170.8 | 33.4 | -30 | 0 | 0 | 0 | 112.1 | G210 L214 I277 I321 | G210-P279 VanDerWaalsContact CA-O 3.25Å; G210-P279 WeakPolarHBondContact CA-O 3.05Å; L214-P279 HydrophobicContact CB-CG 4.21Å; I277-P279 HydrophobicContact CG2-CB 4.2Å; I277-P279 HydrophobicContact CG2-CG 4.29Å; P279-I321 HydrophobicContact CB-CD1 3.92Å | ||
| 280 | C | 87.1 | Confident | 77.2 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | trans | -58.2 | 143.7 | -168.9 | -70 | 0 | 0 | 0 | 0 | 112.1 | K209 V278 F283 T297 V299 I302 | K209-C280 VanDerWaalsContact CD-SG 3.57Å; V278-C280 HydrophobicContact CG1-CB 4.43Å; V278-C280 VanDerWaalsContact CG1-SG 3.52Å; V278-C280 PolarHBondContact O-N 2.91Å; C280-F283 HydrophobicContact CB-CB 4.26Å; C280-T297 PolarHBondContact N-OG1 3.46Å; C280-T297 WeakPolarHBondContact O-CB 3.22Å; C280-T297 PolarHBondContact O-OG1 2.92Å; C280-V299 HydrophobicContact CB-CG2 4.46Å; C280-V299 VanDerWaalsContact O-CG2 3.23Å; C280-V299 WeakPolarHBondContact O-CG2 3.49Å; C280-I302 HydrophobicContact CB-CD1 4.04Å | ||
| 281 | V | 82.8 | Confident | 76.8 | Confident | 33 Ų | 33 | 22.4 Ų | 22.4 | 20% | 0.2 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -91.6 | -25 | 170.4 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | Y207 R208 L213 | Y207-V281 HydrophobicContact CD1-CG2 4.37Å; Y207-V281 HydrophobicContact CE1-CG2 4.16Å; R208-V281 WeakPolarHBondContact O-CG2 3.42Å; R208-V281 PolarHBondContact O-N 3.01Å; R208-V281 VanDerWaalsContact O-N 3.11Å; L213-V281 HydrophobicContact CD1-CG1 3.97Å |
| 282 | N | 75.4 | Confident | 77.1 | Confident | 90 Ų | 90 | 20 Ų | 20 | 48% | 0.481 | 11% | 0.114 | S | C | . | . | trans | -146 | 132.5 | 174.6 | -79.1 | -37.7 | 0 | 0 | 0 | 109.8 | ||||
| 283 | F | 74.9 | Confident | 77.5 | Confident | 13 Ų | 13 | 16.4 Ų | 16.4 | 6% | 0.057 | 10% | 0.095 | C | C | . | . | trans | -145.7 | 115 | -179.9 | -170.7 | -96.4 | 0 | 0 | 0 | 110.7 | C280 G285 L288 G300 G301 I302 V305 | C280-F283 HydrophobicContact CB-CB 4.26Å; F283-G285 VanDerWaalsContact C-N 3.32Å; F283-G285 VanDerWaalsContact CD1-N 3.29Å; F283-G285 PolarHBondContact O-N 3.34Å; F283-L288 HydrophobicContact CE2-CD2 4.14Å; F283-L288 HydrophobicContact CZ-CD2 3.9Å; F283-G300 CarbonylContact O-C 3.6Å; F283-G300 WeakPolarHBondContact O-CA 3.49Å; F283-G301 PolarHBondContact O-N 3Å; F283-I302 HydrophobicContact CB-CD1 3.66Å; F283-I302 HydrophobicContact CB-CG1 3.74Å; F283-I302 HydrophobicContact CD1-CD1 4.31Å; F283-I302 HydrophobicContact CD1-CG1 3.48Å; F283-I302 VanDerWaalsContact CD1-CG1 3.48Å; F283-I302 HydrophobicContact CE1-CG1 4.14Å; F283-I302 HydrophobicContact CG-CD1 4Å; F283-I302 HydrophobicContact CG-CG1 3.68Å; F283-V305 HydrophobicContact CE1-CG2 4.02Å | ||
| 284 | A | 55.8 | Low | 77.7 | Confident | 10 Ų | 10 | 16 Ų | 16 | 8% | 0.083 | 9% | 0.092 | C | C | . | . | trans | -70.1 | -30.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H126 L128 V156 S157 | H126-A284 VanDerWaalsContact O-CB 3.32Å; H126-A284 WeakPolarHBondContact O-CB 3.37Å; L128-A284 HydrophobicContact CB-CB 3.83Å; V156-A284 HydrophobicContact CG2-CB 4.09Å; V156-A284 WeakPolarHBondContact CG2-O 3.45Å; S157-A284 WeakPolarHBondContact CB-O 3.38Å; S157-A284 PolarHBondContact OG-O 3.47Å | ||
| 285 | G | 60.6 | Low | 78 | Confident | 15 Ų | 15 | 15.1 Ų | 15.1 | 16% | 0.155 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 135.2 | 150.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | F283 | F283-G285 VanDerWaalsContact C-N 3.32Å; F283-G285 VanDerWaalsContact CD1-N 3.29Å; F283-G285 PolarHBondContact O-N 3.34Å |
| 286 | G | 60.5 | Low | 78.2 | Confident | 14 Ų | 14 | 15.2 Ų | 15.2 | 14% | 0.144 | 9% | 0.087 | C | C | . | . | trans | 149 | -170.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 287 | Y | 60.1 | Low | 78.3 | Confident | 55 Ų | 55 | 15 Ų | 15 | 22% | 0.216 | 9% | 0.086 | C | C | . | . | trans | -65.9 | 132 | -178.9 | -47.1 | -95 | 0 | 0 | 0 | 112 | N180 A181 L182 W353 | N180-Y287 HydrophobicContact CB-CE2 4.27Å; A181-Y287 WeakPolarHBondContact O-CE1 3.23Å; A181-Y287 PolarHBondContact O-OH 2.87Å; L182-Y287 HydrophobicContact CB-CD1 3.81Å; L182-Y287 HydrophobicContact CB-CE1 4.09Å; Y287-W353 HydrophobicContact CE1-CZ2 4.21Å; Y287-W353 AromaticContact CZ-CZ2 3.84Å; Y287-W353 WeakPolarHBondContact OH-CH2 3.01Å; Y287-W353 WeakPolarHBondContact OH-CZ2 3.47Å | ||
| 288 | L | 62.3 | Low | 78.4 | Confident | 11 Ų | 11 | 19.1 Ų | 19.1 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | trans | -108.9 | 167.1 | 157.5 | -54.4 | 179 | 0 | 0 | 0 | 107.9 | V278 F283 I290 I294 V305 | V278-L288 HydrophobicContact CB-CD2 4.38Å; V278-L288 HydrophobicContact CG1-CD2 3.8Å; V278-L288 HydrophobicContact CG2-CD2 3.81Å; F283-L288 HydrophobicContact CE2-CD2 4.14Å; F283-L288 HydrophobicContact CZ-CD2 3.9Å; L288-I290 VanDerWaalsContact C-CG1 3.49Å; L288-I290 HydrophobicContact CB-CD1 4.43Å; L288-I290 HydrophobicContact CB-CG1 4.13Å; L288-I290 WeakPolarHBondContact O-CG1 3Å; L288-I290 PolarHBondContact O-N 2.83Å; L288-I294 HydrophobicContact CB-CD1 3.55Å; L288-I294 HydrophobicContact CD1-CD1 3.67Å; L288-I294 HydrophobicContact CD1-CG2 4.22Å; L288-I294 HydrophobicContact CG-CD1 4.25Å; L288-V305 HydrophobicContact CD1-CB 4.27Å; L288-V305 HydrophobicContact CD1-CG1 3.85Å; L288-V305 HydrophobicContact CG-CG1 4.15Å | ||
| 289 | N | 60.5 | Low | 78.3 | Confident | 17 Ų | 17 | 19.5 Ų | 19.5 | 9% | 0.091 | 11% | 0.11 | C | C | . | . | trans | -79.3 | 99 | 166.2 | -74.4 | -29.7 | 0 | 0 | 0 | 107.4 | F187 A202 M266 | F187-N289 WeakPolarHBondContact CE1-OD1 3.46Å; A202-N289 WeakPolarHBondContact CB-ND2 3.41Å; M266-N289 VanDerWaalsContact CE-ND2 3.28Å; M266-N289 WeakPolarHBondContact CE-ND2 3.44Å | ||
| 290 | I | 64 | Low | 78.1 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -7.5 | -155.6 | -35.3 | -159.3 | 0 | 0 | 0 | 113.9 | L182 L288 L292 I294 L306 V343 I347 | L182-I290 HydrophobicContact CD2-CD1 3.18Å; L182-I290 HydrophobicContact CD2-CG1 3.93Å; L288-I290 VanDerWaalsContact C-CG1 3.49Å; L288-I290 HydrophobicContact CB-CD1 4.43Å; L288-I290 HydrophobicContact CB-CG1 4.13Å; L288-I290 WeakPolarHBondContact O-CG1 3Å; L288-I290 PolarHBondContact O-N 2.83Å; I290-L292 PolarHBondContact O-N 3.11Å; I290-L292 VanDerWaalsContact O-N 3.15Å; I290-I294 HydrophobicContact CG2-CD1 4.3Å; I290-L306 HydrophobicContact CG2-CD1 3.79Å; I290-L306 HydrophobicContact CG2-CD2 3.6Å; I290-L306 HydrophobicContact CG2-CG 4.08Å; I290-V343 WeakPolarHBondContact O-CG1 3.3Å; I290-I347 HydrophobicContact CB-CD1 3.55Å; I290-I347 HydrophobicContact CB-CG1 4.25Å; I290-I347 HydrophobicContact CB-CG2 3.95Å; I290-I347 HydrophobicContact CD1-CG2 4.24Å; I290-I347 HydrophobicContact CG1-CG2 4.47Å; I290-I347 HydrophobicContact CG2-CB 4.42Å; I290-I347 HydrophobicContact CG2-CD1 3.12Å; I290-I347 HydrophobicContact CG2-CG1 3.57Å; I290-I347 HydrophobicContact CG2-CG2 3.98Å; I290-I347 WeakPolarHBondContact O-CD1 3.45Å |
| 291 | S | 74.4 | Confident | 78.1 | Confident | 6 Ų | 6 | 20.1 Ų | 20.1 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 10.6 | -178.8 | -53.4 | 0 | 0 | 0 | 0 | 115.1 | F187 | F187-S291 WeakPolarHBondContact CB-OG 3.48Å; F187-S291 VanDerWaalsContact O-CB 3.25Å; F187-S291 WeakPolarHBondContact O-CB 3.31Å; F187-S291 PolarHBondContact O-OG 3.13Å |
| 292 | L | 85.9 | Confident | 78.3 | Confident | 12 Ų | 12 | 18.5 Ų | 18.5 | 6% | 0.063 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -125.3 | 159.1 | -179.6 | -60.5 | 178.3 | 0 | 0 | 0 | 109.1 | I200 C273 C276 I290 I294 | I200-L292 HydrophobicContact CG2-CD1 3.64Å; C273-L292 HydrophobicContact CB-CD1 3.71Å; C273-L292 WeakPolarHBondContact O-CD2 3.39Å; C276-L292 HydrophobicContact CB-CB 4.15Å; C276-L292 HydrophobicContact CB-CD1 4.2Å; I290-L292 PolarHBondContact O-N 3.11Å; I290-L292 VanDerWaalsContact O-N 3.15Å; L292-I294 WeakPolarHBondContact O-CG1 3.46Å; L292-I294 PolarHBondContact O-N 3.05Å |
| 293 | H | 90.5 | Very high | 78.9 | Confident | 11 Ų | 11 | 16.7 Ų | 16.7 | 5% | 0.051 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 128.4 | 167.5 | -172.4 | 72.7 | 0 | 0 | 0 | 109.1 | V274 I275 C276 T312 R331 L337 | V274-H293 PolarHBondContact O-N 2.83Å; I275-H293 WeakPolarHBondContact CA-O 3.38Å; C276-H293 PolarHBondContact N-O 3.12Å; H293-T312 PolarHBondContact NE2-OG1 2.92Å; H293-R331 PolarHBondContact CE1-NH1 2.85Å; H293-L337 HydrophobicContact CB-CD1 3.9Å; H293-L337 HydrophobicContact CB-CD2 4.07Å; H293-L337 HydrophobicContact CB-CG 4.49Å |
| 294 | I | 92.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129 | -175.4 | -55.1 | -161.8 | 0 | 0 | 0 | 109.6 | C276 V278 L288 I290 L292 L306 L310 I311 T312 | C276-I294 WeakPolarHBondContact O-CA 3.29Å; V278-I294 HydrophobicContact CG2-CG2 4.06Å; L288-I294 HydrophobicContact CB-CD1 3.55Å; L288-I294 HydrophobicContact CD1-CD1 3.67Å; L288-I294 HydrophobicContact CD1-CG2 4.22Å; L288-I294 HydrophobicContact CG-CD1 4.25Å; I290-I294 HydrophobicContact CG2-CD1 4.3Å; L292-I294 WeakPolarHBondContact O-CG1 3.46Å; L292-I294 PolarHBondContact O-N 3.05Å; I294-L306 HydrophobicContact CB-CD1 4.3Å; I294-L306 HydrophobicContact CD1-CD1 3.42Å; I294-L306 VanDerWaalsContact CD1-CD1 3.42Å; I294-L306 HydrophobicContact CG1-CD1 3.81Å; I294-L310 PolarHBondContact N-O 2.75Å; I294-I311 HydrophobicContact CB-CB 4.39Å; I294-I311 HydrophobicContact CB-CD1 4.4Å; I294-I311 HydrophobicContact CB-CG1 4.03Å; I294-I311 HydrophobicContact CG2-CD1 4.04Å; I294-I311 HydrophobicContact CG2-CG1 4.04Å; I294-I311 CarbonylContact O-C 3.55Å; I294-I311 VanDerWaalsContact O-CA 3.28Å; I294-I311 WeakPolarHBondContact O-CA 3.25Å; I294-T312 PolarHBondContact O-N 3.15Å |
| 295 | V | 94.7 | Very high | 81 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120 | 164 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | I275 C276 I277 V278 T312 A324 L325 A328 | I275-V295 HydrophobicContact CG2-CB 4.32Å; I275-V295 HydrophobicContact CG2-CG2 3.77Å; C276-V295 PolarHBondContact O-N 3.28Å; I277-V295 CarbonylContact C-O 3.2Å; I277-V295 VanDerWaalsContact CA-O 3.24Å; I277-V295 WeakPolarHBondContact CA-O 3.33Å; I277-V295 HydrophobicContact CG1-CB 4.47Å; V278-V295 PolarHBondContact N-O 2.54Å; V295-T312 WeakPolarHBondContact CA-O 3.45Å; V295-A324 HydrophobicContact CG1-CB 3.71Å; V295-L325 HydrophobicContact CB-CD2 4.31Å; V295-L325 HydrophobicContact CG1-CD2 4.34Å; V295-L325 HydrophobicContact CG1-CG 4.17Å; V295-L325 HydrophobicContact CG2-CD2 4.16Å; V295-A328 HydrophobicContact CG2-CB 3.52Å |
| 296 | S | 94 | Very high | 82.3 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.6 | -174.4 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | V278 I302 T312 L313 A314 | V278-S296 WeakPolarHBondContact CB-OG 3.48Å; V278-S296 WeakPolarHBondContact O-CA 3.05Å; V278-S296 PolarHBondContact O-OG 3.26Å; S296-I302 WeakPolarHBondContact OG-CD1 3.29Å; S296-I302 VanDerWaalsContact OG-CG2 3.29Å; S296-I302 WeakPolarHBondContact OG-CG2 3.41Å; S296-T312 PolarHBondContact N-O 2.95Å; S296-L313 CarbonylContact O-C 3.59Å; S296-L313 VanDerWaalsContact O-CA 3.31Å; S296-L313 WeakPolarHBondContact O-CA 3.47Å; S296-A314 PolarHBondContact O-N 3.45Å |
| 297 | T | 94.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 143.4 | 167.9 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | V278 C280 V299 I302 A314 P316 I321 | V278-T297 PolarHBondContact O-N 3.27Å; C280-T297 PolarHBondContact N-OG1 3.46Å; C280-T297 WeakPolarHBondContact O-CB 3.22Å; C280-T297 PolarHBondContact O-OG1 2.92Å; T297-V299 PolarHBondContact O-N 3.39Å; T297-I302 WeakPolarHBondContact O-CD1 3.35Å; T297-I302 WeakPolarHBondContact O-CG2 3.4Å; T297-A314 CarbonylContact C-O 3.1Å; T297-A314 WeakPolarHBondContact CA-O 3.49Å; T297-P316 HydrophobicContact CG2-CB 4.2Å; T297-I321 HydrophobicContact CG2-CD1 3.86Å; T297-I321 HydrophobicContact CG2-CG1 3.93Å |
| 298 | N | 94 | Very high | 85.1 | Confident | 89 Ų | 89 | 23.1 Ų | 23.1 | 48% | 0.476 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -81.2 | 65.5 | 179 | -170.6 | 16.1 | 0 | 0 | 0 | 110.9 | P303 L313 A314 | N298-P303 WeakPolarHBondContact OD1-CG 3.42Å; N298-L313 HydrophobicContact CB-CB 4.15Å; N298-A314 WeakPolarHBondContact CB-O 3.28Å; N298-A314 PolarHBondContact N-O 3.26Å |
| 299 | V | 89.7 | Confident | 86.4 | Confident | 22 Ų | 22 | 25.2 Ų | 25.2 | 13% | 0.133 | 15% | 0.152 | C | C | . | . | trans | -131.1 | 147.4 | -176.8 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | C280 T297 G301 I302 P316 | C280-V299 HydrophobicContact CB-CG2 4.46Å; C280-V299 VanDerWaalsContact O-CG2 3.23Å; C280-V299 WeakPolarHBondContact O-CG2 3.49Å; T297-V299 PolarHBondContact O-N 3.39Å; V299-G301 PolarHBondContact O-N 3Å; V299-I302 HydrophobicContact CG2-CD1 3.79Å; V299-I302 WeakPolarHBondContact O-CB 2.89Å; V299-I302 WeakPolarHBondContact O-CD1 3.18Å; V299-I302 WeakPolarHBondContact O-CG1 2.93Å; V299-I302 PolarHBondContact O-N 2.98Å; V299-P316 HydrophobicContact CG1-CB 3.72Å; V299-P316 HydrophobicContact CG1-CG 3.85Å | ||
| 300 | G | 86.8 | Confident | 87.8 | Confident | 19 Ų | 19 | 24.6 Ų | 24.6 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -138.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T159 F283 I302 P303 | T159-G300 PolarHBondContact OG1-O 3.43Å; F283-G300 CarbonylContact O-C 3.6Å; F283-G300 WeakPolarHBondContact O-CA 3.49Å; G300-I302 VanDerWaalsContact C-N 3.28Å; G300-I302 PolarHBondContact O-N 2.78Å; G300-P303 WeakPolarHBondContact O-CD 3.36Å |
| 301 | G | 86 | Confident | 89.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | F283 V299 P303 E304 V305 | F283-G301 PolarHBondContact O-N 3Å; V299-G301 PolarHBondContact O-N 3Å; G301-P303 VanDerWaalsContact C-CD 3.49Å; G301-E304 WeakPolarHBondContact O-CB 3.45Å; G301-E304 PolarHBondContact O-N 2.9Å; G301-V305 WeakPolarHBondContact O-CG2 3.13Å |
| 302 | I | 87.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -56 | -45 | -178.5 | -74 | 162 | 0 | 0 | 0 | 113 | C280 F283 S296 T297 V299 G300 E304 V305 I311 L313 | C280-I302 HydrophobicContact CB-CD1 4.04Å; F283-I302 HydrophobicContact CB-CD1 3.66Å; F283-I302 HydrophobicContact CB-CG1 3.74Å; F283-I302 HydrophobicContact CD1-CD1 4.31Å; F283-I302 HydrophobicContact CD1-CG1 3.48Å; F283-I302 VanDerWaalsContact CD1-CG1 3.48Å; F283-I302 HydrophobicContact CE1-CG1 4.14Å; F283-I302 HydrophobicContact CG-CD1 4Å; F283-I302 HydrophobicContact CG-CG1 3.68Å; S296-I302 WeakPolarHBondContact OG-CD1 3.29Å; S296-I302 VanDerWaalsContact OG-CG2 3.29Å; S296-I302 WeakPolarHBondContact OG-CG2 3.41Å; T297-I302 WeakPolarHBondContact O-CD1 3.35Å; T297-I302 WeakPolarHBondContact O-CG2 3.4Å; V299-I302 HydrophobicContact CG2-CD1 3.79Å; V299-I302 WeakPolarHBondContact O-CB 2.89Å; V299-I302 WeakPolarHBondContact O-CD1 3.18Å; V299-I302 WeakPolarHBondContact O-CG1 2.93Å; V299-I302 PolarHBondContact O-N 2.98Å; G300-I302 VanDerWaalsContact C-N 3.28Å; G300-I302 PolarHBondContact O-N 2.78Å; I302-E304 PolarHBondContact O-N 3.28Å; I302-E304 VanDerWaalsContact O-N 3.09Å; I302-V305 WeakPolarHBondContact O-CB 3.2Å; I302-V305 PolarHBondContact O-N 3.26Å; I302-I311 HydrophobicContact CG2-CD1 3.81Å; I302-L313 HydrophobicContact CG2-CD2 3.76Å |
| 303 | P | 88.8 | Confident | 90.7 | Very high | 52 Ų | 52 | 28.1 Ų | 28.1 | 34% | 0.338 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -63.5 | -18.2 | -178.2 | -24.9 | 38.1 | 0 | 0 | 0 | 113.6 | N298 G300 G301 L313 | N298-P303 WeakPolarHBondContact OD1-CG 3.42Å; G300-P303 WeakPolarHBondContact O-CD 3.36Å; G301-P303 VanDerWaalsContact C-CD 3.49Å; P303-L313 HydrophobicContact CB-CD1 3.99Å; P303-L313 HydrophobicContact CG-CD1 4.12Å |
| 304 | E | 89.1 | Confident | 90.9 | Very high | 73 Ų | 73 | 27.9 Ų | 27.9 | 34% | 0.341 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -86.8 | -12.2 | 178.9 | -54.6 | 177.6 | -134 | 0 | 0 | 112.4 | S157 H158 T159 G301 I302 | S157-E304 WeakPolarHBondContact CB-OE2 3.42Å; H158-E304 WeakPolarHBondContact CB-OE2 3.27Å; H158-E304 IonicContact CD2-OE2 3.64Å; H158-E304 PolarHBondContact CD2-OE2 3.28Å; H158-E304 IonicContact CG-OE2 2.7Å; H158-E304 PolarHBondContact N-OE1 3.48Å; H158-E304 PolarHBondContact N-OE2 2.94Å; T159-E304 WeakPolarHBondContact CB-OE1 3.44Å; T159-E304 PolarHBondContact N-OE1 2.87Å; T159-E304 PolarHBondContact OG1-OE1 3.41Å; G301-E304 WeakPolarHBondContact O-CB 3.45Å; G301-E304 PolarHBondContact O-N 2.9Å; I302-E304 PolarHBondContact O-N 3.28Å; I302-E304 VanDerWaalsContact O-N 3.09Å |
| 305 | V | 84.7 | Confident | 91.1 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -33 | -172.7 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | F283 L288 G301 I302 Y351 | F283-V305 HydrophobicContact CE1-CG2 4.02Å; L288-V305 HydrophobicContact CD1-CB 4.27Å; L288-V305 HydrophobicContact CD1-CG1 3.85Å; L288-V305 HydrophobicContact CG-CG1 4.15Å; G301-V305 WeakPolarHBondContact O-CG2 3.13Å; I302-V305 WeakPolarHBondContact O-CB 3.2Å; I302-V305 PolarHBondContact O-N 3.26Å; V305-Y351 WeakPolarHBondContact CA-OH 3.43Å; V305-Y351 WeakPolarHBondContact O-CE2 3.38Å; V305-Y351 VanDerWaalsContact O-CZ 3.3Å; V305-Y351 PolarHBondContact O-OH 2.81Å |
| 306 | L | 87.1 | Confident | 91 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -141.2 | 146.1 | -177 | -79.5 | -178.3 | 0 | 0 | 0 | 112 | I290 I294 L310 I311 I347 | I290-L306 HydrophobicContact CG2-CD1 3.79Å; I290-L306 HydrophobicContact CG2-CD2 3.6Å; I290-L306 HydrophobicContact CG2-CG 4.08Å; I294-L306 HydrophobicContact CB-CD1 4.3Å; I294-L306 HydrophobicContact CD1-CD1 3.42Å; I294-L306 VanDerWaalsContact CD1-CD1 3.42Å; I294-L306 HydrophobicContact CG1-CD1 3.81Å; L306-L310 HydrophobicContact CB-CB 4.34Å; L306-L310 HydrophobicContact CD1-CB 4.07Å; L306-L310 HydrophobicContact CD2-CB 4.44Å; L306-L310 HydrophobicContact CD2-CD1 4.14Å; L306-I311 HydrophobicContact CB-CB 4.07Å; L306-I311 HydrophobicContact CB-CG2 3.96Å; L306-I311 HydrophobicContact CD1-CB 4.35Å; L306-I347 HydrophobicContact CD2-CG1 4.31Å |
| 307 | P | 89 | Confident | 91.1 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 28% | 0.279 | 23% | 0.226 | S | C | . | . | trans | -53.1 | 146.1 | 164.4 | -26.5 | 36.6 | 0 | 0 | 0 | 111.9 | D309 L310 M350 | P307-D309 WeakPolarHBondContact CB-OD1 3.35Å; P307-D309 PolarHBondContact O-N 3.05Å; P307-L310 PolarHBondContact O-N 2.98Å; P307-M350 HydrophobicContact CG-CE 3.78Å; P307-M350 HydrophobicContact CG-SD 4.24Å | ||
| 308 | S | 90.4 | Very high | 91.2 | Very high | 106 Ų | 106 | 41.4 Ų | 41.4 | 74% | 0.741 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.8 | -174 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 309 | D | 90.9 | Very high | 91.4 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -22.2 | 176.7 | 63.8 | -63.1 | 0 | 0 | 0 | 113.1 | P307 R346 | P307-D309 WeakPolarHBondContact CB-OD1 3.35Å; P307-D309 PolarHBondContact O-N 3.05Å; D309-R346 IonicContact OD1-CZ 3.86Å; D309-R346 IonicContact OD1-NH2 3.83Å; D309-R346 PolarHBondContact OD1-NH2 2.8Å; D309-R346 IonicContact OD2-CZ 2.81Å; D309-R346 VanDerWaalsContact OD2-CZ 3.31Å; D309-R346 IonicContact OD2-NH1 3.94Å; D309-R346 PolarHBondContact OD2-NH1 3.21Å; D309-R346 IonicContact OD2-NH2 2.56Å; D309-R346 PolarHBondContact OD2-NH2 3.45Å; D309-R346 VanDerWaalsContact OD2-NH2 3.09Å |
| 310 | L | 90.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -8.5 | -179.1 | -54.9 | -170.5 | 0 | 0 | 0 | 113.7 | I294 L306 P307 P338 V343 | I294-L310 PolarHBondContact N-O 2.75Å; L306-L310 HydrophobicContact CB-CB 4.34Å; L306-L310 HydrophobicContact CD1-CB 4.07Å; L306-L310 HydrophobicContact CD2-CB 4.44Å; L306-L310 HydrophobicContact CD2-CD1 4.14Å; P307-L310 PolarHBondContact O-N 2.98Å; L310-P338 HydrophobicContact CD2-CB 4.09Å; L310-P338 HydrophobicContact CD2-CG 3.81Å; L310-V343 HydrophobicContact CD1-CG1 4.43Å; L310-V343 HydrophobicContact CD2-CG2 3.8Å |
| 311 | I | 92.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 131.9 | -177.4 | -168.9 | 166.4 | 0 | 0 | 0 | 111.6 | I294 I302 L306 L313 | I294-I311 HydrophobicContact CB-CB 4.39Å; I294-I311 HydrophobicContact CB-CD1 4.4Å; I294-I311 HydrophobicContact CB-CG1 4.03Å; I294-I311 HydrophobicContact CG2-CD1 4.04Å; I294-I311 HydrophobicContact CG2-CG1 4.04Å; I294-I311 CarbonylContact O-C 3.55Å; I294-I311 VanDerWaalsContact O-CA 3.28Å; I294-I311 WeakPolarHBondContact O-CA 3.25Å; I302-I311 HydrophobicContact CG2-CD1 3.81Å; L306-I311 HydrophobicContact CB-CB 4.07Å; L306-I311 HydrophobicContact CB-CG2 3.96Å; L306-I311 HydrophobicContact CD1-CB 4.35Å; I311-L313 HydrophobicContact CD1-CD2 3.73Å; I311-L313 HydrophobicContact CG1-CD2 3.92Å; I311-L313 HydrophobicContact CG1-CG 4.48Å; I311-L313 HydrophobicContact CG2-CG 4.5Å |
| 312 | T | 95.3 | Very high | 92.9 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 13% | 0.129 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.2 | 166.9 | -61.1 | 0 | 0 | 0 | 0 | 108.5 | H293 I294 V295 S296 A324 | H293-T312 PolarHBondContact NE2-OG1 2.92Å; I294-T312 PolarHBondContact O-N 3.15Å; V295-T312 WeakPolarHBondContact CA-O 3.45Å; S296-T312 PolarHBondContact N-O 2.95Å; T312-A324 HydrophobicContact CG2-CB 3.84Å |
| 313 | L | 95.8 | Very high | 93.3 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 36% | 0.361 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 127.3 | 179.6 | -64.3 | 177 | 0 | 0 | 0 | 110.7 | S296 N298 I302 P303 I311 | S296-L313 CarbonylContact O-C 3.59Å; S296-L313 VanDerWaalsContact O-CA 3.31Å; S296-L313 WeakPolarHBondContact O-CA 3.47Å; N298-L313 HydrophobicContact CB-CB 4.15Å; I302-L313 HydrophobicContact CG2-CD2 3.76Å; P303-L313 HydrophobicContact CB-CD1 3.99Å; P303-L313 HydrophobicContact CG-CD1 4.12Å; I311-L313 HydrophobicContact CD1-CD2 3.73Å; I311-L313 HydrophobicContact CG1-CD2 3.92Å; I311-L313 HydrophobicContact CG1-CG 4.48Å; I311-L313 HydrophobicContact CG2-CG 4.5Å |
| 314 | A | 96.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 150.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S296 T297 N298 G320 I321 A324 | S296-A314 PolarHBondContact O-N 3.45Å; T297-A314 CarbonylContact C-O 3.1Å; T297-A314 WeakPolarHBondContact CA-O 3.49Å; N298-A314 WeakPolarHBondContact CB-O 3.28Å; N298-A314 PolarHBondContact N-O 3.26Å; A314-G320 WeakPolarHBondContact CB-O 3.33Å; A314-I321 HydrophobicContact CB-CG1 4.23Å; A314-A324 HydrophobicContact CB-CB 3.63Å |
| 315 | E | 95.4 | Very high | 94.1 | Very high | 134 Ų | 134 | 38.7 Ų | 38.7 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | trans | -59.4 | 142.4 | 160.1 | -171.1 | -169.7 | -156.5 | 0 | 0 | 109.2 | S317 | E315-S317 PolarHBondContact O-N 3.17Å; E315-S317 PolarHBondContact OE2-OG 3.2Å | ||
| 316 | P | 93.3 | Very high | 94.7 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -72.2 | 51.5 | 176.8 | 32.1 | -37.9 | 0 | 0 | 0 | 113.2 | T297 V299 | T297-P316 HydrophobicContact CG2-CB 4.2Å; V299-P316 HydrophobicContact CG1-CB 3.72Å; V299-P316 HydrophobicContact CG1-CG 3.85Å |
| 317 | S | 95.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -128 | 159.9 | 178.2 | 70.1 | 0 | 0 | 0 | 0 | 109.5 | E315 Q319 G320 I321 | E315-S317 PolarHBondContact O-N 3.17Å; E315-S317 PolarHBondContact OE2-OG 3.2Å; S317-Q319 VanDerWaalsContact C-N 3.33Å; S317-Q319 PolarHBondContact O-N 3.25Å; S317-G320 PolarHBondContact O-N 2.88Å; S317-G320 PolarHBondContact OG-N 3.23Å; S317-I321 WeakPolarHBondContact O-CG1 3.37Å; S317-I321 PolarHBondContact O-N 3.03Å; S317-I321 VanDerWaalsContact O-N 3.11Å |
| 318 | I | 96.8 | Very high | 95.4 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 178.3 | -62 | 164.5 | 0 | 0 | 0 | 109.7 | L213 V217 M220 I321 V322 | L213-I318 HydrophobicContact CD2-CG1 3.87Å; V217-I318 HydrophobicContact CG2-CG2 4.02Å; M220-I318 HydrophobicContact CE-CG2 3.57Å; M220-I318 HydrophobicContact SD-CG2 3.79Å; I318-I321 PolarHBondContact O-N 3.37Å; I318-V322 WeakPolarHBondContact O-CG2 3.29Å; I318-V322 PolarHBondContact O-N 3.41Å; I318-V322 VanDerWaalsContact O-N 3.09Å |
| 319 | Q | 97.4 | Very high | 95.6 | Very high | 99 Ų | 99 | 34.5 Ų | 34.5 | 46% | 0.463 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.5 | -42.7 | -179.9 | -168.7 | 60.5 | 47.3 | 0 | 0 | 111.7 | S317 I321 V322 D323 | S317-Q319 VanDerWaalsContact C-N 3.33Å; S317-Q319 PolarHBondContact O-N 3.25Å; Q319-I321 VanDerWaalsContact C-N 3.29Å; Q319-I321 PolarHBondContact O-N 3.16Å; Q319-V322 PolarHBondContact O-N 2.79Å; Q319-V322 VanDerWaalsContact O-N 3.1Å; Q319-D323 PolarHBondContact NE2-OD1 3.11Å; Q319-D323 VanDerWaalsContact O-CG 3.24Å; Q319-D323 PolarHBondContact O-N 3.01Å |
| 320 | G | 97.5 | Very high | 95.7 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -39 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A314 S317 A324 | A314-G320 WeakPolarHBondContact CB-O 3.33Å; S317-G320 PolarHBondContact O-N 2.88Å; S317-G320 PolarHBondContact OG-N 3.23Å; G320-A324 WeakPolarHBondContact O-CB 3.35Å; G320-A324 PolarHBondContact O-N 3.34Å; G320-A324 VanDerWaalsContact O-N 3.09Å |
| 321 | I | 97.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.3 | -40.8 | 175.6 | -63.3 | 165.8 | 0 | 0 | 0 | 111 | L213 V217 I277 P279 T297 A314 S317 I318 Q319 A324 L325 | L213-I321 HydrophobicContact CB-CD1 3.96Å; L213-I321 HydrophobicContact CD1-CD1 3.91Å; V217-I321 HydrophobicContact CB-CG2 4.47Å; V217-I321 HydrophobicContact CG1-CG2 3.9Å; V217-I321 HydrophobicContact CG2-CB 3.91Å; V217-I321 HydrophobicContact CG2-CD1 4.35Å; V217-I321 HydrophobicContact CG2-CG2 3.84Å; I277-I321 HydrophobicContact CG2-CG2 4.42Å; P279-I321 HydrophobicContact CB-CD1 3.92Å; T297-I321 HydrophobicContact CG2-CD1 3.86Å; T297-I321 HydrophobicContact CG2-CG1 3.93Å; A314-I321 HydrophobicContact CB-CG1 4.23Å; S317-I321 WeakPolarHBondContact O-CG1 3.37Å; S317-I321 PolarHBondContact O-N 3.03Å; S317-I321 VanDerWaalsContact O-N 3.11Å; I318-I321 PolarHBondContact O-N 3.37Å; Q319-I321 VanDerWaalsContact C-N 3.29Å; Q319-I321 PolarHBondContact O-N 3.16Å; I321-A324 PolarHBondContact O-N 3.41Å; I321-L325 HydrophobicContact CG2-CD1 4.13Å; I321-L325 WeakPolarHBondContact O-CB 3.48Å; I321-L325 WeakPolarHBondContact O-CG 3.47Å; I321-L325 PolarHBondContact O-N 3.08Å |
| 322 | V | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -48.3 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V217 M220 V221 I318 Q319 A324 L325 D326 | V217-V322 HydrophobicContact CG1-CG2 4.12Å; V217-V322 HydrophobicContact CG2-CG2 4.3Å; M220-V322 HydrophobicContact CB-CG2 4.21Å; M220-V322 HydrophobicContact SD-CG2 4.08Å; V221-V322 HydrophobicContact CG2-CG2 4.35Å; I318-V322 WeakPolarHBondContact O-CG2 3.29Å; I318-V322 PolarHBondContact O-N 3.41Å; I318-V322 VanDerWaalsContact O-N 3.09Å; Q319-V322 PolarHBondContact O-N 2.79Å; Q319-V322 VanDerWaalsContact O-N 3.1Å; V322-A324 VanDerWaalsContact C-N 3.34Å; V322-A324 PolarHBondContact O-N 2.76Å; V322-L325 CarbonylContact O-C 3.55Å; V322-L325 WeakPolarHBondContact O-CB 3.24Å; V322-L325 PolarHBondContact O-N 2.93Å; V322-L325 VanDerWaalsContact O-N 3.11Å; V322-D326 VanDerWaalsContact O-CG 3.25Å; V322-D326 PolarHBondContact O-N 3.2Å |
| 323 | D | 98 | Very high | 95.5 | Very high | 81 Ų | 81 | 45.5 Ų | 45.5 | 43% | 0.433 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.1 | -40.5 | -179.5 | -63.9 | -19.4 | 0 | 0 | 0 | 111.8 | Q319 L325 D326 S327 | Q319-D323 PolarHBondContact NE2-OD1 3.11Å; Q319-D323 VanDerWaalsContact O-CG 3.24Å; Q319-D323 PolarHBondContact O-N 3.01Å; D323-L325 VanDerWaalsContact C-N 3.32Å; D323-L325 PolarHBondContact O-N 2.76Å; D323-D326 PolarHBondContact O-N 3.02Å; D323-S327 WeakPolarHBondContact O-CB 3.29Å; D323-S327 PolarHBondContact O-N 3.48Å |
| 324 | A | 97.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.8 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V295 T312 A314 G320 I321 V322 A328 | V295-A324 HydrophobicContact CG1-CB 3.71Å; T312-A324 HydrophobicContact CG2-CB 3.84Å; A314-A324 HydrophobicContact CB-CB 3.63Å; G320-A324 WeakPolarHBondContact O-CB 3.35Å; G320-A324 PolarHBondContact O-N 3.34Å; G320-A324 VanDerWaalsContact O-N 3.09Å; I321-A324 PolarHBondContact O-N 3.41Å; V322-A324 VanDerWaalsContact C-N 3.34Å; V322-A324 PolarHBondContact O-N 2.76Å; A324-A328 WeakPolarHBondContact O-CB 3.49Å; A324-A328 PolarHBondContact O-N 2.82Å |
| 325 | L | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 173.4 | -85.5 | 171.8 | 0 | 0 | 0 | 112.3 | I199 V217 V221 I275 I277 V295 I321 V322 D323 S327 A328 I329 | I199-L325 HydrophobicContact CD1-CD2 3.86Å; V217-L325 HydrophobicContact CG1-CD1 3.75Å; V221-L325 HydrophobicContact CG2-CD1 3.88Å; I275-L325 HydrophobicContact CG2-CD2 4.23Å; I277-L325 HydrophobicContact CD1-CD1 3.55Å; I277-L325 HydrophobicContact CD1-CD2 3.73Å; I277-L325 HydrophobicContact CD1-CG 4.13Å; I277-L325 HydrophobicContact CG1-CD1 4.24Å; I277-L325 HydrophobicContact CG1-CD2 3.7Å; I277-L325 HydrophobicContact CG1-CG 4.31Å; V295-L325 HydrophobicContact CB-CD2 4.31Å; V295-L325 HydrophobicContact CG1-CD2 4.34Å; V295-L325 HydrophobicContact CG1-CG 4.17Å; V295-L325 HydrophobicContact CG2-CD2 4.16Å; I321-L325 HydrophobicContact CG2-CD1 4.13Å; I321-L325 WeakPolarHBondContact O-CB 3.48Å; I321-L325 WeakPolarHBondContact O-CG 3.47Å; I321-L325 PolarHBondContact O-N 3.08Å; V322-L325 CarbonylContact O-C 3.55Å; V322-L325 WeakPolarHBondContact O-CB 3.24Å; V322-L325 PolarHBondContact O-N 2.93Å; V322-L325 VanDerWaalsContact O-N 3.11Å; D323-L325 VanDerWaalsContact C-N 3.32Å; D323-L325 PolarHBondContact O-N 2.76Å; L325-S327 VanDerWaalsContact C-N 3.28Å; L325-S327 PolarHBondContact O-N 2.93Å; L325-A328 PolarHBondContact O-N 2.97Å; L325-I329 WeakPolarHBondContact O-CB 3.43Å; L325-I329 WeakPolarHBondContact O-CD1 3.15Å; L325-I329 VanDerWaalsContact O-CG1 3.24Å; L325-I329 WeakPolarHBondContact O-CG1 3.39Å; L325-I329 PolarHBondContact O-N 3.39Å |
| 326 | D | 96.8 | Very high | 94.7 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.4 | -48.4 | 174.3 | -61.4 | -43.9 | 0 | 0 | 0 | 109.9 | R224 Y225 V322 D323 A328 I329 Q330 | R224-D326 WeakPolarHBondContact CD-OD1 3Å; R224-D326 IonicContact CZ-OD1 3.71Å; R224-D326 IonicContact CZ-OD2 3.41Å; R224-D326 IonicContact NH1-OD1 3.79Å; R224-D326 PolarHBondContact NH1-OD1 3.43Å; R224-D326 IonicContact NH1-OD2 3.59Å; R224-D326 PolarHBondContact NH1-OD2 2.74Å; Y225-D326 WeakPolarHBondContact CE2-OD1 3.28Å; Y225-D326 PolarHBondContact OH-OD1 3.09Å; Y225-D326 VanDerWaalsContact OH-OD1 3.13Å; V322-D326 VanDerWaalsContact O-CG 3.25Å; V322-D326 PolarHBondContact O-N 3.2Å; D323-D326 PolarHBondContact O-N 3.02Å; D326-A328 VanDerWaalsContact C-N 3.34Å; D326-A328 PolarHBondContact O-N 3.31Å; D326-I329 PolarHBondContact O-N 3.35Å; D326-Q330 WeakPolarHBondContact O-CB 3.43Å; D326-Q330 VanDerWaalsContact O-CG 3.22Å; D326-Q330 WeakPolarHBondContact O-CG 3.38Å; D326-Q330 PolarHBondContact O-N 3.03Å |
| 327 | S | 96.4 | Very high | 94.5 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 40% | 0.399 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.8 | -46.7 | 177.8 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | D323 L325 Q330 R331 | D323-S327 WeakPolarHBondContact O-CB 3.29Å; D323-S327 PolarHBondContact O-N 3.48Å; L325-S327 VanDerWaalsContact C-N 3.28Å; L325-S327 PolarHBondContact O-N 2.93Å; S327-Q330 PolarHBondContact O-N 3.41Å; S327-R331 WeakPolarHBondContact O-CB 3.48Å; S327-R331 VanDerWaalsContact O-CG 3.27Å; S327-R331 WeakPolarHBondContact O-CG 3.24Å; S327-R331 PolarHBondContact O-N 3.45Å |
| 328 | A | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I275 V295 A324 L325 D326 R331 Y332 | I275-A328 HydrophobicContact CD1-CB 3.81Å; V295-A328 HydrophobicContact CG2-CB 3.52Å; A324-A328 WeakPolarHBondContact O-CB 3.49Å; A324-A328 PolarHBondContact O-N 2.82Å; L325-A328 PolarHBondContact O-N 2.97Å; D326-A328 VanDerWaalsContact C-N 3.34Å; D326-A328 PolarHBondContact O-N 3.31Å; A328-R331 PolarHBondContact O-N 2.84Å; A328-Y332 PolarHBondContact O-N 3.17Å |
| 329 | I | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 176.8 | -73 | 164.5 | 0 | 0 | 0 | 110.6 | I197 I199 V221 Y225 V228 I275 L325 D326 R331 Y332 W333 | I197-I329 HydrophobicContact CD1-CB 4.34Å; I197-I329 HydrophobicContact CD1-CG1 4.25Å; I197-I329 HydrophobicContact CD1-CG2 3.72Å; I199-I329 HydrophobicContact CD1-CD1 4.28Å; V221-I329 HydrophobicContact CG1-CD1 4.23Å; Y225-I329 HydrophobicContact CD2-CD1 3.82Å; Y225-I329 HydrophobicContact CE1-CG2 4.34Å; Y225-I329 HydrophobicContact CE2-CD1 3.72Å; Y225-I329 HydrophobicContact CE2-CG2 4.4Å; V228-I329 HydrophobicContact CG2-CD1 4.08Å; I275-I329 HydrophobicContact CD1-CG1 4.02Å; L325-I329 WeakPolarHBondContact O-CB 3.43Å; L325-I329 WeakPolarHBondContact O-CD1 3.15Å; L325-I329 VanDerWaalsContact O-CG1 3.24Å; L325-I329 WeakPolarHBondContact O-CG1 3.39Å; L325-I329 PolarHBondContact O-N 3.39Å; D326-I329 PolarHBondContact O-N 3.35Å; I329-R331 VanDerWaalsContact C-N 3.33Å; I329-R331 PolarHBondContact O-N 2.85Å; I329-Y332 WeakPolarHBondContact O-CB 3.15Å; I329-Y332 PolarHBondContact O-N 3.49Å; I329-W333 HydrophobicContact CG2-CD2 4.15Å; I329-W333 HydrophobicContact CG2-CE3 3.91Å; I329-W333 HydrophobicContact CG2-CH2 3.6Å; I329-W333 HydrophobicContact CG2-CZ2 3.83Å; I329-W333 HydrophobicContact CG2-CZ3 3.64Å; I329-W333 PolarHBondContact O-N 2.94Å; I329-W333 VanDerWaalsContact O-N 3.09Å |
| 330 | Q | 94 | Very high | 92.9 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.3 | -66.6 | -60.4 | -23.3 | 0 | 0 | 111.4 | D326 S327 Y332 W333 A334 | D326-Q330 WeakPolarHBondContact O-CB 3.43Å; D326-Q330 VanDerWaalsContact O-CG 3.22Å; D326-Q330 WeakPolarHBondContact O-CG 3.38Å; D326-Q330 PolarHBondContact O-N 3.03Å; S327-Q330 PolarHBondContact O-N 3.41Å; Q330-Y332 VanDerWaalsContact C-N 3.29Å; Q330-Y332 PolarHBondContact O-N 3.49Å; Q330-W333 PolarHBondContact O-N 2.8Å; Q330-A334 WeakPolarHBondContact O-CB 3.25Å; Q330-A334 PolarHBondContact O-N 3.47Å |
| 331 | R | 93.1 | Very high | 92.3 | Very high | 64 Ų | 64 | 49.6 Ų | 49.6 | 24% | 0.242 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 175.3 | -77.2 | 178.9 | 66.8 | -167.9 | -3.1 | 112.4 | H293 S327 A328 I329 N335 S336 L337 | H293-R331 PolarHBondContact CE1-NH1 2.85Å; S327-R331 WeakPolarHBondContact O-CB 3.48Å; S327-R331 VanDerWaalsContact O-CG 3.27Å; S327-R331 WeakPolarHBondContact O-CG 3.24Å; S327-R331 PolarHBondContact O-N 3.45Å; A328-R331 PolarHBondContact O-N 2.84Å; I329-R331 VanDerWaalsContact C-N 3.33Å; I329-R331 PolarHBondContact O-N 2.85Å; R331-N335 PolarHBondContact O-N 3.05Å; R331-S336 WeakPolarHBondContact CA-OG 3.36Å; R331-S336 VanDerWaalsContact CB-OG 3.24Å; R331-S336 WeakPolarHBondContact CB-OG 3.13Å; R331-S336 WeakPolarHBondContact CG-OG 3.1Å; R331-S336 PolarHBondContact O-N 2.86Å; R331-S336 PolarHBondContact O-OG 2.98Å; R331-L337 HydrophobicContact CB-CD2 3.61Å; R331-L337 HydrophobicContact CB-CG 3.95Å |
| 332 | Y | 90.3 | Very high | 91.7 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.6 | -49.9 | 175.2 | 177.3 | -107.5 | 0 | 0 | 0 | 111.5 | H194 I197 V274 A328 I329 Q330 A334 N335 L337 | H194-Y332 PolarHBondContact O-OH 3.3Å; I197-Y332 HydrophobicContact CD1-CD1 3.61Å; I197-Y332 HydrophobicContact CD1-CE1 4.19Å; I197-Y332 HydrophobicContact CD1-CG 4.46Å; I197-Y332 HydrophobicContact CG1-CD1 3.6Å; I197-Y332 HydrophobicContact CG1-CE1 3.67Å; V274-Y332 HydrophobicContact CB-CD2 4.49Å; V274-Y332 HydrophobicContact CB-CE2 4.28Å; V274-Y332 HydrophobicContact CG1-CD1 4.47Å; V274-Y332 HydrophobicContact CG1-CD2 3.2Å; V274-Y332 HydrophobicContact CG1-CE2 3.3Å; V274-Y332 HydrophobicContact CG1-CG 3.81Å; V274-Y332 HydrophobicContact CG2-CE2 3.94Å; A328-Y332 PolarHBondContact O-N 3.17Å; I329-Y332 WeakPolarHBondContact O-CB 3.15Å; I329-Y332 PolarHBondContact O-N 3.49Å; Q330-Y332 VanDerWaalsContact C-N 3.29Å; Q330-Y332 PolarHBondContact O-N 3.49Å; Y332-A334 VanDerWaalsContact C-N 3.28Å; Y332-A334 PolarHBondContact O-N 3.16Å; Y332-N335 WeakPolarHBondContact O-CA 3.37Å; Y332-N335 PolarHBondContact O-N 3.22Å; Y332-L337 HydrophobicContact CD2-CD1 4.2Å; Y332-L337 HydrophobicContact CG-CD1 4.43Å |
| 333 | W | 89.9 | Confident | 91.2 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 40% | 0.398 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -33.6 | 178.5 | -70.8 | -32.7 | 0 | 0 | 0 | 113.4 | I197 Y225 I329 Q330 N335 | I197-W333 HydrophobicContact CD1-CZ2 4.02Å; Y225-W333 AromaticContact CD1-CH2 3.49Å; Y225-W333 HydrophobicContact CD1-CH2 3.49Å; Y225-W333 VanDerWaalsContact CD1-CH2 3.49Å; Y225-W333 HydrophobicContact CD1-CZ2 4.47Å; Y225-W333 HydrophobicContact CD1-CZ3 4.17Å; Y225-W333 AromaticContact CE1-CH2 3.59Å; Y225-W333 HydrophobicContact CE1-CH2 3.59Å; Y225-W333 AromaticContact CE1-CZ3 3.78Å; Y225-W333 HydrophobicContact CE1-CZ3 3.78Å; Y225-W333 HydrophobicContact CG-CH2 4.4Å; I329-W333 HydrophobicContact CG2-CD2 4.15Å; I329-W333 HydrophobicContact CG2-CE3 3.91Å; I329-W333 HydrophobicContact CG2-CH2 3.6Å; I329-W333 HydrophobicContact CG2-CZ2 3.83Å; I329-W333 HydrophobicContact CG2-CZ3 3.64Å; I329-W333 PolarHBondContact O-N 2.94Å; I329-W333 VanDerWaalsContact O-N 3.09Å; Q330-W333 PolarHBondContact O-N 2.8Å; W333-N335 PolarHBondContact O-N 3.13Å |
| 334 | A | 92.2 | Very high | 90.6 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 59% | 0.587 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 0.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q330 Y332 S336 | Q330-A334 WeakPolarHBondContact O-CB 3.25Å; Q330-A334 PolarHBondContact O-N 3.47Å; Y332-A334 VanDerWaalsContact C-N 3.28Å; Y332-A334 PolarHBondContact O-N 3.16Å; A334-S336 PolarHBondContact O-N 3.25Å |
| 335 | N | 88.6 | Confident | 90 | Very high | 136 Ų | 136 | 54.3 Ų | 54.3 | 73% | 0.727 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.1 | -172.3 | -62.7 | -73.7 | 0 | 0 | 0 | 112.9 | R331 Y332 W333 | R331-N335 PolarHBondContact O-N 3.05Å; Y332-N335 WeakPolarHBondContact O-CA 3.37Å; Y332-N335 PolarHBondContact O-N 3.22Å; W333-N335 PolarHBondContact O-N 3.13Å |
| 336 | S | 91.2 | Very high | 89.6 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | trans | -109 | 2.4 | -177.2 | 70 | 0 | 0 | 0 | 0 | 113.7 | R331 A334 | R331-S336 WeakPolarHBondContact CA-OG 3.36Å; R331-S336 VanDerWaalsContact CB-OG 3.24Å; R331-S336 WeakPolarHBondContact CB-OG 3.13Å; R331-S336 WeakPolarHBondContact CG-OG 3.1Å; R331-S336 PolarHBondContact O-N 2.86Å; R331-S336 PolarHBondContact O-OG 2.98Å; A334-S336 PolarHBondContact O-N 3.25Å | ||
| 337 | L | 88.9 | Confident | 89 | Confident | 28 Ų | 28 | 56.1 Ų | 56.1 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -78.4 | 142 | 167 | -67.2 | -175.6 | 0 | 0 | 0 | 109.7 | V274 H293 R331 Y332 | V274-L337 HydrophobicContact CG1-CD1 4.47Å; H293-L337 HydrophobicContact CB-CD1 3.9Å; H293-L337 HydrophobicContact CB-CD2 4.07Å; H293-L337 HydrophobicContact CB-CG 4.49Å; R331-L337 HydrophobicContact CB-CD2 3.61Å; R331-L337 HydrophobicContact CB-CG 3.95Å; Y332-L337 HydrophobicContact CD2-CD1 4.2Å; Y332-L337 HydrophobicContact CG-CD1 4.43Å |
| 338 | P | 87.2 | Confident | 88.4 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 21% | 0.214 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 147 | 175.2 | -24.4 | 35.1 | 0 | 0 | 0 | 112.1 | L310 V343 | L310-P338 HydrophobicContact CD2-CB 4.09Å; L310-P338 HydrophobicContact CD2-CG 3.81Å; P338-V343 HydrophobicContact CB-CG2 3.6Å |
| 339 | D | 85 | Confident | 87.9 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -64 | 132.4 | 178 | 177.6 | 77.7 | 0 | 0 | 0 | 110.7 | M341 E342 V343 | D339-M341 PolarHBondContact O-N 3.08Å; D339-M341 VanDerWaalsContact O-N 3.08Å; D339-M341 WeakPolarHBondContact OD2-CA 3.35Å; D339-M341 WeakPolarHBondContact OD2-CB 3.47Å; D339-M341 PolarHBondContact OD2-N 3.49Å; D339-E342 HydrophobicContact CB-CB 4.25Å; D339-E342 WeakPolarHBondContact O-CB 3.39Å; D339-E342 PolarHBondContact O-N 2.53Å; D339-E342 PolarHBondContact OD2-N 2.85Å; D339-V343 WeakPolarHBondContact O-CG2 3.46Å; D339-V343 PolarHBondContact O-N 3.01Å |
| 340 | P | 83.3 | Confident | 87.4 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -53 | -33.5 | -178.8 | -30.8 | 36.9 | 0 | 0 | 0 | 114.7 | P189 H344 | P189-P340 HydrophobicContact CB-CB 3.75Å; P189-P340 HydrophobicContact CG-CB 4.24Å; P340-H344 VanDerWaalsContact O-CB 3.29Å; P340-H344 WeakPolarHBondContact O-CB 3.48Å; P340-H344 PolarHBondContact O-N 3.26Å |
| 341 | M | 84.7 | Confident | 86.8 | Confident | 78 Ų | 78 | 66.9 Ų | 66.9 | 38% | 0.384 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.4 | -37.8 | 178 | -166.4 | 62.2 | 67.7 | 0 | 0 | 112 | P189 D339 T345 | P189-M341 HydrophobicContact CG-CB 4.48Å; P189-M341 HydrophobicContact CG-CE 3.87Å; P189-M341 HydrophobicContact CG-SD 3.99Å; D339-M341 PolarHBondContact O-N 3.08Å; D339-M341 VanDerWaalsContact O-N 3.08Å; D339-M341 WeakPolarHBondContact OD2-CA 3.35Å; D339-M341 WeakPolarHBondContact OD2-CB 3.47Å; D339-M341 PolarHBondContact OD2-N 3.49Å; M341-T345 WeakPolarHBondContact O-CB 3.45Å; M341-T345 PolarHBondContact O-N 3.07Å; M341-T345 PolarHBondContact O-OG1 3.25Å |
| 342 | E | 86.6 | Confident | 86.5 | Confident | 102 Ų | 102 | 65.8 Ų | 65.8 | 48% | 0.477 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 172.3 | -171.7 | -169.8 | 159.5 | 0 | 0 | 110.6 | D339 H344 T345 R346 | D339-E342 HydrophobicContact CB-CB 4.25Å; D339-E342 WeakPolarHBondContact O-CB 3.39Å; D339-E342 PolarHBondContact O-N 2.53Å; D339-E342 PolarHBondContact OD2-N 2.85Å; E342-H344 PolarHBondContact O-N 2.92Å; E342-T345 PolarHBondContact O-N 2.71Å; E342-T345 VanDerWaalsContact O-N 3.16Å; E342-R346 PolarHBondContact O-N 2.89Å |
| 343 | V | 85.9 | Confident | 86.5 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -53.7 | -55.3 | 175.9 | 175 | 0 | 0 | 0 | 0 | 109.7 | I290 L310 P338 D339 T345 R346 I347 | I290-V343 WeakPolarHBondContact O-CG1 3.3Å; L310-V343 HydrophobicContact CD1-CG1 4.43Å; L310-V343 HydrophobicContact CD2-CG2 3.8Å; P338-V343 HydrophobicContact CB-CG2 3.6Å; D339-V343 WeakPolarHBondContact O-CG2 3.46Å; D339-V343 PolarHBondContact O-N 3.01Å; V343-T345 VanDerWaalsContact C-N 3.29Å; V343-T345 PolarHBondContact O-N 3.02Å; V343-R346 PolarHBondContact O-N 3.34Å; V343-I347 HydrophobicContact CB-CD1 4.45Å; V343-I347 HydrophobicContact CG1-CD1 3.36Å; V343-I347 HydrophobicContact CG1-CG1 4.46Å; V343-I347 WeakPolarHBondContact O-CD1 3.38Å; V343-I347 WeakPolarHBondContact O-CG1 3.39Å; V343-I347 PolarHBondContact O-N 2.97Å |
| 344 | H | 85 | Confident | 86.6 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.06 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.9 | -42.8 | 177.9 | 177.5 | 77.9 | 0 | 0 | 0 | 113.2 | P184 P189 P340 E342 I347 R348 | P184-H344 PolarHBondContact O-CE1 3.02Å; P184-H344 VanDerWaalsContact O-CE1 3.23Å; P189-H344 HydrophobicContact CG-CB 3.92Å; P340-H344 VanDerWaalsContact O-CB 3.29Å; P340-H344 WeakPolarHBondContact O-CB 3.48Å; P340-H344 PolarHBondContact O-N 3.26Å; E342-H344 PolarHBondContact O-N 2.92Å; H344-I347 PolarHBondContact O-N 2.75Å; H344-R348 WeakPolarHBondContact O-CB 3.4Å; H344-R348 PolarHBondContact O-N 2.86Å |
| 345 | T | 86.8 | Confident | 86.6 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | -179 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | M341 E342 V343 R348 Q349 | M341-T345 WeakPolarHBondContact O-CB 3.45Å; M341-T345 PolarHBondContact O-N 3.07Å; M341-T345 PolarHBondContact O-OG1 3.25Å; E342-T345 PolarHBondContact O-N 2.71Å; E342-T345 VanDerWaalsContact O-N 3.16Å; V343-T345 VanDerWaalsContact C-N 3.29Å; V343-T345 PolarHBondContact O-N 3.02Å; T345-R348 PolarHBondContact O-N 3.1Å; T345-Q349 PolarHBondContact O-N 3.41Å |
| 346 | R | 87.5 | Confident | 86.8 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.5 | -74.1 | 174.3 | 62.6 | -172 | -7.7 | 111.6 | D309 E342 V343 R348 Q349 M350 | D309-R346 IonicContact OD1-CZ 3.86Å; D309-R346 IonicContact OD1-NH2 3.83Å; D309-R346 PolarHBondContact OD1-NH2 2.8Å; D309-R346 IonicContact OD2-CZ 2.81Å; D309-R346 VanDerWaalsContact OD2-CZ 3.31Å; D309-R346 IonicContact OD2-NH1 3.94Å; D309-R346 PolarHBondContact OD2-NH1 3.21Å; D309-R346 IonicContact OD2-NH2 2.56Å; D309-R346 PolarHBondContact OD2-NH2 3.45Å; D309-R346 VanDerWaalsContact OD2-NH2 3.09Å; E342-R346 PolarHBondContact O-N 2.89Å; V343-R346 PolarHBondContact O-N 3.34Å; R346-R348 PolarHBondContact O-N 2.97Å; R346-Q349 WeakPolarHBondContact O-CB 3.37Å; R346-Q349 PolarHBondContact O-N 3.08Å; R346-Q349 VanDerWaalsContact O-N 3.16Å; R346-M350 HydrophobicContact CB-CE 3.94Å; R346-M350 WeakPolarHBondContact O-CG 3.39Å; R346-M350 PolarHBondContact O-N 3.11Å; R346-M350 VanDerWaalsContact O-N 3.16Å |
| 347 | I | 83.7 | Confident | 86.9 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.6 | -40.1 | -178.3 | -67.3 | 156.1 | 0 | 0 | 0 | 111.8 | L182 I290 L306 V343 H344 Q349 M350 Y351 | L182-I347 HydrophobicContact CD1-CG2 3.92Å; L182-I347 HydrophobicContact CD2-CG2 3.49Å; L182-I347 VanDerWaalsContact CD2-CG2 3.49Å; L182-I347 HydrophobicContact CG-CG2 4.25Å; I290-I347 HydrophobicContact CB-CD1 3.55Å; I290-I347 HydrophobicContact CB-CG1 4.25Å; I290-I347 HydrophobicContact CB-CG2 3.95Å; I290-I347 HydrophobicContact CD1-CG2 4.24Å; I290-I347 HydrophobicContact CG1-CG2 4.47Å; I290-I347 HydrophobicContact CG2-CB 4.42Å; I290-I347 HydrophobicContact CG2-CD1 3.12Å; I290-I347 HydrophobicContact CG2-CG1 3.57Å; I290-I347 HydrophobicContact CG2-CG2 3.98Å; I290-I347 WeakPolarHBondContact O-CD1 3.45Å; L306-I347 HydrophobicContact CD2-CG1 4.31Å; V343-I347 HydrophobicContact CB-CD1 4.45Å; V343-I347 HydrophobicContact CG1-CD1 3.36Å; V343-I347 HydrophobicContact CG1-CG1 4.46Å; V343-I347 WeakPolarHBondContact O-CD1 3.38Å; V343-I347 WeakPolarHBondContact O-CG1 3.39Å; V343-I347 PolarHBondContact O-N 2.97Å; H344-I347 PolarHBondContact O-N 2.75Å; I347-Q349 PolarHBondContact O-N 2.84Å; I347-M350 PolarHBondContact O-N 2.96Å; I347-M350 VanDerWaalsContact O-N 3.08Å; I347-Y351 HydrophobicContact CG2-CD2 4.18Å; I347-Y351 PolarHBondContact O-N 2.86Å; I347-Y351 VanDerWaalsContact O-N 3.09Å |
| 348 | R | 83.3 | Confident | 87.2 | Confident | 120 Ų | 120 | 55.8 Ų | 55.8 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.9 | -31.9 | 175.6 | 175.2 | 168.1 | -160.5 | 120.7 | 7.4 | 112.1 | P184 D185 H344 T345 R346 | P184-R348 HydrophobicContact CB-CB 4Å; P184-R348 HydrophobicContact CB-CG 4.21Å; P184-R348 HydrophobicContact CG-CB 4.17Å; P184-R348 HydrophobicContact CG-CG 3.86Å; D185-R348 IonicContact OD1-CZ 3.27Å; D185-R348 IonicContact OD1-NH1 3.79Å; D185-R348 PolarHBondContact OD1-NH1 3.09Å; D185-R348 IonicContact OD1-NH2 3.59Å; D185-R348 PolarHBondContact OD1-NH2 2.85Å; H344-R348 WeakPolarHBondContact O-CB 3.4Å; H344-R348 PolarHBondContact O-N 2.86Å; T345-R348 PolarHBondContact O-N 3.1Å; R346-R348 PolarHBondContact O-N 2.97Å |
| 349 | Q | 83.9 | Confident | 87.6 | Confident | 156 Ų | 156 | 58.5 Ų | 58.5 | 73% | 0.729 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -82.3 | -33 | 177.2 | -65.3 | 175.6 | -16.9 | 0 | 0 | 112.8 | T345 R346 I347 | T345-Q349 PolarHBondContact O-N 3.41Å; R346-Q349 WeakPolarHBondContact O-CB 3.37Å; R346-Q349 PolarHBondContact O-N 3.08Å; R346-Q349 VanDerWaalsContact O-N 3.16Å; I347-Q349 PolarHBondContact O-N 2.84Å |
| 350 | M | 85 | Confident | 88.1 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -75 | -35.2 | -177.7 | -67.4 | 169.5 | -166.6 | 0 | 0 | 113.5 | P307 R346 I347 | P307-M350 HydrophobicContact CG-CE 3.78Å; P307-M350 HydrophobicContact CG-SD 4.24Å; R346-M350 HydrophobicContact CB-CE 3.94Å; R346-M350 WeakPolarHBondContact O-CG 3.39Å; R346-M350 PolarHBondContact O-N 3.11Å; R346-M350 VanDerWaalsContact O-N 3.16Å; I347-M350 PolarHBondContact O-N 2.96Å; I347-M350 VanDerWaalsContact O-N 3.08Å |
| 351 | Y | 81.5 | Confident | 88.6 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 11% | 0.106 | 26% | 0.257 | C | S | . | . | trans | -125.4 | 72 | -165.2 | -70 | -66.4 | 0 | 0 | 0 | 112.8 | P179 N180 L182 V305 I347 | P179-Y351 HydrophobicContact CB-CE1 4.29Å; N180-Y351 WeakPolarHBondContact O-CD1 3.35Å; L182-Y351 HydrophobicContact CD2-CD2 3.78Å; L182-Y351 HydrophobicContact CD2-CG 3.82Å; L182-Y351 HydrophobicContact CG-CG 4.46Å; L182-Y351 PolarHBondContact N-O 3.18Å; V305-Y351 WeakPolarHBondContact CA-OH 3.43Å; V305-Y351 WeakPolarHBondContact O-CE2 3.38Å; V305-Y351 VanDerWaalsContact O-CZ 3.3Å; V305-Y351 PolarHBondContact O-OH 2.81Å; I347-Y351 HydrophobicContact CG2-CD2 4.18Å; I347-Y351 PolarHBondContact O-N 2.86Å; I347-Y351 VanDerWaalsContact O-N 3.09Å | ||
| 352 | S | 86.6 | Confident | 89.1 | Confident | 42 Ų | 42 | 55 Ų | 55 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | trans | -99.9 | 132.8 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | A181 S354 D355 V356 | A181-S352 WeakPolarHBondContact CB-O 3.22Å; S352-S354 PolarHBondContact O-N 3.01Å; S352-S354 PolarHBondContact OG-N 2.87Å; S352-S354 PolarHBondContact OG-OG 3Å; S352-D355 PolarHBondContact O-N 3.49Å; S352-V356 WeakPolarHBondContact O-CG2 3.3Å; S352-V356 PolarHBondContact O-N 3.25Å | ||
| 353 | W | 90.6 | Very high | 89.5 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -21.9 | 171.8 | -78.7 | 117.2 | 0 | 0 | 0 | 113.9 | H30 H33 L34 A181 Y287 V356 A357 | H30-W353 VanDerWaalsContact CA-CH2 3.46Å; H30-W353 HydrophobicContact CB-CH2 3.88Å; H30-W353 AromaticContact CG-CH2 3.9Å; H30-W353 AromaticContact ND1-CH2 3.64Å; H30-W353 AromaticContact ND1-CZ3 3.84Å; H33-W353 HydrophobicContact CB-CD2 3.45Å; H33-W353 VanDerWaalsContact CB-CD2 3.45Å; H33-W353 HydrophobicContact CB-CE3 4Å; H33-W353 HydrophobicContact CB-CG 3.79Å; H33-W353 HydrophobicContact CB-CH2 4.16Å; H33-W353 HydrophobicContact CB-CZ2 3.51Å; H33-W353 HydrophobicContact CB-CZ3 4.36Å; H33-W353 AromaticContact CD2-CE2 3.82Å; H33-W353 AromaticContact CD2-CZ2 3.83Å; H33-W353 AromaticContact CD2-NE1 3.57Å; H33-W353 AromaticContact CG-CD1 3.96Å; H33-W353 AromaticContact CG-CE2 3.67Å; H33-W353 AromaticContact CG-CZ2 3.98Å; H33-W353 AromaticContact CG-NE1 3.46Å; L34-W353 HydrophobicContact CB-CZ3 4.26Å; A181-W353 HydrophobicContact CB-CB 4.42Å; A181-W353 HydrophobicContact CB-CD2 3.7Å; A181-W353 HydrophobicContact CB-CE3 3.95Å; A181-W353 HydrophobicContact CB-CG 3.91Å; A181-W353 HydrophobicContact CB-CZ3 4.49Å; A181-W353 WeakPolarHBondContact O-CZ2 3.42Å; A181-W353 PolarHBondContact O-NE1 3.45Å; Y287-W353 HydrophobicContact CE1-CZ2 4.21Å; Y287-W353 AromaticContact CZ-CZ2 3.84Å; Y287-W353 WeakPolarHBondContact OH-CH2 3.01Å; Y287-W353 WeakPolarHBondContact OH-CZ2 3.47Å; W353-V356 HydrophobicContact CE3-CB 4.12Å; W353-V356 HydrophobicContact CE3-CG1 4.01Å; W353-V356 HydrophobicContact CZ3-CB 4.5Å; W353-V356 HydrophobicContact CZ3-CG1 3.94Å; W353-A357 VanDerWaalsContact O-CB 3.32Å; W353-A357 WeakPolarHBondContact O-CB 3.46Å; W353-A357 PolarHBondContact O-N 2.84Å |
| 354 | S | 91.6 | Very high | 89.9 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 42% | 0.42 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.2 | -47 | 172.5 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | S352 V356 A357 E358 | S352-S354 PolarHBondContact O-N 3.01Å; S352-S354 PolarHBondContact OG-N 2.87Å; S352-S354 PolarHBondContact OG-OG 3Å; S354-V356 PolarHBondContact O-N 3.38Å; S354-A357 PolarHBondContact O-N 3.21Å; S354-A357 VanDerWaalsContact O-N 3.16Å; S354-E358 WeakPolarHBondContact O-CG 3.15Å; S354-E358 PolarHBondContact O-N 2.85Å |
| 355 | D | 92.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 34% | 0.342 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 175.8 | 175.7 | 73.9 | 0 | 0 | 0 | 111.1 | S352 A357 E358 R359 | S352-D355 PolarHBondContact O-N 3.49Å; D355-A357 VanDerWaalsContact C-N 3.28Å; D355-A357 PolarHBondContact O-N 2.87Å; D355-E358 PolarHBondContact O-N 2.95Å; D355-R359 WeakPolarHBondContact O-CB 3.36Å; D355-R359 VanDerWaalsContact O-CG 3.3Å; D355-R359 WeakPolarHBondContact O-CG 3.3Å; D355-R359 PolarHBondContact O-N 2.89Å; D355-R359 WeakPolarHBondContact OD2-CD 3.22Å; D355-R359 IonicContact OD2-NH1 3.29Å; D355-R359 PolarHBondContact OD2-NH1 3.35Å |
| 356 | V | 92.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 111 | L34 I178 P179 A181 S352 W353 S354 T360 | L34-V356 HydrophobicContact CD1-CG1 4.34Å; I178-V356 HydrophobicContact CG2-CB 4.37Å; I178-V356 HydrophobicContact CG2-CG1 3.93Å; I178-V356 HydrophobicContact CG2-CG2 4.23Å; P179-V356 VanDerWaalsContact O-CG2 3.32Å; P179-V356 WeakPolarHBondContact O-CG2 3.21Å; A181-V356 HydrophobicContact CB-CB 4.3Å; A181-V356 HydrophobicContact CB-CG2 3.51Å; S352-V356 WeakPolarHBondContact O-CG2 3.3Å; S352-V356 PolarHBondContact O-N 3.25Å; W353-V356 HydrophobicContact CE3-CB 4.12Å; W353-V356 HydrophobicContact CE3-CG1 4.01Å; W353-V356 HydrophobicContact CZ3-CB 4.5Å; W353-V356 HydrophobicContact CZ3-CG1 3.94Å; S354-V356 PolarHBondContact O-N 3.38Å; V356-T360 VanDerWaalsContact O-CB 3.22Å; V356-T360 WeakPolarHBondContact O-CB 3.45Å; V356-T360 PolarHBondContact O-N 3.09Å; V356-T360 PolarHBondContact O-OG1 3.37Å |
| 357 | A | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L34 C37 L38 L41 W353 S354 D355 T360 E361 | L34-A357 HydrophobicContact CD1-CB 4.07Å; C37-A357 HydrophobicContact CB-CB 3.47Å; C37-A357 VanDerWaalsContact CB-CB 3.47Å; L38-A357 HydrophobicContact CD2-CB 4.21Å; L38-A357 HydrophobicContact CG-CB 4.18Å; L41-A357 HydrophobicContact CD1-CB 4.06Å; W353-A357 VanDerWaalsContact O-CB 3.32Å; W353-A357 WeakPolarHBondContact O-CB 3.46Å; W353-A357 PolarHBondContact O-N 2.84Å; S354-A357 PolarHBondContact O-N 3.21Å; S354-A357 VanDerWaalsContact O-N 3.16Å; D355-A357 VanDerWaalsContact C-N 3.28Å; D355-A357 PolarHBondContact O-N 2.87Å; A357-T360 PolarHBondContact O-N 3.35Å; A357-E361 WeakPolarHBondContact O-CB 3.41Å; A357-E361 PolarHBondContact O-N 3.39Å |
| 358 | E | 94.7 | Very high | 91.1 | Very high | 92 Ų | 92 | 49.6 Ų | 49.6 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 177.3 | -71.8 | 172.2 | -160 | 0 | 0 | 111.7 | L41 S354 D355 T360 E361 H362 | L41-E358 HydrophobicContact CD1-CG 4.14Å; L41-E358 HydrophobicContact CD2-CG 4.34Å; S354-E358 WeakPolarHBondContact O-CG 3.15Å; S354-E358 PolarHBondContact O-N 2.85Å; D355-E358 PolarHBondContact O-N 2.95Å; E358-T360 VanDerWaalsContact C-N 3.28Å; E358-T360 PolarHBondContact O-N 2.86Å; E358-E361 WeakPolarHBondContact O-CB 3.48Å; E358-E361 PolarHBondContact O-N 3.17Å; E358-H362 PolarHBondContact O-CD2 3.01Å; E358-H362 PolarHBondContact O-N 2.96Å |
| 359 | R | 95.8 | Very high | 91.4 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 34% | 0.343 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -38.2 | 175.9 | -69.6 | 171.1 | 64.8 | 175.4 | 2.5 | 112 | V177 I178 D355 H362 V363 | V177-R359 PolarHBondContact O-NH2 3.31Å; I178-R359 HydrophobicContact CD1-CB 3.93Å; I178-R359 HydrophobicContact CG1-CB 4.34Å; I178-R359 HydrophobicContact CG2-CB 4.34Å; D355-R359 WeakPolarHBondContact O-CB 3.36Å; D355-R359 VanDerWaalsContact O-CG 3.3Å; D355-R359 WeakPolarHBondContact O-CG 3.3Å; D355-R359 PolarHBondContact O-N 2.89Å; D355-R359 WeakPolarHBondContact OD2-CD 3.22Å; D355-R359 IonicContact OD2-NH1 3.29Å; D355-R359 PolarHBondContact OD2-NH1 3.35Å; R359-H362 PolarHBondContact O-N 2.95Å; R359-V363 WeakPolarHBondContact O-CG2 3.37Å; R359-V363 PolarHBondContact O-N 3.23Å |
| 360 | T | 94.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.7 | -38.3 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 111 | L34 I154 V356 A357 E358 H362 V363 Y364 | L34-T360 HydrophobicContact CD1-CG2 4.44Å; L34-T360 HydrophobicContact CD2-CG2 4.3Å; I154-T360 HydrophobicContact CD1-CG2 3.73Å; V356-T360 VanDerWaalsContact O-CB 3.22Å; V356-T360 WeakPolarHBondContact O-CB 3.45Å; V356-T360 PolarHBondContact O-N 3.09Å; V356-T360 PolarHBondContact O-OG1 3.37Å; A357-T360 PolarHBondContact O-N 3.35Å; E358-T360 VanDerWaalsContact C-N 3.28Å; E358-T360 PolarHBondContact O-N 2.86Å; T360-H362 VanDerWaalsContact C-N 3.32Å; T360-H362 PolarHBondContact O-N 3.45Å; T360-V363 WeakPolarHBondContact O-CA 3.24Å; T360-V363 WeakPolarHBondContact O-CB 3.37Å; T360-V363 PolarHBondContact O-N 2.76Å; T360-Y364 HydrophobicContact CG2-CE1 3.75Å; T360-Y364 HydrophobicContact CG2-CE2 3.91Å; T360-Y364 WeakPolarHBondContact CG2-OH 3.27Å; T360-Y364 PolarHBondContact O-N 2.91Å |
| 361 | E | 94.3 | Very high | 90.6 | Very high | 32 Ų | 32 | 50 Ų | 50 | 15% | 0.15 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 173.5 | -175.3 | -169.8 | -122.6 | 0 | 0 | 111.6 | L38 H43 A357 E358 V363 Y364 F365 | L38-E361 HydrophobicContact CD2-CB 4.34Å; H43-E361 IonicContact CD2-OE1 3.67Å; H43-E361 IonicContact CE1-OE1 3.75Å; H43-E361 IonicContact NE2-OE1 3.75Å; H43-E361 PolarHBondContact NE2-OE1 2.84Å; A357-E361 WeakPolarHBondContact O-CB 3.41Å; A357-E361 PolarHBondContact O-N 3.39Å; E358-E361 WeakPolarHBondContact O-CB 3.48Å; E358-E361 PolarHBondContact O-N 3.17Å; E361-V363 VanDerWaalsContact C-N 3.28Å; E361-V363 PolarHBondContact O-N 3.17Å; E361-Y364 WeakPolarHBondContact O-CA 3.36Å; E361-Y364 WeakPolarHBondContact O-CB 3.39Å; E361-Y364 PolarHBondContact O-N 3.25Å; E361-F365 HydrophobicContact CG-CD2 4.09Å; E361-F365 HydrophobicContact CG-CE2 3.44Å; E361-F365 VanDerWaalsContact CG-CE2 3.44Å; E361-F365 HydrophobicContact CG-CZ 3.7Å; E361-F365 WeakPolarHBondContact O-CD2 3.24Å; E361-F365 PolarHBondContact O-N 3.35Å |
| 362 | H | 95.3 | Very high | 89.9 | Confident | 114 Ų | 114 | 51.6 Ų | 51.6 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58 | -40.3 | 172.8 | -74.2 | -60.2 | 0 | 0 | 0 | 112.9 | E358 R359 T360 Y364 F365 D366 | E358-H362 PolarHBondContact O-CD2 3.01Å; E358-H362 PolarHBondContact O-N 2.96Å; R359-H362 PolarHBondContact O-N 2.95Å; T360-H362 VanDerWaalsContact C-N 3.32Å; T360-H362 PolarHBondContact O-N 3.45Å; H362-Y364 VanDerWaalsContact C-N 3.3Å; H362-Y364 PolarHBondContact O-N 2.87Å; H362-F365 PolarHBondContact O-N 3.46Å; H362-D366 PolarHBondContact O-N 3.26Å |
| 363 | V | 95 | Very high | 88.8 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | V122 L152 I154 Y176 I178 R359 T360 E361 D366 A367 | V122-V363 HydrophobicContact CG1-CG1 4.13Å; V122-V363 HydrophobicContact CG2-CG1 4.37Å; L152-V363 HydrophobicContact CB-CG1 3.99Å; L152-V363 HydrophobicContact CD1-CG1 3.77Å; L152-V363 WeakPolarHBondContact CD1-O 3.31Å; I154-V363 HydrophobicContact CD1-CB 4.27Å; I154-V363 HydrophobicContact CD1-CG1 4.06Å; I154-V363 HydrophobicContact CD1-CG2 4.36Å; I154-V363 HydrophobicContact CG1-CG1 4.01Å; I154-V363 HydrophobicContact CG1-CG2 4.34Å; Y176-V363 HydrophobicContact CD1-CG2 3.65Å; Y176-V363 HydrophobicContact CD2-CG1 4.2Å; Y176-V363 HydrophobicContact CD2-CG2 4.11Å; Y176-V363 HydrophobicContact CE1-CG2 4.08Å; Y176-V363 HydrophobicContact CE2-CG1 4.5Å; Y176-V363 HydrophobicContact CG-CG2 3.65Å; I178-V363 HydrophobicContact CD1-CG2 3.94Å; R359-V363 WeakPolarHBondContact O-CG2 3.37Å; R359-V363 PolarHBondContact O-N 3.23Å; T360-V363 WeakPolarHBondContact O-CA 3.24Å; T360-V363 WeakPolarHBondContact O-CB 3.37Å; T360-V363 PolarHBondContact O-N 2.76Å; E361-V363 VanDerWaalsContact C-N 3.28Å; E361-V363 PolarHBondContact O-N 3.17Å; V363-D366 PolarHBondContact O-N 3.39Å; V363-A367 WeakPolarHBondContact O-CB 3.43Å; V363-A367 PolarHBondContact O-N 2.97Å |
| 364 | Y | 93.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 175 | -59 | -30.1 | 0 | 0 | 0 | 112.2 | E13 F15 L38 L102 H104 V122 T360 E361 H362 D366 A367 L368 | E13-Y364 WeakPolarHBondContact OE1-CB 3.35Å; E13-Y364 WeakPolarHBondContact OE1-CD2 3.41Å; E13-Y364 WeakPolarHBondContact OE2-CD2 3.13Å; E13-Y364 WeakPolarHBondContact OE2-CE2 3.38Å; F15-Y364 HydrophobicContact CE1-CE2 4.41Å; F15-Y364 AromaticContact CE1-CZ 3.83Å; F15-Y364 WeakPolarHBondContact CE1-OH 3.39Å; F15-Y364 HydrophobicContact CE2-CE2 4.49Å; F15-Y364 AromaticContact CZ-CE2 3.62Å; F15-Y364 HydrophobicContact CZ-CE2 3.62Å; F15-Y364 AromaticContact CZ-CZ 3.47Å; F15-Y364 VanDerWaalsContact CZ-CZ 3.47Å; F15-Y364 WeakPolarHBondContact CZ-OH 3.48Å; L38-Y364 HydrophobicContact CD1-CE2 4.01Å; L38-Y364 HydrophobicContact CD2-CE2 4Å; L102-Y364 HydrophobicContact CD1-CD1 3.83Å; L102-Y364 HydrophobicContact CD1-CG 4.02Å; L102-Y364 HydrophobicContact CD2-CD1 3.57Å; L102-Y364 HydrophobicContact CD2-CE1 3.84Å; L102-Y364 HydrophobicContact CD2-CG 4.1Å; L102-Y364 HydrophobicContact CG-CD1 4.38Å; H104-Y364 HydrophobicContact CB-CE1 4.15Å; H104-Y364 AromaticContact ND1-CE1 3.47Å; H104-Y364 WeakPolarHBondContact ND1-CE1 3.47Å; H104-Y364 AromaticContact ND1-CZ 3.51Å; H104-Y364 PolarHBondContact ND1-OH 3.05Å; V122-Y364 HydrophobicContact CB-CD1 4.29Å; V122-Y364 HydrophobicContact CB-CE1 4.17Å; V122-Y364 HydrophobicContact CG1-CE1 4.24Å; V122-Y364 HydrophobicContact CG2-CD1 3.87Å; V122-Y364 HydrophobicContact CG2-CE1 4.26Å; T360-Y364 HydrophobicContact CG2-CE1 3.75Å; T360-Y364 HydrophobicContact CG2-CE2 3.91Å; T360-Y364 WeakPolarHBondContact CG2-OH 3.27Å; T360-Y364 PolarHBondContact O-N 2.91Å; E361-Y364 WeakPolarHBondContact O-CA 3.36Å; E361-Y364 WeakPolarHBondContact O-CB 3.39Å; E361-Y364 PolarHBondContact O-N 3.25Å; H362-Y364 VanDerWaalsContact C-N 3.3Å; H362-Y364 PolarHBondContact O-N 2.87Å; Y364-D366 PolarHBondContact O-N 3.01Å; Y364-A367 WeakPolarHBondContact O-CB 3.25Å; Y364-A367 PolarHBondContact O-N 2.88Å; Y364-L368 WeakPolarHBondContact O-CG 3.42Å; Y364-L368 PolarHBondContact O-N 3.31Å |
| 365 | F | 93.4 | Very high | 87.4 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -34.3 | 176.3 | -64.9 | -40.3 | 0 | 0 | 0 | 112.5 | F9 E361 H362 L368 K369 | F9-F365 HydrophobicContact CB-CE1 4.16Å; F9-F365 HydrophobicContact CD1-CD1 4.06Å; F9-F365 HydrophobicContact CD1-CE1 4.08Å; F9-F365 HydrophobicContact CE1-CD1 4.5Å; F9-F365 HydrophobicContact CG-CE1 4.32Å; E361-F365 HydrophobicContact CG-CD2 4.09Å; E361-F365 HydrophobicContact CG-CE2 3.44Å; E361-F365 VanDerWaalsContact CG-CE2 3.44Å; E361-F365 HydrophobicContact CG-CZ 3.7Å; E361-F365 WeakPolarHBondContact O-CD2 3.24Å; E361-F365 PolarHBondContact O-N 3.35Å; H362-F365 PolarHBondContact O-N 3.46Å; F365-L368 HydrophobicContact CD1-CD1 4.3Å; F365-K369 WeakPolarHBondContact O-CE 3.44Å; F365-K369 WeakPolarHBondContact O-CG 3.45Å |
| 366 | D | 93.9 | Very high | 86.8 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.7 | -36.1 | 173.4 | -75.4 | -12.4 | 0 | 0 | 0 | 112.7 | L152 Y176 H362 V363 Y364 K369 R370 | L152-D366 HydrophobicContact CD1-CB 3.8Å; Y176-D366 PolarHBondContact OH-OD2 2.91Å; H362-D366 PolarHBondContact O-N 3.26Å; V363-D366 PolarHBondContact O-N 3.39Å; Y364-D366 PolarHBondContact O-N 3.01Å; D366-K369 PolarHBondContact O-N 2.84Å; D366-K369 IonicContact OD1-NZ 2.62Å; D366-K369 PolarHBondContact OD1-NZ 3.24Å; D366-R370 WeakPolarHBondContact O-CG 3.17Å |
| 367 | A | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L102 H120 V122 D151 L152 V363 Y364 K369 R370 | L102-A367 HydrophobicContact CD1-CB 4.05Å; H120-A367 PolarHBondContact ND1-O 3.1Å; V122-A367 HydrophobicContact CG2-CB 3.71Å; D151-A367 HydrophobicContact CB-CB 4.27Å; L152-A367 HydrophobicContact CD1-CB 3.94Å; L152-A367 HydrophobicContact CG-CB 4.3Å; V363-A367 WeakPolarHBondContact O-CB 3.43Å; V363-A367 PolarHBondContact O-N 2.97Å; Y364-A367 WeakPolarHBondContact O-CB 3.25Å; Y364-A367 PolarHBondContact O-N 2.88Å; A367-K369 PolarHBondContact O-N 3.18Å; A367-K369 VanDerWaalsContact O-N 3.15Å; A367-R370 PolarHBondContact O-N 2.98Å |
| 368 | L | 89.8 | Confident | 85.4 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -20.8 | 177.8 | -68 | 177.6 | 0 | 0 | 0 | 113.3 | L102 H120 Y364 F365 | L102-L368 HydrophobicContact CB-CD2 4.47Å; L102-L368 HydrophobicContact CD1-CD2 4.34Å; L102-L368 HydrophobicContact CD1-CG 4.41Å; H120-L368 HydrophobicContact CB-CD2 4.08Å; H120-L368 VanDerWaalsContact CD2-CD2 3.43Å; H120-L368 WeakPolarHBondContact CD2-CD2 3.39Å; Y364-L368 WeakPolarHBondContact O-CG 3.42Å; Y364-L368 PolarHBondContact O-N 3.31Å; F365-L368 HydrophobicContact CD1-CD1 4.3Å |
| 369 | K | 89.2 | Confident | 84.8 | Confident | 141 Ų | 141 | 62.3 Ų | 62.3 | 61% | 0.613 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.3 | 176.8 | -63.1 | 165.3 | -161.2 | 159.2 | 0 | 113.3 | F365 D366 A367 | F365-K369 WeakPolarHBondContact O-CE 3.44Å; F365-K369 WeakPolarHBondContact O-CG 3.45Å; D366-K369 PolarHBondContact O-N 2.84Å; D366-K369 IonicContact OD1-NZ 2.62Å; D366-K369 PolarHBondContact OD1-NZ 3.24Å; A367-K369 PolarHBondContact O-N 3.18Å; A367-K369 VanDerWaalsContact O-N 3.15Å |
| 370 | R | 83.1 | Confident | 84.3 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | trans | -94.3 | 130 | -174 | -55.2 | -164.7 | 92.4 | 118.9 | 7.4 | 112.1 | H120 D366 A367 | H120-R370 PolarHBondContact CE1-O 3.26Å; H120-R370 PolarHBondContact ND1-O 3.21Å; D366-R370 WeakPolarHBondContact O-CG 3.17Å; A367-R370 PolarHBondContact O-N 2.98Å | ||
| 371 | I | 68.9 | Low | 83.9 | Confident | 154 Ų | 154 | 72.4 Ų | 72.4 | 79% | 0.79 | 35% | 0.345 | S | S | * | . | trans | -116.3 | 9.8 | -178.4 | -53.3 | 176 | 0 | 0 | 0 | 112.2 | ||||
| 372 | D | 66.8 | Low | 83.5 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 33% | 0.326 | 35% | 0.346 | S | S | . | . | trans | -87.1 | 135.3 | -166.5 | -89.7 | -58.1 | 0 | 0 | 0 | 115.9 | R374 | D372-R374 HydrophobicContact CB-CG 4.31Å; D372-R374 VanDerWaalsContact CG-NH2 3.3Å; D372-R374 IonicContact OD1-CZ 3.51Å; D372-R374 IonicContact OD1-NE 2.91Å; D372-R374 PolarHBondContact OD1-NE 3.35Å; D372-R374 IonicContact OD1-NH2 3.28Å; D372-R374 PolarHBondContact OD1-NH2 2.89Å; D372-R374 IonicContact OD2-CZ 3.4Å; D372-R374 IonicContact OD2-NE 3.37Å; D372-R374 PolarHBondContact OD2-NE 3.09Å; D372-R374 IonicContact OD2-NH2 2.69Å; D372-R374 PolarHBondContact OD2-NH2 2.81Å | ||
| 373 | F | 64.9 | Low | 83 | Confident | 106 Ų | 106 | 67.4 Ų | 67.4 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | trans | -114.5 | 113.5 | 159.9 | -70.4 | -88.5 | 0 | 0 | 0 | 109.2 | K115 M116 Y375 | K115-F373 HydrophobicContact CD-CE1 4.17Å; K115-F373 HydrophobicContact CD-CZ 4.37Å; K115-F373 HydrophobicContact CG-CE1 3.79Å; K115-F373 HydrophobicContact CG-CZ 4.3Å; M116-F373 HydrophobicContact CE-CE1 4.01Å; F373-Y375 HydrophobicContact CD1-CE2 4.33Å | ||
| 374 | R | 69.3 | Low | 82.7 | Confident | 108 Ų | 108 | 70.5 Ų | 70.5 | 41% | 0.408 | 34% | 0.337 | S | S | . | . | trans | -135.5 | 55.4 | -176.6 | -58.3 | -168.7 | -157.8 | -179.3 | 7.3 | 113.1 | D372 L376 Q377 | D372-R374 HydrophobicContact CB-CG 4.31Å; D372-R374 VanDerWaalsContact CG-NH2 3.3Å; D372-R374 IonicContact OD1-CZ 3.51Å; D372-R374 IonicContact OD1-NE 2.91Å; D372-R374 PolarHBondContact OD1-NE 3.35Å; D372-R374 IonicContact OD1-NH2 3.28Å; D372-R374 PolarHBondContact OD1-NH2 2.89Å; D372-R374 IonicContact OD2-CZ 3.4Å; D372-R374 IonicContact OD2-NE 3.37Å; D372-R374 PolarHBondContact OD2-NE 3.09Å; D372-R374 IonicContact OD2-NH2 2.69Å; D372-R374 PolarHBondContact OD2-NH2 2.81Å; R374-L376 VanDerWaalsContact C-N 3.34Å; R374-L376 PolarHBondContact O-N 3.44Å; R374-Q377 HydrophobicContact CB-CB 4.49Å; R374-Q377 HydrophobicContact CB-CG 4Å; R374-Q377 VanDerWaalsContact CD-CD 3.46Å; R374-Q377 VanDerWaalsContact CD-OE1 3.26Å; R374-Q377 PolarHBondContact O-N 2.95Å | ||
| 375 | Y | 82.2 | Confident | 82.4 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -61.5 | -37.9 | 179.8 | -60.8 | -44.4 | 0 | 0 | 0 | 113.4 | M116 V148 N149 F373 Q377 N378 G383 M386 Y387 A390 | M116-Y375 WeakPolarHBondContact CE-OH 3.4Å; V148-Y375 HydrophobicContact CB-CD1 4.47Å; V148-Y375 HydrophobicContact CG1-CD1 3.91Å; V148-Y375 HydrophobicContact CG1-CE1 3.97Å; V148-Y375 HydrophobicContact CG2-CD1 3.74Å; V148-Y375 HydrophobicContact CG2-CE1 4.3Å; N149-Y375 VanDerWaalsContact OD1-CE1 3.25Å; N149-Y375 WeakPolarHBondContact OD1-CE1 3.16Å; N149-Y375 VanDerWaalsContact OD1-CZ 3.32Å; N149-Y375 PolarHBondContact OD1-OH 2.56Å; F373-Y375 HydrophobicContact CD1-CE2 4.33Å; Y375-Q377 PolarHBondContact O-N 3.16Å; Y375-N378 PolarHBondContact O-N 3.09Å; Y375-N378 VanDerWaalsContact O-N 3.12Å; Y375-G383 WeakPolarHBondContact O-CA 3.23Å; Y375-M386 HydrophobicContact CD1-CB 3.72Å; Y375-M386 HydrophobicContact CD1-CE 4.47Å; Y375-M386 HydrophobicContact CD1-CG 4Å; Y375-M386 HydrophobicContact CD2-CB 3.77Å; Y375-M386 HydrophobicContact CE1-CB 4.24Å; Y375-M386 HydrophobicContact CE1-CE 4.18Å; Y375-M386 HydrophobicContact CE2-CB 4.27Å; Y375-M386 HydrophobicContact CG-CB 3.48Å; Y375-M386 VanDerWaalsContact CG-CB 3.48Å; Y375-M386 HydrophobicContact CG-CG 4.16Å; Y375-Y387 AromaticContact CD2-CD1 3.78Å; Y375-Y387 HydrophobicContact CD2-CD1 3.78Å; Y375-Y387 AromaticContact CD2-CE1 3.74Å; Y375-Y387 HydrophobicContact CD2-CE1 3.74Å; Y375-Y387 HydrophobicContact CD2-CG 4.17Å; Y375-Y387 HydrophobicContact CE2-CD1 4.3Å; Y375-Y387 HydrophobicContact CE2-CE1 4.38Å; Y375-A390 HydrophobicContact CE2-CB 4.3Å |
| 376 | L | 80.5 | Confident | 82.1 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 45% | 0.45 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -64.5 | -22.4 | -178.4 | -65.8 | 170.8 | 0 | 0 | 0 | 114.1 | R374 N378 G379 Y380 Y387 | R374-L376 VanDerWaalsContact C-N 3.34Å; R374-L376 PolarHBondContact O-N 3.44Å; L376-N378 PolarHBondContact O-N 3.04Å; L376-G379 PolarHBondContact O-N 2.82Å; L376-Y380 HydrophobicContact CD2-CD2 4.43Å; L376-Y387 HydrophobicContact CD1-CE2 4.13Å; L376-Y387 HydrophobicContact CD2-CE2 4.11Å; L376-Y387 HydrophobicContact CG-CE2 3.78Å |
| 377 | Q | 79.1 | Confident | 81.8 | Confident | 136 Ų | 136 | 74.5 Ų | 74.5 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -66.9 | -15.4 | 177 | -66.2 | -170.5 | -27.3 | 0 | 0 | 112.9 | R374 Y375 G379 | R374-Q377 HydrophobicContact CB-CB 4.49Å; R374-Q377 HydrophobicContact CB-CG 4Å; R374-Q377 VanDerWaalsContact CD-CD 3.46Å; R374-Q377 VanDerWaalsContact CD-OE1 3.26Å; R374-Q377 PolarHBondContact O-N 2.95Å; Y375-Q377 PolarHBondContact O-N 3.16Å; Q377-G379 VanDerWaalsContact C-N 3.32Å |
| 378 | N | 78.1 | Confident | 81.7 | Confident | 29 Ų | 29 | 78.4 Ų | 78.4 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -91.6 | 10 | 179 | -80.9 | -88.6 | 0 | 0 | 0 | 113.9 | Q144 V148 Y375 L376 F382 | Q144-N378 PolarHBondContact NE2-OD1 3.13Å; V148-N378 VanDerWaalsContact CG2-ND2 3.3Å; V148-N378 WeakPolarHBondContact CG2-ND2 3.45Å; Y375-N378 PolarHBondContact O-N 3.09Å; Y375-N378 VanDerWaalsContact O-N 3.12Å; L376-N378 PolarHBondContact O-N 3.04Å; N378-F382 HydrophobicContact CB-CD1 3.44Å; N378-F382 VanDerWaalsContact CB-CD1 3.44Å; N378-F382 HydrophobicContact CB-CE1 3.61Å; N378-F382 HydrophobicContact CB-CG 4.49Å |
| 379 | G | 82.9 | Confident | 81.6 | Confident | 37 Ų | 37 | 77.7 Ų | 77.7 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | trans | 107 | 140.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L376 Q377 L381 F382 G383 | L376-G379 PolarHBondContact O-N 2.82Å; Q377-G379 VanDerWaalsContact C-N 3.32Å; G379-L381 PolarHBondContact O-N 2.83Å; G379-F382 PolarHBondContact O-N 3.08Å; G379-G383 PolarHBondContact O-N 3.26Å | ||
| 380 | Y | 85.2 | Confident | 81.5 | Confident | 179 Ų | 179 | 71.3 Ų | 71.3 | 70% | 0.702 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.6 | -53.8 | -168.8 | -177 | -103.9 | 0 | 0 | 0 | 113.5 | L376 F382 G383 I384 | L376-Y380 HydrophobicContact CD2-CD2 4.43Å; Y380-F382 PolarHBondContact O-N 3.47Å; Y380-G383 PolarHBondContact O-N 3.05Å; Y380-I384 HydrophobicContact CD1-CD1 3.82Å; Y380-I384 HydrophobicContact CE1-CD1 3.34Å; Y380-I384 HydrophobicContact CE2-CD1 4.12Å; Y380-I384 HydrophobicContact CG-CD1 4.39Å; Y380-I384 WeakPolarHBondContact O-CG1 3.15Å; Y380-I384 PolarHBondContact O-N 2.77Å |
| 381 | L | 85.4 | Confident | 81.8 | Confident | 128 Ų | 128 | 73.8 Ų | 73.8 | 67% | 0.67 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | -179 | -178.8 | 62.9 | 0 | 0 | 0 | 112.2 | G379 G383 I384 I385 | G379-L381 PolarHBondContact O-N 2.83Å; L381-G383 VanDerWaalsContact C-N 3.34Å; L381-G383 PolarHBondContact O-N 2.88Å; L381-I384 PolarHBondContact O-N 3.38Å; L381-I385 HydrophobicContact CG-CD1 4.26Å; L381-I385 WeakPolarHBondContact O-CG1 3.33Å; L381-I385 PolarHBondContact O-N 3.24Å; L381-I385 VanDerWaalsContact O-N 3.11Å |
| 382 | F | 85.3 | Confident | 82.8 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 18% | 0.184 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.8 | 176.9 | -91.9 | 0 | 0 | 0 | 110.9 | Q144 F145 V148 N378 G379 Y380 I384 I385 M386 | Q144-F382 HydrophobicContact CG-CE1 4.36Å; Q144-F382 HydrophobicContact CG-CE2 4.26Å; Q144-F382 HydrophobicContact CG-CZ 3.83Å; F145-F382 HydrophobicContact CB-CE2 4.33Å; F145-F382 HydrophobicContact CB-CZ 4.43Å; V148-F382 HydrophobicContact CB-CE1 4.45Å; V148-F382 HydrophobicContact CG1-CE1 4.15Å; V148-F382 HydrophobicContact CG1-CZ 4.25Å; N378-F382 HydrophobicContact CB-CD1 3.44Å; N378-F382 VanDerWaalsContact CB-CD1 3.44Å; N378-F382 HydrophobicContact CB-CE1 3.61Å; N378-F382 HydrophobicContact CB-CG 4.49Å; G379-F382 PolarHBondContact O-N 3.08Å; Y380-F382 PolarHBondContact O-N 3.47Å; F382-I384 VanDerWaalsContact C-N 3.34Å; F382-I384 PolarHBondContact O-N 3.29Å; F382-I385 PolarHBondContact O-N 2.93Å; F382-M386 HydrophobicContact CD1-CG 3.95Å; F382-M386 HydrophobicContact CE1-CG 3.62Å; F382-M386 HydrophobicContact CE1-SD 4.05Å; F382-M386 HydrophobicContact CE2-SD 4.24Å; F382-M386 HydrophobicContact CZ-CG 4Å; F382-M386 HydrophobicContact CZ-SD 3.79Å; F382-M386 WeakPolarHBondContact O-CG 3.48Å; F382-M386 PolarHBondContact O-N 3.33Å |
| 383 | G | 86.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y375 G379 Y380 L381 M386 Y387 | Y375-G383 WeakPolarHBondContact O-CA 3.23Å; G379-G383 PolarHBondContact O-N 3.26Å; Y380-G383 PolarHBondContact O-N 3.05Å; L381-G383 VanDerWaalsContact C-N 3.34Å; L381-G383 PolarHBondContact O-N 2.88Å; G383-M386 PolarHBondContact O-N 3.3Å; G383-Y387 WeakPolarHBondContact O-CD2 3.29Å; G383-Y387 PolarHBondContact O-N 3.36Å |
| 384 | I | 87.9 | Confident | 84.9 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 34% | 0.338 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 174 | -69.4 | 169.2 | 0 | 0 | 0 | 111 | Y380 L381 F382 M386 Y387 V388 | Y380-I384 HydrophobicContact CD1-CD1 3.82Å; Y380-I384 HydrophobicContact CE1-CD1 3.34Å; Y380-I384 HydrophobicContact CE2-CD1 4.12Å; Y380-I384 HydrophobicContact CG-CD1 4.39Å; Y380-I384 WeakPolarHBondContact O-CG1 3.15Å; Y380-I384 PolarHBondContact O-N 2.77Å; L381-I384 PolarHBondContact O-N 3.38Å; F382-I384 VanDerWaalsContact C-N 3.34Å; F382-I384 PolarHBondContact O-N 3.29Å; I384-M386 VanDerWaalsContact C-N 3.27Å; I384-M386 PolarHBondContact O-N 2.93Å; I384-Y387 PolarHBondContact O-N 3.11Å; I384-Y387 VanDerWaalsContact O-N 3.16Å; I384-V388 HydrophobicContact CG2-CG2 4.47Å; I384-V388 WeakPolarHBondContact O-CG2 3.25Å; I384-V388 PolarHBondContact O-N 3.49Å |
| 385 | I | 87.2 | Confident | 86 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 44% | 0.441 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 177.9 | -66.9 | 166 | 0 | 0 | 0 | 110.3 | L381 F382 Y387 V388 V389 | L381-I385 HydrophobicContact CG-CD1 4.26Å; L381-I385 WeakPolarHBondContact O-CG1 3.33Å; L381-I385 PolarHBondContact O-N 3.24Å; L381-I385 VanDerWaalsContact O-N 3.11Å; F382-I385 PolarHBondContact O-N 2.93Å; I385-Y387 PolarHBondContact O-N 2.71Å; I385-V388 PolarHBondContact O-N 3.37Å; I385-V389 WeakPolarHBondContact O-CG2 3.25Å; I385-V389 PolarHBondContact O-N 3.42Å |
| 386 | M | 86.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.9 | -65.7 | -49.9 | -55.4 | 0 | 0 | 112.6 | F145 V148 N149 Y375 F382 G383 I384 V389 A390 | F145-M386 HydrophobicContact CD2-CE 3.76Å; F145-M386 HydrophobicContact CD2-SD 3.14Å; F145-M386 WeakPolarHBondContact CD2-SD 3.33Å; F145-M386 HydrophobicContact CE1-CE 4.47Å; F145-M386 HydrophobicContact CE2-CE 3.52Å; F145-M386 HydrophobicContact CE2-SD 3.29Å; F145-M386 WeakPolarHBondContact CE2-SD 3.44Å; F145-M386 HydrophobicContact CG-CE 4.32Å; F145-M386 HydrophobicContact CG-SD 4.02Å; F145-M386 HydrophobicContact CZ-CE 3.9Å; F145-M386 HydrophobicContact CZ-SD 4.26Å; V148-M386 HydrophobicContact CG1-CE 3.67Å; V148-M386 HydrophobicContact CG1-CG 4.24Å; V148-M386 HydrophobicContact CG1-SD 4.1Å; N149-M386 WeakPolarHBondContact ND2-CE 3.28Å; Y375-M386 HydrophobicContact CD1-CB 3.72Å; Y375-M386 HydrophobicContact CD1-CE 4.47Å; Y375-M386 HydrophobicContact CD1-CG 4Å; Y375-M386 HydrophobicContact CD2-CB 3.77Å; Y375-M386 HydrophobicContact CE1-CB 4.24Å; Y375-M386 HydrophobicContact CE1-CE 4.18Å; Y375-M386 HydrophobicContact CE2-CB 4.27Å; Y375-M386 HydrophobicContact CG-CB 3.48Å; Y375-M386 VanDerWaalsContact CG-CB 3.48Å; Y375-M386 HydrophobicContact CG-CG 4.16Å; F382-M386 HydrophobicContact CD1-CG 3.95Å; F382-M386 HydrophobicContact CE1-CG 3.62Å; F382-M386 HydrophobicContact CE1-SD 4.05Å; F382-M386 HydrophobicContact CE2-SD 4.24Å; F382-M386 HydrophobicContact CZ-CG 4Å; F382-M386 HydrophobicContact CZ-SD 3.79Å; F382-M386 WeakPolarHBondContact O-CG 3.48Å; F382-M386 PolarHBondContact O-N 3.33Å; G383-M386 PolarHBondContact O-N 3.3Å; I384-M386 VanDerWaalsContact C-N 3.27Å; I384-M386 PolarHBondContact O-N 2.93Å; M386-V389 PolarHBondContact O-N 2.86Å; M386-A390 WeakPolarHBondContact O-CB 3.16Å; M386-A390 PolarHBondContact O-N 2.95Å |
| 387 | Y | 88.4 | Confident | 86.7 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.5 | -78.5 | -60.3 | 0 | 0 | 0 | 112.1 | Y375 L376 G383 I384 I385 V389 A390 I391 | Y375-Y387 AromaticContact CD2-CD1 3.78Å; Y375-Y387 HydrophobicContact CD2-CD1 3.78Å; Y375-Y387 AromaticContact CD2-CE1 3.74Å; Y375-Y387 HydrophobicContact CD2-CE1 3.74Å; Y375-Y387 HydrophobicContact CD2-CG 4.17Å; Y375-Y387 HydrophobicContact CE2-CD1 4.3Å; Y375-Y387 HydrophobicContact CE2-CE1 4.38Å; L376-Y387 HydrophobicContact CD1-CE2 4.13Å; L376-Y387 HydrophobicContact CD2-CE2 4.11Å; L376-Y387 HydrophobicContact CG-CE2 3.78Å; G383-Y387 WeakPolarHBondContact O-CD2 3.29Å; G383-Y387 PolarHBondContact O-N 3.36Å; I384-Y387 PolarHBondContact O-N 3.11Å; I384-Y387 VanDerWaalsContact O-N 3.16Å; I385-Y387 PolarHBondContact O-N 2.71Å; Y387-V389 PolarHBondContact O-N 3.1Å; Y387-A390 PolarHBondContact O-N 3.49Å; Y387-I391 WeakPolarHBondContact O-CB 3.33Å; Y387-I391 WeakPolarHBondContact O-CD1 3.43Å; Y387-I391 WeakPolarHBondContact O-CG1 3.4Å; Y387-I391 PolarHBondContact O-N 3.49Å |
| 388 | V | 88.7 | Confident | 87.2 | Confident | 81 Ų | 81 | 61 Ų | 61 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | I384 I385 A390 I391 V392 | I384-V388 HydrophobicContact CG2-CG2 4.47Å; I384-V388 WeakPolarHBondContact O-CG2 3.25Å; I384-V388 PolarHBondContact O-N 3.49Å; I385-V388 PolarHBondContact O-N 3.37Å; V388-A390 PolarHBondContact O-N 2.99Å; V388-I391 PolarHBondContact O-N 2.89Å; V388-V392 HydrophobicContact CG1-CG2 4.49Å; V388-V392 VanDerWaalsContact O-CG2 3.32Å; V388-V392 WeakPolarHBondContact O-CG2 3.4Å; V388-V392 PolarHBondContact O-N 3.28Å |
| 389 | V | 87.1 | Confident | 87.8 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 18% | 0.176 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | F85 L112 F145 I385 M386 Y387 I391 V392 E393 | F85-V389 HydrophobicContact CZ-CG1 4.34Å; L112-V389 HydrophobicContact CD2-CG1 3.79Å; F145-V389 HydrophobicContact CE2-CG2 4.23Å; F145-V389 HydrophobicContact CZ-CG1 4Å; F145-V389 HydrophobicContact CZ-CG2 4.46Å; I385-V389 WeakPolarHBondContact O-CG2 3.25Å; I385-V389 PolarHBondContact O-N 3.42Å; M386-V389 PolarHBondContact O-N 2.86Å; Y387-V389 PolarHBondContact O-N 3.1Å; V389-I391 PolarHBondContact O-N 3.13Å; V389-V392 PolarHBondContact O-N 3.38Å; V389-E393 WeakPolarHBondContact O-CB 3.48Å; V389-E393 PolarHBondContact O-N 2.96Å |
| 390 | A | 87.6 | Confident | 88.1 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M116 Y375 M386 Y387 V388 E393 I394 | M116-A390 HydrophobicContact CE-CB 4.1Å; M116-A390 HydrophobicContact SD-CB 3.57Å; M116-A390 VanDerWaalsContact SD-CB 3.57Å; Y375-A390 HydrophobicContact CE2-CB 4.3Å; M386-A390 WeakPolarHBondContact O-CB 3.16Å; M386-A390 PolarHBondContact O-N 2.95Å; Y387-A390 PolarHBondContact O-N 3.49Å; V388-A390 PolarHBondContact O-N 2.99Å; A390-E393 PolarHBondContact O-N 3.37Å; A390-I394 WeakPolarHBondContact O-CB 3.31Å; A390-I394 WeakPolarHBondContact O-CD1 3.39Å; A390-I394 WeakPolarHBondContact O-CG1 3.38Å; A390-I394 PolarHBondContact O-N 3.31Å |
| 391 | I | 89.7 | Confident | 88.2 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 60% | 0.595 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 178 | -71 | 163.9 | 0 | 0 | 0 | 111 | Y387 V388 V389 E393 I394 G395 | Y387-I391 WeakPolarHBondContact O-CB 3.33Å; Y387-I391 WeakPolarHBondContact O-CD1 3.43Å; Y387-I391 WeakPolarHBondContact O-CG1 3.4Å; Y387-I391 PolarHBondContact O-N 3.49Å; V388-I391 PolarHBondContact O-N 2.89Å; V389-I391 PolarHBondContact O-N 3.13Å; I391-E393 VanDerWaalsContact C-N 3.34Å; I391-E393 PolarHBondContact O-N 3.23Å; I391-I394 PolarHBondContact O-N 3Å; I391-G395 PolarHBondContact O-N 2.77Å |
| 392 | V | 89.7 | Confident | 88.4 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 41% | 0.406 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | F85 V388 V389 G395 I396 | F85-V392 HydrophobicContact CE1-CB 4.48Å; F85-V392 HydrophobicContact CE1-CG1 3.79Å; F85-V392 HydrophobicContact CZ-CB 4.49Å; F85-V392 HydrophobicContact CZ-CG1 3.87Å; V388-V392 HydrophobicContact CG1-CG2 4.49Å; V388-V392 VanDerWaalsContact O-CG2 3.32Å; V388-V392 WeakPolarHBondContact O-CG2 3.4Å; V388-V392 PolarHBondContact O-N 3.28Å; V389-V392 PolarHBondContact O-N 3.38Å; V392-G395 WeakPolarHBondContact O-CA 3.49Å; V392-G395 PolarHBondContact O-N 2.78Å; V392-I396 HydrophobicContact CG1-CD1 4.01Å; V392-I396 WeakPolarHBondContact O-CG1 3.3Å; V392-I396 PolarHBondContact O-N 2.63Å |
| 393 | E | 88.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | -179.9 | -169.8 | 160.8 | 144.4 | 0 | 0 | 112.6 | F85 L88 L112 H113 M116 V389 A390 I391 G395 I396 L397 | F85-E393 HydrophobicContact CE1-CB 4.26Å; L88-E393 HydrophobicContact CD1-CG 3.97Å; L88-E393 HydrophobicContact CD2-CG 3.86Å; L112-E393 WeakPolarHBondContact CD2-OE2 3.35Å; L112-E393 VanDerWaalsContact CG-OE2 3.29Å; L112-E393 WeakPolarHBondContact CG-OE2 3.35Å; H113-E393 WeakPolarHBondContact CA-OE1 3.42Å; H113-E393 IonicContact CE1-OE1 3.34Å; H113-E393 IonicContact CE1-OE2 3.02Å; H113-E393 IonicContact CG-OE1 2.65Å; H113-E393 PolarHBondContact N-OE1 3.01Å; H113-E393 IonicContact ND1-OE1 3.09Å; H113-E393 PolarHBondContact ND1-OE1 3.39Å; H113-E393 IonicContact ND1-OE2 3.31Å; M116-E393 HydrophobicContact CB-CG 4.25Å; M116-E393 HydrophobicContact CG-CB 4.13Å; M116-E393 HydrophobicContact CG-CG 3.94Å; V389-E393 WeakPolarHBondContact O-CB 3.48Å; V389-E393 PolarHBondContact O-N 2.96Å; A390-E393 PolarHBondContact O-N 3.37Å; I391-E393 VanDerWaalsContact C-N 3.34Å; I391-E393 PolarHBondContact O-N 3.23Å; E393-G395 VanDerWaalsContact C-N 3.27Å; E393-G395 PolarHBondContact O-N 3.36Å; E393-I396 PolarHBondContact O-N 3.08Å; E393-L397 WeakPolarHBondContact O-CB 3.36Å; E393-L397 WeakPolarHBondContact O-CG 3.16Å; E393-L397 PolarHBondContact O-N 2.8Å |
| 394 | I | 88.6 | Confident | 88.4 | Confident | 72 Ų | 72 | 64.5 Ų | 64.5 | 37% | 0.369 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 172.6 | -69.2 | 164.9 | 0 | 0 | 0 | 110.7 | M116 A390 I391 L397 K398 | M116-I394 HydrophobicContact SD-CD1 4.14Å; M116-I394 HydrophobicContact SD-CG1 4.07Å; A390-I394 WeakPolarHBondContact O-CB 3.31Å; A390-I394 WeakPolarHBondContact O-CD1 3.39Å; A390-I394 WeakPolarHBondContact O-CG1 3.38Å; A390-I394 PolarHBondContact O-N 3.31Å; I391-I394 PolarHBondContact O-N 3Å; I394-L397 PolarHBondContact O-N 2.77Å; I394-K398 HydrophobicContact CG2-CD 4.49Å; I394-K398 WeakPolarHBondContact O-CG 3.39Å; I394-K398 PolarHBondContact O-N 3.26Å |
| 395 | G | 91.2 | Very high | 88.1 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I391 V392 E393 K398 L399 | I391-G395 PolarHBondContact O-N 2.77Å; V392-G395 WeakPolarHBondContact O-CA 3.49Å; V392-G395 PolarHBondContact O-N 2.78Å; E393-G395 VanDerWaalsContact C-N 3.27Å; E393-G395 PolarHBondContact O-N 3.36Å; G395-K398 PolarHBondContact O-N 3.41Å; G395-L399 PolarHBondContact O-N 3.19Å |
| 396 | I | 89.3 | Confident | 87.7 | Confident | 50 Ų | 50 | 62 Ų | 62 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.4 | -60.6 | 162.9 | 0 | 0 | 0 | 110.9 | F85 L88 V392 E393 K398 L399 L400 | F85-I396 HydrophobicContact CB-CD1 4.41Å; F85-I396 HydrophobicContact CD1-CD1 3.46Å; F85-I396 VanDerWaalsContact CD1-CD1 3.46Å; F85-I396 HydrophobicContact CE1-CD1 4Å; F85-I396 HydrophobicContact CG-CD1 4.13Å; L88-I396 HydrophobicContact CD2-CB 3.81Å; L88-I396 HydrophobicContact CD2-CD1 4.49Å; L88-I396 HydrophobicContact CD2-CG2 3.54Å; V392-I396 HydrophobicContact CG1-CD1 4.01Å; V392-I396 WeakPolarHBondContact O-CG1 3.3Å; V392-I396 PolarHBondContact O-N 2.63Å; E393-I396 PolarHBondContact O-N 3.08Å; I396-K398 VanDerWaalsContact C-N 3.32Å; I396-K398 PolarHBondContact O-N 3.48Å; I396-L399 PolarHBondContact O-N 3.14Å; I396-L400 HydrophobicContact CG2-CD1 4.01Å; I396-L400 HydrophobicContact CG2-CG 4.24Å; I396-L400 WeakPolarHBondContact O-CB 3.49Å; I396-L400 WeakPolarHBondContact O-CG 3.4Å; I396-L400 PolarHBondContact O-N 2.64Å |
| 397 | L | 89 | Confident | 86.7 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 176 | -76.5 | 174.2 | 0 | 0 | 0 | 112 | L88 R92 M116 L117 E393 I394 L400 S401 | L88-L397 HydrophobicContact CD1-CD2 3.73Å; L88-L397 HydrophobicContact CD1-CG 4.14Å; L88-L397 HydrophobicContact CD2-CD2 4.41Å; L88-L397 HydrophobicContact CD2-CG 4.36Å; L88-L397 HydrophobicContact CG-CD2 4.17Å; R92-L397 HydrophobicContact CB-CD2 4.19Å; R92-L397 HydrophobicContact CG-CD2 4.15Å; M116-L397 HydrophobicContact CB-CD1 3.81Å; L117-L397 HydrophobicContact CD2-CD1 4Å; L117-L397 HydrophobicContact CD2-CD2 3.79Å; L117-L397 HydrophobicContact CG-CD1 4.16Å; L117-L397 HydrophobicContact CG-CD2 4.27Å; E393-L397 WeakPolarHBondContact O-CB 3.36Å; E393-L397 WeakPolarHBondContact O-CG 3.16Å; E393-L397 PolarHBondContact O-N 2.8Å; I394-L397 PolarHBondContact O-N 2.77Å; L397-L400 PolarHBondContact O-N 3.24Å; L397-S401 PolarHBondContact O-N 3.11Å |
| 398 | K | 89.9 | Confident | 85.1 | Confident | 143 Ų | 143 | 75.8 Ų | 75.8 | 62% | 0.622 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.1 | -46.1 | 173.8 | -75.1 | 179.7 | 178.8 | -177.1 | 0 | 111.5 | I394 G395 I396 L400 S401 V402 | I394-K398 HydrophobicContact CG2-CD 4.49Å; I394-K398 WeakPolarHBondContact O-CG 3.39Å; I394-K398 PolarHBondContact O-N 3.26Å; G395-K398 PolarHBondContact O-N 3.41Å; I396-K398 VanDerWaalsContact C-N 3.32Å; I396-K398 PolarHBondContact O-N 3.48Å; K398-L400 VanDerWaalsContact C-N 3.34Å; K398-L400 PolarHBondContact O-N 3.29Å; K398-S401 WeakPolarHBondContact O-CB 3.34Å; K398-S401 PolarHBondContact O-N 2.76Å; K398-S401 VanDerWaalsContact O-N 3.15Å; K398-S401 PolarHBondContact O-OG 2.89Å; K398-V402 PolarHBondContact O-N 2.87Å |
| 399 | L | 90.1 | Very high | 84.9 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 58% | 0.576 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59 | -45.6 | 175.5 | -177.5 | 65.7 | 0 | 0 | 0 | 111.5 | G395 I396 S401 V402 V403 | G395-L399 PolarHBondContact O-N 3.19Å; I396-L399 PolarHBondContact O-N 3.14Å; L399-S401 VanDerWaalsContact C-N 3.26Å; L399-S401 PolarHBondContact O-N 2.94Å; L399-V402 PolarHBondContact O-N 3.01Å; L399-V402 VanDerWaalsContact O-N 3.12Å; L399-V403 HydrophobicContact CD1-CG2 4Å; L399-V403 HydrophobicContact CG-CG2 4.23Å; L399-V403 WeakPolarHBondContact O-CG2 3.15Å; L399-V403 PolarHBondContact O-N 3.28Å |
| 400 | L | 87.9 | Confident | 84.8 | Confident | 30 Ų | 30 | 78 Ų | 78 | 16% | 0.157 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.9 | -31.6 | 177.4 | -73.4 | 172.4 | 0 | 0 | 0 | 112.5 | L88 P89 R92 I396 L397 K398 V402 S404 | L88-L400 HydrophobicContact CD2-CD1 4.45Å; L88-L400 HydrophobicContact CG-CD1 4.35Å; P89-L400 HydrophobicContact CB-CD1 4.31Å; P89-L400 HydrophobicContact CB-CD2 4.37Å; P89-L400 HydrophobicContact CG-CD1 4.17Å; P89-L400 HydrophobicContact CG-CD2 4.38Å; R92-L400 PolarHBondContact NH1-O 2.88Å; I396-L400 HydrophobicContact CG2-CD1 4.01Å; I396-L400 HydrophobicContact CG2-CG 4.24Å; I396-L400 WeakPolarHBondContact O-CB 3.49Å; I396-L400 WeakPolarHBondContact O-CG 3.4Å; I396-L400 PolarHBondContact O-N 2.64Å; L397-L400 PolarHBondContact O-N 3.24Å; K398-L400 VanDerWaalsContact C-N 3.34Å; K398-L400 PolarHBondContact O-N 3.29Å; L400-V402 VanDerWaalsContact C-N 3.26Å; L400-V402 PolarHBondContact O-N 3.09Å; L400-S404 CarbonylContact O-C 3.18Å; L400-S404 WeakPolarHBondContact O-CA 3.14Å; L400-S404 PolarHBondContact O-N 3.32Å |
| 401 | S | 87.8 | Confident | 84.6 | Confident | 59 Ų | 59 | 81.9 Ų | 81.9 | 41% | 0.413 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.9 | -28.8 | 175.5 | 75.7 | 0 | 0 | 0 | 0 | 113.5 | L397 K398 L399 | L397-S401 PolarHBondContact O-N 3.11Å; K398-S401 WeakPolarHBondContact O-CB 3.34Å; K398-S401 PolarHBondContact O-N 2.76Å; K398-S401 VanDerWaalsContact O-N 3.15Å; K398-S401 PolarHBondContact O-OG 2.89Å; L399-S401 VanDerWaalsContact C-N 3.26Å; L399-S401 PolarHBondContact O-N 2.94Å |
| 402 | V | 89.5 | Confident | 84.3 | Confident | 118 Ų | 118 | 79.9 Ų | 79.9 | 72% | 0.715 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -85.7 | -47.2 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | K398 L399 L400 | K398-V402 PolarHBondContact O-N 2.87Å; L399-V402 PolarHBondContact O-N 3.01Å; L399-V402 VanDerWaalsContact O-N 3.12Å; L400-V402 VanDerWaalsContact C-N 3.26Å; L400-V402 PolarHBondContact O-N 3.09Å |
| 403 | V | 87.5 | Confident | 84 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 65% | 0.648 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -77.9 | -32.7 | -173.8 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | L399 | L399-V403 HydrophobicContact CD1-CG2 4Å; L399-V403 HydrophobicContact CG-CG2 4.23Å; L399-V403 WeakPolarHBondContact O-CG2 3.15Å; L399-V403 PolarHBondContact O-N 3.28Å |
| 404 | S | 84.6 | Confident | 83.7 | Confident | 63 Ų | 63 | 86.1 Ų | 86.1 | 44% | 0.441 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -137.7 | 72.3 | -178.2 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | R92 L400 I406 | R92-S404 PolarHBondContact NH1-O 3.05Å; R92-S404 PolarHBondContact NH2-O 3.01Å; L400-S404 CarbonylContact O-C 3.18Å; L400-S404 WeakPolarHBondContact O-CA 3.14Å; L400-S404 PolarHBondContact O-N 3.32Å; S404-I406 PolarHBondContact O-N 3.26Å |
| 405 | P | 81.7 | Confident | 83.3 | Confident | 64 Ų | 64 | 87.1 Ų | 87.1 | 42% | 0.416 | 47% | 0.469 | S | S | . | . | trans | -62.1 | 131.6 | 175.3 | 26.5 | -32.6 | 0 | 0 | 0 | 109 | Y407 | P405-Y407 HydrophobicContact CB-CE2 4.29Å; P405-Y407 HydrophobicContact CG-CE2 4.16Å | ||
| 406 | I | 78.5 | Confident | 82.7 | Confident | 35 Ų | 35 | 90.8 Ų | 90.8 | 18% | 0.179 | 47% | 0.474 | C | S | . | . | trans | -103 | 111.3 | 175.2 | -62.2 | 162 | 0 | 0 | 0 | 105.8 | R92 F93 I96 S404 | R92-I406 HydrophobicContact CG-CD1 4.19Å; R92-I406 VanDerWaalsContact NH1-CD1 3.25Å; F93-I406 HydrophobicContact CB-CD1 4.3Å; F93-I406 HydrophobicContact CD2-CD1 4.21Å; F93-I406 HydrophobicContact CD2-CG1 4.26Å; I96-I406 HydrophobicContact CB-CD1 4.36Å; I96-I406 HydrophobicContact CD1-CD1 4.12Å; I96-I406 HydrophobicContact CG2-CB 4.32Å; I96-I406 HydrophobicContact CG2-CG2 3.9Å; S404-I406 PolarHBondContact O-N 3.26Å | ||
| 407 | Y | 64.9 | Low | 82.2 | Confident | 202 Ų | 202 | 94.3 Ų | 94.3 | 79% | 0.792 | 49% | 0.492 | S | S | * | . | trans | -79.4 | 120.3 | 169.9 | -58.8 | -80.6 | 0 | 0 | 0 | 107.7 | P405 | P405-Y407 HydrophobicContact CB-CE2 4.29Å; P405-Y407 HydrophobicContact CG-CE2 4.16Å | ||
| 408 | Q | 55 | Low | 81.6 | Confident | 183 Ų | 183 | 101.3 Ų | 101.3 | 86% | 0.855 | 53% | 0.529 | S | S | * | . | trans | -69.3 | 0 | 167.2 | -72.2 | -173.2 | -3.6 | 0 | 0 | 109.7 | I96 | I96-Q408 HydrophobicContact CG2-CG 4.19Š|
Retrieved 408 of 408 residues in 401.2 ms
(Link to these results)