| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 30.9 | Very low | 31.3 | Very low | 248 Ų | 248 | 104.6 Ų | 104.6 | 100% | 1.222 | 60% | 0.6 | S | S | * | * | 0 | 90.9 | 0 | -80.1 | 168.7 | 144.7 | 0 | 0 | 108.6 | A3 | M1-A3 PolarHBondContact O-N 3.03Š| |||
| 2 | S | 29.5 | Very low | 32.2 | Very low | 128 Ų | 128 | 101.3 Ų | 101.3 | 90% | 0.895 | 58% | 0.579 | S | S | * | * | trans | -77.6 | 108.8 | 177.4 | -156 | 0 | 0 | 0 | 0 | 107.7 | G4 | S2-G4 PolarHBondContact O-N 2.89Š| ||
| 3 | A | 28.2 | Very low | 33.4 | Very low | 91 Ų | 91 | 96.9 Ų | 96.9 | 75% | 0.752 | 55% | 0.552 | S | S | * | * | trans | -56.4 | 110.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | M1 K5 | M1-A3 PolarHBondContact O-N 3.03Å; A3-K5 PolarHBondContact O-N 3.26Å | ||
| 4 | G | 27.8 | Very low | 34.2 | Very low | 66 Ų | 66 | 98.7 Ų | 98.7 | 68% | 0.68 | 55% | 0.546 | S | S | * | . | trans | -52.9 | 109.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | S2 N6 | S2-G4 PolarHBondContact O-N 2.89Å; G4-N6 VanDerWaalsContact C-N 3.35Å; G4-N6 PolarHBondContact O-N 3.03Å | ||
| 5 | K | 27.2 | Very low | 35.1 | Very low | 190 Ų | 190 | 97.7 Ų | 97.7 | 83% | 0.826 | 54% | 0.539 | S | S | * | . | trans | -54 | 107.7 | 165.7 | -90.5 | 176.4 | 172.9 | 175.1 | 0 | 105.5 | A3 I7 | A3-K5 PolarHBondContact O-N 3.26Å; K5-I7 HydrophobicContact CB-CG1 4.47Å; K5-I7 PolarHBondContact O-N 3.29Å | ||
| 6 | N | 26.2 | Very low | 36.4 | Very low | 155 Ų | 155 | 92.8 Ų | 92.8 | 83% | 0.829 | 51% | 0.511 | S | S | * | . | trans | -62.5 | 84.2 | 164.8 | -84.5 | -34.3 | 0 | 0 | 0 | 106.9 | G4 S8 | G4-N6 VanDerWaalsContact C-N 3.35Å; G4-N6 PolarHBondContact O-N 3.03Å; N6-S8 VanDerWaalsContact C-N 3.34Å; N6-S8 PolarHBondContact O-N 3.34Å | ||
| 7 | I | 30.8 | Very low | 37.7 | Very low | 52 Ų | 52 | 87.7 Ų | 87.7 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | trans | -61.8 | 102.4 | 169.8 | -63.8 | 166.8 | 0 | 0 | 0 | 104.7 | K5 I9 A301 | K5-I7 HydrophobicContact CB-CG1 4.47Å; K5-I7 PolarHBondContact O-N 3.29Å; I7-I9 PolarHBondContact O-N 3.2Å; I7-A301 WeakPolarHBondContact O-CB 3.36Å | ||
| 8 | S | 30.6 | Very low | 39.2 | Very low | 18 Ų | 18 | 87 Ų | 87 | 13% | 0.126 | 48% | 0.475 | C | S | . | . | trans | -59.4 | 124.7 | 171.5 | 35.5 | 0 | 0 | 0 | 0 | 107.6 | N6 F10 T11 | N6-S8 VanDerWaalsContact C-N 3.34Å; N6-S8 PolarHBondContact O-N 3.34Å; S8-F10 PolarHBondContact O-N 3.33Å; S8-T11 PolarHBondContact O-N 3.2Å; S8-T11 PolarHBondContact O-OG1 3.41Å; S8-T11 WeakPolarHBondContact OG-CG2 3.47Å | ||
| 9 | I | 39.1 | Very low | 40.7 | Very low | 68 Ų | 68 | 85.4 Ų | 85.4 | 35% | 0.349 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -2.1 | -179.9 | -68 | 155.2 | 0 | 0 | 0 | 114.1 | I7 A301 Y308 | I7-I9 PolarHBondContact O-N 3.2Å; I9-A301 HydrophobicContact CD1-CB 4.27Å; I9-A301 HydrophobicContact CG1-CB 4Å; I9-Y308 HydrophobicContact CG2-CD2 4.26Å; I9-Y308 HydrophobicContact CG2-CE2 4.34Å |
| 10 | F | 37.2 | Very low | 42.2 | Very low | 97 Ų | 97 | 82.2 Ų | 82.2 | 43% | 0.425 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 9.9 | -178 | -66.7 | -79.5 | 0 | 0 | 0 | 114.2 | S8 D12 E200 F202 | S8-F10 PolarHBondContact O-N 3.33Å; F10-D12 PolarHBondContact O-N 3.41Å; F10-E200 VanDerWaalsContact O-OE2 3.14Å; F10-F202 HydrophobicContact CB-CB 4.4Å; F10-F202 HydrophobicContact CD1-CB 4.2Å; F10-F202 HydrophobicContact CG-CB 4.14Å |
| 11 | T | 37 | Very low | 44.1 | Very low | 38 Ų | 38 | 79.4 Ų | 79.4 | 23% | 0.233 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -64.9 | 127.1 | 178.6 | 27.2 | 0 | 0 | 0 | 0 | 114.1 | S8 I16 E200 | S8-T11 PolarHBondContact O-N 3.2Å; S8-T11 PolarHBondContact O-OG1 3.41Å; S8-T11 WeakPolarHBondContact OG-CG2 3.47Å; T11-I16 WeakPolarHBondContact O-CD1 3.38Å; T11-I16 WeakPolarHBondContact O-CG1 3.45Å; T11-E200 VanDerWaalsContact CA-CD 3.5Å; T11-E200 WeakPolarHBondContact CA-OE1 3.49Å; T11-E200 VanDerWaalsContact CA-OE2 3.23Å; T11-E200 WeakPolarHBondContact CA-OE2 3.5Å; T11-E200 WeakPolarHBondContact CG2-OE1 3.36Å; T11-E200 WeakPolarHBondContact CG2-OE2 3.33Å |
| 12 | D | 41.9 | Very low | 46.4 | Very low | 65 Ų | 65 | 74.1 Ų | 74.1 | 35% | 0.348 | 40% | 0.4 | S | S | . | . | trans | 25.1 | 95.7 | 172.8 | -155.6 | -7.8 | 0 | 0 | 0 | 115.7 | F10 R14 N15 I16 E200 | F10-D12 PolarHBondContact O-N 3.41Å; D12-R14 PolarHBondContact O-N 2.73Å; D12-R14 WeakPolarHBondContact OD1-CB 3.45Å; D12-R14 PolarHBondContact OD1-N 3.19Å; D12-N15 PolarHBondContact O-N 3.06Å; D12-I16 PolarHBondContact O-N 3.49Å; D12-E200 PolarHBondContact N-OE1 3.37Å | ||
| 13 | L | 47.7 | Very low | 48.6 | Very low | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -25.2 | 175.9 | -112.3 | 77 | 0 | 0 | 0 | 113.4 | N15 I16 Y116 | L13-N15 VanDerWaalsContact C-N 3.27Å; L13-N15 PolarHBondContact O-N 2.77Å; L13-I16 HydrophobicContact CD1-CD1 4.06Å; L13-I16 HydrophobicContact CG-CD1 4.44Å; L13-Y116 HydrophobicContact CB-CD2 4.49Å |
| 14 | R | 44.4 | Very low | 50.9 | Low | 122 Ų | 122 | 67.1 Ų | 67.1 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -35.6 | 177.5 | -157 | -178 | -64.4 | -161.3 | -2.2 | 112.7 | D12 G113 Y116 | D12-R14 PolarHBondContact O-N 2.73Å; D12-R14 WeakPolarHBondContact OD1-CB 3.45Å; D12-R14 PolarHBondContact OD1-N 3.19Å; R14-G113 WeakPolarHBondContact CG-O 3.39Å; R14-Y116 PolarHBondContact NH2-OH 3.15Å |
| 15 | N | 47.3 | Very low | 53.3 | Low | 83 Ų | 83 | 70.5 Ų | 70.5 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -21 | -173.1 | -80.7 | -17.6 | 0 | 0 | 0 | 114 | D12 L13 T17 F18 E19 | D12-N15 PolarHBondContact O-N 3.06Å; L13-N15 VanDerWaalsContact C-N 3.27Å; L13-N15 PolarHBondContact O-N 2.77Å; N15-T17 PolarHBondContact O-N 3.29Å; N15-F18 PolarHBondContact O-N 3.12Å; N15-E19 HydrophobicContact CB-CB 4.19Å; N15-E19 WeakPolarHBondContact O-CA 3.46Å; N15-E19 WeakPolarHBondContact O-CB 3.24Å; N15-E19 PolarHBondContact O-N 3.4Å |
| 16 | I | 57.3 | Low | 55.8 | Low | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -47.2 | -41.9 | -174.7 | -65.9 | 177.3 | 0 | 0 | 0 | 113.7 | T11 D12 L13 | T11-I16 WeakPolarHBondContact O-CD1 3.38Å; T11-I16 WeakPolarHBondContact O-CG1 3.45Å; D12-I16 PolarHBondContact O-N 3.49Å; L13-I16 HydrophobicContact CD1-CD1 4.06Å; L13-I16 HydrophobicContact CG-CD1 4.44Å |
| 17 | T | 57.7 | Low | 58.3 | Low | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.043 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.6 | -27.8 | -173.9 | -36.9 | 0 | 0 | 0 | 0 | 113 | N15 Y109 | N15-T17 PolarHBondContact O-N 3.29Å; T17-Y109 HydrophobicContact CG2-CD2 3.57Å; T17-Y109 HydrophobicContact CG2-CE2 4.33Å; T17-Y109 HydrophobicContact CG2-CG 4.42Å |
| 18 | F | 64.1 | Low | 60.8 | Low | 75 Ų | 75 | 73.2 Ų | 73.2 | 33% | 0.329 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -115.8 | -15.3 | -176.5 | -67.4 | -72.3 | 0 | 0 | 0 | 114.5 | N15 F20 C21 Y22 Y109 | N15-F18 PolarHBondContact O-N 3.12Å; F18-F20 VanDerWaalsContact C-N 3.31Å; F18-F20 PolarHBondContact O-N 3.13Å; F18-C21 WeakPolarHBondContact O-CB 3.34Å; F18-C21 PolarHBondContact O-N 3.29Å; F18-C21 VanDerWaalsContact O-N 3.08Å; F18-Y22 PolarHBondContact O-N 3.21Å; F18-Y109 HydrophobicContact CE1-CD2 4.19Å; F18-Y109 AromaticContact CE1-CE2 3.91Å; F18-Y109 HydrophobicContact CE1-CE2 3.91Å; F18-Y109 HydrophobicContact CE2-CD2 4.08Å; F18-Y109 AromaticContact CZ-CD2 3.56Å; F18-Y109 HydrophobicContact CZ-CD2 3.56Å; F18-Y109 AromaticContact CZ-CE2 3.68Å; F18-Y109 HydrophobicContact CZ-CE2 3.68Å; F18-Y109 HydrophobicContact CZ-CG 4.41Å |
| 19 | E | 68.8 | Low | 63.5 | Low | 57 Ų | 57 | 73.8 Ų | 73.8 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.8 | -45.2 | -174.8 | -172.6 | 177.7 | 176.5 | 0 | 0 | 111.1 | N15 C21 Y22 L23 | N15-E19 HydrophobicContact CB-CB 4.19Å; N15-E19 WeakPolarHBondContact O-CA 3.46Å; N15-E19 WeakPolarHBondContact O-CB 3.24Å; N15-E19 PolarHBondContact O-N 3.4Å; E19-C21 VanDerWaalsContact C-N 3.34Å; E19-C21 PolarHBondContact O-N 3.16Å; E19-Y22 CarbonylContact O-C 3.59Å; E19-Y22 WeakPolarHBondContact O-CB 3.44Å; E19-Y22 PolarHBondContact O-N 3.28Å; E19-Y22 VanDerWaalsContact O-N 3.15Å; E19-L23 HydrophobicContact CG-CD1 4.28Å; E19-L23 HydrophobicContact CG-CG 4.47Å; E19-L23 WeakPolarHBondContact O-CG 3.43Å; E19-L23 PolarHBondContact O-N 3.17Å |
| 20 | F | 70.8 | Confident | 65.9 | Low | 20 Ų | 20 | 76.1 Ų | 76.1 | 9% | 0.088 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.9 | -31.3 | 179.7 | -65.9 | -74.5 | 0 | 0 | 0 | 113.1 | F18 Y22 L23 L24 Y32 K35 I302 | F18-F20 VanDerWaalsContact C-N 3.31Å; F18-F20 PolarHBondContact O-N 3.13Å; F20-Y22 VanDerWaalsContact C-N 3.31Å; F20-L23 HydrophobicContact CD1-CD1 4.12Å; F20-L23 HydrophobicContact CE1-CD1 4.41Å; F20-L23 PolarHBondContact O-N 3.4Å; F20-L24 WeakPolarHBondContact O-CB 3.29Å; F20-L24 PolarHBondContact O-N 3.16Å; F20-Y32 AromaticContact CD1-CD1 3.91Å; F20-Y32 HydrophobicContact CD1-CD1 3.91Å; F20-Y32 HydrophobicContact CD1-CE1 4.25Å; F20-Y32 HydrophobicContact CE1-CE1 4.47Å; F20-K35 HydrophobicContact CB-CB 4.24Å; F20-K35 HydrophobicContact CB-CG 3.8Å; F20-K35 HydrophobicContact CD1-CB 4.41Å; F20-K35 HydrophobicContact CD1-CG 3.77Å; F20-K35 HydrophobicContact CD2-CD 4.16Å; F20-K35 HydrophobicContact CD2-CG 3.39Å; F20-K35 HydrophobicContact CE1-CG 4.17Å; F20-K35 HydrophobicContact CE2-CD 4.28Å; F20-K35 VanDerWaalsContact CE2-CE 3.41Å; F20-K35 HydrophobicContact CE2-CG 3.83Å; F20-K35 HydrophobicContact CG-CB 4.17Å; F20-K35 HydrophobicContact CG-CG 3.34Å; F20-K35 HydrophobicContact CZ-CG 4.19Å; F20-I302 HydrophobicContact CE1-CG1 4.13Å |
| 21 | C | 81.1 | Confident | 68.3 | Low | 25 Ų | 25 | 73.7 Ų | 73.7 | 17% | 0.169 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.3 | -33.6 | 172 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | F18 E19 C36 | F18-C21 WeakPolarHBondContact O-CB 3.34Å; F18-C21 PolarHBondContact O-N 3.29Å; F18-C21 VanDerWaalsContact O-N 3.08Å; E19-C21 VanDerWaalsContact C-N 3.34Å; E19-C21 PolarHBondContact O-N 3.16Å; C21-C36 VanDerWaalsContact CA-SG 3.52Å; C21-C36 HydrophobicContact CB-CB 4.04Å; C21-C36 WeakPolarHBondContact CB-SG 3.25Å; C21-C36 VanDerWaalsContact SG-CA 3.56Å; C21-C36 WeakPolarHBondContact SG-CB 3.17Å; C21-C36 CovalentContact SG-SG 2.04Å; C21-C36 PolarHBondContact SG-SG 2.96Å |
| 22 | Y | 79.2 | Confident | 70.7 | Confident | 136 Ų | 136 | 73.8 Ų | 73.8 | 53% | 0.533 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.5 | -38.6 | 172.7 | 179.4 | -99.1 | 0 | 0 | 0 | 112.4 | F18 E19 F20 L24 N25 K26 | F18-Y22 PolarHBondContact O-N 3.21Å; E19-Y22 CarbonylContact O-C 3.59Å; E19-Y22 WeakPolarHBondContact O-CB 3.44Å; E19-Y22 PolarHBondContact O-N 3.28Å; E19-Y22 VanDerWaalsContact O-N 3.15Å; F20-Y22 VanDerWaalsContact C-N 3.31Å; Y22-L24 VanDerWaalsContact C-N 3.31Å; Y22-L24 PolarHBondContact O-N 3.48Å; Y22-N25 WeakPolarHBondContact O-CB 3.2Å; Y22-N25 PolarHBondContact O-N 2.86Å; Y22-K26 HydrophobicContact CE1-CD 4.14Å; Y22-K26 VanDerWaalsContact OH-CE 3.27Å; Y22-K26 WeakPolarHBondContact OH-CE 3.14Å; Y22-K26 PolarHBondContact OH-NZ 2.94Å |
| 23 | L | 75.3 | Confident | 73 | Confident | 41 Ų | 41 | 73.2 Ų | 73.2 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.2 | -34.3 | 173.8 | -70.7 | 174.5 | 0 | 0 | 0 | 112 | E19 F20 N25 K26 E27 Y32 | E19-L23 HydrophobicContact CG-CD1 4.28Å; E19-L23 HydrophobicContact CG-CG 4.47Å; E19-L23 WeakPolarHBondContact O-CG 3.43Å; E19-L23 PolarHBondContact O-N 3.17Å; F20-L23 HydrophobicContact CD1-CD1 4.12Å; F20-L23 HydrophobicContact CE1-CD1 4.41Å; F20-L23 PolarHBondContact O-N 3.4Å; L23-N25 PolarHBondContact O-N 2.78Å; L23-K26 CarbonylContact O-C 3.58Å; L23-K26 WeakPolarHBondContact O-CA 3.44Å; L23-K26 WeakPolarHBondContact O-CB 3.47Å; L23-K26 PolarHBondContact O-N 3.47Å; L23-E27 PolarHBondContact O-N 2.76Å; L23-Y32 HydrophobicContact CD1-CE1 4.32Å |
| 24 | L | 77.8 | Confident | 75.1 | Confident | 31 Ų | 31 | 73.6 Ų | 73.6 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.4 | -33.3 | 173 | -173.2 | 72 | 0 | 0 | 0 | 112.2 | F20 Y22 K26 W28 L33 | F20-L24 WeakPolarHBondContact O-CB 3.29Å; F20-L24 PolarHBondContact O-N 3.16Å; Y22-L24 VanDerWaalsContact C-N 3.31Å; Y22-L24 PolarHBondContact O-N 3.48Å; L24-K26 PolarHBondContact O-N 3.49Å; L24-W28 HydrophobicContact CD1-CG 4.47Å; L24-L33 HydrophobicContact CD1-CB 3.98Å; L24-L33 HydrophobicContact CD2-CB 4.47Å; L24-L33 HydrophobicContact CD2-CD1 3.79Å |
| 25 | N | 77.1 | Confident | 77.2 | Confident | 138 Ų | 138 | 68.3 Ų | 68.3 | 74% | 0.738 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18 | 173.9 | -70.6 | -14.5 | 0 | 0 | 0 | 113.1 | Y22 L23 | Y22-N25 WeakPolarHBondContact O-CB 3.2Å; Y22-N25 PolarHBondContact O-N 2.86Å; L23-N25 PolarHBondContact O-N 2.78Å |
| 26 | K | 79.8 | Confident | 79.2 | Confident | 145 Ų | 145 | 65.3 Ų | 65.3 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -39.7 | 177.6 | -68.8 | -171.6 | 172.8 | -178.2 | 0 | 112.7 | Y22 L23 L24 | Y22-K26 HydrophobicContact CE1-CD 4.14Å; Y22-K26 VanDerWaalsContact OH-CE 3.27Å; Y22-K26 WeakPolarHBondContact OH-CE 3.14Å; Y22-K26 PolarHBondContact OH-NZ 2.94Å; L23-K26 CarbonylContact O-C 3.58Å; L23-K26 WeakPolarHBondContact O-CA 3.44Å; L23-K26 WeakPolarHBondContact O-CB 3.47Å; L23-K26 PolarHBondContact O-N 3.47Å; L24-K26 PolarHBondContact O-N 3.49Å |
| 27 | E | 79.8 | Confident | 80.9 | Confident | 121 Ų | 121 | 68.8 Ų | 68.8 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -144.1 | 114.5 | -178.4 | -173.6 | -179.7 | -172.2 | 0 | 0 | 109.3 | L23 S29 | L23-E27 PolarHBondContact O-N 2.76Å; E27-S29 PolarHBondContact O-N 3.38Å |
| 28 | W | 83.4 | Confident | 82.5 | Confident | 188 Ų | 188 | 69.6 Ų | 69.6 | 71% | 0.712 | 33% | 0.334 | S | S | * | . | trans | -75.8 | 121 | 177.3 | -167.7 | 92.3 | 0 | 0 | 0 | 110.2 | L24 | L24-W28 HydrophobicContact CD1-CG 4.47Š| ||
| 29 | S | 87.6 | Confident | 83.7 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 20% | 0.203 | 32% | 0.321 | C | S | . | . | trans | -144.3 | 146.5 | 165.8 | 81 | 0 | 0 | 0 | 0 | 110.2 | E27 L31 Y32 L33 | E27-S29 PolarHBondContact O-N 3.38Å; S29-L31 PolarHBondContact O-N 2.96Å; S29-Y32 PolarHBondContact O-N 3.5Å; S29-Y32 WeakPolarHBondContact OG-CB 3.36Å; S29-Y32 WeakPolarHBondContact OG-CD2 3.48Å; S29-Y32 PolarHBondContact OG-N 3.25Å; S29-L33 PolarHBondContact O-N 3Å | ||
| 30 | L | 88.6 | Confident | 84.8 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57 | -32.1 | 174.7 | -175.5 | 64.8 | 0 | 0 | 0 | 111.6 | L33 T34 | L30-L33 HydrophobicContact CD1-CD2 4.48Å; L30-T34 WeakPolarHBondContact O-CB 3.42Å; L30-T34 PolarHBondContact O-N 3.27Å; L30-T34 PolarHBondContact O-OG1 2.92Å |
| 31 | L | 87.9 | Confident | 85.8 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.7 | -46.1 | 178.4 | -174.4 | 63.8 | 0 | 0 | 0 | 111.9 | S29 T34 K35 I302 I306 | S29-L31 PolarHBondContact O-N 2.96Å; L31-T34 PolarHBondContact O-N 3.34Å; L31-K35 PolarHBondContact O-N 3.46Å; L31-I302 HydrophobicContact CD1-CG2 4.02Å; L31-I302 HydrophobicContact CD2-CB 4.06Å; L31-I302 HydrophobicContact CD2-CD1 3.96Å; L31-I302 HydrophobicContact CD2-CG2 4.1Å; L31-I302 HydrophobicContact CG-CB 4.22Å; L31-I302 HydrophobicContact CG-CG2 3.7Å; L31-I306 HydrophobicContact CD1-CD1 3.73Å |
| 32 | Y | 88 | Confident | 86.4 | Confident | 40 Ų | 40 | 65 Ų | 65 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 175.5 | -69 | -49.6 | 0 | 0 | 0 | 112 | F20 L23 S29 K35 C36 I302 | F20-Y32 AromaticContact CD1-CD1 3.91Å; F20-Y32 HydrophobicContact CD1-CD1 3.91Å; F20-Y32 HydrophobicContact CD1-CE1 4.25Å; F20-Y32 HydrophobicContact CE1-CE1 4.47Å; L23-Y32 HydrophobicContact CD1-CE1 4.32Å; S29-Y32 PolarHBondContact O-N 3.5Å; S29-Y32 WeakPolarHBondContact OG-CB 3.36Å; S29-Y32 WeakPolarHBondContact OG-CD2 3.48Å; S29-Y32 PolarHBondContact OG-N 3.25Å; Y32-K35 PolarHBondContact O-N 3.2Å; Y32-C36 WeakPolarHBondContact O-CB 3.35Å; Y32-C36 PolarHBondContact O-N 2.97Å; Y32-I302 HydrophobicContact CD1-CD1 4.08Å; Y32-I302 HydrophobicContact CE1-CD1 3.42Å; Y32-I302 VanDerWaalsContact CE1-CD1 3.42Å; Y32-I302 HydrophobicContact CE1-CG1 4.49Å |
| 33 | L | 89.9 | Confident | 87 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 175.1 | 178.6 | 63.3 | 0 | 0 | 0 | 110.9 | L24 S29 L30 K35 C36 I37 | L24-L33 HydrophobicContact CD1-CB 3.98Å; L24-L33 HydrophobicContact CD2-CB 4.47Å; L24-L33 HydrophobicContact CD2-CD1 3.79Å; S29-L33 PolarHBondContact O-N 3Å; L30-L33 HydrophobicContact CD1-CD2 4.48Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 2.85Å; L33-C36 PolarHBondContact O-N 3.34Å; L33-I37 HydrophobicContact CD1-CD1 4Å; L33-I37 HydrophobicContact CD1-CG1 4.32Å; L33-I37 HydrophobicContact CG-CD1 3.89Å; L33-I37 WeakPolarHBondContact O-CG1 3.38Å; L33-I37 PolarHBondContact O-N 3.45Å |
| 34 | T | 91.1 | Very high | 87.8 | Confident | 52 Ų | 52 | 59 Ų | 59 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | L30 L31 I37 T38 I306 | L30-T34 WeakPolarHBondContact O-CB 3.42Å; L30-T34 PolarHBondContact O-N 3.27Å; L30-T34 PolarHBondContact O-OG1 2.92Å; L31-T34 PolarHBondContact O-N 3.34Å; T34-I37 PolarHBondContact O-N 3.17Å; T34-T38 WeakPolarHBondContact O-CB 3.26Å; T34-T38 WeakPolarHBondContact O-CG2 3.08Å; T34-T38 PolarHBondContact O-N 3.29Å; T34-T38 PolarHBondContact O-OG1 2.98Å; T34-I306 HydrophobicContact CG2-CD1 3.87Å; T34-I306 HydrophobicContact CG2-CG1 4.47Å; T34-I306 HydrophobicContact CG2-CG2 4.19Å |
| 35 | K | 89.1 | Confident | 88.6 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 176 | -177 | 57.1 | 174.6 | 163.8 | 0 | 112.4 | F20 L31 Y32 L33 T38 G39 I302 G305 I306 D309 | F20-K35 HydrophobicContact CB-CB 4.24Å; F20-K35 HydrophobicContact CB-CG 3.8Å; F20-K35 HydrophobicContact CD1-CB 4.41Å; F20-K35 HydrophobicContact CD1-CG 3.77Å; F20-K35 HydrophobicContact CD2-CD 4.16Å; F20-K35 HydrophobicContact CD2-CG 3.39Å; F20-K35 HydrophobicContact CE1-CG 4.17Å; F20-K35 HydrophobicContact CE2-CD 4.28Å; F20-K35 VanDerWaalsContact CE2-CE 3.41Å; F20-K35 HydrophobicContact CE2-CG 3.83Å; F20-K35 HydrophobicContact CG-CB 4.17Å; F20-K35 HydrophobicContact CG-CG 3.34Å; F20-K35 HydrophobicContact CZ-CG 4.19Å; L31-K35 PolarHBondContact O-N 3.46Å; Y32-K35 PolarHBondContact O-N 3.2Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 2.85Å; K35-T38 WeakPolarHBondContact CA-OG1 3.37Å; K35-T38 PolarHBondContact O-OG1 3.35Å; K35-G39 PolarHBondContact O-N 3.5Å; K35-I302 HydrophobicContact CB-CG2 3.99Å; K35-I302 HydrophobicContact CG-CG2 4.19Å; K35-G305 PolarHBondContact NZ-O 2.8Å; K35-I306 HydrophobicContact CB-CD1 4.25Å; K35-I306 HydrophobicContact CB-CG1 3.92Å; K35-I306 HydrophobicContact CD-CG1 3.83Å; K35-I306 HydrophobicContact CG-CG1 4.42Å; K35-D309 VanDerWaalsContact NZ-CG 3.29Å; K35-D309 IonicContact NZ-OD1 3.56Å; K35-D309 IonicContact NZ-OD2 2.61Å; K35-D309 PolarHBondContact NZ-OD2 3.14Å |
| 36 | C | 89.5 | Confident | 89.3 | Confident | 20 Ų | 20 | 53.3 Ų | 53.3 | 14% | 0.135 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 174.5 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | C21 Y32 L33 S40 | C21-C36 VanDerWaalsContact CA-SG 3.52Å; C21-C36 HydrophobicContact CB-CB 4.04Å; C21-C36 WeakPolarHBondContact CB-SG 3.25Å; C21-C36 VanDerWaalsContact SG-CA 3.56Å; C21-C36 WeakPolarHBondContact SG-CB 3.17Å; C21-C36 CovalentContact SG-SG 2.04Å; C21-C36 PolarHBondContact SG-SG 2.96Å; Y32-C36 WeakPolarHBondContact O-CB 3.35Å; Y32-C36 PolarHBondContact O-N 2.97Å; L33-C36 PolarHBondContact O-N 3.34Å; C36-S40 WeakPolarHBondContact O-CB 3.4Å; C36-S40 PolarHBondContact O-N 3.15Å; C36-S40 PolarHBondContact O-OG 2.85Å |
| 37 | I | 91.9 | Very high | 90 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.4 | -49.2 | 178.6 | -68.5 | 167.7 | 0 | 0 | 0 | 110.9 | L33 T34 S40 T41 | L33-I37 HydrophobicContact CD1-CD1 4Å; L33-I37 HydrophobicContact CD1-CG1 4.32Å; L33-I37 HydrophobicContact CG-CD1 3.89Å; L33-I37 WeakPolarHBondContact O-CG1 3.38Å; L33-I37 PolarHBondContact O-N 3.45Å; T34-I37 PolarHBondContact O-N 3.17Å; I37-S40 PolarHBondContact O-N 3.3Å; I37-T41 VanDerWaalsContact O-CB 3.3Å; I37-T41 WeakPolarHBondContact O-CB 3.33Å; I37-T41 PolarHBondContact O-N 2.85Å; I37-T41 PolarHBondContact O-OG1 3.29Å |
| 38 | T | 92.1 | Very high | 90.6 | Very high | 24 Ų | 24 | 47 Ų | 47 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -43 | -178.7 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | T34 K35 T41 L42 I306 I310 | T34-T38 WeakPolarHBondContact O-CB 3.26Å; T34-T38 WeakPolarHBondContact O-CG2 3.08Å; T34-T38 PolarHBondContact O-N 3.29Å; T34-T38 PolarHBondContact O-OG1 2.98Å; K35-T38 WeakPolarHBondContact CA-OG1 3.37Å; K35-T38 PolarHBondContact O-OG1 3.35Å; T38-T41 PolarHBondContact O-N 3.11Å; T38-L42 WeakPolarHBondContact O-CB 3.36Å; T38-L42 PolarHBondContact O-N 2.92Å; T38-I306 HydrophobicContact CG2-CG2 4.16Å; T38-I310 HydrophobicContact CG2-CD1 4.37Å; T38-I310 HydrophobicContact CG2-CG1 4.03Å |
| 39 | G | 90 | Very high | 91.1 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K35 L42 G43 D309 | K35-G39 PolarHBondContact O-N 3.5Å; G39-L42 PolarHBondContact O-N 3.22Å; G39-G43 PolarHBondContact O-N 3.41Å; G39-D309 WeakPolarHBondContact CA-OD2 3.45Å |
| 40 | S | 90.5 | Very high | 91.3 | Very high | 26 Ų | 26 | 39 Ų | 39 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 177.3 | -63 | 0 | 0 | 0 | 0 | 111.8 | C36 I37 L42 G43 V44 | C36-S40 WeakPolarHBondContact O-CB 3.4Å; C36-S40 PolarHBondContact O-N 3.15Å; C36-S40 PolarHBondContact O-OG 2.85Å; I37-S40 PolarHBondContact O-N 3.3Å; S40-L42 PolarHBondContact O-N 3.11Å; S40-G43 WeakPolarHBondContact O-CA 3.32Å; S40-G43 PolarHBondContact O-N 2.79Å; S40-G43 VanDerWaalsContact O-N 3.14Å; S40-V44 WeakPolarHBondContact O-CG2 3.35Å; S40-V44 PolarHBondContact O-N 2.88Å |
| 41 | T | 93.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 34.1 Ų | 34.1 | 31% | 0.307 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60 | -47.3 | 176.3 | -58 | 0 | 0 | 0 | 0 | 110.6 | I37 T38 G43 V44 F45 L313 | I37-T41 VanDerWaalsContact O-CB 3.3Å; I37-T41 WeakPolarHBondContact O-CB 3.33Å; I37-T41 PolarHBondContact O-N 2.85Å; I37-T41 PolarHBondContact O-OG1 3.29Å; T38-T41 PolarHBondContact O-N 3.11Å; T41-G43 VanDerWaalsContact C-N 3.29Å; T41-G43 PolarHBondContact O-N 3.47Å; T41-V44 PolarHBondContact O-N 3.34Å; T41-F45 HydrophobicContact CG2-CD2 3.91Å; T41-F45 HydrophobicContact CG2-CE2 4.09Å; T41-F45 WeakPolarHBondContact O-CB 3.32Å; T41-F45 WeakPolarHBondContact O-CD2 3.36Å; T41-F45 PolarHBondContact O-N 2.97Å; T41-L313 HydrophobicContact CG2-CD1 4.2Å; T41-L313 HydrophobicContact CG2-CD2 3.92Å |
| 42 | L | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 175.1 | 178.4 | 62.7 | 0 | 0 | 0 | 111.7 | T38 G39 S40 S46 D309 H312 L313 | T38-L42 WeakPolarHBondContact O-CB 3.36Å; T38-L42 PolarHBondContact O-N 2.92Å; G39-L42 PolarHBondContact O-N 3.22Å; S40-L42 PolarHBondContact O-N 3.11Å; L42-S46 VanDerWaalsContact O-CB 3.22Å; L42-S46 WeakPolarHBondContact O-CB 3.22Å; L42-S46 PolarHBondContact O-N 3.2Å; L42-S46 PolarHBondContact O-OG 3.45Å; L42-D309 HydrophobicContact CD2-CB 4.1Å; L42-H312 HydrophobicContact CD1-CB 3.83Å; L42-H312 HydrophobicContact CD2-CB 3.88Å; L42-L313 HydrophobicContact CD1-CB 4.35Å |
| 43 | G | 91.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.9 | -51.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G39 S40 T41 F45 S46 A47 Y109 | G39-G43 PolarHBondContact O-N 3.41Å; S40-G43 WeakPolarHBondContact O-CA 3.32Å; S40-G43 PolarHBondContact O-N 2.79Å; S40-G43 VanDerWaalsContact O-N 3.14Å; T41-G43 VanDerWaalsContact C-N 3.29Å; T41-G43 PolarHBondContact O-N 3.47Å; G43-F45 PolarHBondContact O-N 3.42Å; G43-S46 PolarHBondContact O-N 2.92Å; G43-A47 WeakPolarHBondContact O-CB 3.09Å; G43-A47 PolarHBondContact O-N 3.38Å; G43-Y109 VanDerWaalsContact C-CD1 3.46Å |
| 44 | V | 93.2 | Very high | 91.7 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 32% | 0.315 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | S40 T41 A47 Y48 I49 Y109 | S40-V44 WeakPolarHBondContact O-CG2 3.35Å; S40-V44 PolarHBondContact O-N 2.88Å; T41-V44 PolarHBondContact O-N 3.34Å; V44-A47 PolarHBondContact O-N 2.95Å; V44-Y48 HydrophobicContact CG1-CD2 4.36Å; V44-Y48 PolarHBondContact O-N 2.89Å; V44-I49 HydrophobicContact CG1-CD1 4.39Å; V44-Y109 HydrophobicContact CB-CE1 4.35Å; V44-Y109 HydrophobicContact CG2-CE1 3.56Å; V44-Y109 VanDerWaalsContact CG2-OH 3.3Å; V44-Y109 WeakPolarHBondContact CG2-OH 3.3Å |
| 45 | F | 94.1 | Very high | 91.7 | Very high | 49 Ų | 49 | 37 Ų | 37 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -61 | -49.2 | 179.3 | -94.5 | -96.6 | 0 | 0 | 0 | 111 | T41 G43 A47 I49 F50 L313 L317 | T41-F45 HydrophobicContact CG2-CD2 3.91Å; T41-F45 HydrophobicContact CG2-CE2 4.09Å; T41-F45 WeakPolarHBondContact O-CB 3.32Å; T41-F45 WeakPolarHBondContact O-CD2 3.36Å; T41-F45 PolarHBondContact O-N 2.97Å; G43-F45 PolarHBondContact O-N 3.42Å; F45-A47 VanDerWaalsContact C-N 3.33Å; F45-A47 PolarHBondContact O-N 3.34Å; F45-I49 HydrophobicContact CD1-CB 4.08Å; F45-I49 HydrophobicContact CD1-CD1 3.91Å; F45-I49 HydrophobicContact CD1-CG2 3.99Å; F45-I49 HydrophobicContact CD2-CD1 3.91Å; F45-I49 HydrophobicContact CE1-CD1 3.84Å; F45-I49 HydrophobicContact CE1-CG2 4.06Å; F45-I49 HydrophobicContact CE2-CD1 3.85Å; F45-I49 HydrophobicContact CG-CB 4.48Å; F45-I49 HydrophobicContact CG-CD1 3.95Å; F45-I49 HydrophobicContact CZ-CD1 3.82Å; F45-I49 PolarHBondContact O-N 3.41Å; F45-F50 WeakPolarHBondContact O-CB 3.31Å; F45-F50 PolarHBondContact O-N 3.39Å; F45-L313 HydrophobicContact CB-CD1 3.8Å; F45-L313 HydrophobicContact CD1-CD1 4.06Å; F45-L313 HydrophobicContact CD2-CD1 3.7Å; F45-L313 HydrophobicContact CE2-CD1 4.27Å; F45-L313 HydrophobicContact CG-CD1 3.57Å; F45-L317 HydrophobicContact CD1-CD2 4.48Å; F45-L317 HydrophobicContact CE1-CD2 3.73Å; F45-L317 HydrophobicContact CZ-CD2 4.26Å |
| 46 | S | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -66.9 | -33.3 | -177.9 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | L42 G43 F102 | L42-S46 VanDerWaalsContact O-CB 3.22Å; L42-S46 WeakPolarHBondContact O-CB 3.22Å; L42-S46 PolarHBondContact O-N 3.2Å; L42-S46 PolarHBondContact O-OG 3.45Å; G43-S46 PolarHBondContact O-N 2.92Å; S46-F102 WeakPolarHBondContact O-CD2 3.33Å |
| 47 | A | 92.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 39 Ų | 39 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -83.3 | -40.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G43 V44 F45 G106 Y109 A110 | G43-A47 WeakPolarHBondContact O-CB 3.09Å; G43-A47 PolarHBondContact O-N 3.38Å; V44-A47 PolarHBondContact O-N 2.95Å; F45-A47 VanDerWaalsContact C-N 3.33Å; F45-A47 PolarHBondContact O-N 3.34Å; A47-G106 WeakPolarHBondContact CB-O 3.45Å; A47-Y109 HydrophobicContact CB-CD1 4.1Å; A47-A110 HydrophobicContact CB-CB 4.24Å |
| 48 | Y | 94.2 | Very high | 91.5 | Very high | 122 Ų | 122 | 36.7 Ų | 36.7 | 48% | 0.478 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -121.9 | -39.1 | -165.3 | -55.2 | -61.3 | 0 | 0 | 0 | 113.6 | V44 I52 Y109 A110 | V44-Y48 HydrophobicContact CG1-CD2 4.36Å; V44-Y48 PolarHBondContact O-N 2.89Å; Y48-I52 WeakPolarHBondContact O-CD1 3.42Å; Y48-I52 WeakPolarHBondContact O-CG1 3.15Å; Y48-Y109 HydrophobicContact CE2-CD1 4.04Å; Y48-Y109 AromaticContact CE2-CE1 3.94Å; Y48-Y109 HydrophobicContact CE2-CE1 3.94Å; Y48-A110 HydrophobicContact CE1-CB 4.33Å |
| 49 | I | 92.9 | Very high | 91.3 | Very high | 49 Ų | 49 | 40.5 Ų | 40.5 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -85.7 | -58.5 | -175.4 | -59 | 175.8 | 0 | 0 | 0 | 109.8 | V44 F45 P51 I52 F53 | V44-I49 HydrophobicContact CG1-CD1 4.39Å; F45-I49 HydrophobicContact CD1-CB 4.08Å; F45-I49 HydrophobicContact CD1-CD1 3.91Å; F45-I49 HydrophobicContact CD1-CG2 3.99Å; F45-I49 HydrophobicContact CD2-CD1 3.91Å; F45-I49 HydrophobicContact CE1-CD1 3.84Å; F45-I49 HydrophobicContact CE1-CG2 4.06Å; F45-I49 HydrophobicContact CE2-CD1 3.85Å; F45-I49 HydrophobicContact CG-CB 4.48Å; F45-I49 HydrophobicContact CG-CD1 3.95Å; F45-I49 HydrophobicContact CZ-CD1 3.82Å; F45-I49 PolarHBondContact O-N 3.41Å; I49-P51 VanDerWaalsContact C-CD 3.5Å; I49-I52 PolarHBondContact O-N 2.92Å; I49-I52 VanDerWaalsContact O-N 3.12Å; I49-F53 HydrophobicContact CG2-CD2 3.67Å; I49-F53 HydrophobicContact CG2-CE2 3.71Å; I49-F53 WeakPolarHBondContact O-CD2 3.11Å; I49-F53 PolarHBondContact O-N 3.42Å |
| 50 | F | 91.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -49.1 | -48.3 | -177.5 | 166.5 | -93.9 | 0 | 0 | 0 | 112.8 | F45 I52 F53 A54 F102 S319 | F45-F50 WeakPolarHBondContact O-CB 3.31Å; F45-F50 PolarHBondContact O-N 3.39Å; F50-I52 VanDerWaalsContact C-N 3.3Å; F50-I52 PolarHBondContact O-N 3.41Å; F50-F53 PolarHBondContact O-N 3.29Å; F50-A54 HydrophobicContact CD1-CB 4.45Å; F50-A54 HydrophobicContact CD2-CB 4.23Å; F50-A54 HydrophobicContact CE1-CB 3.85Å; F50-A54 HydrophobicContact CE2-CB 3.61Å; F50-A54 HydrophobicContact CZ-CB 3.33Å; F50-A54 WeakPolarHBondContact O-CB 3.4Å; F50-A54 PolarHBondContact O-N 3.43Å; F50-F102 HydrophobicContact CD1-CB 4.45Å; F50-F102 HydrophobicContact CE1-CB 4.33Å; F50-S319 WeakPolarHBondContact CE2-OG 3.28Å |
| 51 | P | 92.5 | Very high | 90.9 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -38.4 | -177.8 | -27.5 | 38.3 | 0 | 0 | 0 | 113.6 | I49 I55 W98 F102 | I49-P51 VanDerWaalsContact C-CD 3.5Å; P51-I55 WeakPolarHBondContact O-CB 3.44Å; P51-I55 WeakPolarHBondContact O-CD1 3.26Å; P51-I55 VanDerWaalsContact O-CG1 3.23Å; P51-I55 WeakPolarHBondContact O-CG1 3.27Å; P51-I55 PolarHBondContact O-N 2.78Å; P51-W98 HydrophobicContact CB-CH2 4Å; P51-W98 HydrophobicContact CB-CZ2 4.35Å; P51-F102 HydrophobicContact CB-CE2 4.47Å; P51-F102 HydrophobicContact CG-CD2 3.53Å; P51-F102 HydrophobicContact CG-CE2 3.61Å |
| 52 | I | 91.9 | Very high | 90.7 | Very high | 104 Ų | 104 | 41.3 Ų | 41.3 | 53% | 0.533 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.8 | -51.9 | 178.9 | -60.4 | 172.9 | 0 | 0 | 0 | 109.7 | Y48 I49 F50 A54 I55 I56 | Y48-I52 WeakPolarHBondContact O-CD1 3.42Å; Y48-I52 WeakPolarHBondContact O-CG1 3.15Å; I49-I52 PolarHBondContact O-N 2.92Å; I49-I52 VanDerWaalsContact O-N 3.12Å; F50-I52 VanDerWaalsContact C-N 3.3Å; F50-I52 PolarHBondContact O-N 3.41Å; I52-A54 PolarHBondContact O-N 2.84Å; I52-I55 PolarHBondContact O-N 3.37Å; I52-I56 HydrophobicContact CG2-CD1 4.19Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 3.42Å |
| 53 | F | 90.4 | Very high | 90.4 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 27% | 0.272 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.5 | -37.8 | -179.2 | -76.3 | -90.5 | 0 | 0 | 0 | 112.2 | I49 F50 I56 A57 V320 I323 | I49-F53 HydrophobicContact CG2-CD2 3.67Å; I49-F53 HydrophobicContact CG2-CE2 3.71Å; I49-F53 WeakPolarHBondContact O-CD2 3.11Å; I49-F53 PolarHBondContact O-N 3.42Å; F50-F53 PolarHBondContact O-N 3.29Å; F53-I56 PolarHBondContact O-N 3.25Å; F53-A57 WeakPolarHBondContact O-CB 3.42Å; F53-A57 PolarHBondContact O-N 3.4Å; F53-V320 HydrophobicContact CB-CG2 4.15Å; F53-V320 HydrophobicContact CD1-CB 4.16Å; F53-V320 HydrophobicContact CD1-CG1 3.9Å; F53-V320 HydrophobicContact CD1-CG2 3.96Å; F53-V320 HydrophobicContact CD2-CG2 4.07Å; F53-V320 HydrophobicContact CE1-CG1 3.83Å; F53-V320 HydrophobicContact CE1-CG2 4.45Å; F53-V320 HydrophobicContact CG-CB 4.47Å; F53-V320 HydrophobicContact CG-CG2 3.79Å; F53-V320 HydrophobicContact CZ-CG1 4.39Å; F53-I323 HydrophobicContact CD1-CD1 3.21Å; F53-I323 HydrophobicContact CD1-CG1 3.98Å; F53-I323 HydrophobicContact CE1-CD1 3.57Å; F53-I323 HydrophobicContact CG-CD1 4.31Å |
| 54 | A | 89.2 | Confident | 90 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.3 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F50 I52 A57 L58 W98 | F50-A54 HydrophobicContact CD1-CB 4.45Å; F50-A54 HydrophobicContact CD2-CB 4.23Å; F50-A54 HydrophobicContact CE1-CB 3.85Å; F50-A54 HydrophobicContact CE2-CB 3.61Å; F50-A54 HydrophobicContact CZ-CB 3.33Å; F50-A54 WeakPolarHBondContact O-CB 3.4Å; F50-A54 PolarHBondContact O-N 3.43Å; I52-A54 PolarHBondContact O-N 2.84Å; A54-A57 PolarHBondContact O-N 2.84Å; A54-L58 WeakPolarHBondContact O-CB 3.42Å; A54-L58 VanDerWaalsContact O-CG 3.27Å; A54-L58 WeakPolarHBondContact O-CG 3.26Å; A54-L58 PolarHBondContact O-N 3.11Å; A54-W98 HydrophobicContact CB-CZ2 4.37Å |
| 55 | I | 91 | Very high | 89.8 | Confident | 84 Ų | 84 | 43.2 Ų | 43.2 | 43% | 0.431 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.9 | -47.4 | 172.3 | -72.3 | 166.4 | 0 | 0 | 0 | 109.9 | P51 I52 A57 L58 I59 W98 | P51-I55 WeakPolarHBondContact O-CB 3.44Å; P51-I55 WeakPolarHBondContact O-CD1 3.26Å; P51-I55 VanDerWaalsContact O-CG1 3.23Å; P51-I55 WeakPolarHBondContact O-CG1 3.27Å; P51-I55 PolarHBondContact O-N 2.78Å; I52-I55 PolarHBondContact O-N 3.37Å; I55-A57 PolarHBondContact O-N 3.47Å; I55-L58 PolarHBondContact O-N 2.8Å; I55-I59 HydrophobicContact CG2-CD1 3.68Å; I55-I59 HydrophobicContact CG2-CG1 4.42Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.04Å; I55-I59 PolarHBondContact O-N 3Å; I55-W98 HydrophobicContact CD1-CH2 4.41Å; I55-W98 HydrophobicContact CD1-CZ2 4.33Å; I55-W98 HydrophobicContact CG1-CH2 4.36Å; I55-W98 HydrophobicContact CG1-CZ2 3.8Å |
| 56 | I | 89.3 | Confident | 89.4 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 178.2 | -66.3 | 167.5 | 0 | 0 | 0 | 109.9 | I52 F53 L58 I59 T60 I323 | I52-I56 HydrophobicContact CG2-CD1 4.19Å; I52-I56 WeakPolarHBondContact O-CG1 3.47Å; I52-I56 PolarHBondContact O-N 3.42Å; F53-I56 PolarHBondContact O-N 3.25Å; I56-L58 PolarHBondContact O-N 2.81Å; I56-I59 PolarHBondContact O-N 3.3Å; I56-T60 HydrophobicContact CG2-CG2 4.27Å; I56-T60 WeakPolarHBondContact O-CB 3.44Å; I56-T60 VanDerWaalsContact O-CG2 3.3Å; I56-T60 WeakPolarHBondContact O-CG2 3.31Å; I56-T60 PolarHBondContact O-N 2.79Å; I56-T60 PolarHBondContact O-OG1 2.71Å; I56-I323 HydrophobicContact CB-CD1 4.41Å; I56-I323 HydrophobicContact CD1-CD1 4.45Å; I56-I323 HydrophobicContact CG2-CD1 3.93Å; I56-I323 HydrophobicContact CG2-CG1 4.45Å |
| 57 | A | 87.8 | Confident | 89 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F53 A54 I55 T60 N61 E322 | F53-A57 WeakPolarHBondContact O-CB 3.42Å; F53-A57 PolarHBondContact O-N 3.4Å; A54-A57 PolarHBondContact O-N 2.84Å; I55-A57 PolarHBondContact O-N 3.47Å; A57-T60 WeakPolarHBondContact CA-OG1 3.46Å; A57-T60 PolarHBondContact O-N 3.05Å; A57-T60 PolarHBondContact O-OG1 3.03Å; A57-N61 WeakPolarHBondContact O-CB 3.35Å; A57-N61 PolarHBondContact O-N 2.84Å; A57-N61 PolarHBondContact O-ND2 3.26Å; A57-E322 HydrophobicContact CB-CB 4.39Å |
| 58 | L | 88.8 | Confident | 88.6 | Confident | 45 Ų | 45 | 47.5 Ų | 47.5 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 177.7 | -75.5 | 174.5 | 0 | 0 | 0 | 112.2 | A54 I55 I56 S62 | A54-L58 WeakPolarHBondContact O-CB 3.42Å; A54-L58 VanDerWaalsContact O-CG 3.27Å; A54-L58 WeakPolarHBondContact O-CG 3.26Å; A54-L58 PolarHBondContact O-N 3.11Å; I55-L58 PolarHBondContact O-N 2.8Å; I56-L58 PolarHBondContact O-N 2.81Å; L58-S62 VanDerWaalsContact O-CB 3.25Å; L58-S62 WeakPolarHBondContact O-CB 3.12Å; L58-S62 PolarHBondContact O-N 3.29Å; L58-S62 PolarHBondContact O-OG 3.25Å |
| 59 | I | 88.3 | Confident | 88.3 | Confident | 103 Ų | 103 | 46.4 Ų | 46.4 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -49.5 | 177 | -68.6 | 169.2 | 0 | 0 | 0 | 109.8 | I55 I56 S62 V63 | I55-I59 HydrophobicContact CG2-CD1 3.68Å; I55-I59 HydrophobicContact CG2-CG1 4.42Å; I55-I59 VanDerWaalsContact O-CG1 3.29Å; I55-I59 WeakPolarHBondContact O-CG1 3.04Å; I55-I59 PolarHBondContact O-N 3Å; I56-I59 PolarHBondContact O-N 3.3Å; I59-S62 PolarHBondContact O-N 2.92Å; I59-V63 WeakPolarHBondContact O-CG2 2.89Å; I59-V63 PolarHBondContact O-N 2.99Å |
| 60 | T | 84.3 | Confident | 87.9 | Confident | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -46.6 | -177.5 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | I56 A57 S62 V63 F64 F326 | I56-T60 HydrophobicContact CG2-CG2 4.27Å; I56-T60 WeakPolarHBondContact O-CB 3.44Å; I56-T60 VanDerWaalsContact O-CG2 3.3Å; I56-T60 WeakPolarHBondContact O-CG2 3.31Å; I56-T60 PolarHBondContact O-N 2.79Å; I56-T60 PolarHBondContact O-OG1 2.71Å; A57-T60 WeakPolarHBondContact CA-OG1 3.46Å; A57-T60 PolarHBondContact O-N 3.05Å; A57-T60 PolarHBondContact O-OG1 3.03Å; T60-S62 VanDerWaalsContact C-N 3.28Å; T60-S62 PolarHBondContact O-N 3.48Å; T60-V63 PolarHBondContact O-N 3.36Å; T60-V63 VanDerWaalsContact O-N 3.17Å; T60-F64 WeakPolarHBondContact O-CD2 3.47Å; T60-F64 PolarHBondContact O-N 2.88Å; T60-F326 HydrophobicContact CG2-CD2 3.41Å; T60-F326 VanDerWaalsContact CG2-CD2 3.41Å; T60-F326 HydrophobicContact CG2-CE2 3.63Å; T60-F326 HydrophobicContact CG2-CG 4Å; T60-F326 HydrophobicContact CG2-CZ 4.35Å |
| 61 | N | 87.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 176 | -70.6 | -13.5 | 0 | 0 | 0 | 110.7 | A57 V63 F64 I65 L86 E322 | A57-N61 WeakPolarHBondContact O-CB 3.35Å; A57-N61 PolarHBondContact O-N 2.84Å; A57-N61 PolarHBondContact O-ND2 3.26Å; N61-V63 PolarHBondContact O-N 3.45Å; N61-F64 PolarHBondContact O-N 3.33Å; N61-I65 WeakPolarHBondContact O-CB 3.22Å; N61-I65 WeakPolarHBondContact O-CD1 3.47Å; N61-I65 WeakPolarHBondContact O-CG1 3.31Å; N61-I65 PolarHBondContact O-N 3.21Å; N61-L86 WeakPolarHBondContact OD1-CD2 3.43Å; N61-E322 PolarHBondContact ND2-OE2 2.87Å |
| 62 | S | 88 | Confident | 86.9 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 51% | 0.51 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | L58 I59 T60 I65 Y66 | L58-S62 VanDerWaalsContact O-CB 3.25Å; L58-S62 WeakPolarHBondContact O-CB 3.12Å; L58-S62 PolarHBondContact O-N 3.29Å; L58-S62 PolarHBondContact O-OG 3.25Å; I59-S62 PolarHBondContact O-N 2.92Å; T60-S62 VanDerWaalsContact C-N 3.28Å; T60-S62 PolarHBondContact O-N 3.48Å; S62-I65 PolarHBondContact O-N 3.15Å; S62-Y66 WeakPolarHBondContact O-CB 3.31Å; S62-Y66 PolarHBondContact O-N 2.87Å |
| 63 | V | 85.9 | Confident | 86.3 | Confident | 52 Ų | 52 | 62 Ų | 62 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | I59 T60 N61 I65 Y66 V67 L336 L340 | I59-V63 WeakPolarHBondContact O-CG2 2.89Å; I59-V63 PolarHBondContact O-N 2.99Å; T60-V63 PolarHBondContact O-N 3.36Å; T60-V63 VanDerWaalsContact O-N 3.17Å; N61-V63 PolarHBondContact O-N 3.45Å; V63-I65 PolarHBondContact O-N 3.45Å; V63-Y66 WeakPolarHBondContact O-CB 3.29Å; V63-Y66 PolarHBondContact O-N 2.89Å; V63-V67 HydrophobicContact CG1-CG2 4.32Å; V63-V67 VanDerWaalsContact O-CG2 3.26Å; V63-V67 WeakPolarHBondContact O-CG2 3.35Å; V63-V67 PolarHBondContact O-N 3.21Å; V63-L336 HydrophobicContact CG1-CD1 4.07Å; V63-L340 HydrophobicContact CG1-CD2 4.27Å |
| 64 | F | 84.3 | Confident | 85.6 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57 | -50.3 | 177.2 | -80.8 | -69.8 | 0 | 0 | 0 | 112.1 | T60 N61 Y66 V67 F68 L86 F326 Y329 L336 | T60-F64 WeakPolarHBondContact O-CD2 3.47Å; T60-F64 PolarHBondContact O-N 2.88Å; N61-F64 PolarHBondContact O-N 3.33Å; F64-Y66 VanDerWaalsContact C-N 3.27Å; F64-Y66 PolarHBondContact O-N 2.79Å; F64-V67 PolarHBondContact O-N 3.39Å; F64-V67 VanDerWaalsContact O-N 3.15Å; F64-F68 HydrophobicContact CB-CD2 4.15Å; F64-F68 HydrophobicContact CB-CE2 4.05Å; F64-F68 HydrophobicContact CD1-CE2 4.03Å; F64-F68 HydrophobicContact CG-CE2 4.44Å; F64-F68 WeakPolarHBondContact O-CB 3.39Å; F64-F68 WeakPolarHBondContact O-CD2 3.33Å; F64-F68 WeakPolarHBondContact O-CG 3.4Å; F64-F68 PolarHBondContact O-N 3.44Å; F64-L86 HydrophobicContact CB-CD1 3.91Å; F64-L86 HydrophobicContact CG-CD1 4.2Å; F64-F326 HydrophobicContact CE2-CB 4.17Å; F64-F326 AromaticContact CE2-CD2 3.44Å; F64-F326 HydrophobicContact CE2-CD2 3.44Å; F64-F326 VanDerWaalsContact CE2-CD2 3.44Å; F64-F326 HydrophobicContact CE2-CE2 4.26Å; F64-F326 HydrophobicContact CE2-CG 4.24Å; F64-F326 AromaticContact CZ-CD2 3.67Å; F64-F326 HydrophobicContact CZ-CD2 3.67Å; F64-F326 HydrophobicContact CZ-CE2 4.26Å; F64-F326 HydrophobicContact CZ-CG 4.45Å; F64-Y329 HydrophobicContact CE1-CD2 4.24Å; F64-Y329 HydrophobicContact CE1-CG 4.05Å; F64-Y329 HydrophobicContact CE2-CD2 4.07Å; F64-Y329 AromaticContact CZ-CD2 3.96Å; F64-Y329 HydrophobicContact CZ-CD2 3.96Å; F64-Y329 HydrophobicContact CZ-CG 4.07Å; F64-L336 HydrophobicContact CD1-CD1 4.43Å; F64-L336 HydrophobicContact CD1-CD2 3.53Å; F64-L336 HydrophobicContact CE1-CD2 2.92Å; F64-L336 HydrophobicContact CE1-CG 4.27Å; F64-L336 HydrophobicContact CZ-CD2 3.58Å |
| 65 | I | 87.5 | Confident | 85.3 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.4 | -47.7 | 179.7 | -71.5 | 164.2 | 0 | 0 | 0 | 109.5 | N61 S62 V63 V67 F68 F69 L83 I87 | N61-I65 WeakPolarHBondContact O-CB 3.22Å; N61-I65 WeakPolarHBondContact O-CD1 3.47Å; N61-I65 WeakPolarHBondContact O-CG1 3.31Å; N61-I65 PolarHBondContact O-N 3.21Å; S62-I65 PolarHBondContact O-N 3.15Å; V63-I65 PolarHBondContact O-N 3.45Å; I65-V67 PolarHBondContact O-N 3.32Å; I65-F68 PolarHBondContact O-N 2.95Å; I65-F69 HydrophobicContact CG2-CD2 3.61Å; I65-F69 HydrophobicContact CG2-CE2 3.49Å; I65-F69 VanDerWaalsContact CG2-CE2 3.49Å; I65-F69 WeakPolarHBondContact O-CD2 3.17Å; I65-F69 PolarHBondContact O-N 3.04Å; I65-L83 HydrophobicContact CB-CD1 4.24Å; I65-L83 HydrophobicContact CG1-CD1 3.87Å; I65-L83 HydrophobicContact CG2-CD1 4.35Å; I65-I87 HydrophobicContact CD1-CG1 3.69Å; I65-I87 HydrophobicContact CG1-CG1 3.87Å |
| 66 | Y | 87.1 | Confident | 84.9 | Confident | 142 Ų | 142 | 61.9 Ų | 61.9 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.6 | -48 | 176.3 | 175.3 | -99.4 | 0 | 0 | 0 | 112.8 | S62 V63 F64 F68 F69 K70 | S62-Y66 WeakPolarHBondContact O-CB 3.31Å; S62-Y66 PolarHBondContact O-N 2.87Å; V63-Y66 WeakPolarHBondContact O-CB 3.29Å; V63-Y66 PolarHBondContact O-N 2.89Å; F64-Y66 VanDerWaalsContact C-N 3.27Å; F64-Y66 PolarHBondContact O-N 2.79Å; Y66-F68 PolarHBondContact O-N 3.31Å; Y66-F69 PolarHBondContact O-N 3.11Å; Y66-K70 PolarHBondContact O-N 3.43Å |
| 67 | V | 84.2 | Confident | 84.8 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.6 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | V63 F64 I65 F69 K70 K71 F333 L336 L339 | V63-V67 HydrophobicContact CG1-CG2 4.32Å; V63-V67 VanDerWaalsContact O-CG2 3.26Å; V63-V67 WeakPolarHBondContact O-CG2 3.35Å; V63-V67 PolarHBondContact O-N 3.21Å; F64-V67 PolarHBondContact O-N 3.39Å; F64-V67 VanDerWaalsContact O-N 3.15Å; I65-V67 PolarHBondContact O-N 3.32Å; V67-F69 VanDerWaalsContact C-N 3.35Å; V67-F69 PolarHBondContact O-N 3.1Å; V67-K70 PolarHBondContact O-N 3.21Å; V67-K71 PolarHBondContact O-N 3.31Å; V67-F333 HydrophobicContact CG1-CD1 4.38Å; V67-F333 HydrophobicContact CG1-CE1 3.68Å; V67-L336 HydrophobicContact CB-CD1 4.41Å; V67-L336 HydrophobicContact CG2-CD1 3.71Å; V67-L339 HydrophobicContact CB-CD2 4.48Å; V67-L339 HydrophobicContact CG2-CD2 3.2Å |
| 68 | F | 84.6 | Confident | 84.7 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 179.4 | -77.3 | -56.5 | 0 | 0 | 0 | 111.8 | F64 I65 Y66 K71 R72 M75 M79 L83 L86 F333 | F64-F68 HydrophobicContact CB-CD2 4.15Å; F64-F68 HydrophobicContact CB-CE2 4.05Å; F64-F68 HydrophobicContact CD1-CE2 4.03Å; F64-F68 HydrophobicContact CG-CE2 4.44Å; F64-F68 WeakPolarHBondContact O-CB 3.39Å; F64-F68 WeakPolarHBondContact O-CD2 3.33Å; F64-F68 WeakPolarHBondContact O-CG 3.4Å; F64-F68 PolarHBondContact O-N 3.44Å; I65-F68 PolarHBondContact O-N 2.95Å; Y66-F68 PolarHBondContact O-N 3.31Å; F68-K71 CarbonylContact O-C 3.58Å; F68-K71 PolarHBondContact O-N 2.94Å; F68-R72 WeakPolarHBondContact O-CA 3.23Å; F68-R72 PolarHBondContact O-N 3.2Å; F68-M75 HydrophobicContact CB-SD 4.13Å; F68-M75 HydrophobicContact CD1-SD 3.44Å; F68-M75 WeakPolarHBondContact CD1-SD 3.5Å; F68-M75 HydrophobicContact CE1-SD 4.15Å; F68-M75 HydrophobicContact CG-SD 4.09Å; F68-M79 HydrophobicContact CD1-CB 4.44Å; F68-M79 HydrophobicContact CE1-CB 3.86Å; F68-M79 HydrophobicContact CE1-CE 3.93Å; F68-M79 HydrophobicContact CE1-CG 3.94Å; F68-M79 HydrophobicContact CE1-SD 3.82Å; F68-M79 HydrophobicContact CZ-CE 4.05Å; F68-M79 HydrophobicContact CZ-SD 3.89Å; F68-L83 HydrophobicContact CB-CD1 3.85Å; F68-L83 HydrophobicContact CB-CD2 4.02Å; F68-L83 HydrophobicContact CB-CG 4.37Å; F68-L83 HydrophobicContact CD2-CB 4.27Å; F68-L83 HydrophobicContact CD2-CD1 3.9Å; F68-L83 HydrophobicContact CG-CB 4.43Å; F68-L83 HydrophobicContact CG-CD1 4.21Å; F68-L86 HydrophobicContact CD2-CD1 4.41Å; F68-L86 HydrophobicContact CE2-CD1 3.8Å; F68-F333 HydrophobicContact CE1-CE2 4.35Å |
| 69 | F | 86.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 59.5 Ų | 59.5 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.5 | -82.4 | -62.2 | 0 | 0 | 0 | 112.3 | I65 Y66 V67 K71 R72 | I65-F69 HydrophobicContact CG2-CD2 3.61Å; I65-F69 HydrophobicContact CG2-CE2 3.49Å; I65-F69 VanDerWaalsContact CG2-CE2 3.49Å; I65-F69 WeakPolarHBondContact O-CD2 3.17Å; I65-F69 PolarHBondContact O-N 3.04Å; Y66-F69 PolarHBondContact O-N 3.11Å; V67-F69 VanDerWaalsContact C-N 3.35Å; V67-F69 PolarHBondContact O-N 3.1Å; F69-K71 VanDerWaalsContact C-N 3.27Å; F69-K71 PolarHBondContact O-N 3.41Å; F69-R72 WeakPolarHBondContact O-CB 3.43Å; F69-R72 PolarHBondContact O-N 3.1Å |
| 70 | K | 85.3 | Confident | 84.7 | Confident | 146 Ų | 146 | 54.6 Ų | 54.6 | 64% | 0.635 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.2 | -31.8 | 176 | -170.6 | 173.9 | -178.3 | 175.4 | 0 | 112.8 | Y66 V67 | Y66-K70 PolarHBondContact O-N 3.43Å; V67-K70 PolarHBondContact O-N 3.21Å |
| 71 | K | 82.2 | Confident | 85 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 34% | 0.339 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 24.8 | 179.6 | -62.2 | -159.1 | 178.7 | -145.8 | 0 | 114 | V67 F68 F69 S73 S74 M75 F333 P335 | V67-K71 PolarHBondContact O-N 3.31Å; F68-K71 CarbonylContact O-C 3.58Å; F68-K71 PolarHBondContact O-N 2.94Å; F69-K71 VanDerWaalsContact C-N 3.27Å; F69-K71 PolarHBondContact O-N 3.41Å; K71-S73 VanDerWaalsContact C-N 3.29Å; K71-S73 PolarHBondContact O-N 3.4Å; K71-S74 PolarHBondContact O-N 3.47Å; K71-S74 PolarHBondContact O-OG 3.02Å; K71-M75 PolarHBondContact O-N 2.83Å; K71-F333 HydrophobicContact CD-CE1 4.32Å; K71-F333 HydrophobicContact CD-CZ 4.06Å; K71-P335 HydrophobicContact CD-CB 4.13Å |
| 72 | R | 81.2 | Confident | 85.1 | Confident | 145 Ų | 145 | 54.1 Ų | 54.1 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -53.4 | -40.4 | -174.1 | -179.7 | 178.8 | 179.5 | 172.6 | 1.1 | 113.8 | F68 F69 S74 M75 | F68-R72 WeakPolarHBondContact O-CA 3.23Å; F68-R72 PolarHBondContact O-N 3.2Å; F69-R72 WeakPolarHBondContact O-CB 3.43Å; F69-R72 PolarHBondContact O-N 3.1Å; R72-S74 VanDerWaalsContact C-N 3.32Å; R72-S74 PolarHBondContact O-N 3.39Å; R72-M75 PolarHBondContact O-N 3.06Å |
| 73 | S | 78.4 | Confident | 85.2 | Confident | 126 Ų | 126 | 50.7 Ų | 50.7 | 88% | 0.881 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -66.7 | -30.6 | -175.9 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | K71 | K71-S73 VanDerWaalsContact C-N 3.29Å; K71-S73 PolarHBondContact O-N 3.4Å |
| 74 | S | 77.4 | Confident | 85.7 | Confident | 88 Ų | 88 | 48.3 Ų | 48.3 | 62% | 0.615 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -100.2 | 10.2 | -178 | 61 | 0 | 0 | 0 | 0 | 113.7 | K71 R72 P76 | K71-S74 PolarHBondContact O-N 3.47Å; K71-S74 PolarHBondContact O-OG 3.02Å; R72-S74 VanDerWaalsContact C-N 3.32Å; R72-S74 PolarHBondContact O-N 3.39Å; S74-P76 WeakPolarHBondContact O-CD 3.44Å |
| 75 | M | 82 | Confident | 86.1 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 4% | 0.044 | 24% | 0.237 | C | C | . | . | trans | -79 | 123.9 | -170.1 | -168 | 157.6 | 64 | 0 | 0 | 111.5 | F68 K71 R72 M79 I80 L83 S167 W171 | F68-M75 HydrophobicContact CB-SD 4.13Å; F68-M75 HydrophobicContact CD1-SD 3.44Å; F68-M75 WeakPolarHBondContact CD1-SD 3.5Å; F68-M75 HydrophobicContact CE1-SD 4.15Å; F68-M75 HydrophobicContact CG-SD 4.09Å; K71-M75 PolarHBondContact O-N 2.83Å; R72-M75 PolarHBondContact O-N 3.06Å; M75-M79 HydrophobicContact CG-CB 3.38Å; M75-M79 HydrophobicContact CG-CG 4.39Å; M75-M79 HydrophobicContact SD-CB 3.66Å; M75-I80 HydrophobicContact CE-CB 4.09Å; M75-I80 HydrophobicContact CE-CD1 4.44Å; M75-I80 HydrophobicContact CE-CG1 3.27Å; M75-I80 HydrophobicContact CG-CG1 4.1Å; M75-I80 HydrophobicContact SD-CG1 4.3Å; M75-L83 HydrophobicContact CE-CD2 3.87Å; M75-S167 WeakPolarHBondContact O-CB 3.45Å; M75-S167 PolarHBondContact O-OG 3.02Å; M75-W171 HydrophobicContact CE-CZ2 3.72Å | ||
| 76 | P | 83 | Confident | 86.3 | Confident | 47 Ų | 47 | 46.7 Ų | 46.7 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | trans | -72.1 | 155.6 | 172.4 | 32.4 | -36.7 | 0 | 0 | 0 | 110.7 | S74 H78 M79 I80 | S74-P76 WeakPolarHBondContact O-CD 3.44Å; P76-H78 VanDerWaalsContact CB-CE1 3.42Å; P76-H78 WeakPolarHBondContact CB-CE1 3.3Å; P76-H78 WeakPolarHBondContact CG-CE1 3.32Å; P76-H78 WeakPolarHBondContact CG-NE2 3.24Å; P76-H78 PolarHBondContact O-N 3.3Å; P76-M79 HydrophobicContact CG-CB 4.2Å; P76-M79 HydrophobicContact CG-CG 3.78Å; P76-M79 WeakPolarHBondContact O-CB 3.38Å; P76-M79 PolarHBondContact O-N 2.97Å; P76-I80 PolarHBondContact O-N 3.36Å | ||
| 77 | R | 87.3 | Confident | 86.7 | Confident | 39 Ų | 39 | 42.1 Ų | 42.1 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -47.9 | -49.2 | -176.6 | -72.6 | -177.8 | -67.3 | 158.3 | -8.5 | 115 | M79 I80 Y81 D151 F162 V165 A170 | R77-M79 PolarHBondContact O-N 3.35Å; R77-I80 WeakPolarHBondContact O-CB 3.47Å; R77-I80 PolarHBondContact O-N 2.92Å; R77-Y81 HydrophobicContact CB-CE2 4.33Å; R77-Y81 WeakPolarHBondContact O-CD2 3.37Å; R77-Y81 PolarHBondContact O-N 3Å; R77-D151 IonicContact NH1-OD1 3.73Å; R77-F162 VanDerWaalsContact NH1-CD1 3.3Å; R77-F162 PolarHBondContact NH2-O 3.16Å; R77-V165 WeakPolarHBondContact CD-O 3.4Å; R77-V165 PolarHBondContact NE-O 2.74Å; R77-V165 VanDerWaalsContact NE-O 3.16Å; R77-V165 VanDerWaalsContact NH1-CB 3.26Å; R77-V165 VanDerWaalsContact NH1-CG1 3.28Å; R77-A170 HydrophobicContact CB-CB 4.02Å; R77-A170 HydrophobicContact CG-CB 3.92Å |
| 78 | H | 84.7 | Confident | 87.2 | Confident | 28 Ų | 28 | 42 Ų | 42 | 13% | 0.13 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.8 | -33.5 | -179.1 | 61.2 | -92.7 | 0 | 0 | 0 | 112.9 | P76 I80 Y81 M82 I267 Y332 | P76-H78 VanDerWaalsContact CB-CE1 3.42Å; P76-H78 WeakPolarHBondContact CB-CE1 3.3Å; P76-H78 WeakPolarHBondContact CG-CE1 3.32Å; P76-H78 WeakPolarHBondContact CG-NE2 3.24Å; P76-H78 PolarHBondContact O-N 3.3Å; H78-I80 VanDerWaalsContact C-N 3.35Å; H78-Y81 PolarHBondContact O-N 3.21Å; H78-M82 VanDerWaalsContact O-CG 3.29Å; H78-M82 WeakPolarHBondContact O-CG 3.5Å; H78-M82 PolarHBondContact O-N 3.22Å; H78-I267 HydrophobicContact CB-CG2 4.37Å; H78-Y332 AromaticContact CD2-CE1 3.92Å; H78-Y332 PolarHBondContact CE1-OH 2.94Å; H78-Y332 VanDerWaalsContact CE1-OH 3.31Å; H78-Y332 AromaticContact NE2-CE1 3.4Å; H78-Y332 WeakPolarHBondContact NE2-CE1 3.38Å; H78-Y332 AromaticContact NE2-CZ 3.49Å; H78-Y332 PolarHBondContact NE2-OH 3.14Å |
| 79 | M | 85.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.8 | -28.3 | 177.2 | -71.5 | -50.5 | -143 | 0 | 0 | 112.7 | F68 M75 P76 R77 M82 L83 Y332 F333 | F68-M79 HydrophobicContact CD1-CB 4.44Å; F68-M79 HydrophobicContact CE1-CB 3.86Å; F68-M79 HydrophobicContact CE1-CE 3.93Å; F68-M79 HydrophobicContact CE1-CG 3.94Å; F68-M79 HydrophobicContact CE1-SD 3.82Å; F68-M79 HydrophobicContact CZ-CE 4.05Å; F68-M79 HydrophobicContact CZ-SD 3.89Å; M75-M79 HydrophobicContact CG-CB 3.38Å; M75-M79 HydrophobicContact CG-CG 4.39Å; M75-M79 HydrophobicContact SD-CB 3.66Å; P76-M79 HydrophobicContact CG-CB 4.2Å; P76-M79 HydrophobicContact CG-CG 3.78Å; P76-M79 WeakPolarHBondContact O-CB 3.38Å; P76-M79 PolarHBondContact O-N 2.97Å; R77-M79 PolarHBondContact O-N 3.35Å; M79-M82 PolarHBondContact O-N 3.22Å; M79-L83 VanDerWaalsContact O-CB 3.31Å; M79-L83 WeakPolarHBondContact O-CB 3.4Å; M79-L83 PolarHBondContact O-N 3.42Å; M79-Y332 HydrophobicContact CE-CD1 3.35Å; M79-Y332 HydrophobicContact CE-CE1 3.17Å; M79-Y332 HydrophobicContact SD-CD1 4.22Å; M79-Y332 HydrophobicContact SD-CE1 3.82Å; M79-F333 HydrophobicContact CE-CB 3.9Å; M79-F333 HydrophobicContact CE-CD2 3.27Å; M79-F333 HydrophobicContact CE-CE2 4.06Å; M79-F333 HydrophobicContact CE-CG 3.91Å |
| 80 | I | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 172.4 | -62.8 | 162.2 | 0 | 0 | 0 | 110.2 | M75 P76 R77 H78 L83 C84 S167 A170 W171 | M75-I80 HydrophobicContact CE-CB 4.09Å; M75-I80 HydrophobicContact CE-CD1 4.44Å; M75-I80 HydrophobicContact CE-CG1 3.27Å; M75-I80 HydrophobicContact CG-CG1 4.1Å; M75-I80 HydrophobicContact SD-CG1 4.3Å; P76-I80 PolarHBondContact O-N 3.36Å; R77-I80 WeakPolarHBondContact O-CB 3.47Å; R77-I80 PolarHBondContact O-N 2.92Å; H78-I80 VanDerWaalsContact C-N 3.35Å; I80-L83 PolarHBondContact O-N 3.5Å; I80-C84 PolarHBondContact O-N 3.22Å; I80-C84 VanDerWaalsContact O-N 3.1Å; I80-C84 PolarHBondContact O-SG 2.89Å; I80-S167 WeakPolarHBondContact CD1-O 3.3Å; I80-A170 HydrophobicContact CB-CB 4.01Å; I80-A170 HydrophobicContact CD1-CB 3.82Å; I80-A170 HydrophobicContact CG2-CB 4.09Å; I80-W171 HydrophobicContact CD1-CG 4.35Å; I80-W171 HydrophobicContact CG1-CZ2 4.45Å; I80-W171 HydrophobicContact CG2-CD2 3.72Å; I80-W171 HydrophobicContact CG2-CE3 4.04Å; I80-W171 HydrophobicContact CG2-CG 4.02Å; I80-W171 HydrophobicContact CG2-CZ2 4.32Å; I80-W171 HydrophobicContact CG2-CZ3 4.47Å |
| 81 | Y | 92.3 | Very high | 88.3 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 175.1 | -51.8 | -49.6 | 0 | 0 | 0 | 111.2 | R77 H78 L83 C84 V85 L147 D151 A170 A173 C174 | R77-Y81 HydrophobicContact CB-CE2 4.33Å; R77-Y81 WeakPolarHBondContact O-CD2 3.37Å; R77-Y81 PolarHBondContact O-N 3Å; H78-Y81 PolarHBondContact O-N 3.21Å; Y81-L83 PolarHBondContact O-N 3.36Å; Y81-C84 PolarHBondContact O-N 3.2Å; Y81-V85 WeakPolarHBondContact O-CG2 3.46Å; Y81-V85 PolarHBondContact O-N 3.45Å; Y81-L147 HydrophobicContact CD1-CD2 3.74Å; Y81-L147 HydrophobicContact CD1-CG 4.11Å; Y81-L147 HydrophobicContact CE1-CD2 3.64Å; Y81-L147 HydrophobicContact CE1-CG 3.93Å; Y81-D151 HydrophobicContact CD2-CB 4.44Å; Y81-D151 HydrophobicContact CE2-CB 3.68Å; Y81-D151 VanDerWaalsContact CE2-OD1 3.26Å; Y81-D151 WeakPolarHBondContact CE2-OD1 3.5Å; Y81-D151 PolarHBondContact OH-OD1 2.91Å; Y81-A170 HydrophobicContact CD1-CB 4.43Å; Y81-A170 HydrophobicContact CE1-CB 3.64Å; Y81-A170 HydrophobicContact CE2-CB 4.45Å; Y81-A173 HydrophobicContact CE1-CB 4.37Å; Y81-C174 VanDerWaalsContact CD1-SG 3.55Å |
| 82 | M | 88.8 | Confident | 88.9 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 178.7 | -66.2 | -56.1 | -130.7 | 0 | 0 | 112.7 | H78 M79 C84 V85 L86 N271 L274 Y329 | H78-M82 VanDerWaalsContact O-CG 3.29Å; H78-M82 WeakPolarHBondContact O-CG 3.5Å; H78-M82 PolarHBondContact O-N 3.22Å; M79-M82 PolarHBondContact O-N 3.22Å; M82-C84 VanDerWaalsContact C-N 3.31Å; M82-C84 PolarHBondContact O-N 3.43Å; M82-V85 PolarHBondContact O-N 2.79Å; M82-L86 WeakPolarHBondContact O-CB 3.44Å; M82-L86 VanDerWaalsContact O-CG 3.29Å; M82-L86 WeakPolarHBondContact O-CG 3.27Å; M82-L86 PolarHBondContact O-N 3.2Å; M82-N271 HydrophobicContact CE-CB 4.44Å; M82-N271 WeakPolarHBondContact CE-OD1 3.35Å; M82-L274 HydrophobicContact CE-CD2 3.19Å; M82-L274 HydrophobicContact SD-CD2 3.74Å; M82-Y329 HydrophobicContact CB-CE1 3.94Å; M82-Y329 HydrophobicContact CE-CD1 4.48Å; M82-Y329 HydrophobicContact CE-CE1 3.38Å; M82-Y329 WeakPolarHBondContact CE-OH 3.4Å; M82-Y329 HydrophobicContact CG-CE1 3.82Å; M82-Y329 HydrophobicContact SD-CE1 3.93Å; M82-Y329 PolarHBondContact SD-OH 3.35Å |
| 83 | L | 91.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.6 | -45.6 | 174 | 172.6 | 62.5 | 0 | 0 | 0 | 111.2 | I65 F68 M75 M79 I80 Y81 L86 I87 W171 | I65-L83 HydrophobicContact CB-CD1 4.24Å; I65-L83 HydrophobicContact CG1-CD1 3.87Å; I65-L83 HydrophobicContact CG2-CD1 4.35Å; F68-L83 HydrophobicContact CB-CD1 3.85Å; F68-L83 HydrophobicContact CB-CD2 4.02Å; F68-L83 HydrophobicContact CB-CG 4.37Å; F68-L83 HydrophobicContact CD2-CB 4.27Å; F68-L83 HydrophobicContact CD2-CD1 3.9Å; F68-L83 HydrophobicContact CG-CB 4.43Å; F68-L83 HydrophobicContact CG-CD1 4.21Å; M75-L83 HydrophobicContact CE-CD2 3.87Å; M79-L83 VanDerWaalsContact O-CB 3.31Å; M79-L83 WeakPolarHBondContact O-CB 3.4Å; M79-L83 PolarHBondContact O-N 3.42Å; I80-L83 PolarHBondContact O-N 3.5Å; Y81-L83 PolarHBondContact O-N 3.36Å; L83-L86 WeakPolarHBondContact O-CB 3.44Å; L83-L86 PolarHBondContact O-N 3.49Å; L83-I87 HydrophobicContact CD1-CD1 4.01Å; L83-I87 HydrophobicContact CD1-CG1 4.3Å; L83-I87 HydrophobicContact CG-CD1 4.02Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.27Å; L83-I87 PolarHBondContact O-N 2.77Å; L83-W171 HydrophobicContact CD2-CH2 3.67Å; L83-W171 HydrophobicContact CD2-CZ2 4.18Å |
| 84 | C | 94.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.7 | -37.3 | 179.1 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | I80 Y81 M82 I87 S88 L144 C174 Y178 | I80-C84 PolarHBondContact O-N 3.22Å; I80-C84 VanDerWaalsContact O-N 3.1Å; I80-C84 PolarHBondContact O-SG 2.89Å; Y81-C84 PolarHBondContact O-N 3.2Å; M82-C84 VanDerWaalsContact C-N 3.31Å; M82-C84 PolarHBondContact O-N 3.43Å; C84-I87 PolarHBondContact O-N 3.39Å; C84-S88 WeakPolarHBondContact O-CB 3.29Å; C84-S88 PolarHBondContact O-N 3.33Å; C84-S88 PolarHBondContact O-OG 3.17Å; C84-L144 HydrophobicContact CB-CD1 3.7Å; C84-L144 HydrophobicContact CB-CD2 3.94Å; C84-L144 HydrophobicContact CB-CG 4.46Å; C84-L144 WeakPolarHBondContact O-CD1 3.31Å; C84-C174 HydrophobicContact CB-CB 4.37Å; C84-C174 PolarHBondContact SG-SG 2.98Å; C84-Y178 WeakPolarHBondContact CA-OH 3.36Å; C84-Y178 HydrophobicContact CB-CE2 4.03Å; C84-Y178 PolarHBondContact O-OH 3.03Å |
| 85 | V | 93.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.2 | -49.7 | 172.1 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | Y81 M82 I87 S88 S89 L144 L145 | Y81-V85 WeakPolarHBondContact O-CG2 3.46Å; Y81-V85 PolarHBondContact O-N 3.45Å; M82-V85 PolarHBondContact O-N 2.79Å; V85-I87 PolarHBondContact O-N 2.93Å; V85-S88 PolarHBondContact O-N 2.93Å; V85-S88 VanDerWaalsContact O-N 3.13Å; V85-S89 VanDerWaalsContact O-CB 3.3Å; V85-S89 WeakPolarHBondContact O-CB 3.41Å; V85-S89 PolarHBondContact O-N 2.9Å; V85-L144 HydrophobicContact CG2-CB 3.59Å; V85-L144 HydrophobicContact CG2-CD1 4.42Å; V85-L145 HydrophobicContact CG1-CD2 4.32Å; V85-L145 HydrophobicContact CG2-CD2 4.19Å; V85-L145 HydrophobicContact CG2-CG 4.35Å |
| 86 | L | 91.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 178.7 | -77.2 | 167.5 | 0 | 0 | 0 | 112.9 | N61 F64 F68 M82 L83 S89 G90 Y329 | N61-L86 WeakPolarHBondContact OD1-CD2 3.43Å; F64-L86 HydrophobicContact CB-CD1 3.91Å; F64-L86 HydrophobicContact CG-CD1 4.2Å; F68-L86 HydrophobicContact CD2-CD1 4.41Å; F68-L86 HydrophobicContact CE2-CD1 3.8Å; M82-L86 WeakPolarHBondContact O-CB 3.44Å; M82-L86 VanDerWaalsContact O-CG 3.29Å; M82-L86 WeakPolarHBondContact O-CG 3.27Å; M82-L86 PolarHBondContact O-N 3.2Å; L83-L86 WeakPolarHBondContact O-CB 3.44Å; L83-L86 PolarHBondContact O-N 3.49Å; L86-S89 PolarHBondContact O-N 3.37Å; L86-G90 PolarHBondContact O-N 2.88Å; L86-Y329 HydrophobicContact CD1-CD2 4.42Å; L86-Y329 HydrophobicContact CD1-CE2 4.05Å; L86-Y329 HydrophobicContact CD2-CD2 4.29Å; L86-Y329 HydrophobicContact CD2-CE2 3.67Å; L86-Y329 HydrophobicContact CG-CE2 4.01Å |
| 87 | I | 94.3 | Very high | 91.8 | Very high | 46 Ų | 46 | 17 Ų | 17 | 24% | 0.236 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 175.7 | -69.1 | 165.5 | 0 | 0 | 0 | 110.2 | I65 L83 C84 V85 S89 G90 L91 | I65-I87 HydrophobicContact CD1-CG1 3.69Å; I65-I87 HydrophobicContact CG1-CG1 3.87Å; L83-I87 HydrophobicContact CD1-CD1 4.01Å; L83-I87 HydrophobicContact CD1-CG1 4.3Å; L83-I87 HydrophobicContact CG-CD1 4.02Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.27Å; L83-I87 PolarHBondContact O-N 2.77Å; C84-I87 PolarHBondContact O-N 3.39Å; V85-I87 PolarHBondContact O-N 2.93Å; I87-S89 VanDerWaalsContact C-N 3.35Å; I87-S89 PolarHBondContact O-N 3.26Å; I87-G90 PolarHBondContact O-N 3.4Å; I87-L91 HydrophobicContact CG2-CD1 4.12Å; I87-L91 WeakPolarHBondContact O-CB 3.44Å; I87-L91 VanDerWaalsContact O-CG 3.3Å; I87-L91 WeakPolarHBondContact O-CG 3.32Å; I87-L91 PolarHBondContact O-N 3.48Å |
| 88 | S | 95.3 | Very high | 92 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.007 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.3 | -37.6 | -178.5 | -47.8 | 0 | 0 | 0 | 0 | 112.1 | C84 V85 T92 Y178 | C84-S88 WeakPolarHBondContact O-CB 3.29Å; C84-S88 PolarHBondContact O-N 3.33Å; C84-S88 PolarHBondContact O-OG 3.17Å; V85-S88 PolarHBondContact O-N 2.93Å; V85-S88 VanDerWaalsContact O-N 3.13Å; S88-T92 WeakPolarHBondContact O-CB 3.28Å; S88-T92 PolarHBondContact O-N 3.16Å; S88-T92 PolarHBondContact O-OG1 3.04Å; S88-Y178 WeakPolarHBondContact OG-CE1 3.48Å; S88-Y178 PolarHBondContact OG-OH 2.88Å |
| 89 | S | 92.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.1 | -55.4 | 172.9 | -102 | 0 | 0 | 0 | 0 | 111.4 | V85 L86 I87 L91 T92 D93 E322 | V85-S89 VanDerWaalsContact O-CB 3.3Å; V85-S89 WeakPolarHBondContact O-CB 3.41Å; V85-S89 PolarHBondContact O-N 2.9Å; L86-S89 PolarHBondContact O-N 3.37Å; I87-S89 VanDerWaalsContact C-N 3.35Å; I87-S89 PolarHBondContact O-N 3.26Å; S89-L91 VanDerWaalsContact C-N 3.3Å; S89-L91 PolarHBondContact O-N 3.01Å; S89-T92 PolarHBondContact O-N 3.36Å; S89-D93 PolarHBondContact O-N 3.5Å; S89-E322 WeakPolarHBondContact CB-OE1 3.44Å; S89-E322 PolarHBondContact OG-OE1 2.89Å |
| 90 | G | 92.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 20.8 Ų | 20.8 | 12% | 0.124 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.6 | -39.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L86 I87 F94 | L86-G90 PolarHBondContact O-N 2.88Å; I87-G90 PolarHBondContact O-N 3.4Å; G90-F94 WeakPolarHBondContact O-CB 3.31Å; G90-F94 PolarHBondContact O-N 2.83Å |
| 91 | L | 94.4 | Very high | 92.6 | Very high | 85 Ų | 85 | 20.8 Ų | 20.8 | 45% | 0.445 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 173.4 | -71.5 | 173.8 | 0 | 0 | 0 | 112.1 | I87 S89 F94 I95 T137 | I87-L91 HydrophobicContact CG2-CD1 4.12Å; I87-L91 WeakPolarHBondContact O-CB 3.44Å; I87-L91 VanDerWaalsContact O-CG 3.3Å; I87-L91 WeakPolarHBondContact O-CG 3.32Å; I87-L91 PolarHBondContact O-N 3.48Å; S89-L91 VanDerWaalsContact C-N 3.3Å; S89-L91 PolarHBondContact O-N 3.01Å; L91-F94 PolarHBondContact O-N 3.49Å; L91-I95 WeakPolarHBondContact O-CB 3.35Å; L91-I95 WeakPolarHBondContact O-CD1 3.49Å; L91-I95 WeakPolarHBondContact O-CG1 3.43Å; L91-I95 PolarHBondContact O-N 3.33Å; L91-T137 HydrophobicContact CB-CG2 3.84Å; L91-T137 HydrophobicContact CD1-CG2 4.29Å |
| 92 | T | 94 | Very high | 92.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 179.4 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | S88 S89 F94 I95 V96 T137 S138 I141 W315 | S88-T92 WeakPolarHBondContact O-CB 3.28Å; S88-T92 PolarHBondContact O-N 3.16Å; S88-T92 PolarHBondContact O-OG1 3.04Å; S89-T92 PolarHBondContact O-N 3.36Å; T92-F94 VanDerWaalsContact C-N 3.31Å; T92-F94 PolarHBondContact O-N 2.89Å; T92-I95 PolarHBondContact O-N 3.23Å; T92-V96 HydrophobicContact CG2-CG2 3.83Å; T92-V96 VanDerWaalsContact O-CB 3.29Å; T92-V96 WeakPolarHBondContact O-CB 3.38Å; T92-V96 WeakPolarHBondContact O-CG2 3.37Å; T92-V96 PolarHBondContact O-N 3.42Å; T92-T137 VanDerWaalsContact OG1-C 3.31Å; T92-T137 WeakPolarHBondContact OG1-CB 3.31Å; T92-T137 PolarHBondContact OG1-OG1 3.4Å; T92-S138 PolarHBondContact OG1-N 3.46Å; T92-I141 HydrophobicContact CG2-CD1 4.23Å; T92-I141 WeakPolarHBondContact OG1-CD1 3.3Å; T92-W315 HydrophobicContact CG2-CE3 4.48Å; T92-W315 HydrophobicContact CG2-CH2 3.54Å; T92-W315 HydrophobicContact CG2-CZ3 3.41Å; T92-W315 VanDerWaalsContact CG2-CZ3 3.41Å |
| 93 | D | 92.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -63.3 | -37.7 | 176.1 | -90.4 | 4.1 | 0 | 0 | 0 | 111.7 | S89 G97 W98 S319 | S89-D93 PolarHBondContact O-N 3.5Å; D93-G97 WeakPolarHBondContact O-CA 3.2Å; D93-G97 PolarHBondContact O-N 3.26Å; D93-W98 PolarHBondContact O-N 2.88Å; D93-S319 VanDerWaalsContact CG-OG 3.29Å; D93-S319 PolarHBondContact OD1-OG 3.48Å; D93-S319 WeakPolarHBondContact OD2-CB 3.23Å; D93-S319 PolarHBondContact OD2-OG 3.37Å |
| 94 | F | 93.5 | Very high | 92.6 | Very high | 100 Ų | 100 | 22.9 Ų | 22.9 | 44% | 0.439 | 11% | 0.112 | S | C | . | . | I | π-helix | trans | -64.2 | -49.5 | 172.1 | -175.8 | -102.4 | 0 | 0 | 0 | 111.8 | G90 L91 T92 W98 L99 | G90-F94 WeakPolarHBondContact O-CB 3.31Å; G90-F94 PolarHBondContact O-N 2.83Å; L91-F94 PolarHBondContact O-N 3.49Å; T92-F94 VanDerWaalsContact C-N 3.31Å; T92-F94 PolarHBondContact O-N 2.89Å; F94-W98 HydrophobicContact CD2-CB 4.13Å; F94-W98 HydrophobicContact CD2-CG 4.44Å; F94-W98 HydrophobicContact CE2-CB 4.39Å; F94-W98 WeakPolarHBondContact O-CA 3.35Å; F94-W98 VanDerWaalsContact O-CB 3.31Å; F94-W98 WeakPolarHBondContact O-CB 3.25Å; F94-W98 PolarHBondContact O-N 2.65Å; F94-L99 HydrophobicContact CD1-CD1 4.19Å; F94-L99 HydrophobicContact CD1-CG 4.31Å; F94-L99 HydrophobicContact CE1-CD1 3.87Å; F94-L99 HydrophobicContact CE1-CD2 4.08Å; F94-L99 HydrophobicContact CE1-CG 4Å; F94-L99 HydrophobicContact CZ-CD2 4.11Å; F94-L99 HydrophobicContact CZ-CG 4.44Å; F94-L99 PolarHBondContact O-N 2.85Å |
| 95 | I | 93.9 | Very high | 92.2 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 6% | 0.056 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -68 | -56.9 | -177.1 | -65.3 | 158.5 | 0 | 0 | 0 | 111.2 | L91 T92 L99 W100 Y130 L133 H134 T137 | L91-I95 WeakPolarHBondContact O-CB 3.35Å; L91-I95 WeakPolarHBondContact O-CD1 3.49Å; L91-I95 WeakPolarHBondContact O-CG1 3.43Å; L91-I95 PolarHBondContact O-N 3.33Å; T92-I95 PolarHBondContact O-N 3.23Å; I95-L99 VanDerWaalsContact O-CB 3.29Å; I95-L99 WeakPolarHBondContact O-CB 3.41Å; I95-L99 PolarHBondContact O-N 2.63Å; I95-W100 PolarHBondContact O-N 3.43Å; I95-Y130 HydrophobicContact CG2-CD2 3.8Å; I95-Y130 HydrophobicContact CG2-CE2 3.5Å; I95-Y130 WeakPolarHBondContact O-CE2 3.29Å; I95-L133 HydrophobicContact CD1-CB 3.82Å; I95-H134 HydrophobicContact CG2-CB 3.86Å; I95-T137 HydrophobicContact CD1-CG2 3.91Å |
| 96 | V | 91.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -71.9 | -45.1 | -175.8 | 178 | 0 | 0 | 0 | 0 | 110.7 | T92 W100 L101 H134 W315 | T92-V96 HydrophobicContact CG2-CG2 3.83Å; T92-V96 VanDerWaalsContact O-CB 3.29Å; T92-V96 WeakPolarHBondContact O-CB 3.38Å; T92-V96 WeakPolarHBondContact O-CG2 3.37Å; T92-V96 PolarHBondContact O-N 3.42Å; V96-W100 HydrophobicContact CG1-CE3 4.08Å; V96-W100 HydrophobicContact CG1-CZ3 4.36Å; V96-W100 WeakPolarHBondContact O-CB 3.25Å; V96-L101 HydrophobicContact CG1-CD1 3.83Å; V96-L101 HydrophobicContact CG1-CG 4.16Å; V96-L101 WeakPolarHBondContact O-CB 3.29Å; V96-L101 WeakPolarHBondContact O-CG 2.92Å; V96-L101 PolarHBondContact O-N 3Å; V96-H134 WeakPolarHBondContact CG2-CD2 3.47Å; V96-W315 HydrophobicContact CG1-CB 4.31Å; V96-W315 HydrophobicContact CG1-CD2 3.99Å; V96-W315 HydrophobicContact CG1-CE3 4.14Å; V96-W315 HydrophobicContact CG1-CG 4.1Å; V96-W315 HydrophobicContact CG2-CH2 4.49Å; V96-W315 HydrophobicContact CG2-CZ3 4.47Å |
| 97 | G | 91.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -77 | -62.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D93 L101 F102 | D93-G97 WeakPolarHBondContact O-CA 3.2Å; D93-G97 PolarHBondContact O-N 3.26Å; G97-L101 PolarHBondContact O-N 2.92Å; G97-F102 WeakPolarHBondContact O-CB 3.44Å; G97-F102 PolarHBondContact O-N 3.21Å |
| 98 | W | 92.6 | Very high | 91.9 | Very high | 65 Ų | 65 | 24 Ų | 24 | 25% | 0.246 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -80.6 | -37.6 | -173.5 | -74.4 | 100.9 | 0 | 0 | 0 | 114.5 | P51 A54 I55 D93 F94 F102 P103 | P51-W98 HydrophobicContact CB-CH2 4Å; P51-W98 HydrophobicContact CB-CZ2 4.35Å; A54-W98 HydrophobicContact CB-CZ2 4.37Å; I55-W98 HydrophobicContact CD1-CH2 4.41Å; I55-W98 HydrophobicContact CD1-CZ2 4.33Å; I55-W98 HydrophobicContact CG1-CH2 4.36Å; I55-W98 HydrophobicContact CG1-CZ2 3.8Å; D93-W98 PolarHBondContact O-N 2.88Å; F94-W98 HydrophobicContact CD2-CB 4.13Å; F94-W98 HydrophobicContact CD2-CG 4.44Å; F94-W98 HydrophobicContact CE2-CB 4.39Å; F94-W98 WeakPolarHBondContact O-CA 3.35Å; F94-W98 VanDerWaalsContact O-CB 3.31Å; F94-W98 WeakPolarHBondContact O-CB 3.25Å; F94-W98 PolarHBondContact O-N 2.65Å; W98-F102 HydrophobicContact CE3-CD1 4.02Å; W98-F102 HydrophobicContact CE3-CG 4.4Å; W98-F102 AromaticContact CZ3-CD1 3.88Å; W98-F102 HydrophobicContact CZ3-CD1 3.88Å; W98-F102 HydrophobicContact CZ3-CE1 4.05Å; W98-F102 HydrophobicContact CZ3-CG 4.28Å; W98-P103 WeakPolarHBondContact O-CD 3.29Å; W98-P103 WeakPolarHBondContact O-CG 3.07Å |
| 99 | L | 91.8 | Very high | 91.6 | Very high | 55 Ų | 55 | 26.1 Ų | 26.1 | 29% | 0.288 | 12% | 0.124 | S | C | . | . | I | π-helix | trans | -85 | -13 | -179.8 | -56 | -179.6 | 0 | 0 | 0 | 113.3 | F94 I95 P103 L119 Y130 | F94-L99 HydrophobicContact CD1-CD1 4.19Å; F94-L99 HydrophobicContact CD1-CG 4.31Å; F94-L99 HydrophobicContact CE1-CD1 3.87Å; F94-L99 HydrophobicContact CE1-CD2 4.08Å; F94-L99 HydrophobicContact CE1-CG 4Å; F94-L99 HydrophobicContact CZ-CD2 4.11Å; F94-L99 HydrophobicContact CZ-CG 4.44Å; F94-L99 PolarHBondContact O-N 2.85Å; I95-L99 VanDerWaalsContact O-CB 3.29Å; I95-L99 WeakPolarHBondContact O-CB 3.41Å; I95-L99 PolarHBondContact O-N 2.63Å; L99-P103 WeakPolarHBondContact O-CG 3.34Å; L99-L119 HydrophobicContact CB-CD2 4.14Å; L99-L119 HydrophobicContact CD1-CD2 4.06Å; L99-Y130 HydrophobicContact CB-CE2 4.43Å |
| 100 | W | 90.6 | Very high | 91.4 | Very high | 27 Ų | 27 | 28.1 Ų | 28.1 | 10% | 0.102 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -133.8 | -70.2 | -176.4 | -177.1 | 56.7 | 0 | 0 | 0 | 115.3 | I95 V96 F102 P103 S104 Y130 H312 | I95-W100 PolarHBondContact O-N 3.43Å; V96-W100 HydrophobicContact CG1-CE3 4.08Å; V96-W100 HydrophobicContact CG1-CZ3 4.36Å; V96-W100 WeakPolarHBondContact O-CB 3.25Å; W100-F102 PolarHBondContact O-N 3.46Å; W100-P103 VanDerWaalsContact O-CD 3.28Å; W100-P103 WeakPolarHBondContact O-CD 3.48Å; W100-P103 WeakPolarHBondContact O-CG 3.3Å; W100-S104 PolarHBondContact NE1-OG 3.48Å; W100-S104 WeakPolarHBondContact O-CB 3.14Å; W100-S104 PolarHBondContact O-N 3.22Å; W100-S104 PolarHBondContact O-OG 3.11Å; W100-Y130 HydrophobicContact CB-CE2 3.83Å; W100-Y130 WeakPolarHBondContact CB-OH 3.49Å; W100-Y130 AromaticContact CG-CZ 3.94Å; W100-Y130 VanDerWaalsContact CG-OH 3.25Å; W100-H312 AromaticContact CH2-CD2 3.61Å; W100-H312 AromaticContact CH2-CE1 3.74Å; W100-H312 AromaticContact CH2-NE2 3.39Å; W100-H312 WeakPolarHBondContact CH2-NE2 3.15Å |
| 101 | L | 90.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -57.5 | -48.8 | -172.3 | -74.4 | 174.5 | 0 | 0 | 0 | 112.4 | V96 G97 R105 G106 H312 W315 | V96-L101 HydrophobicContact CG1-CD1 3.83Å; V96-L101 HydrophobicContact CG1-CG 4.16Å; V96-L101 WeakPolarHBondContact O-CB 3.29Å; V96-L101 WeakPolarHBondContact O-CG 2.92Å; V96-L101 PolarHBondContact O-N 3Å; G97-L101 PolarHBondContact O-N 2.92Å; L101-R105 WeakPolarHBondContact O-CA 3.3Å; L101-R105 VanDerWaalsContact O-CB 3.31Å; L101-R105 WeakPolarHBondContact O-CB 3.49Å; L101-R105 PolarHBondContact O-N 2.85Å; L101-G106 PolarHBondContact O-N 3.42Å; L101-H312 HydrophobicContact CD2-CB 4.06Å; L101-W315 HydrophobicContact CD1-CB 4.02Å |
| 102 | F | 92.6 | Very high | 90.8 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 20% | 0.197 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -61.4 | -57.8 | 177.9 | -179.6 | -107.9 | 0 | 0 | 0 | 112.4 | S46 F50 P51 G97 W98 W100 S104 G106 L107 | S46-F102 WeakPolarHBondContact O-CD2 3.33Å; F50-F102 HydrophobicContact CD1-CB 4.45Å; F50-F102 HydrophobicContact CE1-CB 4.33Å; P51-F102 HydrophobicContact CB-CE2 4.47Å; P51-F102 HydrophobicContact CG-CD2 3.53Å; P51-F102 HydrophobicContact CG-CE2 3.61Å; G97-F102 WeakPolarHBondContact O-CB 3.44Å; G97-F102 PolarHBondContact O-N 3.21Å; W98-F102 HydrophobicContact CE3-CD1 4.02Å; W98-F102 HydrophobicContact CE3-CG 4.4Å; W98-F102 AromaticContact CZ3-CD1 3.88Å; W98-F102 HydrophobicContact CZ3-CD1 3.88Å; W98-F102 HydrophobicContact CZ3-CE1 4.05Å; W98-F102 HydrophobicContact CZ3-CG 4.28Å; W100-F102 PolarHBondContact O-N 3.46Å; F102-S104 PolarHBondContact O-N 3.43Å; F102-G106 CarbonylContact O-C 3.55Å; F102-G106 WeakPolarHBondContact O-CA 2.95Å; F102-G106 PolarHBondContact O-N 3.32Å; F102-L107 HydrophobicContact CD1-CG 4.34Å; F102-L107 HydrophobicContact CE1-CD1 4.27Å; F102-L107 HydrophobicContact CE1-CD2 3.85Å; F102-L107 HydrophobicContact CE1-CG 3.92Å; F102-L107 HydrophobicContact CE2-CD2 4.36Å; F102-L107 HydrophobicContact CZ-CD2 3.64Å; F102-L107 HydrophobicContact CZ-CG 4.08Å; F102-L107 PolarHBondContact O-N 3.42Å |
| 103 | P | 91.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.065 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -71.2 | -27.8 | -175.8 | 26.1 | -35.9 | 0 | 0 | 0 | 114.6 | W98 L99 W100 L107 P108 F117 | W98-P103 WeakPolarHBondContact O-CD 3.29Å; W98-P103 WeakPolarHBondContact O-CG 3.07Å; L99-P103 WeakPolarHBondContact O-CG 3.34Å; W100-P103 VanDerWaalsContact O-CD 3.28Å; W100-P103 WeakPolarHBondContact O-CD 3.48Å; W100-P103 WeakPolarHBondContact O-CG 3.3Å; P103-L107 HydrophobicContact CB-CD1 4.31Å; P103-P108 WeakPolarHBondContact O-CD 3.49Å; P103-F117 CarbonylContact C-O 3.59Å; P103-F117 HydrophobicContact CB-CB 4.02Å; P103-F117 HydrophobicContact CB-CD1 4.03Å; P103-F117 HydrophobicContact CG-CD1 4.49Å; P103-F117 PolarHBondContact O-N 3.49Å; P103-F117 VanDerWaalsContact O-N 3.11Å; P103-F117 VanDerWaalsContact O-O 3.1Å |
| 104 | S | 87.4 | Confident | 89.7 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -97.3 | -20.4 | -174.9 | 75.1 | 0 | 0 | 0 | 0 | 114.5 | W100 F102 P108 F117 | W100-S104 PolarHBondContact NE1-OG 3.48Å; W100-S104 WeakPolarHBondContact O-CB 3.14Å; W100-S104 PolarHBondContact O-N 3.22Å; W100-S104 PolarHBondContact O-OG 3.11Å; F102-S104 PolarHBondContact O-N 3.43Å; S104-P108 WeakPolarHBondContact O-CG 3.41Å; S104-F117 WeakPolarHBondContact CA-O 3.36Å; S104-F117 PolarHBondContact N-O 3.36Å |
| 105 | R | 88.1 | Confident | 89.3 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 13% | 0.125 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -127 | -41.6 | 179.4 | -60.8 | -64.4 | -172.3 | 116.1 | 0 | 112.7 | L101 Y109 D309 | L101-R105 WeakPolarHBondContact O-CA 3.3Å; L101-R105 VanDerWaalsContact O-CB 3.31Å; L101-R105 WeakPolarHBondContact O-CB 3.49Å; L101-R105 PolarHBondContact O-N 2.85Å; R105-Y109 VanDerWaalsContact O-CB 3.3Å; R105-Y109 WeakPolarHBondContact O-CB 3.32Å; R105-Y109 PolarHBondContact O-N 3.45Å; R105-D309 IonicContact CZ-OD1 2.7Å; R105-D309 IonicContact NH1-OD1 2.92Å; R105-D309 PolarHBondContact NH1-OD1 3.36Å; R105-D309 IonicContact NH2-OD1 3.79Å |
| 106 | G | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -67.9 | -58.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A47 L101 F102 Y109 A110 | A47-G106 WeakPolarHBondContact CB-O 3.45Å; L101-G106 PolarHBondContact O-N 3.42Å; F102-G106 CarbonylContact O-C 3.55Å; F102-G106 WeakPolarHBondContact O-CA 2.95Å; F102-G106 PolarHBondContact O-N 3.32Å; G106-Y109 WeakPolarHBondContact O-CB 3.38Å; G106-Y109 PolarHBondContact O-N 3.46Å; G106-Y109 VanDerWaalsContact O-N 3.13Å; G106-A110 PolarHBondContact O-N 2.83Å |
| 107 | L | 90.8 | Very high | 88.4 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 179.8 | -70.8 | -179.7 | 0 | 0 | 0 | 113.1 | F102 P103 Y109 A110 T111 I115 | F102-L107 HydrophobicContact CD1-CG 4.34Å; F102-L107 HydrophobicContact CE1-CD1 4.27Å; F102-L107 HydrophobicContact CE1-CD2 3.85Å; F102-L107 HydrophobicContact CE1-CG 3.92Å; F102-L107 HydrophobicContact CE2-CD2 4.36Å; F102-L107 HydrophobicContact CZ-CD2 3.64Å; F102-L107 HydrophobicContact CZ-CG 4.08Å; F102-L107 PolarHBondContact O-N 3.42Å; P103-L107 HydrophobicContact CB-CD1 4.31Å; L107-Y109 VanDerWaalsContact C-N 3.26Å; L107-Y109 PolarHBondContact O-N 2.81Å; L107-A110 PolarHBondContact O-N 3.21Å; L107-T111 WeakPolarHBondContact O-CB 3.46Å; L107-T111 WeakPolarHBondContact O-CG2 3.49Å; L107-T111 PolarHBondContact O-N 2.83Å; L107-T111 PolarHBondContact O-OG1 3.28Å; L107-I115 CarbonylContact C-O 3.54Å; L107-I115 HydrophobicContact CD1-CG2 4.31Å |
| 108 | P | 88.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.7 | -35.8 | 176.4 | -24.6 | 36.3 | 0 | 0 | 0 | 112 | P103 S104 K112 G113 I115 | P103-P108 WeakPolarHBondContact O-CD 3.49Å; S104-P108 WeakPolarHBondContact O-CG 3.41Å; P108-K112 CarbonylContact O-C 3.54Å; P108-K112 WeakPolarHBondContact O-CA 3.39Å; P108-K112 PolarHBondContact O-N 2.86Å; P108-K112 VanDerWaalsContact O-N 3.11Å; P108-G113 PolarHBondContact O-N 3.4Å; P108-I115 WeakPolarHBondContact CA-O 3.35Å |
| 109 | Y | 89.4 | Confident | 87.7 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 18% | 0.184 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.4 | -51.2 | 175.5 | -172.9 | -101.4 | 0 | 0 | 0 | 111.9 | T17 F18 G43 V44 A47 Y48 R105 G106 L107 T111 K112 | T17-Y109 HydrophobicContact CG2-CD2 3.57Å; T17-Y109 HydrophobicContact CG2-CE2 4.33Å; T17-Y109 HydrophobicContact CG2-CG 4.42Å; F18-Y109 HydrophobicContact CE1-CD2 4.19Å; F18-Y109 AromaticContact CE1-CE2 3.91Å; F18-Y109 HydrophobicContact CE1-CE2 3.91Å; F18-Y109 HydrophobicContact CE2-CD2 4.08Å; F18-Y109 AromaticContact CZ-CD2 3.56Å; F18-Y109 HydrophobicContact CZ-CD2 3.56Å; F18-Y109 AromaticContact CZ-CE2 3.68Å; F18-Y109 HydrophobicContact CZ-CE2 3.68Å; F18-Y109 HydrophobicContact CZ-CG 4.41Å; G43-Y109 VanDerWaalsContact C-CD1 3.46Å; V44-Y109 HydrophobicContact CB-CE1 4.35Å; V44-Y109 HydrophobicContact CG2-CE1 3.56Å; V44-Y109 VanDerWaalsContact CG2-OH 3.3Å; V44-Y109 WeakPolarHBondContact CG2-OH 3.3Å; A47-Y109 HydrophobicContact CB-CD1 4.1Å; Y48-Y109 HydrophobicContact CE2-CD1 4.04Å; Y48-Y109 AromaticContact CE2-CE1 3.94Å; Y48-Y109 HydrophobicContact CE2-CE1 3.94Å; R105-Y109 VanDerWaalsContact O-CB 3.3Å; R105-Y109 WeakPolarHBondContact O-CB 3.32Å; R105-Y109 PolarHBondContact O-N 3.45Å; G106-Y109 WeakPolarHBondContact O-CB 3.38Å; G106-Y109 PolarHBondContact O-N 3.46Å; G106-Y109 VanDerWaalsContact O-N 3.13Å; L107-Y109 VanDerWaalsContact C-N 3.26Å; L107-Y109 PolarHBondContact O-N 2.81Å; Y109-T111 VanDerWaalsContact C-N 3.26Å; Y109-T111 PolarHBondContact O-N 2.85Å; Y109-K112 PolarHBondContact O-N 2.81Å |
| 110 | A | 89.8 | Confident | 87.3 | Confident | 43 Ų | 43 | 49.1 Ų | 49.1 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -32.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A47 Y48 G106 L107 | A47-A110 HydrophobicContact CB-CB 4.24Å; Y48-A110 HydrophobicContact CE1-CB 4.33Å; G106-A110 PolarHBondContact O-N 2.83Å; L107-A110 PolarHBondContact O-N 3.21Å |
| 111 | T | 89.7 | Confident | 87 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 9.1 | -175.5 | 66.4 | 0 | 0 | 0 | 0 | 114 | L107 Y109 G113 K114 I115 | L107-T111 WeakPolarHBondContact O-CB 3.46Å; L107-T111 WeakPolarHBondContact O-CG2 3.49Å; L107-T111 PolarHBondContact O-N 2.83Å; L107-T111 PolarHBondContact O-OG1 3.28Å; Y109-T111 VanDerWaalsContact C-N 3.26Å; Y109-T111 PolarHBondContact O-N 2.85Å; T111-G113 PolarHBondContact O-N 2.91Å; T111-K114 WeakPolarHBondContact O-CB 3.15Å; T111-K114 VanDerWaalsContact O-CG 3.31Å; T111-K114 WeakPolarHBondContact O-CG 3.28Å; T111-K114 PolarHBondContact O-N 2.79Å; T111-K114 VanDerWaalsContact O-N 3.16Å; T111-K114 PolarHBondContact OG1-N 2.68Å; T111-I115 HydrophobicContact CG2-CB 4.02Å; T111-I115 HydrophobicContact CG2-CD1 4.07Å; T111-I115 HydrophobicContact CG2-CG1 4.05Å; T111-I115 PolarHBondContact OG1-N 3.17Å; T111-I115 PolarHBondContact OG1-O 2.98Å |
| 112 | K | 84.8 | Confident | 86.8 | Confident | 179 Ų | 179 | 55 Ų | 55 | 78% | 0.778 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41.1 | -175.1 | -55.8 | -177.9 | -179.5 | -178.8 | 0 | 112.6 | P108 Y109 | P108-K112 CarbonylContact O-C 3.54Å; P108-K112 WeakPolarHBondContact O-CA 3.39Å; P108-K112 PolarHBondContact O-N 2.86Å; P108-K112 VanDerWaalsContact O-N 3.11Å; Y109-K112 PolarHBondContact O-N 2.81Å |
| 113 | G | 80.9 | Confident | 86.7 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 1.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R14 P108 T111 | R14-G113 WeakPolarHBondContact CG-O 3.39Å; P108-G113 PolarHBondContact O-N 3.4Å; T111-G113 PolarHBondContact O-N 2.91Å |
| 114 | K | 81.5 | Confident | 86.6 | Confident | 185 Ų | 185 | 56.8 Ų | 56.8 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -70.4 | -38.4 | -179.1 | -68.2 | 179.9 | 178.8 | -174.2 | 0 | 113.3 | T111 | T111-K114 WeakPolarHBondContact O-CB 3.15Å; T111-K114 VanDerWaalsContact O-CG 3.31Å; T111-K114 WeakPolarHBondContact O-CG 3.28Å; T111-K114 PolarHBondContact O-N 2.79Å; T111-K114 VanDerWaalsContact O-N 3.16Å; T111-K114 PolarHBondContact OG1-N 2.68Å |
| 115 | I | 85.4 | Confident | 86.8 | Confident | 98 Ų | 98 | 60 Ų | 60 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | trans | -119.8 | 121.7 | -179.3 | -53.9 | -178.1 | 0 | 0 | 0 | 108.2 | L107 P108 T111 | L107-I115 CarbonylContact C-O 3.54Å; L107-I115 HydrophobicContact CD1-CG2 4.31Å; P108-I115 WeakPolarHBondContact CA-O 3.35Å; T111-I115 HydrophobicContact CG2-CB 4.02Å; T111-I115 HydrophobicContact CG2-CD1 4.07Å; T111-I115 HydrophobicContact CG2-CG1 4.05Å; T111-I115 PolarHBondContact OG1-N 3.17Å; T111-I115 PolarHBondContact OG1-O 2.98Å | ||
| 116 | Y | 82.4 | Confident | 86.9 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | trans | -141.1 | 141.9 | 173 | 68.9 | -83.2 | 0 | 0 | 0 | 109.7 | L13 R14 | L13-Y116 HydrophobicContact CB-CD2 4.49Å; R14-Y116 PolarHBondContact NH2-OH 3.15Å | ||
| 117 | F | 84.8 | Confident | 86.9 | Confident | 99 Ų | 99 | 59.7 Ų | 59.7 | 43% | 0.434 | 32% | 0.318 | S | S | . | . | trans | -140.7 | 140.5 | 173.5 | 179.2 | -99.7 | 0 | 0 | 0 | 110 | P103 S104 L119 | P103-F117 CarbonylContact C-O 3.59Å; P103-F117 HydrophobicContact CB-CB 4.02Å; P103-F117 HydrophobicContact CB-CD1 4.03Å; P103-F117 HydrophobicContact CG-CD1 4.49Å; P103-F117 PolarHBondContact O-N 3.49Å; P103-F117 VanDerWaalsContact O-N 3.11Å; P103-F117 VanDerWaalsContact O-O 3.1Å; S104-F117 WeakPolarHBondContact CA-O 3.36Å; S104-F117 PolarHBondContact N-O 3.36Å; F117-L119 HydrophobicContact CE1-CB 4.16Å; F117-L119 HydrophobicContact CE1-CD1 4.39Å; F117-L119 HydrophobicContact CZ-CD1 4.27Å | ||
| 118 | S | 83.7 | Confident | 87 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | trans | -142.9 | 103.1 | -177.9 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | I120 S121 | S118-I120 PolarHBondContact O-N 3.34Å; S118-I120 WeakPolarHBondContact OG-CG1 3.42Å; S118-S121 PolarHBondContact O-N 3Å; S118-S121 PolarHBondContact OG-OG 2.84Å | ||
| 119 | L | 84.4 | Confident | 87.2 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -58.5 | -34.5 | -180 | -172.3 | 68.7 | 0 | 0 | 0 | 112.1 | L99 F117 S121 L122 S126 Y130 | L99-L119 HydrophobicContact CB-CD2 4.14Å; L99-L119 HydrophobicContact CD1-CD2 4.06Å; F117-L119 HydrophobicContact CE1-CB 4.16Å; F117-L119 HydrophobicContact CE1-CD1 4.39Å; F117-L119 HydrophobicContact CZ-CD1 4.27Å; L119-S121 PolarHBondContact O-N 2.83Å; L119-L122 PolarHBondContact O-N 3.38Å; L119-S126 WeakPolarHBondContact O-CB 3.41Å; L119-Y130 HydrophobicContact CD2-CD2 4.2Å |
| 120 | I | 84.7 | Confident | 87.4 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.108 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -67.5 | -16.5 | 178.6 | 59.6 | 170.9 | 0 | 0 | 0 | 113.7 | S118 Y130 C203 | S118-I120 PolarHBondContact O-N 3.34Å; S118-I120 WeakPolarHBondContact OG-CG1 3.42Å; I120-Y130 HydrophobicContact CG2-CD1 3.12Å; I120-Y130 HydrophobicContact CG2-CD2 4.38Å; I120-Y130 HydrophobicContact CG2-CE1 3.54Å; I120-Y130 HydrophobicContact CG2-CG 3.62Å; I120-C203 HydrophobicContact CB-CB 3.93Å; I120-C203 WeakPolarHBondContact O-CB 3.17Å |
| 121 | S | 83.6 | Confident | 87.6 | Confident | 41 Ų | 41 | 63 Ų | 63 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -99.6 | -7 | -177.8 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | S118 L119 W194 | S118-S121 PolarHBondContact O-N 3Å; S118-S121 PolarHBondContact OG-OG 2.84Å; L119-S121 PolarHBondContact O-N 2.83Å; S121-W194 PolarHBondContact O-NE1 3.23Å |
| 122 | L | 86.7 | Confident | 87.8 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 58% | 0.576 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -46.5 | -172.4 | -172.9 | 66.9 | 0 | 0 | 0 | 113.5 | L119 | L119-L122 PolarHBondContact O-N 3.38Š|
| 123 | S | 89.9 | Confident | 88.4 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | trans | -159.1 | 166.8 | -178.3 | 77.5 | 0 | 0 | 0 | 0 | 111.5 | A125 S126 C127 | S123-A125 VanDerWaalsContact C-N 3.34Å; S123-A125 PolarHBondContact O-N 3.13Å; S123-A125 PolarHBondContact OG-N 3.01Å; S123-S126 PolarHBondContact O-N 3.03Å; S123-S126 WeakPolarHBondContact OG-CB 3.46Å; S123-S126 PolarHBondContact OG-N 3.13Å; S123-S126 PolarHBondContact OG-OG 3.47Å; S123-C127 VanDerWaalsContact O-CB 3.32Å; S123-C127 WeakPolarHBondContact O-CB 3.49Å; S123-C127 PolarHBondContact O-N 3.45Å | ||
| 124 | S | 89.5 | Confident | 89 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 172.9 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | C127 K128 | S124-C127 WeakPolarHBondContact O-CB 3.35Å; S124-C127 PolarHBondContact O-N 3.49Å; S124-K128 WeakPolarHBondContact O-CG 3.36Å; S124-K128 PolarHBondContact O-N 2.85Å |
| 125 | A | 91.6 | Very high | 89.7 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 59% | 0.587 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.2 | -46.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S123 C127 K128 L129 | S123-A125 VanDerWaalsContact C-N 3.34Å; S123-A125 PolarHBondContact O-N 3.13Å; S123-A125 PolarHBondContact OG-N 3.01Å; A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 2.98Å; A125-K128 PolarHBondContact O-N 3.43Å; A125-L129 VanDerWaalsContact O-CB 3.31Å; A125-L129 WeakPolarHBondContact O-CB 3.41Å; A125-L129 PolarHBondContact O-N 3.4Å |
| 126 | S | 90.8 | Very high | 90.2 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 177.4 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | L119 S123 Y130 | L119-S126 WeakPolarHBondContact O-CB 3.41Å; S123-S126 PolarHBondContact O-N 3.03Å; S123-S126 WeakPolarHBondContact OG-CB 3.46Å; S123-S126 PolarHBondContact OG-N 3.13Å; S123-S126 PolarHBondContact OG-OG 3.47Å; S126-Y130 WeakPolarHBondContact O-CB 3.5Å; S126-Y130 PolarHBondContact O-N 3.46Å |
| 127 | C | 91 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.8 | -54.8 | 174.2 | 163 | 0 | 0 | 0 | 0 | 111.9 | S123 S124 A125 R131 W194 C203 | S123-C127 VanDerWaalsContact O-CB 3.32Å; S123-C127 WeakPolarHBondContact O-CB 3.49Å; S123-C127 PolarHBondContact O-N 3.45Å; S124-C127 WeakPolarHBondContact O-CB 3.35Å; S124-C127 PolarHBondContact O-N 3.49Å; A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 2.98Å; C127-R131 WeakPolarHBondContact O-CB 3.3Å; C127-R131 VanDerWaalsContact O-CG 3.23Å; C127-R131 WeakPolarHBondContact O-CG 3.17Å; C127-R131 PolarHBondContact O-N 3.01Å; C127-W194 HydrophobicContact CB-CB 4.28Å; C127-C203 VanDerWaalsContact C-SG 3.59Å; C127-C203 WeakPolarHBondContact CA-SG 3.29Å; C127-C203 HydrophobicContact CB-CB 3.76Å; C127-C203 WeakPolarHBondContact CB-SG 3.4Å; C127-C203 PolarHBondContact O-SG 3.49Å; C127-C203 WeakPolarHBondContact SG-CA 3.35Å; C127-C203 WeakPolarHBondContact SG-CB 3.32Å; C127-C203 CovalentContact SG-SG 2.01Å; C127-C203 PolarHBondContact SG-SG 3.44Å |
| 128 | K | 93.2 | Very high | 91.4 | Very high | 79 Ų | 79 | 36.6 Ų | 36.6 | 34% | 0.343 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -48.5 | -179 | -72.3 | -177.1 | 177.4 | -163.2 | 0 | 112.2 | S124 A125 R131 L132 V192 | S124-K128 WeakPolarHBondContact O-CG 3.36Å; S124-K128 PolarHBondContact O-N 2.85Å; A125-K128 PolarHBondContact O-N 3.43Å; K128-R131 PolarHBondContact O-N 2.78Å; K128-L132 WeakPolarHBondContact O-CB 3.35Å; K128-L132 PolarHBondContact O-N 2.92Å; K128-V192 HydrophobicContact CB-CG1 4.2Å; K128-V192 WeakPolarHBondContact CE-O 3.41Å; K128-V192 HydrophobicContact CG-CG1 3.79Å; K128-V192 WeakPolarHBondContact CG-O 3.36Å |
| 129 | L | 93.7 | Very high | 92 | Very high | 103 Ų | 103 | 36 Ų | 36 | 54% | 0.539 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63 | -48 | -178 | -176.5 | 65.4 | 0 | 0 | 0 | 111.4 | A125 R131 L132 L133 | A125-L129 VanDerWaalsContact O-CB 3.31Å; A125-L129 WeakPolarHBondContact O-CB 3.41Å; A125-L129 PolarHBondContact O-N 3.4Å; L129-R131 PolarHBondContact O-N 2.87Å; L129-L132 PolarHBondContact O-N 3.21Å; L129-L133 HydrophobicContact CD1-CD1 3.91Å; L129-L133 HydrophobicContact CD1-CG 4.09Å; L129-L133 HydrophobicContact CG-CD1 3.84Å; L129-L133 HydrophobicContact CG-CG 4.37Å; L129-L133 WeakPolarHBondContact O-CB 3.48Å; L129-L133 VanDerWaalsContact O-CG 3.29Å; L129-L133 WeakPolarHBondContact O-CG 3.42Å; L129-L133 PolarHBondContact O-N 3.36Å |
| 130 | Y | 93.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 177.3 | 171.5 | -90.2 | 0 | 0 | 0 | 111.3 | I95 L99 W100 L119 I120 S126 L133 H134 | I95-Y130 HydrophobicContact CG2-CD2 3.8Å; I95-Y130 HydrophobicContact CG2-CE2 3.5Å; I95-Y130 WeakPolarHBondContact O-CE2 3.29Å; L99-Y130 HydrophobicContact CB-CE2 4.43Å; W100-Y130 HydrophobicContact CB-CE2 3.83Å; W100-Y130 WeakPolarHBondContact CB-OH 3.49Å; W100-Y130 AromaticContact CG-CZ 3.94Å; W100-Y130 VanDerWaalsContact CG-OH 3.25Å; L119-Y130 HydrophobicContact CD2-CD2 4.2Å; I120-Y130 HydrophobicContact CG2-CD1 3.12Å; I120-Y130 HydrophobicContact CG2-CD2 4.38Å; I120-Y130 HydrophobicContact CG2-CE1 3.54Å; I120-Y130 HydrophobicContact CG2-CG 3.62Å; S126-Y130 WeakPolarHBondContact O-CB 3.5Å; S126-Y130 PolarHBondContact O-N 3.46Å; Y130-L133 PolarHBondContact O-N 3.08Å; Y130-H134 HydrophobicContact CE1-CB 4.44Å; Y130-H134 VanDerWaalsContact O-CB 3.24Å; Y130-H134 WeakPolarHBondContact O-CB 3.4Å; Y130-H134 PolarHBondContact O-N 2.84Å |
| 131 | R | 93.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | -177.5 | -74 | -69.4 | -166.8 | -164.6 | 1.3 | 111.5 | C127 K128 L129 S135 F188 V192 C203 | C127-R131 WeakPolarHBondContact O-CB 3.3Å; C127-R131 VanDerWaalsContact O-CG 3.23Å; C127-R131 WeakPolarHBondContact O-CG 3.17Å; C127-R131 PolarHBondContact O-N 3.01Å; K128-R131 PolarHBondContact O-N 2.78Å; L129-R131 PolarHBondContact O-N 2.87Å; R131-S135 VanDerWaalsContact O-CB 3.29Å; R131-S135 WeakPolarHBondContact O-CB 3.35Å; R131-S135 PolarHBondContact O-N 3.25Å; R131-S135 PolarHBondContact O-OG 3.28Å; R131-F188 HydrophobicContact CB-CE1 3.9Å; R131-V192 HydrophobicContact CB-CG1 4.1Å; R131-V192 HydrophobicContact CB-CG2 4.41Å; R131-V192 HydrophobicContact CG-CG2 4.09Å; R131-C203 WeakPolarHBondContact CG-SG 3.31Å; R131-C203 PolarHBondContact NE-O 3.01Å; R131-C203 PolarHBondContact NH2-O 3.46Å |
| 132 | L | 95.2 | Very high | 93.7 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 16% | 0.157 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -50.9 | 175.8 | 176.9 | 60.1 | 0 | 0 | 0 | 111.5 | K128 L129 S135 F136 F182 M185 | K128-L132 WeakPolarHBondContact O-CB 3.35Å; K128-L132 PolarHBondContact O-N 2.92Å; L129-L132 PolarHBondContact O-N 3.21Å; L132-S135 PolarHBondContact O-N 2.73Å; L132-F136 WeakPolarHBondContact O-CB 3.43Å; L132-F136 PolarHBondContact O-N 3.38Å; L132-F182 HydrophobicContact CD2-CE2 4.26Å; L132-M185 HydrophobicContact CD1-CB 4.41Å |
| 133 | L | 95.6 | Very high | 94.2 | Very high | 71 Ų | 71 | 26.7 Ų | 26.7 | 37% | 0.372 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.3 | -47.6 | -177.8 | -72.9 | 175.7 | 0 | 0 | 0 | 111.5 | I95 L129 Y130 S135 F136 T137 | I95-L133 HydrophobicContact CD1-CB 3.82Å; L129-L133 HydrophobicContact CD1-CD1 3.91Å; L129-L133 HydrophobicContact CD1-CG 4.09Å; L129-L133 HydrophobicContact CG-CD1 3.84Å; L129-L133 HydrophobicContact CG-CG 4.37Å; L129-L133 WeakPolarHBondContact O-CB 3.48Å; L129-L133 VanDerWaalsContact O-CG 3.29Å; L129-L133 WeakPolarHBondContact O-CG 3.42Å; L129-L133 PolarHBondContact O-N 3.36Å; Y130-L133 PolarHBondContact O-N 3.08Å; L133-S135 PolarHBondContact O-N 3.32Å; L133-F136 PolarHBondContact O-N 3.44Å; L133-T137 WeakPolarHBondContact O-CG2 3.3Å; L133-T137 PolarHBondContact O-N 2.83Å; L133-T137 PolarHBondContact O-OG1 3.46Å; L133-T137 VanDerWaalsContact O-OG1 3.12Å |
| 134 | H | 94.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.1 | -49.7 | 175.6 | 165.2 | -131.7 | 0 | 0 | 0 | 111.8 | I95 V96 Y130 F136 T137 S138 N221 W315 | I95-H134 HydrophobicContact CG2-CB 3.86Å; V96-H134 WeakPolarHBondContact CG2-CD2 3.47Å; Y130-H134 HydrophobicContact CE1-CB 4.44Å; Y130-H134 VanDerWaalsContact O-CB 3.24Å; Y130-H134 WeakPolarHBondContact O-CB 3.4Å; Y130-H134 PolarHBondContact O-N 2.84Å; H134-F136 VanDerWaalsContact C-N 3.33Å; H134-F136 PolarHBondContact O-N 2.88Å; H134-T137 PolarHBondContact O-OG1 2.83Å; H134-S138 VanDerWaalsContact O-CB 3.29Å; H134-S138 WeakPolarHBondContact O-CB 3.44Å; H134-S138 PolarHBondContact O-N 3.04Å; H134-S138 PolarHBondContact O-OG 3.11Å; H134-N221 PolarHBondContact CE1-OD1 3.3Å; H134-W315 AromaticContact NE2-CZ2 3.57Å |
| 135 | S | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | -178.6 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | R131 L132 L133 S138 T139 F188 H216 S220 | R131-S135 VanDerWaalsContact O-CB 3.29Å; R131-S135 WeakPolarHBondContact O-CB 3.35Å; R131-S135 PolarHBondContact O-N 3.25Å; R131-S135 PolarHBondContact O-OG 3.28Å; L132-S135 PolarHBondContact O-N 2.73Å; L133-S135 PolarHBondContact O-N 3.32Å; S135-S138 PolarHBondContact O-OG 2.89Å; S135-S138 VanDerWaalsContact O-OG 3.13Å; S135-T139 WeakPolarHBondContact O-CB 3.36Å; S135-T139 PolarHBondContact O-N 3.49Å; S135-T139 PolarHBondContact O-OG1 3.48Å; S135-F188 WeakPolarHBondContact OG-CD1 3.35Å; S135-F188 VanDerWaalsContact OG-CE1 3.29Å; S135-F188 WeakPolarHBondContact OG-CE1 3.19Å; S135-H216 PolarHBondContact OG-CD2 3Å; S135-H216 PolarHBondContact OG-NE2 3.3Å; S135-S220 VanDerWaalsContact CA-OG 3.23Å; S135-S220 WeakPolarHBondContact CA-OG 3.18Å; S135-S220 WeakPolarHBondContact CB-OG 3.4Å; S135-S220 PolarHBondContact O-OG 2.96Å |
| 136 | F | 97 | Very high | 95 | Very high | 39 Ų | 39 | 20.4 Ų | 20.4 | 17% | 0.171 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.4 | -52.3 | 177 | 164.5 | -114.4 | 0 | 0 | 0 | 112.6 | L132 L133 H134 T139 S140 Y178 F182 | L132-F136 WeakPolarHBondContact O-CB 3.43Å; L132-F136 PolarHBondContact O-N 3.38Å; L133-F136 PolarHBondContact O-N 3.44Å; H134-F136 VanDerWaalsContact C-N 3.33Å; H134-F136 PolarHBondContact O-N 2.88Å; F136-T139 PolarHBondContact O-N 3.2Å; F136-S140 VanDerWaalsContact CE2-OG 3.3Å; F136-S140 WeakPolarHBondContact CE2-OG 3.33Å; F136-S140 WeakPolarHBondContact O-CB 3.42Å; F136-S140 PolarHBondContact O-N 2.87Å; F136-S140 PolarHBondContact O-OG 2.91Å; F136-Y178 HydrophobicContact CE2-CD1 4.18Å; F136-Y178 AromaticContact CZ-CD1 3.83Å; F136-Y178 HydrophobicContact CZ-CD1 3.83Å; F136-Y178 HydrophobicContact CZ-CE1 4.49Å; F136-F182 HydrophobicContact CD2-CB 3.84Å; F136-F182 HydrophobicContact CD2-CD2 4.21Å; F136-F182 HydrophobicContact CE2-CB 3.83Å; F136-F182 HydrophobicContact CG-CD2 4.45Å |
| 137 | T | 96.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.7 | -41.5 | -174.9 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | L91 T92 I95 L133 H134 S140 I141 | L91-T137 HydrophobicContact CB-CG2 3.84Å; L91-T137 HydrophobicContact CD1-CG2 4.29Å; T92-T137 VanDerWaalsContact OG1-C 3.31Å; T92-T137 WeakPolarHBondContact OG1-CB 3.31Å; T92-T137 PolarHBondContact OG1-OG1 3.4Å; I95-T137 HydrophobicContact CD1-CG2 3.91Å; L133-T137 WeakPolarHBondContact O-CG2 3.3Å; L133-T137 PolarHBondContact O-N 2.83Å; L133-T137 PolarHBondContact O-OG1 3.46Å; L133-T137 VanDerWaalsContact O-OG1 3.12Å; H134-T137 PolarHBondContact O-OG1 2.83Å; T137-S140 WeakPolarHBondContact O-CB 3.37Å; T137-S140 PolarHBondContact O-N 3.5Å; T137-I141 WeakPolarHBondContact O-CG1 3.29Å; T137-I141 PolarHBondContact O-N 2.87Å; T137-I141 VanDerWaalsContact O-N 3.07Å |
| 138 | S | 95.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.9 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | T92 H134 S135 S140 I141 S220 | T92-S138 PolarHBondContact OG1-N 3.46Å; H134-S138 VanDerWaalsContact O-CB 3.29Å; H134-S138 WeakPolarHBondContact O-CB 3.44Å; H134-S138 PolarHBondContact O-N 3.04Å; H134-S138 PolarHBondContact O-OG 3.11Å; S135-S138 PolarHBondContact O-OG 2.89Å; S135-S138 VanDerWaalsContact O-OG 3.13Å; S138-S140 VanDerWaalsContact C-N 3.34Å; S138-I141 PolarHBondContact O-N 3.48Å; S138-S220 PolarHBondContact OG-OG 2.96Å |
| 139 | T | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67 | -35.9 | 174 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | S135 F136 I141 V142 N143 M184 M185 F219 S220 | S135-T139 WeakPolarHBondContact O-CB 3.36Å; S135-T139 PolarHBondContact O-N 3.49Å; S135-T139 PolarHBondContact O-OG1 3.48Å; F136-T139 PolarHBondContact O-N 3.2Å; T139-I141 PolarHBondContact O-N 3.44Å; T139-V142 WeakPolarHBondContact O-CG1 3.43Å; T139-V142 PolarHBondContact O-N 3.44Å; T139-N143 WeakPolarHBondContact CG2-ND2 3.41Å; T139-N143 WeakPolarHBondContact O-CB 3.4Å; T139-N143 VanDerWaalsContact O-CG 3.24Å; T139-N143 PolarHBondContact O-N 3.47Å; T139-M184 HydrophobicContact CG2-CE 4.49Å; T139-M185 HydrophobicContact CG2-CE 4.4Å; T139-M185 HydrophobicContact CG2-CG 4.42Å; T139-F219 PolarHBondContact OG1-O 2.93Å; T139-S220 WeakPolarHBondContact OG1-CA 3.49Å; T139-S220 PolarHBondContact OG1-OG 2.71Å |
| 140 | S | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.2 | -61.3 | 0 | 0 | 0 | 0 | 112 | F136 T137 S138 V142 N143 L144 S181 | F136-S140 VanDerWaalsContact CE2-OG 3.3Å; F136-S140 WeakPolarHBondContact CE2-OG 3.33Å; F136-S140 WeakPolarHBondContact O-CB 3.42Å; F136-S140 PolarHBondContact O-N 2.87Å; F136-S140 PolarHBondContact O-OG 2.91Å; T137-S140 WeakPolarHBondContact O-CB 3.37Å; T137-S140 PolarHBondContact O-N 3.5Å; S138-S140 VanDerWaalsContact C-N 3.34Å; S140-V142 PolarHBondContact O-N 3.47Å; S140-N143 PolarHBondContact O-N 3.46Å; S140-L144 VanDerWaalsContact O-CB 3.28Å; S140-L144 WeakPolarHBondContact O-CB 3.27Å; S140-L144 WeakPolarHBondContact O-CD1 3.32Å; S140-L144 WeakPolarHBondContact O-CG 3.36Å; S140-L144 PolarHBondContact O-N 2.91Å; S140-S181 WeakPolarHBondContact OG-CB 3.47Å |
| 141 | I | 95.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -54.2 | -56 | 176.3 | -66.5 | 165.5 | 0 | 0 | 0 | 110.5 | T92 T137 S138 T139 N143 L144 L145 Y278 | T92-I141 HydrophobicContact CG2-CD1 4.23Å; T92-I141 WeakPolarHBondContact OG1-CD1 3.3Å; T137-I141 WeakPolarHBondContact O-CG1 3.29Å; T137-I141 PolarHBondContact O-N 2.87Å; T137-I141 VanDerWaalsContact O-N 3.07Å; S138-I141 PolarHBondContact O-N 3.48Å; T139-I141 PolarHBondContact O-N 3.44Å; I141-N143 PolarHBondContact O-N 3.02Å; I141-L144 PolarHBondContact O-N 3.5Å; I141-L145 HydrophobicContact CG2-CD1 4.06Å; I141-L145 WeakPolarHBondContact O-CG 3.41Å; I141-L145 PolarHBondContact O-N 3.48Å; I141-Y278 HydrophobicContact CG2-CD2 4.47Å; I141-Y278 HydrophobicContact CG2-CE2 3.84Å |
| 142 | V | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68.8 | -37.3 | -174.8 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | T139 S140 L144 L145 V146 Q226 Y278 | T139-V142 WeakPolarHBondContact O-CG1 3.43Å; T139-V142 PolarHBondContact O-N 3.44Å; S140-V142 PolarHBondContact O-N 3.47Å; V142-L144 VanDerWaalsContact C-N 3.35Å; V142-L144 PolarHBondContact O-N 3.38Å; V142-L145 PolarHBondContact O-N 2.92Å; V142-V146 WeakPolarHBondContact O-CG2 3.32Å; V142-V146 PolarHBondContact O-N 3.29Å; V142-Q226 HydrophobicContact CB-CB 4.2Å; V142-Q226 HydrophobicContact CG1-CB 3.69Å; V142-Q226 HydrophobicContact CG1-CG 4.12Å; V142-Q226 HydrophobicContact CG2-CB 3.5Å; V142-Y278 HydrophobicContact CB-CE1 4.44Å; V142-Y278 WeakPolarHBondContact CB-OH 3.48Å; V142-Y278 HydrophobicContact CG2-CE1 3.94Å |
| 143 | N | 97.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 14.1 Ų | 14.1 | 9% | 0.086 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.4 | -38.5 | 176.4 | -72.8 | -10 | 0 | 0 | 0 | 111.8 | T139 S140 I141 V146 L147 I177 S181 Q226 | T139-N143 WeakPolarHBondContact CG2-ND2 3.41Å; T139-N143 WeakPolarHBondContact O-CB 3.4Å; T139-N143 VanDerWaalsContact O-CG 3.24Å; T139-N143 PolarHBondContact O-N 3.47Å; S140-N143 PolarHBondContact O-N 3.46Å; I141-N143 PolarHBondContact O-N 3.02Å; N143-V146 PolarHBondContact O-N 2.87Å; N143-L147 PolarHBondContact O-N 3.47Å; N143-I177 HydrophobicContact CB-CG2 3.6Å; N143-S181 PolarHBondContact ND2-OG 3.04Å; N143-Q226 WeakPolarHBondContact OD1-CG 3.26Å; N143-Q226 PolarHBondContact OD1-NE2 3.37Å |
| 144 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.9 | -36.4 | 174.9 | -72 | 166.6 | 0 | 0 | 0 | 112.1 | C84 V85 S140 I141 V142 L147 S148 C174 I177 Y178 | C84-L144 HydrophobicContact CB-CD1 3.7Å; C84-L144 HydrophobicContact CB-CD2 3.94Å; C84-L144 HydrophobicContact CB-CG 4.46Å; C84-L144 WeakPolarHBondContact O-CD1 3.31Å; V85-L144 HydrophobicContact CG2-CB 3.59Å; V85-L144 HydrophobicContact CG2-CD1 4.42Å; S140-L144 VanDerWaalsContact O-CB 3.28Å; S140-L144 WeakPolarHBondContact O-CB 3.27Å; S140-L144 WeakPolarHBondContact O-CD1 3.32Å; S140-L144 WeakPolarHBondContact O-CG 3.36Å; S140-L144 PolarHBondContact O-N 2.91Å; I141-L144 PolarHBondContact O-N 3.5Å; V142-L144 VanDerWaalsContact C-N 3.35Å; V142-L144 PolarHBondContact O-N 3.38Å; L144-L147 PolarHBondContact O-N 3.09Å; L144-S148 WeakPolarHBondContact O-CB 3.2Å; L144-S148 PolarHBondContact O-N 2.82Å; L144-C174 HydrophobicContact CD2-CB 4.28Å; L144-I177 HydrophobicContact CD2-CB 4.16Å; L144-I177 HydrophobicContact CD2-CG2 3.78Å; L144-I177 HydrophobicContact CG-CG2 3.83Å; L144-Y178 HydrophobicContact CD1-CE1 4.11Å |
| 145 | L | 95.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 172.4 | -72.5 | 173.4 | 0 | 0 | 0 | 111.6 | V85 I141 V142 S148 A149 L230 L274 Y278 | V85-L145 HydrophobicContact CG1-CD2 4.32Å; V85-L145 HydrophobicContact CG2-CD2 4.19Å; V85-L145 HydrophobicContact CG2-CG 4.35Å; I141-L145 HydrophobicContact CG2-CD1 4.06Å; I141-L145 WeakPolarHBondContact O-CG 3.41Å; I141-L145 PolarHBondContact O-N 3.48Å; V142-L145 PolarHBondContact O-N 2.92Å; L145-S148 PolarHBondContact O-N 3.1Å; L145-A149 WeakPolarHBondContact O-CB 3.32Å; L145-A149 PolarHBondContact O-N 2.88Å; L145-L230 HydrophobicContact CB-CD1 4.3Å; L145-L230 HydrophobicContact CB-CD2 3.92Å; L145-L230 HydrophobicContact CD1-CD2 4.28Å; L145-L274 HydrophobicContact CD2-CD2 4.49Å; L145-Y278 HydrophobicContact CD1-CD1 3.89Å; L145-Y278 HydrophobicContact CD1-CD2 3.58Å; L145-Y278 HydrophobicContact CD1-CE1 4.19Å; L145-Y278 HydrophobicContact CD1-CE2 3.93Å; L145-Y278 HydrophobicContact CD1-CG 3.59Å |
| 146 | V | 96.7 | Very high | 92.9 | Very high | 25 Ų | 25 | 16.6 Ų | 16.6 | 15% | 0.152 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 173 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | V142 N143 S148 A149 V150 Q226 I229 L230 L233 | V142-V146 WeakPolarHBondContact O-CG2 3.32Å; V142-V146 PolarHBondContact O-N 3.29Å; N143-V146 PolarHBondContact O-N 2.87Å; V146-S148 VanDerWaalsContact C-N 3.33Å; V146-S148 PolarHBondContact O-N 2.82Å; V146-A149 WeakPolarHBondContact O-CB 3.28Å; V146-A149 PolarHBondContact O-N 3.35Å; V146-A149 VanDerWaalsContact O-N 3.09Å; V146-V150 HydrophobicContact CG1-CG2 4.44Å; V146-V150 WeakPolarHBondContact O-CG2 3.41Å; V146-V150 PolarHBondContact O-N 2.9Å; V146-Q226 HydrophobicContact CG2-CB 4.23Å; V146-Q226 WeakPolarHBondContact CG2-O 3.46Å; V146-I229 HydrophobicContact CG1-CG2 3.92Å; V146-I229 HydrophobicContact CG2-CG2 4.28Å; V146-L230 HydrophobicContact CG2-CB 4.07Å; V146-L233 HydrophobicContact CG1-CD1 3.97Å |
| 147 | L | 96.1 | Very high | 92.1 | Very high | 33 Ų | 33 | 21.1 Ų | 21.1 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.2 | -47.2 | 175.7 | 175.1 | 63.1 | 0 | 0 | 0 | 111.6 | Y81 N143 L144 A149 V150 D151 A173 I177 | Y81-L147 HydrophobicContact CD1-CD2 3.74Å; Y81-L147 HydrophobicContact CD1-CG 4.11Å; Y81-L147 HydrophobicContact CE1-CD2 3.64Å; Y81-L147 HydrophobicContact CE1-CG 3.93Å; N143-L147 PolarHBondContact O-N 3.47Å; L144-L147 PolarHBondContact O-N 3.09Å; L147-A149 VanDerWaalsContact C-N 3.3Å; L147-A149 PolarHBondContact O-N 3.46Å; L147-V150 PolarHBondContact O-N 3.36Å; L147-D151 WeakPolarHBondContact O-CB 3.42Å; L147-D151 PolarHBondContact O-N 3.39Å; L147-A173 HydrophobicContact CD1-CB 4.21Å; L147-A173 HydrophobicContact CD2-CB 3.81Å; L147-I177 HydrophobicContact CB-CG1 4.23Å; L147-I177 HydrophobicContact CD2-CG1 3.72Å; L147-I177 HydrophobicContact CG-CG1 4.43Å |
| 148 | S | 93.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.4 | -35.2 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | L144 L145 V146 R152 | L144-S148 WeakPolarHBondContact O-CB 3.2Å; L144-S148 PolarHBondContact O-N 2.82Å; L145-S148 PolarHBondContact O-N 3.1Å; V146-S148 VanDerWaalsContact C-N 3.33Å; V146-S148 PolarHBondContact O-N 2.82Å; S148-R152 VanDerWaalsContact O-CG 3.3Å; S148-R152 WeakPolarHBondContact O-CG 3.03Å; S148-R152 PolarHBondContact O-N 3.44Å; S148-R152 PolarHBondContact O-NE 3.41Å |
| 149 | A | 93.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.017 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.3 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L145 V146 L147 R152 C153 L230 L233 | L145-A149 WeakPolarHBondContact O-CB 3.32Å; L145-A149 PolarHBondContact O-N 2.88Å; V146-A149 WeakPolarHBondContact O-CB 3.28Å; V146-A149 PolarHBondContact O-N 3.35Å; V146-A149 VanDerWaalsContact O-N 3.09Å; L147-A149 VanDerWaalsContact C-N 3.3Å; L147-A149 PolarHBondContact O-N 3.46Å; A149-R152 PolarHBondContact O-N 3.01Å; A149-C153 WeakPolarHBondContact O-CB 3.08Å; A149-C153 PolarHBondContact O-N 3.29Å; A149-C153 PolarHBondContact O-SG 3.39Å; A149-L230 HydrophobicContact CB-CD1 3.58Å; A149-L233 HydrophobicContact CB-CB 3.85Å; A149-L233 HydrophobicContact CB-CD1 3.86Å; A149-L233 HydrophobicContact CB-CG 4.5Å |
| 150 | V | 93.2 | Very high | 88.7 | Confident | 55 Ų | 55 | 31.5 Ų | 31.5 | 33% | 0.333 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | V146 L147 R152 C153 L154 L233 | V146-V150 HydrophobicContact CG1-CG2 4.44Å; V146-V150 WeakPolarHBondContact O-CG2 3.41Å; V146-V150 PolarHBondContact O-N 2.9Å; L147-V150 PolarHBondContact O-N 3.36Å; V150-R152 VanDerWaalsContact C-N 3.32Å; V150-R152 PolarHBondContact O-N 3.37Å; V150-C153 PolarHBondContact O-N 2.86Å; V150-C153 VanDerWaalsContact O-N 3.17Å; V150-L154 HydrophobicContact CG1-CD1 3.83Å; V150-L154 HydrophobicContact CG1-CG 4.26Å; V150-L154 WeakPolarHBondContact O-CG 2.82Å; V150-L154 PolarHBondContact O-N 3.38Å; V150-L233 HydrophobicContact CG2-CD1 3.65Å; V150-L233 HydrophobicContact CG2-CD2 4.12Å |
| 151 | D | 90.6 | Very high | 87.6 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.1 | -46.6 | 178 | -176.4 | 100.4 | 0 | 0 | 0 | 111.6 | R77 Y81 L147 L154 A155 F162 | R77-D151 IonicContact NH1-OD1 3.73Å; Y81-D151 HydrophobicContact CD2-CB 4.44Å; Y81-D151 HydrophobicContact CE2-CB 3.68Å; Y81-D151 VanDerWaalsContact CE2-OD1 3.26Å; Y81-D151 WeakPolarHBondContact CE2-OD1 3.5Å; Y81-D151 PolarHBondContact OH-OD1 2.91Å; L147-D151 WeakPolarHBondContact O-CB 3.42Å; L147-D151 PolarHBondContact O-N 3.39Å; D151-L154 PolarHBondContact O-N 3.41Å; D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 3.15Å; D151-F162 HydrophobicContact CB-CE1 4.47Å; D151-F162 HydrophobicContact CB-CZ 4.2Å; D151-F162 VanDerWaalsContact CG-CE1 3.49Å; D151-F162 VanDerWaalsContact CG-CZ 3.48Å; D151-F162 WeakPolarHBondContact O-CE1 3.41Å; D151-F162 WeakPolarHBondContact OD1-CE1 3.43Å; D151-F162 WeakPolarHBondContact OD1-CZ 3.29Å |
| 152 | R | 88.1 | Confident | 86.6 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 176.2 | -71.4 | -179.1 | -68.8 | 151.1 | -0.7 | 113.3 | S148 A149 V150 L154 A155 I156 N234 F237 C268 N271 | S148-R152 VanDerWaalsContact O-CG 3.3Å; S148-R152 WeakPolarHBondContact O-CG 3.03Å; S148-R152 PolarHBondContact O-N 3.44Å; S148-R152 PolarHBondContact O-NE 3.41Å; A149-R152 PolarHBondContact O-N 3.01Å; V150-R152 VanDerWaalsContact C-N 3.32Å; V150-R152 PolarHBondContact O-N 3.37Å; R152-L154 VanDerWaalsContact C-N 3.32Å; R152-L154 PolarHBondContact O-N 2.87Å; R152-A155 PolarHBondContact O-N 3.31Å; R152-I156 PolarHBondContact O-N 3.1Å; R152-I156 VanDerWaalsContact O-N 3.16Å; R152-N234 PolarHBondContact NH2-OD1 3.24Å; R152-F237 HydrophobicContact CB-CD2 4.08Å; R152-F237 HydrophobicContact CB-CE2 4.09Å; R152-C268 HydrophobicContact CG-CB 4.41Å; R152-C268 PolarHBondContact NH1-O 3.09Å; R152-C268 VanDerWaalsContact NH1-O 3.11Å; R152-N271 PolarHBondContact NH1-O 3.44Å |
| 153 | C | 88.4 | Confident | 85.4 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 8% | 0.081 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 176.9 | -80.7 | 0 | 0 | 0 | 0 | 111.7 | A149 V150 K157 L233 | A149-C153 WeakPolarHBondContact O-CB 3.08Å; A149-C153 PolarHBondContact O-N 3.29Å; A149-C153 PolarHBondContact O-SG 3.39Å; V150-C153 PolarHBondContact O-N 2.86Å; V150-C153 VanDerWaalsContact O-N 3.17Å; C153-K157 WeakPolarHBondContact O-CB 3.36Å; C153-K157 WeakPolarHBondContact O-CG 3.41Å; C153-K157 PolarHBondContact O-N 3.32Å; C153-L233 PolarHBondContact SG-O 3.02Å |
| 154 | L | 86.4 | Confident | 84.5 | Confident | 83 Ų | 83 | 52.2 Ų | 52.2 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 177 | -67.7 | 175.3 | 0 | 0 | 0 | 112 | V150 D151 R152 I156 K157 A158 F162 | V150-L154 HydrophobicContact CG1-CD1 3.83Å; V150-L154 HydrophobicContact CG1-CG 4.26Å; V150-L154 WeakPolarHBondContact O-CG 2.82Å; V150-L154 PolarHBondContact O-N 3.38Å; D151-L154 PolarHBondContact O-N 3.41Å; R152-L154 VanDerWaalsContact C-N 3.32Å; R152-L154 PolarHBondContact O-N 2.87Å; L154-I156 VanDerWaalsContact C-N 3.31Å; L154-I156 PolarHBondContact O-N 2.83Å; L154-K157 PolarHBondContact O-N 3.27Å; L154-A158 PolarHBondContact O-N 3Å; L154-F162 HydrophobicContact CB-CD2 4.1Å; L154-F162 HydrophobicContact CB-CE2 3.92Å; L154-F162 HydrophobicContact CB-CZ 4.17Å; L154-F162 HydrophobicContact CD1-CE2 4.18Å |
| 155 | A | 83 | Confident | 83.7 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D151 R152 P159 F162 | D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 3.15Å; R152-A155 PolarHBondContact O-N 3.31Å; A155-P159 WeakPolarHBondContact O-CA 3.35Å; A155-F162 HydrophobicContact CB-CD1 3.6Å; A155-F162 HydrophobicContact CB-CE1 3.94Å |
| 156 | I | 80 | Confident | 83.2 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.1 | -43.9 | 176.8 | -68 | -165.8 | 0 | 0 | 0 | 112.3 | R152 L154 F237 C240 T241 M260 | R152-I156 PolarHBondContact O-N 3.1Å; R152-I156 VanDerWaalsContact O-N 3.16Å; L154-I156 VanDerWaalsContact C-N 3.31Å; L154-I156 PolarHBondContact O-N 2.83Å; I156-F237 HydrophobicContact CD1-CD2 3.76Å; I156-F237 HydrophobicContact CD1-CE2 3.07Å; I156-F237 HydrophobicContact CD1-CZ 3.54Å; I156-F237 HydrophobicContact CG1-CD2 4.48Å; I156-F237 HydrophobicContact CG1-CE2 3.88Å; I156-C240 HydrophobicContact CG2-CB 4.03Å; I156-T241 WeakPolarHBondContact CD1-OG1 3.44Å; I156-M260 HydrophobicContact CD1-CE 4Å; I156-M260 HydrophobicContact CG1-CE 3.98Å; I156-M260 HydrophobicContact CG1-SD 4.05Å |
| 157 | K | 78.8 | Confident | 82.7 | Confident | 135 Ų | 135 | 61.5 Ų | 61.5 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -71.6 | -32.4 | -175.8 | -74.2 | -176.9 | 177.3 | -177.3 | 0 | 112.9 | C153 L154 C240 | C153-K157 WeakPolarHBondContact O-CB 3.36Å; C153-K157 WeakPolarHBondContact O-CG 3.41Å; C153-K157 PolarHBondContact O-N 3.32Å; L154-K157 PolarHBondContact O-N 3.27Å; K157-C240 VanDerWaalsContact CE-SG 3.51Å |
| 158 | A | 77.9 | Confident | 82.4 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | trans | -139.1 | 62 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L154 I160 K161 F162 | L154-A158 PolarHBondContact O-N 3Å; A158-I160 VanDerWaalsContact C-N 3.28Å; A158-I160 PolarHBondContact O-N 3.01Å; A158-K161 HydrophobicContact CB-CB 4.39Å; A158-K161 PolarHBondContact O-N 3.42Å; A158-F162 WeakPolarHBondContact O-CB 3.42Å; A158-F162 PolarHBondContact O-N 2.99Å | ||
| 159 | P | 71.8 | Confident | 82.3 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.9 | -37.4 | -172.5 | 23.4 | -34 | 0 | 0 | 0 | 112.9 | A155 F162 S163 | A155-P159 WeakPolarHBondContact O-CA 3.35Å; P159-F162 PolarHBondContact O-N 3.13Å; P159-S163 VanDerWaalsContact O-CB 3.24Å; P159-S163 WeakPolarHBondContact O-CB 3.41Å; P159-S163 PolarHBondContact O-N 3.02Å; P159-S163 PolarHBondContact O-OG 2.7Å |
| 160 | I | 68 | Low | 82.3 | Confident | 126 Ų | 126 | 69.2 Ų | 69.2 | 65% | 0.646 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.6 | -49.9 | -179.2 | -60.2 | 168.3 | 0 | 0 | 0 | 111 | A158 F162 S163 | A158-I160 VanDerWaalsContact C-N 3.28Å; A158-I160 PolarHBondContact O-N 3.01Å; I160-F162 VanDerWaalsContact C-N 3.33Å; I160-F162 PolarHBondContact O-N 3.36Å; I160-S163 PolarHBondContact O-OG 3.25Å |
| 161 | K | 74.5 | Confident | 82.3 | Confident | 172 Ų | 172 | 69.8 Ų | 69.8 | 75% | 0.748 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.7 | -40.6 | 179.3 | -66.9 | -175.3 | 179.2 | -177.3 | 0 | 110.7 | A158 K164 | A158-K161 HydrophobicContact CB-CB 4.39Å; A158-K161 PolarHBondContact O-N 3.42Å; K161-K164 PolarHBondContact O-N 3.33Å |
| 162 | F | 74.2 | Confident | 82.6 | Confident | 28 Ų | 28 | 76.8 Ų | 76.8 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -78.8 | -22.1 | -175.1 | -148.1 | -116.6 | 0 | 0 | 0 | 114 | R77 D151 L154 A155 A158 P159 I160 K164 V165 | R77-F162 VanDerWaalsContact NH1-CD1 3.3Å; R77-F162 PolarHBondContact NH2-O 3.16Å; D151-F162 HydrophobicContact CB-CE1 4.47Å; D151-F162 HydrophobicContact CB-CZ 4.2Å; D151-F162 VanDerWaalsContact CG-CE1 3.49Å; D151-F162 VanDerWaalsContact CG-CZ 3.48Å; D151-F162 WeakPolarHBondContact O-CE1 3.41Å; D151-F162 WeakPolarHBondContact OD1-CE1 3.43Å; D151-F162 WeakPolarHBondContact OD1-CZ 3.29Å; L154-F162 HydrophobicContact CB-CD2 4.1Å; L154-F162 HydrophobicContact CB-CE2 3.92Å; L154-F162 HydrophobicContact CB-CZ 4.17Å; L154-F162 HydrophobicContact CD1-CE2 4.18Å; A155-F162 HydrophobicContact CB-CD1 3.6Å; A155-F162 HydrophobicContact CB-CE1 3.94Å; A158-F162 WeakPolarHBondContact O-CB 3.42Å; A158-F162 PolarHBondContact O-N 2.99Å; P159-F162 PolarHBondContact O-N 3.13Å; I160-F162 VanDerWaalsContact C-N 3.33Å; I160-F162 PolarHBondContact O-N 3.36Å; F162-K164 PolarHBondContact O-N 3.09Å; F162-V165 HydrophobicContact CD2-CG2 4Å; F162-V165 HydrophobicContact CE2-CG2 4.34Å; F162-V165 PolarHBondContact O-N 3.23Å |
| 163 | S | 70.5 | Confident | 83 | Confident | 81 Ų | 81 | 77.6 Ų | 77.6 | 57% | 0.566 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.8 | -26.1 | 173.5 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | P159 I160 | P159-S163 VanDerWaalsContact O-CB 3.24Å; P159-S163 WeakPolarHBondContact O-CB 3.41Å; P159-S163 PolarHBondContact O-N 3.02Å; P159-S163 PolarHBondContact O-OG 2.7Å; I160-S163 PolarHBondContact O-OG 3.25Å |
| 164 | K | 77.1 | Confident | 83.4 | Confident | 172 Ų | 172 | 77.1 Ų | 77.1 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -14.9 | 179.4 | -62.5 | -174.5 | 178.3 | -174.3 | 0 | 113.6 | K161 F162 Q166 | K161-K164 PolarHBondContact O-N 3.33Å; F162-K164 PolarHBondContact O-N 3.09Å; K164-Q166 PolarHBondContact O-N 3.42Å |
| 165 | V | 80.7 | Confident | 83.9 | Confident | 48 Ų | 48 | 75 Ų | 75 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | trans | -76 | 114.9 | -176.6 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | R77 F162 H169 | R77-V165 WeakPolarHBondContact CD-O 3.4Å; R77-V165 PolarHBondContact NE-O 2.74Å; R77-V165 VanDerWaalsContact NE-O 3.16Å; R77-V165 VanDerWaalsContact NH1-CB 3.26Å; R77-V165 VanDerWaalsContact NH1-CG1 3.28Å; F162-V165 HydrophobicContact CD2-CG2 4Å; F162-V165 HydrophobicContact CE2-CG2 4.34Å; F162-V165 PolarHBondContact O-N 3.23Å; V165-H169 HydrophobicContact CG1-CB 3.98Å | ||
| 166 | Q | 84.2 | Confident | 84.6 | Confident | 132 Ų | 132 | 78.8 Ų | 78.8 | 62% | 0.617 | 40% | 0.399 | S | S | * | . | trans | -74.7 | 157.1 | -177.9 | -60.6 | -179.9 | -7.5 | 0 | 0 | 112.8 | K164 H168 H169 | K164-Q166 PolarHBondContact O-N 3.42Å; Q166-H168 PolarHBondContact O-N 3.26Å; Q166-H169 PolarHBondContact N-ND1 3.18Å; Q166-H169 PolarHBondContact O-N 3.06Å; Q166-H169 VanDerWaalsContact O-N 3.16Å; Q166-H169 PolarHBondContact O-ND1 3.36Å; Q166-H169 VanDerWaalsContact O-ND1 3.13Å | ||
| 167 | S | 86 | Confident | 85.5 | Confident | 46 Ų | 46 | 79.3 Ų | 79.3 | 32% | 0.322 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.2 | -30.8 | 176.7 | -69 | 0 | 0 | 0 | 0 | 114.8 | M75 I80 H169 A170 | M75-S167 WeakPolarHBondContact O-CB 3.45Å; M75-S167 PolarHBondContact O-OG 3.02Å; I80-S167 WeakPolarHBondContact CD1-O 3.3Å; S167-H169 VanDerWaalsContact C-N 3.27Å; S167-H169 PolarHBondContact O-N 2.94Å; S167-A170 WeakPolarHBondContact O-CB 3.42Å; S167-A170 PolarHBondContact O-N 3.02Å; S167-A170 VanDerWaalsContact O-N 3.12Å |
| 168 | H | 89.8 | Confident | 86.4 | Confident | 109 Ų | 109 | 75.4 Ų | 75.4 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.4 | -35.1 | 178.2 | 179.5 | -118.1 | 0 | 0 | 0 | 113.4 | Q166 A170 W171 W172 | Q166-H168 PolarHBondContact O-N 3.26Å; H168-A170 PolarHBondContact O-N 2.75Å; H168-W171 WeakPolarHBondContact O-CB 3.34Å; H168-W171 PolarHBondContact O-N 3.39Å; H168-W171 VanDerWaalsContact O-N 3.15Å; H168-W172 AromaticContact CD2-NE1 3.87Å; H168-W172 AromaticContact CE1-CD1 3.52Å; H168-W172 AromaticContact CE1-NE1 2.89Å; H168-W172 PolarHBondContact CE1-NE1 3.44Å; H168-W172 AromaticContact ND1-CD1 3.74Å; H168-W172 AromaticContact ND1-NE1 3.6Å; H168-W172 AromaticContact NE2-CD1 3.74Å; H168-W172 AromaticContact NE2-NE1 3.03Å; H168-W172 PolarHBondContact NE2-NE1 2.98Å; H168-W172 PolarHBondContact O-N 3.11Å |
| 169 | H | 91.4 | Very high | 87.4 | Confident | 94 Ų | 94 | 76 Ų | 76 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.3 | -29.5 | 178.1 | -58.5 | 90.8 | 0 | 0 | 0 | 112.8 | V165 Q166 S167 W171 W172 A173 | V165-H169 HydrophobicContact CG1-CB 3.98Å; Q166-H169 PolarHBondContact N-ND1 3.18Å; Q166-H169 PolarHBondContact O-N 3.06Å; Q166-H169 VanDerWaalsContact O-N 3.16Å; Q166-H169 PolarHBondContact O-ND1 3.36Å; Q166-H169 VanDerWaalsContact O-ND1 3.13Å; S167-H169 VanDerWaalsContact C-N 3.27Å; S167-H169 PolarHBondContact O-N 2.94Å; H169-W171 VanDerWaalsContact C-N 3.33Å; H169-W172 PolarHBondContact O-N 2.83Å; H169-A173 WeakPolarHBondContact O-CB 3.31Å; H169-A173 PolarHBondContact O-N 3.17Å |
| 170 | A | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.2 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R77 I80 Y81 S167 H168 A173 C174 | R77-A170 HydrophobicContact CB-CB 4.02Å; R77-A170 HydrophobicContact CG-CB 3.92Å; I80-A170 HydrophobicContact CB-CB 4.01Å; I80-A170 HydrophobicContact CD1-CB 3.82Å; I80-A170 HydrophobicContact CG2-CB 4.09Å; Y81-A170 HydrophobicContact CD1-CB 4.43Å; Y81-A170 HydrophobicContact CE1-CB 3.64Å; Y81-A170 HydrophobicContact CE2-CB 4.45Å; S167-A170 WeakPolarHBondContact O-CB 3.42Å; S167-A170 PolarHBondContact O-N 3.02Å; S167-A170 VanDerWaalsContact O-N 3.12Å; H168-A170 PolarHBondContact O-N 2.75Å; A170-A173 PolarHBondContact O-N 3.34Å; A170-C174 PolarHBondContact O-N 2.83Å; A170-C174 PolarHBondContact O-SG 3.48Å |
| 171 | W | 94.6 | Very high | 90 | Very high | 66 Ų | 66 | 70.2 Ų | 70.2 | 25% | 0.25 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 173.4 | -78.8 | 108.5 | 0 | 0 | 0 | 111.9 | M75 I80 L83 H168 H169 C174 G175 | M75-W171 HydrophobicContact CE-CZ2 3.72Å; I80-W171 HydrophobicContact CD1-CG 4.35Å; I80-W171 HydrophobicContact CG1-CZ2 4.45Å; I80-W171 HydrophobicContact CG2-CD2 3.72Å; I80-W171 HydrophobicContact CG2-CE3 4.04Å; I80-W171 HydrophobicContact CG2-CG 4.02Å; I80-W171 HydrophobicContact CG2-CZ2 4.32Å; I80-W171 HydrophobicContact CG2-CZ3 4.47Å; L83-W171 HydrophobicContact CD2-CH2 3.67Å; L83-W171 HydrophobicContact CD2-CZ2 4.18Å; H168-W171 WeakPolarHBondContact O-CB 3.34Å; H168-W171 PolarHBondContact O-N 3.39Å; H168-W171 VanDerWaalsContact O-N 3.15Å; H169-W171 VanDerWaalsContact C-N 3.33Å; W171-C174 PolarHBondContact O-N 3.45Å; W171-G175 PolarHBondContact O-N 3.47Å |
| 172 | W | 95.9 | Very high | 91.1 | Very high | 163 Ų | 163 | 66.1 Ų | 66.1 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.9 | -44.8 | 174.4 | -74.6 | 100.8 | 0 | 0 | 0 | 112 | H168 H169 C174 G175 I176 | H168-W172 AromaticContact CD2-NE1 3.87Å; H168-W172 AromaticContact CE1-CD1 3.52Å; H168-W172 AromaticContact CE1-NE1 2.89Å; H168-W172 PolarHBondContact CE1-NE1 3.44Å; H168-W172 AromaticContact ND1-CD1 3.74Å; H168-W172 AromaticContact ND1-NE1 3.6Å; H168-W172 AromaticContact NE2-CD1 3.74Å; H168-W172 AromaticContact NE2-NE1 3.03Å; H168-W172 PolarHBondContact NE2-NE1 2.98Å; H168-W172 PolarHBondContact O-N 3.11Å; H169-W172 PolarHBondContact O-N 2.83Å; W172-C174 PolarHBondContact O-N 3.33Å; W172-G175 PolarHBondContact O-N 2.98Å; W172-I176 VanDerWaalsContact O-CG1 3.3Å; W172-I176 WeakPolarHBondContact O-CG1 3.29Å; W172-I176 PolarHBondContact O-N 3.01Å |
| 173 | A | 96.3 | Very high | 92.2 | Very high | 24 Ų | 24 | 70 Ų | 70 | 20% | 0.198 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y81 L147 H169 A170 I176 I177 | Y81-A173 HydrophobicContact CE1-CB 4.37Å; L147-A173 HydrophobicContact CD1-CB 4.21Å; L147-A173 HydrophobicContact CD2-CB 3.81Å; H169-A173 WeakPolarHBondContact O-CB 3.31Å; H169-A173 PolarHBondContact O-N 3.17Å; A170-A173 PolarHBondContact O-N 3.34Å; A173-I176 PolarHBondContact O-N 2.97Å; A173-I177 WeakPolarHBondContact O-CG1 3.24Å; A173-I177 PolarHBondContact O-N 2.91Å |
| 174 | C | 97.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 173.6 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | Y81 C84 L144 A170 W171 W172 I176 I177 Y178 | Y81-C174 VanDerWaalsContact CD1-SG 3.55Å; C84-C174 HydrophobicContact CB-CB 4.37Å; C84-C174 PolarHBondContact SG-SG 2.98Å; L144-C174 HydrophobicContact CD2-CB 4.28Å; A170-C174 PolarHBondContact O-N 2.83Å; A170-C174 PolarHBondContact O-SG 3.48Å; W171-C174 PolarHBondContact O-N 3.45Å; W172-C174 PolarHBondContact O-N 3.33Å; C174-I176 VanDerWaalsContact C-N 3.35Å; C174-I176 PolarHBondContact O-N 3.43Å; C174-I177 PolarHBondContact O-N 3.24Å; C174-Y178 VanDerWaalsContact O-CD2 3.24Å; C174-Y178 WeakPolarHBondContact O-CD2 3.2Å; C174-Y178 PolarHBondContact O-N 3.24Å |
| 175 | G | 97.5 | Very high | 94.3 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W171 W172 Y178 A179 | W171-G175 PolarHBondContact O-N 3.47Å; W172-G175 PolarHBondContact O-N 2.98Å; G175-Y178 PolarHBondContact O-N 3.48Å; G175-A179 PolarHBondContact O-N 3.36Å |
| 176 | I | 98.1 | Very high | 94.9 | Very high | 101 Ų | 101 | 60 Ų | 60 | 52% | 0.518 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.3 | -68.2 | 165.6 | 0 | 0 | 0 | 110.5 | W172 A173 C174 Y178 A179 V180 | W172-I176 VanDerWaalsContact O-CG1 3.3Å; W172-I176 WeakPolarHBondContact O-CG1 3.29Å; W172-I176 PolarHBondContact O-N 3.01Å; A173-I176 PolarHBondContact O-N 2.97Å; C174-I176 VanDerWaalsContact C-N 3.35Å; C174-I176 PolarHBondContact O-N 3.43Å; I176-Y178 VanDerWaalsContact C-N 3.34Å; I176-Y178 PolarHBondContact O-N 2.94Å; I176-A179 PolarHBondContact O-N 3.49Å; I176-V180 HydrophobicContact CG2-CG2 4.19Å; I176-V180 WeakPolarHBondContact O-CB 3.49Å; I176-V180 VanDerWaalsContact O-CG2 3.29Å; I176-V180 WeakPolarHBondContact O-CG2 3.23Å; I176-V180 PolarHBondContact O-N 3.42Å |
| 177 | I | 98 | Very high | 95.3 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 16% | 0.164 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 178.2 | -71.9 | -59.3 | 0 | 0 | 0 | 112 | N143 L144 L147 A173 C174 V180 S181 | N143-I177 HydrophobicContact CB-CG2 3.6Å; L144-I177 HydrophobicContact CD2-CB 4.16Å; L144-I177 HydrophobicContact CD2-CG2 3.78Å; L144-I177 HydrophobicContact CG-CG2 3.83Å; L147-I177 HydrophobicContact CB-CG1 4.23Å; L147-I177 HydrophobicContact CD2-CG1 3.72Å; L147-I177 HydrophobicContact CG-CG1 4.43Å; A173-I177 WeakPolarHBondContact O-CG1 3.24Å; A173-I177 PolarHBondContact O-N 2.91Å; C174-I177 PolarHBondContact O-N 3.24Å; I177-V180 PolarHBondContact O-N 2.9Å; I177-S181 VanDerWaalsContact O-CB 3.27Å; I177-S181 WeakPolarHBondContact O-CB 3.29Å; I177-S181 PolarHBondContact O-N 3.25Å; I177-S181 PolarHBondContact O-OG 3.42Å |
| 178 | Y | 98.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 173.3 | -79.2 | -57.3 | 0 | 0 | 0 | 111.8 | C84 S88 F136 L144 C174 G175 I176 V180 S181 F182 | C84-Y178 WeakPolarHBondContact CA-OH 3.36Å; C84-Y178 HydrophobicContact CB-CE2 4.03Å; C84-Y178 PolarHBondContact O-OH 3.03Å; S88-Y178 WeakPolarHBondContact OG-CE1 3.48Å; S88-Y178 PolarHBondContact OG-OH 2.88Å; F136-Y178 HydrophobicContact CE2-CD1 4.18Å; F136-Y178 AromaticContact CZ-CD1 3.83Å; F136-Y178 HydrophobicContact CZ-CD1 3.83Å; F136-Y178 HydrophobicContact CZ-CE1 4.49Å; L144-Y178 HydrophobicContact CD1-CE1 4.11Å; C174-Y178 VanDerWaalsContact O-CD2 3.24Å; C174-Y178 WeakPolarHBondContact O-CD2 3.2Å; C174-Y178 PolarHBondContact O-N 3.24Å; G175-Y178 PolarHBondContact O-N 3.48Å; I176-Y178 VanDerWaalsContact C-N 3.34Å; I176-Y178 PolarHBondContact O-N 2.94Å; Y178-V180 PolarHBondContact O-N 3.25Å; Y178-S181 PolarHBondContact O-N 3.47Å; Y178-F182 WeakPolarHBondContact O-CB 3.48Å; Y178-F182 PolarHBondContact O-N 3.32Å |
| 179 | A | 98.1 | Very high | 95.7 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G175 I176 S181 F182 L183 | G175-A179 PolarHBondContact O-N 3.36Å; I176-A179 PolarHBondContact O-N 3.49Å; A179-S181 PolarHBondContact O-N 2.99Å; A179-F182 PolarHBondContact O-N 3.21Å; A179-L183 WeakPolarHBondContact O-CB 3.47Å; A179-L183 VanDerWaalsContact O-CG 3.27Å; A179-L183 WeakPolarHBondContact O-CG 3.29Å; A179-L183 PolarHBondContact O-N 3.5Å |
| 180 | V | 97.6 | Very high | 95.6 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 38% | 0.382 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 176.1 | 170 | 0 | 0 | 0 | 0 | 110.9 | I176 I177 Y178 F182 L183 M184 | I176-V180 HydrophobicContact CG2-CG2 4.19Å; I176-V180 WeakPolarHBondContact O-CB 3.49Å; I176-V180 VanDerWaalsContact O-CG2 3.29Å; I176-V180 WeakPolarHBondContact O-CG2 3.23Å; I176-V180 PolarHBondContact O-N 3.42Å; I177-V180 PolarHBondContact O-N 2.9Å; Y178-V180 PolarHBondContact O-N 3.25Å; V180-F182 VanDerWaalsContact C-N 3.31Å; V180-F182 PolarHBondContact O-N 3.45Å; V180-L183 PolarHBondContact O-N 3.01Å; V180-M184 HydrophobicContact CG1-CG 4.22Å; V180-M184 HydrophobicContact CG1-SD 3.82Å; V180-M184 WeakPolarHBondContact O-CB 3.34Å; V180-M184 WeakPolarHBondContact O-CG 3.48Å; V180-M184 PolarHBondContact O-N 3.37Å |
| 181 | S | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | S140 N143 I177 Y178 A179 M185 | S140-S181 WeakPolarHBondContact OG-CB 3.47Å; N143-S181 PolarHBondContact ND2-OG 3.04Å; I177-S181 VanDerWaalsContact O-CB 3.27Å; I177-S181 WeakPolarHBondContact O-CB 3.29Å; I177-S181 PolarHBondContact O-N 3.25Å; I177-S181 PolarHBondContact O-OG 3.42Å; Y178-S181 PolarHBondContact O-N 3.47Å; A179-S181 PolarHBondContact O-N 2.99Å; S181-M185 WeakPolarHBondContact O-CG 3.32Å; S181-M185 PolarHBondContact O-N 2.65Å |
| 182 | F | 97.4 | Very high | 95.4 | Very high | 86 Ų | 86 | 50.9 Ų | 50.9 | 38% | 0.377 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.2 | -50 | 174.5 | -178 | -100 | 0 | 0 | 0 | 111.2 | L132 F136 Y178 A179 V180 M184 M185 L186 | L132-F182 HydrophobicContact CD2-CE2 4.26Å; F136-F182 HydrophobicContact CD2-CB 3.84Å; F136-F182 HydrophobicContact CD2-CD2 4.21Å; F136-F182 HydrophobicContact CE2-CB 3.83Å; F136-F182 HydrophobicContact CG-CD2 4.45Å; Y178-F182 WeakPolarHBondContact O-CB 3.48Å; Y178-F182 PolarHBondContact O-N 3.32Å; A179-F182 PolarHBondContact O-N 3.21Å; V180-F182 VanDerWaalsContact C-N 3.31Å; V180-F182 PolarHBondContact O-N 3.45Å; F182-M184 VanDerWaalsContact C-N 3.31Å; F182-M184 PolarHBondContact O-N 2.83Å; F182-M185 CarbonylContact O-C 3.26Å; F182-M185 PolarHBondContact O-N 2.7Å; F182-M185 VanDerWaalsContact O-N 3.1Å; F182-L186 HydrophobicContact CE1-CD1 3.9Å; F182-L186 HydrophobicContact CE1-CD2 4.42Å; F182-L186 HydrophobicContact CZ-CD1 3.82Å; F182-L186 WeakPolarHBondContact O-CB 3.46Å; F182-L186 PolarHBondContact O-N 2.93Å |
| 183 | L | 97.1 | Very high | 95 | Very high | 110 Ų | 110 | 45.3 Ų | 45.3 | 58% | 0.576 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61 | -38.4 | 178.4 | -71.3 | 173.6 | 0 | 0 | 0 | 112.4 | A179 V180 M185 P187 | A179-L183 WeakPolarHBondContact O-CB 3.47Å; A179-L183 VanDerWaalsContact O-CG 3.27Å; A179-L183 WeakPolarHBondContact O-CG 3.29Å; A179-L183 PolarHBondContact O-N 3.5Å; V180-L183 PolarHBondContact O-N 3.01Å; L183-M185 VanDerWaalsContact C-N 3.31Å; L183-M185 PolarHBondContact O-N 3.24Å; L183-P187 VanDerWaalsContact O-CD 3.3Å; L183-P187 WeakPolarHBondContact O-CD 3.38Å |
| 184 | M | 95.6 | Very high | 94.6 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 18% | 0.177 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 174.5 | -74 | 173.2 | 72.2 | 0 | 0 | 111.6 | T139 V180 F182 Y215 F219 | T139-M184 HydrophobicContact CG2-CE 4.49Å; V180-M184 HydrophobicContact CG1-CG 4.22Å; V180-M184 HydrophobicContact CG1-SD 3.82Å; V180-M184 WeakPolarHBondContact O-CB 3.34Å; V180-M184 WeakPolarHBondContact O-CG 3.48Å; V180-M184 PolarHBondContact O-N 3.37Å; F182-M184 VanDerWaalsContact C-N 3.31Å; F182-M184 PolarHBondContact O-N 2.83Å; M184-Y215 WeakPolarHBondContact O-CE1 3.44Å; M184-Y215 PolarHBondContact O-OH 3.29Å; M184-F219 HydrophobicContact CE-CB 3.94Å; M184-F219 HydrophobicContact CE-CD1 3.32Å; M184-F219 HydrophobicContact CE-CE1 4Å; M184-F219 HydrophobicContact CE-CG 3.84Å |
| 185 | M | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -91.4 | -11 | -175.1 | -62.8 | -60.2 | 107.9 | 0 | 0 | 113.9 | L132 T139 S181 F182 L183 F188 G189 Y215 F219 | L132-M185 HydrophobicContact CD1-CB 4.41Å; T139-M185 HydrophobicContact CG2-CE 4.4Å; T139-M185 HydrophobicContact CG2-CG 4.42Å; S181-M185 WeakPolarHBondContact O-CG 3.32Å; S181-M185 PolarHBondContact O-N 2.65Å; F182-M185 CarbonylContact O-C 3.26Å; F182-M185 PolarHBondContact O-N 2.7Å; F182-M185 VanDerWaalsContact O-N 3.1Å; L183-M185 VanDerWaalsContact C-N 3.31Å; L183-M185 PolarHBondContact O-N 3.24Å; M185-F188 WeakPolarHBondContact O-CB 3.34Å; M185-F188 PolarHBondContact O-N 3.33Å; M185-G189 PolarHBondContact O-N 2.99Å; M185-Y215 HydrophobicContact CE-CE1 3.94Å; M185-F219 HydrophobicContact CE-CB 3.85Å |
| 186 | L | 94.4 | Very high | 93.1 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | -179.3 | -171.3 | 67.7 | 0 | 0 | 0 | 113.2 | F182 F188 G189 I190 | F182-L186 HydrophobicContact CE1-CD1 3.9Å; F182-L186 HydrophobicContact CE1-CD2 4.42Å; F182-L186 HydrophobicContact CZ-CD1 3.82Å; F182-L186 WeakPolarHBondContact O-CB 3.46Å; F182-L186 PolarHBondContact O-N 2.93Å; L186-F188 VanDerWaalsContact C-N 3.28Å; L186-F188 PolarHBondContact O-N 2.93Å; L186-G189 PolarHBondContact O-N 3.39Å; L186-G189 VanDerWaalsContact O-N 3.15Å; L186-I190 HydrophobicContact CD1-CD1 4.25Å; L186-I190 HydrophobicContact CD1-CG1 4.47Å; L186-I190 HydrophobicContact CG-CD1 3.89Å; L186-I190 HydrophobicContact CG-CG1 4.49Å; L186-I190 WeakPolarHBondContact O-CG1 3.35Å; L186-I190 PolarHBondContact O-N 3.18Å |
| 187 | P | 92.5 | Very high | 91.8 | Very high | 59 Ų | 59 | 56.1 Ų | 56.1 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 176.8 | -24.2 | 34.3 | 0 | 0 | 0 | 112.7 | L183 I190 L191 | L183-P187 VanDerWaalsContact O-CD 3.3Å; L183-P187 WeakPolarHBondContact O-CD 3.38Å; P187-I190 PolarHBondContact O-N 2.99Å; P187-L191 WeakPolarHBondContact O-CB 3.46Å; P187-L191 WeakPolarHBondContact O-CG 3.41Å; P187-L191 PolarHBondContact O-N 3.41Å; P187-L191 VanDerWaalsContact O-N 3.1Å |
| 188 | F | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 176.2 | 176 | -101.6 | 0 | 0 | 0 | 111.7 | R131 S135 M185 L186 I190 L191 V192 W204 I205 H216 | R131-F188 HydrophobicContact CB-CE1 3.9Å; S135-F188 WeakPolarHBondContact OG-CD1 3.35Å; S135-F188 VanDerWaalsContact OG-CE1 3.29Å; S135-F188 WeakPolarHBondContact OG-CE1 3.19Å; M185-F188 WeakPolarHBondContact O-CB 3.34Å; M185-F188 PolarHBondContact O-N 3.33Å; L186-F188 VanDerWaalsContact C-N 3.28Å; L186-F188 PolarHBondContact O-N 2.93Å; F188-I190 VanDerWaalsContact C-N 3.31Å; F188-I190 PolarHBondContact O-N 3.15Å; F188-L191 PolarHBondContact O-N 3.12Å; F188-V192 WeakPolarHBondContact O-CB 3.35Å; F188-V192 PolarHBondContact O-N 3.26Å; F188-W204 HydrophobicContact CE2-CH2 4.38Å; F188-W204 HydrophobicContact CE2-CZ3 4.34Å; F188-W204 HydrophobicContact CZ-CH2 4.31Å; F188-W204 AromaticContact CZ-CZ3 3.93Å; F188-W204 HydrophobicContact CZ-CZ3 3.93Å; F188-I205 HydrophobicContact CD2-CD1 3.66Å; F188-I205 HydrophobicContact CD2-CG1 4.36Å; F188-I205 HydrophobicContact CE2-CD1 3.58Å; F188-I205 HydrophobicContact CE2-CG1 4.15Å; F188-H216 AromaticContact CD1-CD2 3.63Å; F188-H216 HydrophobicContact CD2-CB 3.62Å; F188-H216 AromaticContact CD2-CD2 3.76Å; F188-H216 AromaticContact CD2-CG 3.6Å; F188-H216 AromaticContact CE1-CD2 3.58Å; F188-H216 AromaticContact CE1-NE2 3.52Å; F188-H216 HydrophobicContact CE2-CB 3.88Å; F188-H216 AromaticContact CE2-CD2 3.75Å; F188-H216 AromaticContact CE2-CG 3.49Å; F188-H216 VanDerWaalsContact CE2-CG 3.49Å; F188-H216 AromaticContact CE2-ND1 3.7Å; F188-H216 HydrophobicContact CG-CB 4.22Å; F188-H216 AromaticContact CG-CD2 3.72Å; F188-H216 AromaticContact CZ-CD2 3.66Å; F188-H216 AromaticContact CZ-CE1 3.63Å; F188-H216 AromaticContact CZ-CG 3.8Å; F188-H216 AromaticContact CZ-ND1 3.79Å; F188-H216 AromaticContact CZ-NE2 3.6Å |
| 189 | G | 90.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -31.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M185 L186 V192 | M185-G189 PolarHBondContact O-N 2.99Å; L186-G189 PolarHBondContact O-N 3.39Å; L186-G189 VanDerWaalsContact O-N 3.15Å; G189-V192 WeakPolarHBondContact O-CG1 3.17Å |
| 190 | I | 90.8 | Very high | 87.6 | Confident | 103 Ų | 103 | 65.9 Ų | 65.9 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.6 | -45.9 | 177.5 | -67.6 | 168.7 | 0 | 0 | 0 | 111.2 | L186 P187 F188 | L186-I190 HydrophobicContact CD1-CD1 4.25Å; L186-I190 HydrophobicContact CD1-CG1 4.47Å; L186-I190 HydrophobicContact CG-CD1 3.89Å; L186-I190 HydrophobicContact CG-CG1 4.49Å; L186-I190 WeakPolarHBondContact O-CG1 3.35Å; L186-I190 PolarHBondContact O-N 3.18Å; P187-I190 PolarHBondContact O-N 2.99Å; F188-I190 VanDerWaalsContact C-N 3.31Å; F188-I190 PolarHBondContact O-N 3.15Å |
| 191 | L | 91.4 | Very high | 86.5 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -85.1 | -12.6 | -171.1 | -67.4 | 171.4 | 0 | 0 | 0 | 114 | P187 F188 T193 L212 | P187-L191 WeakPolarHBondContact O-CB 3.46Å; P187-L191 WeakPolarHBondContact O-CG 3.41Å; P187-L191 PolarHBondContact O-N 3.41Å; P187-L191 VanDerWaalsContact O-N 3.1Å; F188-L191 PolarHBondContact O-N 3.12Å; L191-T193 PolarHBondContact O-N 2.78Å; L191-L212 HydrophobicContact CB-CD2 3.65Å; L191-L212 HydrophobicContact CD1-CD2 3.53Å; L191-L212 HydrophobicContact CG-CD2 4.23Å |
| 192 | V | 90.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -65.7 | 130.5 | 173.7 | 71.9 | 0 | 0 | 0 | 0 | 110.3 | K128 R131 F188 G189 | K128-V192 HydrophobicContact CB-CG1 4.2Å; K128-V192 WeakPolarHBondContact CE-O 3.41Å; K128-V192 HydrophobicContact CG-CG1 3.79Å; K128-V192 WeakPolarHBondContact CG-O 3.36Å; R131-V192 HydrophobicContact CB-CG1 4.1Å; R131-V192 HydrophobicContact CB-CG2 4.41Å; R131-V192 HydrophobicContact CG-CG2 4.09Å; F188-V192 WeakPolarHBondContact O-CB 3.35Å; F188-V192 PolarHBondContact O-N 3.26Å; G189-V192 WeakPolarHBondContact O-CG1 3.17Å | ||
| 193 | T | 89.2 | Confident | 85.1 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 29% | 0.288 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 151.5 | -178.1 | 55 | 0 | 0 | 0 | 0 | 111.5 | L191 N195 W204 | L191-T193 PolarHBondContact O-N 2.78Å; T193-N195 PolarHBondContact O-N 2.71Å; T193-N195 PolarHBondContact O-ND2 3.07Å; T193-N195 PolarHBondContact OG1-ND2 2.92Å; T193-N195 PolarHBondContact OG1-OD1 3.15Å; T193-W204 PolarHBondContact N-O 3.23Å; T193-W204 PolarHBondContact O-N 2.95Å; T193-W204 PolarHBondContact OG1-O 2.9Å |
| 194 | W | 86.7 | Confident | 84.6 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 100.3 | 169.4 | -174.6 | 66.6 | 0 | 0 | 0 | 107.8 | S121 C127 H201 | S121-W194 PolarHBondContact O-NE1 3.23Å; C127-W194 HydrophobicContact CB-CB 4.28Å; W194-H201 AromaticContact CE2-CG 3.7Å; W194-H201 AromaticContact CE2-ND1 3.45Å; W194-H201 AromaticContact CH2-CE1 3.43Å; W194-H201 VanDerWaalsContact CH2-CE1 3.43Å; W194-H201 WeakPolarHBondContact CH2-CE1 3.36Å; W194-H201 AromaticContact CH2-ND1 3.6Å; W194-H201 AromaticContact CH2-NE2 3.95Å; W194-H201 HydrophobicContact CZ2-CB 4.04Å; W194-H201 AromaticContact CZ2-CD2 3.84Å; W194-H201 AromaticContact CZ2-CE1 3.51Å; W194-H201 AromaticContact CZ2-CG 3.45Å; W194-H201 VanDerWaalsContact CZ2-CG 3.45Å; W194-H201 AromaticContact CZ2-ND1 3.24Å; W194-H201 WeakPolarHBondContact CZ2-ND1 3.48Å; W194-H201 AromaticContact CZ2-NE2 3.88Å; W194-H201 AromaticContact NE1-CG 3.91Å |
| 195 | N | 84.4 | Confident | 84 | Confident | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 150.7 | -171.9 | -58.3 | -61.2 | 0 | 0 | 0 | 110.4 | T193 H201 F202 W204 | T193-N195 PolarHBondContact O-N 2.71Å; T193-N195 PolarHBondContact O-ND2 3.07Å; T193-N195 PolarHBondContact OG1-ND2 2.92Å; T193-N195 PolarHBondContact OG1-OD1 3.15Å; N195-H201 WeakPolarHBondContact O-CA 3.39Å; N195-F202 HydrophobicContact CB-CD1 3.95Å; N195-F202 HydrophobicContact CB-CD2 4.19Å; N195-F202 HydrophobicContact CB-CE1 3.37Å; N195-F202 HydrophobicContact CB-CE2 3.69Å; N195-F202 HydrophobicContact CB-CG 4.32Å; N195-F202 HydrophobicContact CB-CZ 3.25Å; N195-F202 PolarHBondContact N-O 3.48Å; N195-F202 WeakPolarHBondContact ND2-CE2 3.29Å; N195-F202 PolarHBondContact O-N 2.82Å; N195-W204 PolarHBondContact ND2-O 3.42Å |
| 196 | R | 79 | Confident | 83.1 | Confident | 168 Ų | 168 | 67.9 Ų | 67.9 | 63% | 0.634 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126.3 | 171.8 | -172.2 | 176.2 | 175.2 | 168.8 | 3 | 109.6 | K198 D199 E200 | R196-K198 WeakPolarHBondContact CG-O 3.5Å; R196-K198 PolarHBondContact NE-O 2.81Å; R196-D199 IonicContact NH2-OD1 3.67Å; R196-D199 PolarHBondContact NH2-OD1 3.2Å; R196-D199 VanDerWaalsContact NH2-OD1 3.13Å; R196-E200 WeakPolarHBondContact CA-O 3.23Å |
| 197 | K | 71.9 | Confident | 81.7 | Confident | 111 Ų | 111 | 73.5 Ų | 73.5 | 48% | 0.483 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 117.9 | 167.2 | -173.7 | 174.2 | -174 | 177.2 | 0 | 107.8 | D199 E200 F202 | K197-D199 PolarHBondContact O-N 3.02Å; K197-D199 VanDerWaalsContact O-N 3.14Å; K197-E200 PolarHBondContact N-O 3.02Å; K197-E200 PolarHBondContact O-N 2.82Å; K197-F202 HydrophobicContact CB-CD1 4.12Å; K197-F202 HydrophobicContact CB-CE1 3.73Å |
| 198 | K | 71 | Confident | 80.3 | Confident | 163 Ų | 163 | 75.5 Ų | 75.5 | 71% | 0.709 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | -113.8 | -169.7 | -55.8 | 177.6 | 177.1 | -179.4 | 0 | 109.8 | R196 | R196-K198 WeakPolarHBondContact CG-O 3.5Å; R196-K198 PolarHBondContact NE-O 2.81Å |
| 199 | D | 68.3 | Low | 79.5 | Confident | 132 Ų | 132 | 78.9 Ų | 78.9 | 71% | 0.706 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 14.7 | 179.5 | -63.4 | -47.5 | 0 | 0 | 0 | 113.7 | R196 K197 | R196-D199 IonicContact NH2-OD1 3.67Å; R196-D199 PolarHBondContact NH2-OD1 3.2Å; R196-D199 VanDerWaalsContact NH2-OD1 3.13Å; K197-D199 PolarHBondContact O-N 3.02Å; K197-D199 VanDerWaalsContact O-N 3.14Å |
| 200 | E | 66.6 | Low | 78.9 | Confident | 45 Ų | 45 | 85.5 Ų | 85.5 | 21% | 0.21 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.4 | -176.1 | -70.2 | 167.1 | 176.1 | 0 | 0 | 112.3 | F10 T11 D12 R196 K197 | F10-E200 VanDerWaalsContact O-OE2 3.14Å; T11-E200 VanDerWaalsContact CA-CD 3.5Å; T11-E200 WeakPolarHBondContact CA-OE1 3.49Å; T11-E200 VanDerWaalsContact CA-OE2 3.23Å; T11-E200 WeakPolarHBondContact CA-OE2 3.5Å; T11-E200 WeakPolarHBondContact CG2-OE1 3.36Å; T11-E200 WeakPolarHBondContact CG2-OE2 3.33Å; D12-E200 PolarHBondContact N-OE1 3.37Å; R196-E200 WeakPolarHBondContact CA-O 3.23Å; K197-E200 PolarHBondContact N-O 3.02Å; K197-E200 PolarHBondContact O-N 2.82Å |
| 201 | H | 74.8 | Confident | 78.7 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.5 | 174.8 | -68.4 | -75 | 0 | 0 | 0 | 110.3 | W194 N195 | W194-H201 AromaticContact CE2-CG 3.7Å; W194-H201 AromaticContact CE2-ND1 3.45Å; W194-H201 AromaticContact CH2-CE1 3.43Å; W194-H201 VanDerWaalsContact CH2-CE1 3.43Å; W194-H201 WeakPolarHBondContact CH2-CE1 3.36Å; W194-H201 AromaticContact CH2-ND1 3.6Å; W194-H201 AromaticContact CH2-NE2 3.95Å; W194-H201 HydrophobicContact CZ2-CB 4.04Å; W194-H201 AromaticContact CZ2-CD2 3.84Å; W194-H201 AromaticContact CZ2-CE1 3.51Å; W194-H201 AromaticContact CZ2-CG 3.45Å; W194-H201 VanDerWaalsContact CZ2-CG 3.45Å; W194-H201 AromaticContact CZ2-ND1 3.24Å; W194-H201 WeakPolarHBondContact CZ2-ND1 3.48Å; W194-H201 AromaticContact CZ2-NE2 3.88Å; W194-H201 AromaticContact NE1-CG 3.91Å; N195-H201 WeakPolarHBondContact O-CA 3.39Å |
| 202 | F | 79.8 | Confident | 78.5 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 19% | 0.193 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.3 | 173.4 | 70.6 | -82.5 | 0 | 0 | 0 | 110.8 | F10 N195 K197 W204 | F10-F202 HydrophobicContact CB-CB 4.4Å; F10-F202 HydrophobicContact CD1-CB 4.2Å; F10-F202 HydrophobicContact CG-CB 4.14Å; N195-F202 HydrophobicContact CB-CD1 3.95Å; N195-F202 HydrophobicContact CB-CD2 4.19Å; N195-F202 HydrophobicContact CB-CE1 3.37Å; N195-F202 HydrophobicContact CB-CE2 3.69Å; N195-F202 HydrophobicContact CB-CG 4.32Å; N195-F202 HydrophobicContact CB-CZ 3.25Å; N195-F202 PolarHBondContact N-O 3.48Å; N195-F202 WeakPolarHBondContact ND2-CE2 3.29Å; N195-F202 PolarHBondContact O-N 2.82Å; K197-F202 HydrophobicContact CB-CD1 4.12Å; K197-F202 HydrophobicContact CB-CE1 3.73Å; F202-W204 HydrophobicContact CD2-CB 3.85Å; F202-W204 HydrophobicContact CE2-CB 4.2Å |
| 203 | C | 85.2 | Confident | 78.1 | Confident | 3 Ų | 3 | 84.6 Ų | 84.6 | 2% | 0.02 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 93.5 | -178.6 | 175 | 0 | 0 | 0 | 0 | 109.9 | I120 C127 R131 | I120-C203 HydrophobicContact CB-CB 3.93Å; I120-C203 WeakPolarHBondContact O-CB 3.17Å; C127-C203 VanDerWaalsContact C-SG 3.59Å; C127-C203 WeakPolarHBondContact CA-SG 3.29Å; C127-C203 HydrophobicContact CB-CB 3.76Å; C127-C203 WeakPolarHBondContact CB-SG 3.4Å; C127-C203 PolarHBondContact O-SG 3.49Å; C127-C203 WeakPolarHBondContact SG-CA 3.35Å; C127-C203 WeakPolarHBondContact SG-CB 3.32Å; C127-C203 CovalentContact SG-SG 2.01Å; C127-C203 PolarHBondContact SG-SG 3.44Å; R131-C203 WeakPolarHBondContact CG-SG 3.31Å; R131-C203 PolarHBondContact NE-O 3.01Å; R131-C203 PolarHBondContact NH2-O 3.46Å |
| 204 | W | 85.5 | Confident | 78 | Confident | 29 Ų | 29 | 86.7 Ų | 86.7 | 11% | 0.11 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 169.8 | -175.8 | -154.7 | -121.1 | 0 | 0 | 0 | 112.5 | F188 T193 N195 F202 H213 H216 | F188-W204 HydrophobicContact CE2-CH2 4.38Å; F188-W204 HydrophobicContact CE2-CZ3 4.34Å; F188-W204 HydrophobicContact CZ-CH2 4.31Å; F188-W204 AromaticContact CZ-CZ3 3.93Å; F188-W204 HydrophobicContact CZ-CZ3 3.93Å; T193-W204 PolarHBondContact N-O 3.23Å; T193-W204 PolarHBondContact O-N 2.95Å; T193-W204 PolarHBondContact OG1-O 2.9Å; N195-W204 PolarHBondContact ND2-O 3.42Å; F202-W204 HydrophobicContact CD2-CB 3.85Å; F202-W204 HydrophobicContact CE2-CB 4.2Å; W204-H213 AromaticContact CD1-CE1 3.29Å; W204-H213 AromaticContact CD1-ND1 3.81Å; W204-H213 AromaticContact CE2-CE1 3.89Å; W204-H213 AromaticContact CE2-ND1 3.59Å; W204-H213 AromaticContact CZ2-ND1 3.89Å; W204-H213 AromaticContact NE1-CE1 2.97Å; W204-H213 PolarHBondContact NE1-CE1 3.46Å; W204-H213 AromaticContact NE1-ND1 3.01Å; W204-H213 PolarHBondContact NE1-ND1 3.31Å; W204-H216 AromaticContact CH2-CE1 3.83Å; W204-H216 AromaticContact CH2-ND1 3.66Å |
| 205 | I | 83.8 | Confident | 78.2 | Confident | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.01 | 40% | 0.401 | C | S | . | . | trans | -73.3 | 146.9 | 175.8 | -54.4 | 150 | 0 | 0 | 0 | 109.8 | F188 D209 L212 | F188-I205 HydrophobicContact CD2-CD1 3.66Å; F188-I205 HydrophobicContact CD2-CG1 4.36Å; F188-I205 HydrophobicContact CE2-CD1 3.58Å; F188-I205 HydrophobicContact CE2-CG1 4.15Å; I205-D209 HydrophobicContact CG2-CB 3.77Å; I205-L212 HydrophobicContact CD1-CB 4.05Å; I205-L212 HydrophobicContact CD1-CD2 3.49Å; I205-L212 VanDerWaalsContact CD1-CD2 3.49Å; I205-L212 HydrophobicContact CD1-CG 3.57Å; I205-L212 HydrophobicContact CG1-CD2 3.94Å; I205-L212 HydrophobicContact CG2-CD2 4.25Å | ||
| 206 | R | 76.3 | Confident | 78.5 | Confident | 186 Ų | 186 | 84.4 Ų | 84.4 | 70% | 0.702 | 40% | 0.395 | S | S | * | . | trans | -71.9 | 150 | 177.3 | -163.8 | 171.8 | -178.1 | 168.3 | -0.1 | 111 | P208 D209 | R206-P208 VanDerWaalsContact O-CD 3.3Å; R206-P208 WeakPolarHBondContact O-CD 3.16Å; R206-D209 PolarHBondContact O-N 3.4Å | ||
| 207 | Q | 66.3 | Low | 78.9 | Confident | 172 Ų | 172 | 76.5 Ų | 76.5 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 2.5 | -162.7 | -81.3 | -166.8 | -12.7 | 0 | 0 | 120.7 | ||
| 208 | P | 63.4 | Low | 79.9 | Confident | 101 Ų | 101 | 73.6 Ų | 73.6 | 66% | 0.656 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -23.8 | 163.4 | 28.2 | -30.4 | 0 | 0 | 0 | 113.6 | R206 K210 | R206-P208 VanDerWaalsContact O-CD 3.3Å; R206-P208 WeakPolarHBondContact O-CD 3.16Å; P208-K210 VanDerWaalsContact C-N 3.27Å; P208-K210 PolarHBondContact O-N 2.91Å |
| 209 | D | 74.6 | Confident | 81 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | trans | -85.4 | 57.2 | -169.1 | -61.8 | -27.3 | 0 | 0 | 0 | 113.8 | I205 R206 V211 L212 H213 | I205-D209 HydrophobicContact CG2-CB 3.77Å; R206-D209 PolarHBondContact O-N 3.4Å; D209-V211 PolarHBondContact O-N 2.9Å; D209-V211 VanDerWaalsContact O-N 3.15Å; D209-L212 HydrophobicContact CB-CB 4.28Å; D209-L212 PolarHBondContact O-N 2.89Å; D209-L212 VanDerWaalsContact O-N 3.14Å; D209-H213 PolarHBondContact O-CD2 2.82Å; D209-H213 PolarHBondContact O-N 3.48Å | ||
| 210 | K | 78.5 | Confident | 82 | Confident | 146 Ų | 146 | 62 Ų | 62 | 64% | 0.635 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -52.3 | -36.5 | 176.5 | -67.9 | -175.9 | -178.2 | 177.3 | 0 | 112.7 | P208 H213 I214 | P208-K210 VanDerWaalsContact C-N 3.27Å; P208-K210 PolarHBondContact O-N 2.91Å; K210-H213 PolarHBondContact O-N 3.33Å; K210-I214 WeakPolarHBondContact O-CG1 3.45Å; K210-I214 PolarHBondContact O-N 3.44Å; K210-I214 VanDerWaalsContact O-N 3.13Å |
| 211 | V | 85.9 | Confident | 83.1 | Confident | 120 Ų | 120 | 60.2 Ų | 60.2 | 73% | 0.727 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | -179.8 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | D209 H213 I214 Y215 | D209-V211 PolarHBondContact O-N 2.9Å; D209-V211 VanDerWaalsContact O-N 3.15Å; V211-H213 VanDerWaalsContact C-N 3.34Å; V211-H213 PolarHBondContact O-N 2.93Å; V211-I214 PolarHBondContact O-N 3Å; V211-Y215 WeakPolarHBondContact O-CB 3.47Å; V211-Y215 PolarHBondContact O-N 3.34Å |
| 212 | L | 86.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.4 | -34.2 | -177.7 | -170.8 | 64.6 | 0 | 0 | 0 | 111.9 | L191 I205 D209 Y215 H216 | L191-L212 HydrophobicContact CB-CD2 3.65Å; L191-L212 HydrophobicContact CD1-CD2 3.53Å; L191-L212 HydrophobicContact CG-CD2 4.23Å; I205-L212 HydrophobicContact CD1-CB 4.05Å; I205-L212 HydrophobicContact CD1-CD2 3.49Å; I205-L212 VanDerWaalsContact CD1-CD2 3.49Å; I205-L212 HydrophobicContact CD1-CG 3.57Å; I205-L212 HydrophobicContact CG1-CD2 3.94Å; I205-L212 HydrophobicContact CG2-CD2 4.25Å; D209-L212 HydrophobicContact CB-CB 4.28Å; D209-L212 PolarHBondContact O-N 2.89Å; D209-L212 VanDerWaalsContact O-N 3.14Å; L212-Y215 HydrophobicContact CD1-CD1 4.2Å; L212-Y215 PolarHBondContact O-N 3.46Å; L212-H216 WeakPolarHBondContact O-CB 3.29Å; L212-H216 PolarHBondContact O-N 2.88Å |
| 213 | H | 83.4 | Confident | 84.4 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 171.8 | -68.6 | -62 | 0 | 0 | 0 | 111.9 | W204 D209 K210 V211 T217 | W204-H213 AromaticContact CD1-CE1 3.29Å; W204-H213 AromaticContact CD1-ND1 3.81Å; W204-H213 AromaticContact CE2-CE1 3.89Å; W204-H213 AromaticContact CE2-ND1 3.59Å; W204-H213 AromaticContact CZ2-ND1 3.89Å; W204-H213 AromaticContact NE1-CE1 2.97Å; W204-H213 PolarHBondContact NE1-CE1 3.46Å; W204-H213 AromaticContact NE1-ND1 3.01Å; W204-H213 PolarHBondContact NE1-ND1 3.31Å; D209-H213 PolarHBondContact O-CD2 2.82Å; D209-H213 PolarHBondContact O-N 3.48Å; K210-H213 PolarHBondContact O-N 3.33Å; V211-H213 VanDerWaalsContact C-N 3.34Å; V211-H213 PolarHBondContact O-N 2.93Å; H213-T217 PolarHBondContact O-N 2.86Å; H213-T217 VanDerWaalsContact O-N 3.17Å; H213-T217 PolarHBondContact O-OG1 3.35Å |
| 214 | I | 86.1 | Confident | 84.7 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 178.4 | -66 | 168.2 | 0 | 0 | 0 | 109.7 | K210 V211 H216 T217 L218 | K210-I214 WeakPolarHBondContact O-CG1 3.45Å; K210-I214 PolarHBondContact O-N 3.44Å; K210-I214 VanDerWaalsContact O-N 3.13Å; V211-I214 PolarHBondContact O-N 3Å; I214-H216 PolarHBondContact O-N 3.06Å; I214-T217 WeakPolarHBondContact O-CA 3.23Å; I214-T217 WeakPolarHBondContact O-CB 3.46Å; I214-T217 PolarHBondContact O-N 3.44Å; I214-L218 HydrophobicContact CG2-CD1 3.65Å; I214-L218 HydrophobicContact CG2-CG 4.15Å; I214-L218 WeakPolarHBondContact O-CG 3.49Å; I214-L218 PolarHBondContact O-N 2.89Å |
| 215 | Y | 90.3 | Very high | 85.2 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 26% | 0.255 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.2 | -54.1 | 177.8 | 176.1 | -93.4 | 0 | 0 | 0 | 112.5 | M184 M185 V211 L212 T217 L218 F219 | M184-Y215 WeakPolarHBondContact O-CE1 3.44Å; M184-Y215 PolarHBondContact O-OH 3.29Å; M185-Y215 HydrophobicContact CE-CE1 3.94Å; V211-Y215 WeakPolarHBondContact O-CB 3.47Å; V211-Y215 PolarHBondContact O-N 3.34Å; L212-Y215 HydrophobicContact CD1-CD1 4.2Å; L212-Y215 PolarHBondContact O-N 3.46Å; Y215-T217 PolarHBondContact O-N 3.24Å; Y215-L218 PolarHBondContact O-N 2.91Å; Y215-L218 VanDerWaalsContact O-N 3.09Å; Y215-F219 AromaticContact CD2-CD2 3.51Å; Y215-F219 HydrophobicContact CD2-CD2 3.51Å; Y215-F219 AromaticContact CD2-CE2 3.69Å; Y215-F219 HydrophobicContact CD2-CE2 3.69Å; Y215-F219 AromaticContact CE2-CD2 3.38Å; Y215-F219 HydrophobicContact CE2-CD2 3.38Å; Y215-F219 AromaticContact CE2-CE2 3.57Å; Y215-F219 HydrophobicContact CE2-CE2 3.57Å; Y215-F219 HydrophobicContact CE2-CG 4.21Å; Y215-F219 HydrophobicContact CG-CD2 4.18Å; Y215-F219 AromaticContact CZ-CD2 3.95Å; Y215-F219 WeakPolarHBondContact O-CD2 3.08Å; Y215-F219 PolarHBondContact O-N 2.78Å |
| 216 | H | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -31.1 | 178.6 | 170.4 | -104.6 | 0 | 0 | 0 | 112.2 | S135 F188 W204 L212 I214 S220 N221 R293 | S135-H216 PolarHBondContact OG-CD2 3Å; S135-H216 PolarHBondContact OG-NE2 3.3Å; F188-H216 AromaticContact CD1-CD2 3.63Å; F188-H216 HydrophobicContact CD2-CB 3.62Å; F188-H216 AromaticContact CD2-CD2 3.76Å; F188-H216 AromaticContact CD2-CG 3.6Å; F188-H216 AromaticContact CE1-CD2 3.58Å; F188-H216 AromaticContact CE1-NE2 3.52Å; F188-H216 HydrophobicContact CE2-CB 3.88Å; F188-H216 AromaticContact CE2-CD2 3.75Å; F188-H216 AromaticContact CE2-CG 3.49Å; F188-H216 VanDerWaalsContact CE2-CG 3.49Å; F188-H216 AromaticContact CE2-ND1 3.7Å; F188-H216 HydrophobicContact CG-CB 4.22Å; F188-H216 AromaticContact CG-CD2 3.72Å; F188-H216 AromaticContact CZ-CD2 3.66Å; F188-H216 AromaticContact CZ-CE1 3.63Å; F188-H216 AromaticContact CZ-CG 3.8Å; F188-H216 AromaticContact CZ-ND1 3.79Å; F188-H216 AromaticContact CZ-NE2 3.6Å; W204-H216 AromaticContact CH2-CE1 3.83Å; W204-H216 AromaticContact CH2-ND1 3.66Å; L212-H216 WeakPolarHBondContact O-CB 3.29Å; L212-H216 PolarHBondContact O-N 2.88Å; I214-H216 PolarHBondContact O-N 3.06Å; H216-S220 WeakPolarHBondContact O-CA 3.39Å; H216-S220 WeakPolarHBondContact O-CB 3.44Å; H216-S220 PolarHBondContact O-N 3.42Å; H216-S220 VanDerWaalsContact O-N 3.11Å; H216-N221 PolarHBondContact CE1-ND2 3.24Å; H216-N221 PolarHBondContact NE2-ND2 2.97Å; H216-R293 PolarHBondContact ND1-NH1 3.13Å |
| 217 | T | 88.7 | Confident | 86.6 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.9 | -36.4 | 175.7 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | H213 I214 Y215 P224 L289 L290 R293 | H213-T217 PolarHBondContact O-N 2.86Å; H213-T217 VanDerWaalsContact O-N 3.17Å; H213-T217 PolarHBondContact O-OG1 3.35Å; I214-T217 WeakPolarHBondContact O-CA 3.23Å; I214-T217 WeakPolarHBondContact O-CB 3.46Å; I214-T217 PolarHBondContact O-N 3.44Å; Y215-T217 PolarHBondContact O-N 3.24Å; T217-P224 WeakPolarHBondContact O-CD 3.47Å; T217-P224 VanDerWaalsContact O-CG 3.23Å; T217-P224 WeakPolarHBondContact O-CG 3.29Å; T217-L289 HydrophobicContact CG2-CD2 4.14Å; T217-L289 HydrophobicContact CG2-CG 4.12Å; T217-L290 HydrophobicContact CG2-CD2 3.6Å; T217-L290 HydrophobicContact CG2-CG 4.01Å; T217-R293 WeakPolarHBondContact OG1-CD 3.43Å; T217-R293 PolarHBondContact OG1-NH1 2.92Å |
| 218 | L | 91.9 | Very high | 88 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -80.7 | -30.8 | -175.9 | -71 | 175.4 | 0 | 0 | 0 | 114 | I214 Y215 G223 P224 I225 Q226 L290 | I214-L218 HydrophobicContact CG2-CD1 3.65Å; I214-L218 HydrophobicContact CG2-CG 4.15Å; I214-L218 WeakPolarHBondContact O-CG 3.49Å; I214-L218 PolarHBondContact O-N 2.89Å; Y215-L218 PolarHBondContact O-N 2.91Å; Y215-L218 VanDerWaalsContact O-N 3.09Å; L218-G223 CarbonylContact O-C 3.54Å; L218-P224 WeakPolarHBondContact O-CD 3.33Å; L218-I225 HydrophobicContact CB-CD1 3.76Å; L218-I225 HydrophobicContact CB-CG1 4.13Å; L218-I225 HydrophobicContact CD1-CD1 4.26Å; L218-I225 HydrophobicContact CD2-CG1 4.45Å; L218-I225 HydrophobicContact CG-CD1 4.42Å; L218-I225 PolarHBondContact O-N 3.47Å; L218-I225 VanDerWaalsContact O-N 3.15Å; L218-Q226 PolarHBondContact O-OE1 3.36Å; L218-L290 HydrophobicContact CD2-CD2 4.17Å |
| 219 | F | 93.1 | Very high | 89.6 | Confident | 52 Ų | 52 | 41.8 Ų | 41.8 | 23% | 0.228 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -110.6 | -14.6 | -173.6 | -71.5 | -76.1 | 0 | 0 | 0 | 115 | T139 M184 M185 Y215 I225 Q226 | T139-F219 PolarHBondContact OG1-O 2.93Å; M184-F219 HydrophobicContact CE-CB 3.94Å; M184-F219 HydrophobicContact CE-CD1 3.32Å; M184-F219 HydrophobicContact CE-CE1 4Å; M184-F219 HydrophobicContact CE-CG 3.84Å; M185-F219 HydrophobicContact CE-CB 3.85Å; Y215-F219 AromaticContact CD2-CD2 3.51Å; Y215-F219 HydrophobicContact CD2-CD2 3.51Å; Y215-F219 AromaticContact CD2-CE2 3.69Å; Y215-F219 HydrophobicContact CD2-CE2 3.69Å; Y215-F219 AromaticContact CE2-CD2 3.38Å; Y215-F219 HydrophobicContact CE2-CD2 3.38Å; Y215-F219 AromaticContact CE2-CE2 3.57Å; Y215-F219 HydrophobicContact CE2-CE2 3.57Å; Y215-F219 HydrophobicContact CE2-CG 4.21Å; Y215-F219 HydrophobicContact CG-CD2 4.18Å; Y215-F219 AromaticContact CZ-CD2 3.95Å; Y215-F219 WeakPolarHBondContact O-CD2 3.08Å; Y215-F219 PolarHBondContact O-N 2.78Å; F219-I225 HydrophobicContact CD1-CD1 4.35Å; F219-I225 HydrophobicContact CD2-CD1 4.36Å; F219-I225 HydrophobicContact CE1-CB 4.39Å; F219-I225 HydrophobicContact CE1-CD1 3.81Å; F219-I225 HydrophobicContact CE1-CG2 4.21Å; F219-I225 HydrophobicContact CE2-CD1 3.81Å; F219-I225 HydrophobicContact CZ-CD1 3.52Å; F219-Q226 PolarHBondContact O-NE2 3.23Å |
| 220 | S | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -121.1 | -178.5 | 177.4 | -161.1 | 0 | 0 | 0 | 0 | 111 | S135 S138 T139 H216 G223 | S135-S220 VanDerWaalsContact CA-OG 3.23Å; S135-S220 WeakPolarHBondContact CA-OG 3.18Å; S135-S220 WeakPolarHBondContact CB-OG 3.4Å; S135-S220 PolarHBondContact O-OG 2.96Å; S138-S220 PolarHBondContact OG-OG 2.96Å; T139-S220 WeakPolarHBondContact OG1-CA 3.49Å; T139-S220 PolarHBondContact OG1-OG 2.71Å; H216-S220 WeakPolarHBondContact O-CA 3.39Å; H216-S220 WeakPolarHBondContact O-CB 3.44Å; H216-S220 PolarHBondContact O-N 3.42Å; H216-S220 VanDerWaalsContact O-N 3.11Å; S220-G223 PolarHBondContact O-N 2.94Å; S220-G223 VanDerWaalsContact O-N 3.11Å |
| 221 | N | 88.1 | Confident | 91.4 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 68.6 | -177.1 | -47.6 | -90.7 | 0 | 0 | 0 | 111.4 | H134 H216 G223 Q285 L289 | H134-N221 PolarHBondContact CE1-OD1 3.3Å; H216-N221 PolarHBondContact CE1-ND2 3.24Å; H216-N221 PolarHBondContact NE2-ND2 2.97Å; N221-G223 PolarHBondContact O-N 3.23Å; N221-G223 VanDerWaalsContact O-N 3.13Å; N221-Q285 PolarHBondContact O-OE1 2.87Å; N221-L289 HydrophobicContact CB-CD2 3.45Å; N221-L289 VanDerWaalsContact CB-CD2 3.45Å |
| 222 | F | 90.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | -6.9 | -167.4 | -56.2 | -45.8 | 0 | 0 | 0 | 117.6 | T227 Y278 I281 Q285 W315 N318 | F222-T227 PolarHBondContact O-OG1 3Å; F222-Y278 VanDerWaalsContact CA-OH 3.24Å; F222-Y278 WeakPolarHBondContact CA-OH 3.46Å; F222-Y278 WeakPolarHBondContact CB-OH 3.39Å; F222-Y278 AromaticContact CD1-CE2 3.94Å; F222-Y278 HydrophobicContact CD1-CE2 3.94Å; F222-Y278 AromaticContact CD1-CZ 3.87Å; F222-Y278 WeakPolarHBondContact CD1-OH 3.1Å; F222-Y278 HydrophobicContact CE1-CE2 4.38Å; F222-Y278 PolarHBondContact O-OH 3.25Å; F222-Y278 VanDerWaalsContact O-OH 3.09Å; F222-I281 HydrophobicContact CE2-CG2 4.26Å; F222-I281 HydrophobicContact CZ-CG2 4.5Å; F222-Q285 HydrophobicContact CD2-CB 3.68Å; F222-Q285 HydrophobicContact CD2-CG 3.55Å; F222-Q285 HydrophobicContact CE2-CB 3.91Å; F222-Q285 HydrophobicContact CE2-CG 3.67Å; F222-W315 AromaticContact CD1-CH2 3.98Å; F222-W315 HydrophobicContact CD1-CH2 3.98Å; F222-W315 HydrophobicContact CD1-CZ2 4.33Å; F222-W315 HydrophobicContact CD1-CZ3 4.21Å; F222-W315 HydrophobicContact CE1-CD2 4.19Å; F222-W315 AromaticContact CE1-CE3 3.71Å; F222-W315 HydrophobicContact CE1-CE3 3.71Å; F222-W315 AromaticContact CE1-CH2 3.61Å; F222-W315 HydrophobicContact CE1-CH2 3.61Å; F222-W315 HydrophobicContact CE1-CZ2 4.12Å; F222-W315 AromaticContact CE1-CZ3 3.38Å; F222-W315 HydrophobicContact CE1-CZ3 3.38Å; F222-W315 HydrophobicContact CE2-CD2 4.09Å; F222-W315 HydrophobicContact CE2-CE3 4.34Å; F222-W315 HydrophobicContact CE2-CG 4.43Å; F222-W315 AromaticContact CZ-CD2 3.64Å; F222-W315 HydrophobicContact CZ-CD2 3.64Å; F222-W315 AromaticContact CZ-CE3 3.44Å; F222-W315 HydrophobicContact CZ-CE3 3.44Å; F222-W315 VanDerWaalsContact CZ-CE3 3.44Å; F222-W315 HydrophobicContact CZ-CG 4.29Å; F222-W315 HydrophobicContact CZ-CH2 4.07Å; F222-W315 HydrophobicContact CZ-CZ2 4.27Å; F222-W315 AromaticContact CZ-CZ3 3.66Å; F222-W315 HydrophobicContact CZ-CZ3 3.66Å; F222-N318 HydrophobicContact CE1-CB 4.15Å; F222-N318 HydrophobicContact CZ-CB 3.57Å |
| 223 | G | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | 59.9 | 78.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L218 S220 N221 I225 Q226 T227 | L218-G223 CarbonylContact O-C 3.54Å; S220-G223 PolarHBondContact O-N 2.94Å; S220-G223 VanDerWaalsContact O-N 3.11Å; N221-G223 PolarHBondContact O-N 3.23Å; N221-G223 VanDerWaalsContact O-N 3.13Å; G223-I225 VanDerWaalsContact C-N 3.27Å; G223-I225 PolarHBondContact O-N 3.21Å; G223-Q226 CarbonylContact O-C 3.56Å; G223-Q226 PolarHBondContact O-N 3.41Å; G223-Q226 PolarHBondContact O-OE1 2.77Å; G223-T227 WeakPolarHBondContact O-CB 3.36Å; G223-T227 PolarHBondContact O-N 2.82Å; G223-T227 PolarHBondContact O-OG1 3.27Å | ||
| 224 | P | 92.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -48.4 | -45.2 | 179.8 | -23.7 | 23 | 0 | 0 | 0 | 113.7 | T217 L218 Q226 T227 V228 A286 | T217-P224 WeakPolarHBondContact O-CD 3.47Å; T217-P224 VanDerWaalsContact O-CG 3.23Å; T217-P224 WeakPolarHBondContact O-CG 3.29Å; L218-P224 WeakPolarHBondContact O-CD 3.33Å; P224-Q226 PolarHBondContact O-N 3.32Å; P224-T227 PolarHBondContact O-N 3.38Å; P224-V228 VanDerWaalsContact O-CG2 3.32Å; P224-V228 WeakPolarHBondContact O-CG2 3.43Å; P224-V228 PolarHBondContact O-N 2.98Å; P224-A286 HydrophobicContact CB-CB 3.92Å; P224-A286 HydrophobicContact CG-CB 3.63Å |
| 225 | I | 94.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 33.7 Ų | 33.7 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.6 | -47.5 | 178.9 | -69 | 177.8 | 0 | 0 | 0 | 110.3 | L218 F219 G223 T227 V228 I229 | L218-I225 HydrophobicContact CB-CD1 3.76Å; L218-I225 HydrophobicContact CB-CG1 4.13Å; L218-I225 HydrophobicContact CD1-CD1 4.26Å; L218-I225 HydrophobicContact CD2-CG1 4.45Å; L218-I225 HydrophobicContact CG-CD1 4.42Å; L218-I225 PolarHBondContact O-N 3.47Å; L218-I225 VanDerWaalsContact O-N 3.15Å; F219-I225 HydrophobicContact CD1-CD1 4.35Å; F219-I225 HydrophobicContact CD2-CD1 4.36Å; F219-I225 HydrophobicContact CE1-CB 4.39Å; F219-I225 HydrophobicContact CE1-CD1 3.81Å; F219-I225 HydrophobicContact CE1-CG2 4.21Å; F219-I225 HydrophobicContact CE2-CD1 3.81Å; F219-I225 HydrophobicContact CZ-CD1 3.52Å; G223-I225 VanDerWaalsContact C-N 3.27Å; G223-I225 PolarHBondContact O-N 3.21Å; I225-T227 VanDerWaalsContact C-N 3.34Å; I225-T227 PolarHBondContact O-N 3.48Å; I225-V228 PolarHBondContact O-N 2.88Å; I225-I229 HydrophobicContact CG2-CD1 4.02Å; I225-I229 WeakPolarHBondContact O-CG1 3.27Å; I225-I229 PolarHBondContact O-N 2.92Å |
| 226 | Q | 95.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.4 | -32.9 | -178.7 | -57 | 104.4 | -54.2 | 0 | 0 | 112.3 | V142 N143 V146 L218 F219 G223 P224 I229 L230 | V142-Q226 HydrophobicContact CB-CB 4.2Å; V142-Q226 HydrophobicContact CG1-CB 3.69Å; V142-Q226 HydrophobicContact CG1-CG 4.12Å; V142-Q226 HydrophobicContact CG2-CB 3.5Å; N143-Q226 WeakPolarHBondContact OD1-CG 3.26Å; N143-Q226 PolarHBondContact OD1-NE2 3.37Å; V146-Q226 HydrophobicContact CG2-CB 4.23Å; V146-Q226 WeakPolarHBondContact CG2-O 3.46Å; L218-Q226 PolarHBondContact O-OE1 3.36Å; F219-Q226 PolarHBondContact O-NE2 3.23Å; G223-Q226 CarbonylContact O-C 3.56Å; G223-Q226 PolarHBondContact O-N 3.41Å; G223-Q226 PolarHBondContact O-OE1 2.77Å; P224-Q226 PolarHBondContact O-N 3.32Å; Q226-I229 PolarHBondContact O-N 3.35Å; Q226-L230 VanDerWaalsContact O-CB 3.29Å; Q226-L230 WeakPolarHBondContact O-CB 3.49Å; Q226-L230 PolarHBondContact O-N 3.49Å |
| 227 | T | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 171.9 | -70 | 0 | 0 | 0 | 0 | 110.9 | F222 G223 P224 I225 L230 L231 I279 S282 L283 | F222-T227 PolarHBondContact O-OG1 3Å; G223-T227 WeakPolarHBondContact O-CB 3.36Å; G223-T227 PolarHBondContact O-N 2.82Å; G223-T227 PolarHBondContact O-OG1 3.27Å; P224-T227 PolarHBondContact O-N 3.38Å; I225-T227 VanDerWaalsContact C-N 3.34Å; I225-T227 PolarHBondContact O-N 3.48Å; T227-L230 WeakPolarHBondContact O-CB 3.38Å; T227-L230 PolarHBondContact O-N 3.03Å; T227-L231 WeakPolarHBondContact O-CB 3.44Å; T227-L231 PolarHBondContact O-N 3.1Å; T227-I279 HydrophobicContact CG2-CG1 4.26Å; T227-S282 WeakPolarHBondContact CG2-OG 3.39Å; T227-S282 PolarHBondContact OG1-OG 3.46Å; T227-L283 HydrophobicContact CG2-CD2 3.59Å; T227-L283 HydrophobicContact CG2-CG 3.78Å |
| 228 | V | 95.3 | Very high | 93.4 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 37% | 0.37 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 175 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | P224 I225 L230 L231 F232 | P224-V228 VanDerWaalsContact O-CG2 3.32Å; P224-V228 WeakPolarHBondContact O-CG2 3.43Å; P224-V228 PolarHBondContact O-N 2.98Å; I225-V228 PolarHBondContact O-N 2.88Å; V228-L230 VanDerWaalsContact C-N 3.32Å; V228-L230 PolarHBondContact O-N 3.01Å; V228-L231 WeakPolarHBondContact O-CB 3.1Å; V228-L231 PolarHBondContact O-N 3.4Å; V228-F232 HydrophobicContact CG1-CD2 3.76Å; V228-F232 HydrophobicContact CG1-CE2 3.53Å; V228-F232 WeakPolarHBondContact O-CD2 3.36Å; V228-F232 PolarHBondContact O-N 3.43Å |
| 229 | I | 96.3 | Very high | 93.4 | Very high | 78 Ų | 78 | 40.1 Ų | 40.1 | 40% | 0.4 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 173.6 | -67.4 | 166.6 | 0 | 0 | 0 | 110.6 | V146 I225 Q226 L231 F232 L233 | V146-I229 HydrophobicContact CG1-CG2 3.92Å; V146-I229 HydrophobicContact CG2-CG2 4.28Å; I225-I229 HydrophobicContact CG2-CD1 4.02Å; I225-I229 WeakPolarHBondContact O-CG1 3.27Å; I225-I229 PolarHBondContact O-N 2.92Å; Q226-I229 PolarHBondContact O-N 3.35Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 3.47Å; I229-F232 PolarHBondContact O-N 2.91Å; I229-L233 HydrophobicContact CG2-CD1 3.9Å; I229-L233 HydrophobicContact CG2-CG 4.37Å; I229-L233 WeakPolarHBondContact O-CG 3.48Å; I229-L233 PolarHBondContact O-N 3.24Å |
| 230 | L | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 178 | -176.2 | 61 | 0 | 0 | 0 | 111.7 | L145 V146 A149 Q226 T227 V228 L233 N234 Y278 I279 | L145-L230 HydrophobicContact CB-CD1 4.3Å; L145-L230 HydrophobicContact CB-CD2 3.92Å; L145-L230 HydrophobicContact CD1-CD2 4.28Å; V146-L230 HydrophobicContact CG2-CB 4.07Å; A149-L230 HydrophobicContact CB-CD1 3.58Å; Q226-L230 VanDerWaalsContact O-CB 3.29Å; Q226-L230 WeakPolarHBondContact O-CB 3.49Å; Q226-L230 PolarHBondContact O-N 3.49Å; T227-L230 WeakPolarHBondContact O-CB 3.38Å; T227-L230 PolarHBondContact O-N 3.03Å; V228-L230 VanDerWaalsContact C-N 3.32Å; V228-L230 PolarHBondContact O-N 3.01Å; L230-L233 PolarHBondContact O-N 2.78Å; L230-N234 WeakPolarHBondContact O-CB 3.05Å; L230-N234 VanDerWaalsContact O-CG 3.29Å; L230-N234 PolarHBondContact O-N 3.46Å; L230-Y278 HydrophobicContact CD2-CD1 4.1Å; L230-I279 HydrophobicContact CD2-CD1 4.33Å; L230-I279 HydrophobicContact CD2-CG1 4.15Å; L230-I279 HydrophobicContact CG-CD1 4.07Å; L230-I279 HydrophobicContact CG-CG1 4.39Å |
| 231 | L | 95.6 | Very high | 92.8 | Very high | 59 Ų | 59 | 39.6 Ų | 39.6 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.4 | -49.4 | 174.1 | 176.9 | 64.4 | 0 | 0 | 0 | 111.2 | T227 V228 I229 L233 N234 L235 I279 | T227-L231 WeakPolarHBondContact O-CB 3.44Å; T227-L231 PolarHBondContact O-N 3.1Å; V228-L231 WeakPolarHBondContact O-CB 3.1Å; V228-L231 PolarHBondContact O-N 3.4Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 3.47Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 3.02Å; L231-N234 PolarHBondContact O-N 3.27Å; L231-L235 HydrophobicContact CD1-CD1 4.34Å; L231-L235 HydrophobicContact CD1-CG 4.36Å; L231-L235 HydrophobicContact CG-CD1 4.22Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.46Å; L231-I279 HydrophobicContact CB-CD1 4.12Å; L231-I279 HydrophobicContact CD1-CD1 4.33Å; L231-I279 HydrophobicContact CD1-CG2 4.45Å |
| 232 | F | 96.2 | Very high | 92.8 | Very high | 132 Ų | 132 | 48.6 Ų | 48.6 | 58% | 0.579 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.6 | -40 | 177.3 | -80.5 | -67 | 0 | 0 | 0 | 112.8 | V228 I229 L235 T236 | V228-F232 HydrophobicContact CG1-CD2 3.76Å; V228-F232 HydrophobicContact CG1-CE2 3.53Å; V228-F232 WeakPolarHBondContact O-CD2 3.36Å; V228-F232 PolarHBondContact O-N 3.43Å; I229-F232 PolarHBondContact O-N 2.91Å; F232-L235 PolarHBondContact O-N 3.48Å; F232-T236 VanDerWaalsContact O-CB 3.31Å; F232-T236 WeakPolarHBondContact O-CB 3.19Å; F232-T236 PolarHBondContact O-N 3.09Å; F232-T236 PolarHBondContact O-OG1 3.1Å |
| 233 | L | 95.2 | Very high | 92.5 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.9 | -71.1 | 170.7 | 0 | 0 | 0 | 111.5 | V146 A149 V150 C153 I229 L230 L231 T236 F237 | V146-L233 HydrophobicContact CG1-CD1 3.97Å; A149-L233 HydrophobicContact CB-CB 3.85Å; A149-L233 HydrophobicContact CB-CD1 3.86Å; A149-L233 HydrophobicContact CB-CG 4.5Å; V150-L233 HydrophobicContact CG2-CD1 3.65Å; V150-L233 HydrophobicContact CG2-CD2 4.12Å; C153-L233 PolarHBondContact SG-O 3.02Å; I229-L233 HydrophobicContact CG2-CD1 3.9Å; I229-L233 HydrophobicContact CG2-CG 4.37Å; I229-L233 WeakPolarHBondContact O-CG 3.48Å; I229-L233 PolarHBondContact O-N 3.24Å; L230-L233 PolarHBondContact O-N 2.78Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 3.02Å; L233-T236 PolarHBondContact O-N 3.49Å; L233-F237 VanDerWaalsContact O-CB 3.29Å; L233-F237 WeakPolarHBondContact O-CB 3.41Å; L233-F237 PolarHBondContact O-N 3.36Å |
| 234 | N | 94.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 176.5 | -79.3 | -11.1 | 0 | 0 | 0 | 112.5 | R152 L230 L231 F237 L238 L272 S275 I279 | R152-N234 PolarHBondContact NH2-OD1 3.24Å; L230-N234 WeakPolarHBondContact O-CB 3.05Å; L230-N234 VanDerWaalsContact O-CG 3.29Å; L230-N234 PolarHBondContact O-N 3.46Å; L231-N234 PolarHBondContact O-N 3.27Å; N234-F237 WeakPolarHBondContact O-CB 3.32Å; N234-F237 PolarHBondContact O-N 2.87Å; N234-L238 WeakPolarHBondContact O-CB 3.5Å; N234-L238 WeakPolarHBondContact O-CG 3.23Å; N234-L238 PolarHBondContact O-N 3.27Å; N234-L272 HydrophobicContact CB-CD1 3.56Å; N234-L272 VanDerWaalsContact CG-CD1 3.49Å; N234-S275 WeakPolarHBondContact ND2-CB 3.18Å; N234-S275 PolarHBondContact ND2-OG 3.45Å; N234-S275 PolarHBondContact OD1-OG 2.95Å; N234-I279 WeakPolarHBondContact ND2-CD1 3.48Å |
| 235 | L | 94.1 | Very high | 91.3 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 173.7 | -69.5 | 174.5 | 0 | 0 | 0 | 111.2 | L231 F232 F237 L238 L239 | L231-L235 HydrophobicContact CD1-CD1 4.34Å; L231-L235 HydrophobicContact CD1-CG 4.36Å; L231-L235 HydrophobicContact CG-CD1 4.22Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.46Å; F232-L235 PolarHBondContact O-N 3.48Å; L235-F237 VanDerWaalsContact C-N 3.31Å; L235-F237 PolarHBondContact O-N 2.76Å; L235-L238 WeakPolarHBondContact O-CB 3.18Å; L235-L238 PolarHBondContact O-N 2.84Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 3.33Å |
| 236 | T | 92.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 65.6 Ų | 65.6 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 175.6 | -60.8 | 0 | 0 | 0 | 0 | 111 | F232 L233 L239 C240 | F232-T236 VanDerWaalsContact O-CB 3.31Å; F232-T236 WeakPolarHBondContact O-CB 3.19Å; F232-T236 PolarHBondContact O-N 3.09Å; F232-T236 PolarHBondContact O-OG1 3.1Å; L233-T236 PolarHBondContact O-N 3.49Å; T236-L239 PolarHBondContact O-N 3.1Å; T236-C240 WeakPolarHBondContact O-CB 3.38Å; T236-C240 PolarHBondContact O-N 3.26Å; T236-C240 PolarHBondContact O-SG 3.17Å |
| 237 | F | 90.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.009 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 177 | 176.3 | -91.4 | 0 | 0 | 0 | 111.9 | R152 I156 L233 N234 L235 C240 T241 C268 L269 L272 | R152-F237 HydrophobicContact CB-CD2 4.08Å; R152-F237 HydrophobicContact CB-CE2 4.09Å; I156-F237 HydrophobicContact CD1-CD2 3.76Å; I156-F237 HydrophobicContact CD1-CE2 3.07Å; I156-F237 HydrophobicContact CD1-CZ 3.54Å; I156-F237 HydrophobicContact CG1-CD2 4.48Å; I156-F237 HydrophobicContact CG1-CE2 3.88Å; L233-F237 VanDerWaalsContact O-CB 3.29Å; L233-F237 WeakPolarHBondContact O-CB 3.41Å; L233-F237 PolarHBondContact O-N 3.36Å; N234-F237 WeakPolarHBondContact O-CB 3.32Å; N234-F237 PolarHBondContact O-N 2.87Å; L235-F237 VanDerWaalsContact C-N 3.31Å; L235-F237 PolarHBondContact O-N 2.76Å; F237-C240 PolarHBondContact O-N 2.99Å; F237-T241 WeakPolarHBondContact CE1-OG1 3.08Å; F237-T241 WeakPolarHBondContact CZ-OG1 3.43Å; F237-T241 WeakPolarHBondContact O-CB 3.41Å; F237-T241 PolarHBondContact O-N 3.43Å; F237-T241 PolarHBondContact O-OG1 3.42Å; F237-C268 HydrophobicContact CE1-CB 4.3Å; F237-C268 HydrophobicContact CE2-CB 3.58Å; F237-C268 HydrophobicContact CZ-CB 3.26Å; F237-L269 HydrophobicContact CE1-CD2 4.48Å; F237-L272 HydrophobicContact CD1-CD1 4.32Å; F237-L272 HydrophobicContact CD1-CD2 4.19Å; F237-L272 HydrophobicContact CE1-CB 4.49Å; F237-L272 HydrophobicContact CE1-CD2 4.34Å |
| 238 | L | 91.5 | Very high | 88.6 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 176.3 | -82.8 | 170.8 | 0 | 0 | 0 | 112.1 | N234 L235 T241 R242 L272 | N234-L238 WeakPolarHBondContact O-CB 3.5Å; N234-L238 WeakPolarHBondContact O-CG 3.23Å; N234-L238 PolarHBondContact O-N 3.27Å; L235-L238 WeakPolarHBondContact O-CB 3.18Å; L235-L238 PolarHBondContact O-N 2.84Å; L238-T241 WeakPolarHBondContact O-CB 3.24Å; L238-T241 PolarHBondContact O-N 3.46Å; L238-R242 WeakPolarHBondContact O-CB 3.48Å; L238-R242 PolarHBondContact O-N 2.78Å; L238-L272 HydrophobicContact CD1-CD2 4.18Å; L238-L272 HydrophobicContact CD2-CD2 3.39Å; L238-L272 HydrophobicContact CG-CD1 4.4Å; L238-L272 HydrophobicContact CG-CD2 3.64Å |
| 239 | L | 90.5 | Very high | 87.1 | Confident | 122 Ų | 122 | 75.1 Ų | 75.1 | 64% | 0.639 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 177.7 | -67.9 | 173.8 | 0 | 0 | 0 | 111.6 | L235 T236 R242 K243 | L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 3.33Å; T236-L239 PolarHBondContact O-N 3.1Å; L239-R242 PolarHBondContact O-N 3.11Å; L239-K243 WeakPolarHBondContact O-CB 3.34Å; L239-K243 PolarHBondContact O-N 3.11Å |
| 240 | C | 87.2 | Confident | 85.2 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 176.8 | -67.5 | 0 | 0 | 0 | 0 | 111.3 | I156 K157 T236 F237 K243 Y244 | I156-C240 HydrophobicContact CG2-CB 4.03Å; K157-C240 VanDerWaalsContact CE-SG 3.51Å; T236-C240 WeakPolarHBondContact O-CB 3.38Å; T236-C240 PolarHBondContact O-N 3.26Å; T236-C240 PolarHBondContact O-SG 3.17Å; F237-C240 PolarHBondContact O-N 2.99Å; C240-K243 PolarHBondContact O-N 3.31Å; C240-Y244 VanDerWaalsContact O-CB 3.3Å; C240-Y244 WeakPolarHBondContact O-CB 3.42Å; C240-Y244 PolarHBondContact O-N 3.36Å |
| 241 | T | 85.2 | Confident | 83.4 | Confident | 8 Ų | 8 | 80.8 Ų | 80.8 | 5% | 0.049 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 175.8 | -73.2 | 0 | 0 | 0 | 0 | 111.7 | I156 F237 L238 K243 Y244 L245 M265 | I156-T241 WeakPolarHBondContact CD1-OG1 3.44Å; F237-T241 WeakPolarHBondContact CE1-OG1 3.08Å; F237-T241 WeakPolarHBondContact CZ-OG1 3.43Å; F237-T241 WeakPolarHBondContact O-CB 3.41Å; F237-T241 PolarHBondContact O-N 3.43Å; F237-T241 PolarHBondContact O-OG1 3.42Å; L238-T241 WeakPolarHBondContact O-CB 3.24Å; L238-T241 PolarHBondContact O-N 3.46Å; T241-K243 VanDerWaalsContact C-N 3.34Å; T241-K243 PolarHBondContact O-N 3.49Å; T241-Y244 WeakPolarHBondContact O-CB 3.49Å; T241-Y244 PolarHBondContact O-N 3.15Å; T241-L245 HydrophobicContact CG2-CD1 3.91Å; T241-L245 HydrophobicContact CG2-CG 4.37Å; T241-L245 WeakPolarHBondContact O-CG 3Å; T241-L245 PolarHBondContact O-N 3.23Å; T241-M265 HydrophobicContact CG2-CE 3.13Å |
| 242 | R | 86.9 | Confident | 81.5 | Confident | 196 Ų | 196 | 84.5 Ų | 84.5 | 74% | 0.74 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | 178.8 | -178.2 | 177.2 | 175.2 | 152.1 | -0.8 | 111.1 | L238 L239 Y244 L245 R246 | L238-R242 WeakPolarHBondContact O-CB 3.48Å; L238-R242 PolarHBondContact O-N 2.78Å; L239-R242 PolarHBondContact O-N 3.11Å; R242-Y244 VanDerWaalsContact C-N 3.33Å; R242-Y244 PolarHBondContact O-N 2.9Å; R242-L245 PolarHBondContact O-N 3.01Å; R242-R246 WeakPolarHBondContact O-CB 3.5Å; R242-R246 PolarHBondContact O-N 3.37Å |
| 243 | K | 85.6 | Confident | 79.4 | Confident | 127 Ų | 127 | 83.5 Ų | 83.5 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.6 | -42.5 | 175.3 | -173.8 | 175.4 | 179.5 | 177.6 | 0 | 111.3 | L239 C240 T241 R246 N247 | L239-K243 WeakPolarHBondContact O-CB 3.34Å; L239-K243 PolarHBondContact O-N 3.11Å; C240-K243 PolarHBondContact O-N 3.31Å; T241-K243 VanDerWaalsContact C-N 3.34Å; T241-K243 PolarHBondContact O-N 3.49Å; K243-R246 PolarHBondContact O-N 3.06Å; K243-N247 VanDerWaalsContact O-CB 3.31Å; K243-N247 WeakPolarHBondContact O-CB 2.98Å; K243-N247 VanDerWaalsContact O-CG 3.24Å; K243-N247 PolarHBondContact O-N 3.3Å; K243-N247 PolarHBondContact O-OD1 2.89Å |
| 244 | Y | 78.2 | Confident | 77.2 | Confident | 54 Ų | 54 | 86.3 Ų | 86.3 | 21% | 0.212 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 177 | 177.1 | -101.4 | 0 | 0 | 0 | 112.3 | C240 T241 R242 R246 N247 R248 T259 M260 | C240-Y244 VanDerWaalsContact O-CB 3.3Å; C240-Y244 WeakPolarHBondContact O-CB 3.42Å; C240-Y244 PolarHBondContact O-N 3.36Å; T241-Y244 WeakPolarHBondContact O-CB 3.49Å; T241-Y244 PolarHBondContact O-N 3.15Å; R242-Y244 VanDerWaalsContact C-N 3.33Å; R242-Y244 PolarHBondContact O-N 2.9Å; Y244-R246 PolarHBondContact O-N 3.12Å; Y244-N247 PolarHBondContact O-N 2.86Å; Y244-R248 VanDerWaalsContact O-CB 3.23Å; Y244-R248 WeakPolarHBondContact O-CB 3.5Å; Y244-R248 PolarHBondContact O-N 2.75Å; Y244-T259 WeakPolarHBondContact OH-CA 3.17Å; Y244-T259 VanDerWaalsContact OH-CB 3.25Å; Y244-T259 WeakPolarHBondContact OH-CB 3.23Å; Y244-M260 PolarHBondContact OH-N 3.25Å; Y244-M260 VanDerWaalsContact OH-N 3.11Å |
| 245 | L | 80.8 | Confident | 74.8 | Confident | 89 Ų | 89 | 93.4 Ų | 93.4 | 47% | 0.466 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 178 | -70.9 | 173.2 | 0 | 0 | 0 | 111.8 | T241 R242 R248 F249 | T241-L245 HydrophobicContact CG2-CD1 3.91Å; T241-L245 HydrophobicContact CG2-CG 4.37Å; T241-L245 WeakPolarHBondContact O-CG 3Å; T241-L245 PolarHBondContact O-N 3.23Å; R242-L245 PolarHBondContact O-N 3.01Å; L245-R248 PolarHBondContact O-N 3.3Å; L245-F249 PolarHBondContact O-N 3.49Å |
| 246 | R | 82.1 | Confident | 72.8 | Confident | 162 Ų | 162 | 97.7 Ų | 97.7 | 61% | 0.611 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63 | -47.3 | 175.3 | -171.9 | 178.3 | 71.1 | 175.9 | 4.4 | 111.7 | R242 K243 Y244 R248 F249 L250 | R242-R246 WeakPolarHBondContact O-CB 3.5Å; R242-R246 PolarHBondContact O-N 3.37Å; K243-R246 PolarHBondContact O-N 3.06Å; Y244-R246 PolarHBondContact O-N 3.12Å; R246-R248 VanDerWaalsContact C-N 3.33Å; R246-R248 PolarHBondContact O-N 2.82Å; R246-F249 WeakPolarHBondContact O-CB 3.42Å; R246-F249 PolarHBondContact O-N 3.32Å; R246-L250 WeakPolarHBondContact O-CG 3.47Å; R246-L250 PolarHBondContact O-N 3.45Å |
| 247 | N | 76.4 | Confident | 71 | Confident | 57 Ų | 57 | 99.1 Ų | 99.1 | 31% | 0.305 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.3 | -32.3 | 179.3 | -72 | 7.9 | 0 | 0 | 0 | 112.1 | K243 Y244 L250 Q251 | K243-N247 VanDerWaalsContact O-CB 3.31Å; K243-N247 WeakPolarHBondContact O-CB 2.98Å; K243-N247 VanDerWaalsContact O-CG 3.24Å; K243-N247 PolarHBondContact O-N 3.3Å; K243-N247 PolarHBondContact O-OD1 2.89Å; Y244-N247 PolarHBondContact O-N 2.86Å; N247-L250 CarbonylContact O-C 3.44Å; N247-L250 WeakPolarHBondContact O-CB 3.29Å; N247-L250 PolarHBondContact O-N 3.45Å; N247-Q251 WeakPolarHBondContact O-CB 3.18Å; N247-Q251 WeakPolarHBondContact O-CG 3.48Å; N247-Q251 PolarHBondContact O-N 3.35Å |
| 248 | R | 70.1 | Confident | 69.2 | Low | 54 Ų | 54 | 110.1 Ų | 110.1 | 20% | 0.204 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 173.5 | -177.8 | -177.9 | 176.9 | 140 | 8.4 | 111.5 | Y244 L245 R246 L250 Q251 Q252 | Y244-R248 VanDerWaalsContact O-CB 3.23Å; Y244-R248 WeakPolarHBondContact O-CB 3.5Å; Y244-R248 PolarHBondContact O-N 2.75Å; L245-R248 PolarHBondContact O-N 3.3Å; R246-R248 VanDerWaalsContact C-N 3.33Å; R246-R248 PolarHBondContact O-N 2.82Å; R248-L250 PolarHBondContact O-N 3.32Å; R248-Q251 PolarHBondContact O-N 2.65Å; R248-Q252 HydrophobicContact CG-CG 4.47Å; R248-Q252 WeakPolarHBondContact O-CG 3.21Å; R248-Q252 PolarHBondContact O-N 3.42Å |
| 249 | F | 62.9 | Low | 67.6 | Low | 159 Ų | 159 | 109.2 Ų | 109.2 | 70% | 0.697 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.6 | -37.4 | 172.9 | -172.7 | -96.7 | 0 | 0 | 0 | 111 | L245 R246 | L245-F249 PolarHBondContact O-N 3.49Å; R246-F249 WeakPolarHBondContact O-CB 3.42Å; R246-F249 PolarHBondContact O-N 3.32Å |
| 250 | L | 57.8 | Low | 66.4 | Low | 111 Ų | 111 | 104.2 Ų | 104.2 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.6 | -36.9 | 174.2 | -64.4 | 167.8 | 0 | 0 | 0 | 113.4 | R246 N247 R248 | R246-L250 WeakPolarHBondContact O-CG 3.47Å; R246-L250 PolarHBondContact O-N 3.45Å; N247-L250 CarbonylContact O-C 3.44Å; N247-L250 WeakPolarHBondContact O-CB 3.29Å; N247-L250 PolarHBondContact O-N 3.45Å; R248-L250 PolarHBondContact O-N 3.32Å |
| 251 | Q | 58.1 | Low | 65.5 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -83.6 | -15.5 | -177.8 | -78.4 | 178.4 | -21.8 | 0 | 0 | 114.3 | N247 R248 C253 T254 | N247-Q251 WeakPolarHBondContact O-CB 3.18Å; N247-Q251 WeakPolarHBondContact O-CG 3.48Å; N247-Q251 PolarHBondContact O-N 3.35Å; R248-Q251 PolarHBondContact O-N 2.65Å; Q251-C253 PolarHBondContact O-N 2.87Å; Q251-C253 VanDerWaalsContact O-N 3.11Å; Q251-T254 CarbonylContact O-C 3.4Å; Q251-T254 VanDerWaalsContact O-C 3.26Å; Q251-T254 PolarHBondContact O-N 3.14Å |
| 252 | Q | 54.6 | Low | 64.9 | Low | 137 Ų | 137 | 114.9 Ų | 114.9 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -15.9 | 169.8 | -84.1 | -178.3 | -61.4 | 0 | 0 | 112.2 | R248 | R248-Q252 HydrophobicContact CG-CG 4.47Å; R248-Q252 WeakPolarHBondContact O-CG 3.21Å; R248-Q252 PolarHBondContact O-N 3.42Å |
| 253 | C | 52 | Low | 64.2 | Low | 111 Ų | 111 | 113.7 Ų | 113.7 | 75% | 0.75 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15.9 | 169.6 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | Q251 | Q251-C253 PolarHBondContact O-N 2.87Å; Q251-C253 VanDerWaalsContact O-N 3.11Å |
| 254 | T | 48.7 | Very low | 63.6 | Low | 93 Ų | 93 | 112.6 Ų | 112.6 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -151 | 95.1 | -169.9 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | Q251 | Q251-T254 CarbonylContact O-C 3.4Å; Q251-T254 VanDerWaalsContact O-C 3.26Å; Q251-T254 PolarHBondContact O-N 3.14Å |
| 255 | N | 44.6 | Very low | 63.6 | Low | 153 Ų | 153 | 111 Ų | 111 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | trans | 73.2 | 153.9 | 155.9 | -71.8 | -17.9 | 0 | 0 | 0 | 122.3 | T257 | N255-T257 VanDerWaalsContact C-N 3.34Å; N255-T257 PolarHBondContact O-N 3.24Å | ||
| 256 | N | 52.4 | Low | 63.6 | Low | 170 Ų | 170 | 113.5 Ų | 113.5 | 91% | 0.909 | 54% | 0.536 | S | S | * | . | trans | -76.1 | 50.2 | -157.7 | -146.2 | 9.3 | 0 | 0 | 0 | 115.4 | ||||
| 257 | T | 54.1 | Low | 63.5 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | trans | -65.4 | 138.3 | 173.2 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | N255 T259 | N255-T257 VanDerWaalsContact C-N 3.34Å; N255-T257 PolarHBondContact O-N 3.24Å; T257-T259 PolarHBondContact O-N 3.33Å | ||
| 258 | R | 54.2 | Low | 63.8 | Low | 233 Ų | 233 | 104 Ų | 104 | 88% | 0.879 | 50% | 0.498 | S | S | * | . | trans | -61 | 87.3 | 171.2 | -101.7 | -177.9 | 166.9 | 162.9 | -2.8 | 109 | ||||
| 259 | T | 58.2 | Low | 64.5 | Low | 61 Ų | 61 | 104.6 Ų | 104.6 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -68 | 145.3 | 176.4 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | Y244 T257 S261 | Y244-T259 WeakPolarHBondContact OH-CA 3.17Å; Y244-T259 VanDerWaalsContact OH-CB 3.25Å; Y244-T259 WeakPolarHBondContact OH-CB 3.23Å; T257-T259 PolarHBondContact O-N 3.33Å; T259-S261 PolarHBondContact O-N 2.98Å |
| 260 | M | 64.5 | Low | 65.5 | Low | 17 Ų | 17 | 98.2 Ų | 98.2 | 8% | 0.084 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 131.8 | 168.6 | -171.8 | 166.8 | 68.5 | 0 | 0 | 107.8 | I156 Y244 E264 M265 | I156-M260 HydrophobicContact CD1-CE 4Å; I156-M260 HydrophobicContact CG1-CE 3.98Å; I156-M260 HydrophobicContact CG1-SD 4.05Å; Y244-M260 PolarHBondContact OH-N 3.25Å; Y244-M260 VanDerWaalsContact OH-N 3.11Å; M260-E264 HydrophobicContact CG-CB 3.48Å; M260-E264 VanDerWaalsContact CG-CB 3.48Å; M260-E264 HydrophobicContact CG-CG 4.49Å; M260-E264 WeakPolarHBondContact CG-OE2 3.43Å; M260-E264 HydrophobicContact SD-CB 4.05Å; M260-M265 HydrophobicContact CE-CB 3.82Å; M260-M265 HydrophobicContact CE-CG 4.15Å; M260-M265 HydrophobicContact CE-SD 3.17Å; M260-M265 WeakPolarHBondContact CE-SD 3.32Å |
| 261 | S | 68.1 | Low | 66.8 | Low | 59 Ų | 59 | 93.4 Ų | 93.4 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 144.8 | -177.2 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | T259 R263 E264 M265 | T259-S261 PolarHBondContact O-N 2.98Å; S261-R263 PolarHBondContact O-N 3.1Å; S261-R263 PolarHBondContact OG-N 2.86Å; S261-E264 PolarHBondContact N-OE2 2.93Å; S261-E264 VanDerWaalsContact N-OE2 3.15Å; S261-E264 PolarHBondContact O-N 3.31Å; S261-M265 PolarHBondContact O-N 2.84Å |
| 262 | R | 72 | Confident | 68.2 | Low | 206 Ų | 206 | 90 Ų | 90 | 78% | 0.777 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -51.6 | -32.1 | 172.8 | -72.6 | -175.2 | 176.9 | 177.9 | -0.6 | 111.5 | R266 | R262-R266 PolarHBondContact O-N 3.43Å; R262-R266 VanDerWaalsContact O-N 3.1Å |
| 263 | R | 72.2 | Confident | 69.9 | Low | 171 Ų | 171 | 87.5 Ų | 87.5 | 65% | 0.645 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.5 | -48.3 | 175 | -175 | 178.1 | 177 | 178.2 | -0.2 | 112.2 | S261 R266 I267 | S261-R263 PolarHBondContact O-N 3.1Å; S261-R263 PolarHBondContact OG-N 2.86Å; R263-R266 PolarHBondContact O-N 3.22Å; R263-I267 HydrophobicContact CG-CD1 4.18Å; R263-I267 WeakPolarHBondContact O-CD1 3.37Å; R263-I267 VanDerWaalsContact O-CG1 3.22Å; R263-I267 WeakPolarHBondContact O-CG1 3.47Å; R263-I267 PolarHBondContact O-N 3.06Å; R263-I267 VanDerWaalsContact O-N 3.11Å |
| 264 | E | 74.6 | Confident | 71.7 | Confident | 104 Ų | 104 | 82.4 Ų | 82.4 | 49% | 0.486 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.3 | -70.7 | 173.7 | 157.5 | 0 | 0 | 111.9 | M260 S261 R266 I267 C268 | M260-E264 HydrophobicContact CG-CB 3.48Å; M260-E264 VanDerWaalsContact CG-CB 3.48Å; M260-E264 HydrophobicContact CG-CG 4.49Å; M260-E264 WeakPolarHBondContact CG-OE2 3.43Å; M260-E264 HydrophobicContact SD-CB 4.05Å; S261-E264 PolarHBondContact N-OE2 2.93Å; S261-E264 VanDerWaalsContact N-OE2 3.15Å; S261-E264 PolarHBondContact O-N 3.31Å; E264-R266 PolarHBondContact O-N 3.48Å; E264-I267 WeakPolarHBondContact O-CB 3.37Å; E264-I267 PolarHBondContact O-N 3.47Å; E264-C268 PolarHBondContact O-N 3.47Å; E264-C268 PolarHBondContact O-SG 3.48Å |
| 265 | M | 77.5 | Confident | 73.7 | Confident | 22 Ų | 22 | 78 Ų | 78 | 11% | 0.108 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 174.7 | -170.7 | 64.8 | -153.8 | 0 | 0 | 112.1 | T241 M260 S261 I267 C268 L269 | T241-M265 HydrophobicContact CG2-CE 3.13Å; M260-M265 HydrophobicContact CE-CB 3.82Å; M260-M265 HydrophobicContact CE-CG 4.15Å; M260-M265 HydrophobicContact CE-SD 3.17Å; M260-M265 WeakPolarHBondContact CE-SD 3.32Å; S261-M265 PolarHBondContact O-N 2.84Å; M265-I267 VanDerWaalsContact C-N 3.29Å; M265-I267 PolarHBondContact O-N 3.38Å; M265-C268 PolarHBondContact O-N 3.21Å; M265-L269 HydrophobicContact CE-CD1 4.01Å; M265-L269 HydrophobicContact CE-CD2 3.96Å; M265-L269 HydrophobicContact CE-CG 3.87Å; M265-L269 HydrophobicContact CG-CD1 4.41Å; M265-L269 WeakPolarHBondContact O-CG 3.36Å; M265-L269 PolarHBondContact O-N 2.98Å; M265-L269 VanDerWaalsContact O-N 3.08Å |
| 266 | R | 80.8 | Confident | 76 | Confident | 140 Ų | 140 | 73.3 Ų | 73.3 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 177.3 | -175.1 | 177.4 | 177.7 | -177.5 | -1.3 | 111.7 | R262 R263 E264 L269 L270 I331 | R262-R266 PolarHBondContact O-N 3.43Å; R262-R266 VanDerWaalsContact O-N 3.1Å; R263-R266 PolarHBondContact O-N 3.22Å; E264-R266 PolarHBondContact O-N 3.48Å; R266-L269 PolarHBondContact O-N 2.97Å; R266-L270 HydrophobicContact CG-CD1 4.19Å; R266-L270 WeakPolarHBondContact O-CG 3.5Å; R266-L270 PolarHBondContact O-N 3.47Å; R266-I331 VanDerWaalsContact NH2-CG2 3.26Å |
| 267 | I | 79.1 | Confident | 77.9 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 178 | -66.1 | 158.9 | 0 | 0 | 0 | 110.8 | H78 R263 E264 M265 L269 L270 N271 Y332 | H78-I267 HydrophobicContact CB-CG2 4.37Å; R263-I267 HydrophobicContact CG-CD1 4.18Å; R263-I267 WeakPolarHBondContact O-CD1 3.37Å; R263-I267 VanDerWaalsContact O-CG1 3.22Å; R263-I267 WeakPolarHBondContact O-CG1 3.47Å; R263-I267 PolarHBondContact O-N 3.06Å; R263-I267 VanDerWaalsContact O-N 3.11Å; E264-I267 WeakPolarHBondContact O-CB 3.37Å; E264-I267 PolarHBondContact O-N 3.47Å; M265-I267 VanDerWaalsContact C-N 3.29Å; M265-I267 PolarHBondContact O-N 3.38Å; I267-L269 VanDerWaalsContact C-N 3.27Å; I267-L269 PolarHBondContact O-N 3.13Å; I267-L270 PolarHBondContact O-N 3.19Å; I267-N271 PolarHBondContact O-N 3.28Å; I267-N271 PolarHBondContact O-OD1 3.05Å; I267-Y332 HydrophobicContact CD1-CE1 4.38Å; I267-Y332 HydrophobicContact CD1-CE2 3.57Å; I267-Y332 WeakPolarHBondContact CD1-OH 3.22Å; I267-Y332 HydrophobicContact CG1-CD2 3.96Å; I267-Y332 HydrophobicContact CG1-CE1 4.02Å; I267-Y332 HydrophobicContact CG1-CE2 3.19Å; I267-Y332 WeakPolarHBondContact CG1-OH 3.3Å |
| 268 | C | 82.9 | Confident | 79.8 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -34.8 | -177.7 | -63 | 0 | 0 | 0 | 0 | 112.2 | R152 F237 E264 M265 L272 | R152-C268 HydrophobicContact CG-CB 4.41Å; R152-C268 PolarHBondContact NH1-O 3.09Å; R152-C268 VanDerWaalsContact NH1-O 3.11Å; F237-C268 HydrophobicContact CE1-CB 4.3Å; F237-C268 HydrophobicContact CE2-CB 3.58Å; F237-C268 HydrophobicContact CZ-CB 3.26Å; E264-C268 PolarHBondContact O-N 3.47Å; E264-C268 PolarHBondContact O-SG 3.48Å; M265-C268 PolarHBondContact O-N 3.21Å; C268-L272 WeakPolarHBondContact O-CB 3.36Å; C268-L272 PolarHBondContact O-N 2.94Å |
| 269 | L | 84.6 | Confident | 81.7 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 36% | 0.356 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 172.8 | -69.9 | 173.1 | 0 | 0 | 0 | 112.8 | F237 M265 R266 I267 L272 I273 | F237-L269 HydrophobicContact CE1-CD2 4.48Å; M265-L269 HydrophobicContact CE-CD1 4.01Å; M265-L269 HydrophobicContact CE-CD2 3.96Å; M265-L269 HydrophobicContact CE-CG 3.87Å; M265-L269 HydrophobicContact CG-CD1 4.41Å; M265-L269 WeakPolarHBondContact O-CG 3.36Å; M265-L269 PolarHBondContact O-N 2.98Å; M265-L269 VanDerWaalsContact O-N 3.08Å; R266-L269 PolarHBondContact O-N 2.97Å; I267-L269 VanDerWaalsContact C-N 3.27Å; I267-L269 PolarHBondContact O-N 3.13Å; L269-L272 VanDerWaalsContact O-CB 3.29Å; L269-L272 WeakPolarHBondContact O-CB 3.33Å; L269-L272 PolarHBondContact O-N 2.01Å; L269-L272 VanDerWaalsContact O-N 3.15Å; L269-I273 WeakPolarHBondContact O-CG1 3.44Å; L269-I273 PolarHBondContact O-N 3.05Å |
| 270 | L | 84.8 | Confident | 83.4 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 176.2 | -72.4 | 172 | 0 | 0 | 0 | 111.6 | R266 I267 L272 I273 L274 I328 Y332 | R266-L270 HydrophobicContact CG-CD1 4.19Å; R266-L270 WeakPolarHBondContact O-CG 3.5Å; R266-L270 PolarHBondContact O-N 3.47Å; I267-L270 PolarHBondContact O-N 3.19Å; L270-L272 PolarHBondContact O-N 3.45Å; L270-I273 HydrophobicContact CD2-CD1 4.39Å; L270-I273 PolarHBondContact O-N 3.19Å; L270-L274 PolarHBondContact O-N 3.11Å; L270-I328 HydrophobicContact CB-CG2 3.93Å; L270-I328 HydrophobicContact CD1-CG2 4.49Å; L270-I328 HydrophobicContact CD2-CG2 4.14Å; L270-I328 HydrophobicContact CG-CG2 4.41Å; L270-Y332 HydrophobicContact CD1-CG 4.46Å |
| 271 | N | 84.4 | Confident | 84.8 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -29.6 | 172.9 | -72.5 | 10.1 | 0 | 0 | 0 | 111.6 | M82 R152 I267 S275 | M82-N271 HydrophobicContact CE-CB 4.44Å; M82-N271 WeakPolarHBondContact CE-OD1 3.35Å; R152-N271 PolarHBondContact NH1-O 3.44Å; I267-N271 PolarHBondContact O-N 3.28Å; I267-N271 PolarHBondContact O-OD1 3.05Å; N271-S275 WeakPolarHBondContact O-CB 3.43Å; N271-S275 PolarHBondContact O-N 3.39Å; N271-S275 PolarHBondContact O-OG 3.09Å |
| 272 | L | 88.9 | Confident | 86 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -49.7 | 175.7 | 176 | 71.5 | 0 | 0 | 0 | 109.3 | N234 F237 L238 C268 L269 L270 L274 S275 S276 | N234-L272 HydrophobicContact CB-CD1 3.56Å; N234-L272 VanDerWaalsContact CG-CD1 3.49Å; F237-L272 HydrophobicContact CD1-CD1 4.32Å; F237-L272 HydrophobicContact CD1-CD2 4.19Å; F237-L272 HydrophobicContact CE1-CB 4.49Å; F237-L272 HydrophobicContact CE1-CD2 4.34Å; L238-L272 HydrophobicContact CD1-CD2 4.18Å; L238-L272 HydrophobicContact CD2-CD2 3.39Å; L238-L272 HydrophobicContact CG-CD1 4.4Å; L238-L272 HydrophobicContact CG-CD2 3.64Å; C268-L272 WeakPolarHBondContact O-CB 3.36Å; C268-L272 PolarHBondContact O-N 2.94Å; L269-L272 VanDerWaalsContact O-CB 3.29Å; L269-L272 WeakPolarHBondContact O-CB 3.33Å; L269-L272 PolarHBondContact O-N 2.01Å; L269-L272 VanDerWaalsContact O-N 3.15Å; L270-L272 PolarHBondContact O-N 3.45Å; L272-L274 VanDerWaalsContact C-N 3.32Å; L272-L274 PolarHBondContact O-N 3.11Å; L272-S275 WeakPolarHBondContact CA-OG 3.46Å; L272-S275 PolarHBondContact O-N 3.18Å; L272-S275 PolarHBondContact O-OG 2.94Å; L272-S276 WeakPolarHBondContact O-CB 3.4Å; L272-S276 PolarHBondContact O-N 2.88Å; L272-S276 PolarHBondContact O-OG 3.36Å |
| 273 | I | 89.7 | Confident | 86.9 | Confident | 85 Ų | 85 | 43.5 Ų | 43.5 | 44% | 0.436 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54.6 | -49.6 | 175.8 | -66 | 165 | 0 | 0 | 0 | 110.3 | L269 L270 S275 S276 C277 I328 | L269-I273 WeakPolarHBondContact O-CG1 3.44Å; L269-I273 PolarHBondContact O-N 3.05Å; L270-I273 HydrophobicContact CD2-CD1 4.39Å; L270-I273 PolarHBondContact O-N 3.19Å; I273-S275 PolarHBondContact O-N 3.28Å; I273-S276 WeakPolarHBondContact O-CB 3.37Å; I273-S276 PolarHBondContact O-N 3.38Å; I273-S276 VanDerWaalsContact O-N 3.14Å; I273-C277 PolarHBondContact O-N 3.03Å; I273-C277 PolarHBondContact O-SG 3.42Å; I273-C277 VanDerWaalsContact O-SG 3.35Å; I273-I328 HydrophobicContact CB-CD1 4.46Å; I273-I328 HydrophobicContact CG2-CD1 3.93Å |
| 274 | L | 89 | Confident | 88 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.1 | -54.7 | 176.2 | 172.3 | 63.9 | 0 | 0 | 0 | 111.9 | M82 L145 L270 L272 S276 C277 Y278 D325 | M82-L274 HydrophobicContact CE-CD2 3.19Å; M82-L274 HydrophobicContact SD-CD2 3.74Å; L145-L274 HydrophobicContact CD2-CD2 4.49Å; L270-L274 PolarHBondContact O-N 3.11Å; L272-L274 VanDerWaalsContact C-N 3.32Å; L272-L274 PolarHBondContact O-N 3.11Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.22Å; L274-C277 PolarHBondContact O-N 3.15Å; L274-Y278 PolarHBondContact O-N 2.92Å; L274-D325 HydrophobicContact CD1-CB 3.87Å; L274-D325 WeakPolarHBondContact CD1-OD1 3.27Å; L274-D325 VanDerWaalsContact CD1-OD2 3.28Å; L274-D325 WeakPolarHBondContact CD1-OD2 3.37Å |
| 275 | S | 91.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -29.9 | -178.9 | 58 | 0 | 0 | 0 | 0 | 112.7 | N234 N271 L272 I273 Y278 I279 | N234-S275 WeakPolarHBondContact ND2-CB 3.18Å; N234-S275 PolarHBondContact ND2-OG 3.45Å; N234-S275 PolarHBondContact OD1-OG 2.95Å; N271-S275 WeakPolarHBondContact O-CB 3.43Å; N271-S275 PolarHBondContact O-N 3.39Å; N271-S275 PolarHBondContact O-OG 3.09Å; L272-S275 WeakPolarHBondContact CA-OG 3.46Å; L272-S275 PolarHBondContact O-N 3.18Å; L272-S275 PolarHBondContact O-OG 2.94Å; I273-S275 PolarHBondContact O-N 3.28Å; S275-Y278 WeakPolarHBondContact O-CB 3.4Å; S275-I279 WeakPolarHBondContact O-CD1 3.28Å; S275-I279 WeakPolarHBondContact O-CG1 3.41Å; S275-I279 PolarHBondContact O-N 3.12Å |
| 276 | S | 92.6 | Very high | 89.5 | Confident | 54 Ų | 54 | 32 Ų | 32 | 38% | 0.378 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.2 | -41 | 174.4 | -64.6 | 0 | 0 | 0 | 0 | 112 | L272 I273 L274 Y278 I279 A280 | L272-S276 WeakPolarHBondContact O-CB 3.4Å; L272-S276 PolarHBondContact O-N 2.88Å; L272-S276 PolarHBondContact O-OG 3.36Å; I273-S276 WeakPolarHBondContact O-CB 3.37Å; I273-S276 PolarHBondContact O-N 3.38Å; I273-S276 VanDerWaalsContact O-N 3.14Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.22Å; S276-Y278 VanDerWaalsContact C-N 3.3Å; S276-Y278 PolarHBondContact O-N 3.05Å; S276-I279 PolarHBondContact O-N 3.3Å; S276-A280 WeakPolarHBondContact O-CB 3.14Å; S276-A280 PolarHBondContact O-N 3.24Å |
| 277 | C | 92.8 | Very high | 90 | Very high | 39 Ų | 39 | 30 Ų | 30 | 26% | 0.264 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 172.7 | -69 | 0 | 0 | 0 | 0 | 111.3 | I273 L274 A280 R321 | I273-C277 PolarHBondContact O-N 3.03Å; I273-C277 PolarHBondContact O-SG 3.42Å; I273-C277 VanDerWaalsContact O-SG 3.35Å; L274-C277 PolarHBondContact O-N 3.15Å; C277-A280 PolarHBondContact O-N 3.17Å; C277-R321 HydrophobicContact CB-CG 3.95Å |
| 278 | Y | 92.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -51.5 | 171.6 | 179.6 | -86 | 0 | 0 | 0 | 111.6 | I141 V142 L145 F222 L230 L274 S275 S276 A280 I281 S282 R321 | I141-Y278 HydrophobicContact CG2-CD2 4.47Å; I141-Y278 HydrophobicContact CG2-CE2 3.84Å; V142-Y278 HydrophobicContact CB-CE1 4.44Å; V142-Y278 WeakPolarHBondContact CB-OH 3.48Å; V142-Y278 HydrophobicContact CG2-CE1 3.94Å; L145-Y278 HydrophobicContact CD1-CD1 3.89Å; L145-Y278 HydrophobicContact CD1-CD2 3.58Å; L145-Y278 HydrophobicContact CD1-CE1 4.19Å; L145-Y278 HydrophobicContact CD1-CE2 3.93Å; L145-Y278 HydrophobicContact CD1-CG 3.59Å; F222-Y278 VanDerWaalsContact CA-OH 3.24Å; F222-Y278 WeakPolarHBondContact CA-OH 3.46Å; F222-Y278 WeakPolarHBondContact CB-OH 3.39Å; F222-Y278 AromaticContact CD1-CE2 3.94Å; F222-Y278 HydrophobicContact CD1-CE2 3.94Å; F222-Y278 AromaticContact CD1-CZ 3.87Å; F222-Y278 WeakPolarHBondContact CD1-OH 3.1Å; F222-Y278 HydrophobicContact CE1-CE2 4.38Å; F222-Y278 PolarHBondContact O-OH 3.25Å; F222-Y278 VanDerWaalsContact O-OH 3.09Å; L230-Y278 HydrophobicContact CD2-CD1 4.1Å; L274-Y278 PolarHBondContact O-N 2.92Å; S275-Y278 WeakPolarHBondContact O-CB 3.4Å; S276-Y278 VanDerWaalsContact C-N 3.3Å; S276-Y278 PolarHBondContact O-N 3.05Å; Y278-A280 VanDerWaalsContact C-N 3.28Å; Y278-A280 PolarHBondContact O-N 3.14Å; Y278-I281 PolarHBondContact O-N 2.85Å; Y278-I281 VanDerWaalsContact O-N 3.1Å; Y278-S282 WeakPolarHBondContact O-CB 3.47Å; Y278-S282 PolarHBondContact O-N 3.26Å; Y278-S282 PolarHBondContact O-OG 3.46Å; Y278-R321 VanDerWaalsContact CD2-NH2 3.33Å |
| 279 | I | 94.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -40.6 | 179.9 | -71.9 | 163.6 | 0 | 0 | 0 | 111.8 | T227 L230 L231 N234 S275 S276 I281 S282 L283 | T227-I279 HydrophobicContact CG2-CG1 4.26Å; L230-I279 HydrophobicContact CD2-CD1 4.33Å; L230-I279 HydrophobicContact CD2-CG1 4.15Å; L230-I279 HydrophobicContact CG-CD1 4.07Å; L230-I279 HydrophobicContact CG-CG1 4.39Å; L231-I279 HydrophobicContact CB-CD1 4.12Å; L231-I279 HydrophobicContact CD1-CD1 4.33Å; L231-I279 HydrophobicContact CD1-CG2 4.45Å; N234-I279 WeakPolarHBondContact ND2-CD1 3.48Å; S275-I279 WeakPolarHBondContact O-CD1 3.28Å; S275-I279 WeakPolarHBondContact O-CG1 3.41Å; S275-I279 PolarHBondContact O-N 3.12Å; S276-I279 PolarHBondContact O-N 3.3Å; I279-I281 PolarHBondContact O-N 3.24Å; I279-S282 WeakPolarHBondContact CA-OG 3.48Å; I279-S282 PolarHBondContact O-N 3.21Å; I279-S282 PolarHBondContact O-OG 3.41Å; I279-L283 HydrophobicContact CG2-CD1 3.48Å; I279-L283 VanDerWaalsContact CG2-CD1 3.48Å; I279-L283 HydrophobicContact CG2-CG 3.9Å; I279-L283 WeakPolarHBondContact O-CB 3.31Å; I279-L283 PolarHBondContact O-N 3.31Å |
| 280 | A | 93.9 | Very high | 91.1 | Very high | 68 Ų | 68 | 29.2 Ų | 29.2 | 56% | 0.562 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -61.1 | -27.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | S276 C277 Y278 P284 | S276-A280 WeakPolarHBondContact O-CB 3.14Å; S276-A280 PolarHBondContact O-N 3.24Å; C277-A280 PolarHBondContact O-N 3.17Å; Y278-A280 VanDerWaalsContact C-N 3.28Å; Y278-A280 PolarHBondContact O-N 3.14Å; A280-P284 WeakPolarHBondContact O-CD 3.39Å; A280-P284 VanDerWaalsContact O-CG 3.31Å; A280-P284 WeakPolarHBondContact O-CG 3.06Å |
| 281 | I | 93.8 | Very high | 91.2 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -95.4 | -41.2 | 177.3 | -62.9 | 177.4 | 0 | 0 | 0 | 111 | F222 Y278 I279 P284 Q285 M314 N318 R321 | F222-I281 HydrophobicContact CE2-CG2 4.26Å; F222-I281 HydrophobicContact CZ-CG2 4.5Å; Y278-I281 PolarHBondContact O-N 2.85Å; Y278-I281 VanDerWaalsContact O-N 3.1Å; I279-I281 PolarHBondContact O-N 3.24Å; I281-P284 WeakPolarHBondContact O-CD 3.33Å; I281-Q285 WeakPolarHBondContact O-CB 3.28Å; I281-Q285 PolarHBondContact O-N 2.75Å; I281-M314 HydrophobicContact CG2-CB 4.13Å; I281-M314 VanDerWaalsContact CG2-O 3.28Å; I281-M314 WeakPolarHBondContact CG2-O 3.4Å; I281-N318 HydrophobicContact CG2-CB 4.11Å; I281-R321 HydrophobicContact CD1-CB 3.36Å; I281-R321 HydrophobicContact CD1-CG 3.75Å |
| 282 | S | 93.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.3 | -36.2 | -175.4 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | T227 Y278 I279 Q285 A286 | T227-S282 WeakPolarHBondContact CG2-OG 3.39Å; T227-S282 PolarHBondContact OG1-OG 3.46Å; Y278-S282 WeakPolarHBondContact O-CB 3.47Å; Y278-S282 PolarHBondContact O-N 3.26Å; Y278-S282 PolarHBondContact O-OG 3.46Å; I279-S282 WeakPolarHBondContact CA-OG 3.48Å; I279-S282 PolarHBondContact O-N 3.21Å; I279-S282 PolarHBondContact O-OG 3.41Å; S282-Q285 PolarHBondContact O-N 2.8Å; S282-A286 WeakPolarHBondContact O-CB 3.46Å; S282-A286 PolarHBondContact O-N 3.01Å |
| 283 | L | 92.1 | Very high | 91 | Very high | 53 Ų | 53 | 33 Ų | 33 | 28% | 0.277 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.7 | -51.9 | -180 | -76.2 | 178.1 | 0 | 0 | 0 | 112.8 | T227 I279 Q285 A286 I287 | T227-L283 HydrophobicContact CG2-CD2 3.59Å; T227-L283 HydrophobicContact CG2-CG 3.78Å; I279-L283 HydrophobicContact CG2-CD1 3.48Å; I279-L283 VanDerWaalsContact CG2-CD1 3.48Å; I279-L283 HydrophobicContact CG2-CG 3.9Å; I279-L283 WeakPolarHBondContact O-CB 3.31Å; I279-L283 PolarHBondContact O-N 3.31Å; L283-Q285 VanDerWaalsContact C-N 3.27Å; L283-Q285 PolarHBondContact O-N 2.87Å; L283-A286 WeakPolarHBondContact O-CB 3.16Å; L283-A286 PolarHBondContact O-N 3.16Å; L283-I287 VanDerWaalsContact O-CG1 3.3Å; L283-I287 WeakPolarHBondContact O-CG1 3.24Å; L283-I287 PolarHBondContact O-N 3.37Å |
| 284 | P | 94.2 | Very high | 90.5 | Very high | 51 Ų | 51 | 32.7 Ų | 32.7 | 33% | 0.331 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 174.6 | -25.8 | 34.6 | 0 | 0 | 0 | 112.3 | A280 I281 A286 I287 C288 M314 | A280-P284 WeakPolarHBondContact O-CD 3.39Å; A280-P284 VanDerWaalsContact O-CG 3.31Å; A280-P284 WeakPolarHBondContact O-CG 3.06Å; I281-P284 WeakPolarHBondContact O-CD 3.33Å; P284-A286 PolarHBondContact O-N 3.29Å; P284-I287 PolarHBondContact O-N 2.88Å; P284-C288 WeakPolarHBondContact O-CB 3.43Å; P284-C288 PolarHBondContact O-N 3.34Å; P284-C288 PolarHBondContact O-SG 3.01Å; P284-M314 HydrophobicContact CB-SD 4.22Å |
| 285 | Q | 93.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.5 | -172 | -85.2 | -9.3 | 0 | 0 | 111.9 | N221 F222 I281 S282 L283 I287 C288 L289 A311 M314 | N221-Q285 PolarHBondContact O-OE1 2.87Å; F222-Q285 HydrophobicContact CD2-CB 3.68Å; F222-Q285 HydrophobicContact CD2-CG 3.55Å; F222-Q285 HydrophobicContact CE2-CB 3.91Å; F222-Q285 HydrophobicContact CE2-CG 3.67Å; I281-Q285 WeakPolarHBondContact O-CB 3.28Å; I281-Q285 PolarHBondContact O-N 2.75Å; S282-Q285 PolarHBondContact O-N 2.8Å; L283-Q285 VanDerWaalsContact C-N 3.27Å; L283-Q285 PolarHBondContact O-N 2.87Å; Q285-I287 PolarHBondContact O-N 2.57Å; Q285-C288 PolarHBondContact O-N 3.46Å; Q285-L289 WeakPolarHBondContact O-CB 3.47Å; Q285-L289 PolarHBondContact O-N 3.41Å; Q285-A311 HydrophobicContact CG-CB 4.19Å; Q285-A311 WeakPolarHBondContact CG-O 3.22Å; Q285-M314 HydrophobicContact CB-CB 3.55Å; Q285-M314 HydrophobicContact CB-CG 3.9Å; Q285-M314 HydrophobicContact CG-CB 3.82Å |
| 286 | A | 90.6 | Very high | 88.9 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P224 S282 L283 P284 L289 L290 | P224-A286 HydrophobicContact CB-CB 3.92Å; P224-A286 HydrophobicContact CG-CB 3.63Å; S282-A286 WeakPolarHBondContact O-CB 3.46Å; S282-A286 PolarHBondContact O-N 3.01Å; L283-A286 WeakPolarHBondContact O-CB 3.16Å; L283-A286 PolarHBondContact O-N 3.16Å; P284-A286 PolarHBondContact O-N 3.29Å; A286-L289 PolarHBondContact O-N 2.88Å; A286-L290 WeakPolarHBondContact O-CB 3.34Å; A286-L290 VanDerWaalsContact O-CG 3.29Å; A286-L290 WeakPolarHBondContact O-CG 3.3Å; A286-L290 PolarHBondContact O-N 3.42Å |
| 287 | I | 90.9 | Very high | 88.1 | Confident | 98 Ų | 98 | 45.1 Ų | 45.1 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 178 | -66.6 | 165.3 | 0 | 0 | 0 | 110.1 | L283 P284 Q285 L289 L290 L291 | L283-I287 VanDerWaalsContact O-CG1 3.3Å; L283-I287 WeakPolarHBondContact O-CG1 3.24Å; L283-I287 PolarHBondContact O-N 3.37Å; P284-I287 PolarHBondContact O-N 2.88Å; Q285-I287 PolarHBondContact O-N 2.57Å; I287-L289 VanDerWaalsContact C-N 3.31Å; I287-L289 PolarHBondContact O-N 3.24Å; I287-L290 PolarHBondContact O-N 3.5Å; I287-L291 HydrophobicContact CG2-CD1 3.99Å; I287-L291 HydrophobicContact CG2-CG 4.47Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.17Å |
| 288 | C | 92.4 | Very high | 87.4 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 14% | 0.135 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 178.3 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | P284 Q285 L291 A292 A307 I310 A311 | P284-C288 WeakPolarHBondContact O-CB 3.43Å; P284-C288 PolarHBondContact O-N 3.34Å; P284-C288 PolarHBondContact O-SG 3.01Å; Q285-C288 PolarHBondContact O-N 3.46Å; C288-L291 PolarHBondContact O-N 2.89Å; C288-A292 VanDerWaalsContact O-CB 3.3Å; C288-A292 WeakPolarHBondContact O-CB 3.29Å; C288-A292 PolarHBondContact O-N 3.33Å; C288-A307 WeakPolarHBondContact CB-O 3.4Å; C288-A307 WeakPolarHBondContact O-CB 3.19Å; C288-I310 HydrophobicContact CB-CG2 4.41Å; C288-I310 WeakPolarHBondContact SG-CG2 3.42Å; C288-A311 HydrophobicContact CB-CB 4.02Å |
| 289 | L | 89 | Confident | 86.7 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.1 | -36.7 | -179.9 | -165.1 | 67.7 | 0 | 0 | 0 | 112.7 | T217 N221 Q285 A286 I287 A292 R293 Y308 A311 | T217-L289 HydrophobicContact CG2-CD2 4.14Å; T217-L289 HydrophobicContact CG2-CG 4.12Å; N221-L289 HydrophobicContact CB-CD2 3.45Å; N221-L289 VanDerWaalsContact CB-CD2 3.45Å; Q285-L289 WeakPolarHBondContact O-CB 3.47Å; Q285-L289 PolarHBondContact O-N 3.41Å; A286-L289 PolarHBondContact O-N 2.88Å; I287-L289 VanDerWaalsContact C-N 3.31Å; I287-L289 PolarHBondContact O-N 3.24Å; L289-A292 PolarHBondContact O-N 3.39Å; L289-R293 WeakPolarHBondContact O-CB 3.43Å; L289-R293 WeakPolarHBondContact O-CG 3Å; L289-R293 PolarHBondContact O-N 2.96Å; L289-Y308 HydrophobicContact CD1-CD1 4.08Å; L289-Y308 HydrophobicContact CD1-CE1 3.82Å; L289-A311 HydrophobicContact CB-CB 4.42Å; L289-A311 HydrophobicContact CD1-CB 4.38Å |
| 290 | L | 87.4 | Confident | 86.1 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 172.9 | -75.9 | 166.9 | 0 | 0 | 0 | 110.8 | T217 L218 A286 I287 A292 R293 I294 | T217-L290 HydrophobicContact CG2-CD2 3.6Å; T217-L290 HydrophobicContact CG2-CG 4.01Å; L218-L290 HydrophobicContact CD2-CD2 4.17Å; A286-L290 WeakPolarHBondContact O-CB 3.34Å; A286-L290 VanDerWaalsContact O-CG 3.29Å; A286-L290 WeakPolarHBondContact O-CG 3.3Å; A286-L290 PolarHBondContact O-N 3.42Å; I287-L290 PolarHBondContact O-N 3.5Å; L290-A292 VanDerWaalsContact C-N 3.26Å; L290-A292 PolarHBondContact O-N 3.28Å; L290-R293 PolarHBondContact O-N 3.22Å; L290-R293 VanDerWaalsContact O-N 3.15Å; L290-I294 HydrophobicContact CB-CD1 4.26Å; L290-I294 HydrophobicContact CD2-CD1 4.33Å; L290-I294 WeakPolarHBondContact O-CB 3.3Å; L290-I294 VanDerWaalsContact O-CG1 3.27Å; L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 3.48Å |
| 291 | L | 87.2 | Confident | 85.4 | Confident | 72 Ų | 72 | 52 Ų | 52 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -36.5 | 176 | -69.6 | 173.7 | 0 | 0 | 0 | 112.3 | I287 C288 R293 L296 | I287-L291 HydrophobicContact CG2-CD1 3.99Å; I287-L291 HydrophobicContact CG2-CG 4.47Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.17Å; C288-L291 PolarHBondContact O-N 2.89Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.47Å; L291-L296 HydrophobicContact CD2-CD1 4.04Å |
| 292 | A | 85.6 | Confident | 84.9 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.6 | -27.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C288 L289 L290 S304 A307 Y308 | C288-A292 VanDerWaalsContact O-CB 3.3Å; C288-A292 WeakPolarHBondContact O-CB 3.29Å; C288-A292 PolarHBondContact O-N 3.33Å; L289-A292 PolarHBondContact O-N 3.39Å; L290-A292 VanDerWaalsContact C-N 3.26Å; L290-A292 PolarHBondContact O-N 3.28Å; A292-S304 PolarHBondContact O-OG 3.49Å; A292-A307 HydrophobicContact CB-CB 3.79Å; A292-Y308 HydrophobicContact CB-CD1 4.04Å; A292-Y308 HydrophobicContact CB-CD2 3.81Å; A292-Y308 HydrophobicContact CB-CE1 3.96Å; A292-Y308 HydrophobicContact CB-CE2 3.72Å; A292-Y308 HydrophobicContact CB-CG 3.94Å |
| 293 | R | 82.8 | Confident | 84.6 | Confident | 49 Ų | 49 | 55 Ų | 55 | 19% | 0.185 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -105.2 | -25.8 | -172 | -72.1 | 179.8 | 179.8 | 168.3 | 9.2 | 114.2 | H216 T217 L289 L290 L291 Y308 | H216-R293 PolarHBondContact ND1-NH1 3.13Å; T217-R293 WeakPolarHBondContact OG1-CD 3.43Å; T217-R293 PolarHBondContact OG1-NH1 2.92Å; L289-R293 WeakPolarHBondContact O-CB 3.43Å; L289-R293 WeakPolarHBondContact O-CG 3Å; L289-R293 PolarHBondContact O-N 2.96Å; L290-R293 PolarHBondContact O-N 3.22Å; L290-R293 VanDerWaalsContact O-N 3.15Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.47Å; R293-Y308 HydrophobicContact CG-CE1 4.47Å; R293-Y308 VanDerWaalsContact CG-OH 3.23Å; R293-Y308 WeakPolarHBondContact CG-OH 3.47Å |
| 294 | I | 80.2 | Confident | 84.4 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 40% | 0.395 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -78.3 | 123.9 | 177 | -64.4 | 169.1 | 0 | 0 | 0 | 108.6 | L290 L296 | L290-I294 HydrophobicContact CB-CD1 4.26Å; L290-I294 HydrophobicContact CD2-CD1 4.33Å; L290-I294 WeakPolarHBondContact O-CB 3.3Å; L290-I294 VanDerWaalsContact O-CG1 3.27Å; L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 3.48Å; I294-L296 VanDerWaalsContact C-N 3.33Å; I294-L296 HydrophobicContact CG2-CD2 4.32Å; I294-L296 HydrophobicContact CG2-CG 4.12Å; I294-L296 PolarHBondContact O-N 3.23Å |
| 295 | P | 70.8 | Confident | 84 | Confident | 114 Ų | 114 | 50.9 Ų | 50.9 | 74% | 0.74 | 30% | 0.296 | S | S | * | . | trans | -72.1 | 89.7 | 174.9 | 29.8 | -32.8 | 0 | 0 | 0 | 109.6 | ||||
| 296 | L | 76.2 | Confident | 83.8 | Confident | 66 Ų | 66 | 51.9 Ų | 51.9 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | trans | -86.2 | 136.8 | 170.6 | -70.3 | 166.5 | 0 | 0 | 0 | 109.3 | L291 I294 S298 M299 | L291-L296 HydrophobicContact CD2-CD1 4.04Å; I294-L296 VanDerWaalsContact C-N 3.33Å; I294-L296 HydrophobicContact CG2-CD2 4.32Å; I294-L296 HydrophobicContact CG2-CG 4.12Å; I294-L296 PolarHBondContact O-N 3.23Å; L296-S298 PolarHBondContact O-N 2.85Å; L296-S298 VanDerWaalsContact O-N 3.11Å; L296-M299 HydrophobicContact CB-CB 4.08Å; L296-M299 HydrophobicContact CB-CG 3.62Å; L296-M299 HydrophobicContact CD1-CE 4.26Å; L296-M299 HydrophobicContact CD1-CG 3.96Å; L296-M299 HydrophobicContact CG-CG 4.38Å; L296-M299 PolarHBondContact O-N 2.87Å | ||
| 297 | P | 75.2 | Confident | 83.9 | Confident | 139 Ų | 139 | 52.2 Ų | 52.2 | 90% | 0.903 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -30.8 | -177.7 | -25.8 | 33.2 | 0 | 0 | 0 | 114.5 | ||
| 298 | S | 77.9 | Confident | 83.8 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.8 | 179.2 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | L296 T300 | L296-S298 PolarHBondContact O-N 2.85Å; L296-S298 VanDerWaalsContact O-N 3.11Å; S298-T300 PolarHBondContact O-N 3.35Å |
| 299 | M | 78.1 | Confident | 83.8 | Confident | 70 Ų | 70 | 48.6 Ų | 48.6 | 35% | 0.345 | 28% | 0.281 | S | S | . | . | trans | -91.1 | 109.6 | -173 | -71.4 | -68 | 172 | 0 | 0 | 111.2 | L296 H303 | L296-M299 HydrophobicContact CB-CB 4.08Å; L296-M299 HydrophobicContact CB-CG 3.62Å; L296-M299 HydrophobicContact CD1-CE 4.26Å; L296-M299 HydrophobicContact CD1-CG 3.96Å; L296-M299 HydrophobicContact CG-CG 4.38Å; L296-M299 PolarHBondContact O-N 2.87Å; M299-H303 HydrophobicContact CB-CB 4.49Å; M299-H303 HydrophobicContact SD-CB 3.42Å; M299-H303 WeakPolarHBondContact SD-CB 3.39Å | ||
| 300 | T | 83 | Confident | 84 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | trans | -77.4 | 167.7 | 170.1 | 74.6 | 0 | 0 | 0 | 0 | 111.5 | S298 I302 H303 S304 | S298-T300 PolarHBondContact O-N 3.35Å; T300-I302 PolarHBondContact O-N 3.46Å; T300-I302 VanDerWaalsContact O-N 3.14Å; T300-I302 PolarHBondContact OG1-N 3.02Å; T300-H303 PolarHBondContact N-ND1 3.01Å; T300-H303 PolarHBondContact O-N 3.48Å; T300-H303 PolarHBondContact OG1-ND1 2.91Å; T300-S304 PolarHBondContact O-N 3.36Å; T300-S304 VanDerWaalsContact O-N 3.1Å | ||
| 301 | A | 79.8 | Confident | 84.3 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54 | -32.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I7 I9 G305 | I7-A301 WeakPolarHBondContact O-CB 3.36Å; I9-A301 HydrophobicContact CD1-CB 4.27Å; I9-A301 HydrophobicContact CG1-CB 4Å; A301-G305 PolarHBondContact O-N 3.03Å |
| 302 | I | 82.7 | Confident | 84.5 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 178.1 | -55.9 | 165.8 | 0 | 0 | 0 | 110.6 | F20 L31 Y32 K35 T300 G305 I306 | F20-I302 HydrophobicContact CE1-CG1 4.13Å; L31-I302 HydrophobicContact CD1-CG2 4.02Å; L31-I302 HydrophobicContact CD2-CB 4.06Å; L31-I302 HydrophobicContact CD2-CD1 3.96Å; L31-I302 HydrophobicContact CD2-CG2 4.1Å; L31-I302 HydrophobicContact CG-CB 4.22Å; L31-I302 HydrophobicContact CG-CG2 3.7Å; Y32-I302 HydrophobicContact CD1-CD1 4.08Å; Y32-I302 HydrophobicContact CE1-CD1 3.42Å; Y32-I302 VanDerWaalsContact CE1-CD1 3.42Å; Y32-I302 HydrophobicContact CE1-CG1 4.49Å; K35-I302 HydrophobicContact CB-CG2 3.99Å; K35-I302 HydrophobicContact CG-CG2 4.19Å; T300-I302 PolarHBondContact O-N 3.46Å; T300-I302 VanDerWaalsContact O-N 3.14Å; T300-I302 PolarHBondContact OG1-N 3.02Å; I302-G305 CarbonylContact O-C 3.6Å; I302-G305 WeakPolarHBondContact O-CA 3.39Å; I302-G305 PolarHBondContact O-N 3.37Å; I302-G305 VanDerWaalsContact O-N 3.12Å; I302-I306 HydrophobicContact CG2-CD1 4.3Å; I302-I306 WeakPolarHBondContact O-CG1 3.45Å; I302-I306 PolarHBondContact O-N 3.34Å |
| 303 | H | 87.3 | Confident | 84.9 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 31% | 0.31 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 177.2 | -64.7 | 88.1 | 0 | 0 | 0 | 111.7 | M299 T300 G305 I306 A307 | M299-H303 HydrophobicContact CB-CB 4.49Å; M299-H303 HydrophobicContact SD-CB 3.42Å; M299-H303 WeakPolarHBondContact SD-CB 3.39Å; T300-H303 PolarHBondContact N-ND1 3.01Å; T300-H303 PolarHBondContact O-N 3.48Å; T300-H303 PolarHBondContact OG1-ND1 2.91Å; H303-G305 VanDerWaalsContact C-N 3.26Å; H303-G305 PolarHBondContact O-N 3.21Å; H303-I306 PolarHBondContact O-N 2.81Å; H303-A307 PolarHBondContact O-N 2.75Å |
| 304 | S | 86.4 | Confident | 85.5 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 173.1 | 175.2 | 0 | 0 | 0 | 0 | 111 | A292 T300 I306 A307 Y308 | A292-S304 PolarHBondContact O-OG 3.49Å; T300-S304 PolarHBondContact O-N 3.36Å; T300-S304 VanDerWaalsContact O-N 3.1Å; S304-I306 PolarHBondContact O-N 3.15Å; S304-A307 PolarHBondContact O-N 2.95Å; S304-Y308 WeakPolarHBondContact O-CD2 3.18Å; S304-Y308 PolarHBondContact O-N 2.97Å; S304-Y308 WeakPolarHBondContact OG-CE2 3.13Å |
| 305 | G | 85.9 | Confident | 86 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | K35 A301 I302 H303 D309 | K35-G305 PolarHBondContact NZ-O 2.8Å; A301-G305 PolarHBondContact O-N 3.03Å; I302-G305 CarbonylContact O-C 3.6Å; I302-G305 WeakPolarHBondContact O-CA 3.39Å; I302-G305 PolarHBondContact O-N 3.37Å; I302-G305 VanDerWaalsContact O-N 3.12Å; H303-G305 VanDerWaalsContact C-N 3.26Å; H303-G305 PolarHBondContact O-N 3.21Å; G305-D309 PolarHBondContact O-N 2.91Å; G305-D309 VanDerWaalsContact O-N 3.15Å |
| 306 | I | 90.4 | Very high | 86.9 | Confident | 21 Ų | 21 | 37.3 Ų | 37.3 | 11% | 0.108 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -47.3 | 174.9 | -69.1 | 167.4 | 0 | 0 | 0 | 109.5 | L31 T34 K35 T38 I302 H303 S304 Y308 D309 I310 | L31-I306 HydrophobicContact CD1-CD1 3.73Å; T34-I306 HydrophobicContact CG2-CD1 3.87Å; T34-I306 HydrophobicContact CG2-CG1 4.47Å; T34-I306 HydrophobicContact CG2-CG2 4.19Å; K35-I306 HydrophobicContact CB-CD1 4.25Å; K35-I306 HydrophobicContact CB-CG1 3.92Å; K35-I306 HydrophobicContact CD-CG1 3.83Å; K35-I306 HydrophobicContact CG-CG1 4.42Å; T38-I306 HydrophobicContact CG2-CG2 4.16Å; I302-I306 HydrophobicContact CG2-CD1 4.3Å; I302-I306 WeakPolarHBondContact O-CG1 3.45Å; I302-I306 PolarHBondContact O-N 3.34Å; H303-I306 PolarHBondContact O-N 2.81Å; S304-I306 PolarHBondContact O-N 3.15Å; I306-Y308 VanDerWaalsContact C-N 3.33Å; I306-Y308 PolarHBondContact O-N 3.01Å; I306-D309 PolarHBondContact O-N 2.66Å; I306-D309 VanDerWaalsContact O-N 3.13Å; I306-I310 HydrophobicContact CG2-CD1 3.88Å; I306-I310 HydrophobicContact CG2-CG1 4.5Å; I306-I310 WeakPolarHBondContact O-CG1 3.31Å; I306-I310 PolarHBondContact O-N 3.41Å |
| 307 | A | 91.7 | Very high | 87.7 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -38.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C288 A292 H303 S304 A311 | C288-A307 WeakPolarHBondContact CB-O 3.4Å; C288-A307 WeakPolarHBondContact O-CB 3.19Å; A292-A307 HydrophobicContact CB-CB 3.79Å; H303-A307 PolarHBondContact O-N 2.75Å; S304-A307 PolarHBondContact O-N 2.95Å; A307-A311 WeakPolarHBondContact O-CB 3.49Å; A307-A311 PolarHBondContact O-N 3.15Å |
| 308 | Y | 90.7 | Very high | 88.5 | Confident | 39 Ų | 39 | 30.1 Ų | 30.1 | 15% | 0.153 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 171 | -83.3 | -60.6 | 0 | 0 | 0 | 112.9 | I9 L289 A292 R293 S304 I306 I310 A311 H312 | I9-Y308 HydrophobicContact CG2-CD2 4.26Å; I9-Y308 HydrophobicContact CG2-CE2 4.34Å; L289-Y308 HydrophobicContact CD1-CD1 4.08Å; L289-Y308 HydrophobicContact CD1-CE1 3.82Å; A292-Y308 HydrophobicContact CB-CD1 4.04Å; A292-Y308 HydrophobicContact CB-CD2 3.81Å; A292-Y308 HydrophobicContact CB-CE1 3.96Å; A292-Y308 HydrophobicContact CB-CE2 3.72Å; A292-Y308 HydrophobicContact CB-CG 3.94Å; R293-Y308 HydrophobicContact CG-CE1 4.47Å; R293-Y308 VanDerWaalsContact CG-OH 3.23Å; R293-Y308 WeakPolarHBondContact CG-OH 3.47Å; S304-Y308 WeakPolarHBondContact O-CD2 3.18Å; S304-Y308 PolarHBondContact O-N 2.97Å; S304-Y308 WeakPolarHBondContact OG-CE2 3.13Å; I306-Y308 VanDerWaalsContact C-N 3.33Å; I306-Y308 PolarHBondContact O-N 3.01Å; Y308-I310 VanDerWaalsContact C-N 3.34Å; Y308-I310 PolarHBondContact O-N 3.31Å; Y308-A311 PolarHBondContact O-N 3.13Å; Y308-H312 PolarHBondContact O-N 3.23Å; Y308-H312 PolarHBondContact O-ND1 3.13Å |
| 309 | D | 91.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | -179.2 | -73.5 | -13.1 | 0 | 0 | 0 | 111.5 | K35 G39 L42 R105 G305 I306 H312 L313 | K35-D309 VanDerWaalsContact NZ-CG 3.29Å; K35-D309 IonicContact NZ-OD1 3.56Å; K35-D309 IonicContact NZ-OD2 2.61Å; K35-D309 PolarHBondContact NZ-OD2 3.14Å; G39-D309 WeakPolarHBondContact CA-OD2 3.45Å; L42-D309 HydrophobicContact CD2-CB 4.1Å; R105-D309 IonicContact CZ-OD1 2.7Å; R105-D309 IonicContact NH1-OD1 2.92Å; R105-D309 PolarHBondContact NH1-OD1 3.36Å; R105-D309 IonicContact NH2-OD1 3.79Å; G305-D309 PolarHBondContact O-N 2.91Å; G305-D309 VanDerWaalsContact O-N 3.15Å; I306-D309 PolarHBondContact O-N 2.66Å; I306-D309 VanDerWaalsContact O-N 3.13Å; D309-H312 PolarHBondContact O-N 3.34Å; D309-L313 WeakPolarHBondContact O-CB 3.48Å; D309-L313 PolarHBondContact O-N 2.98Å |
| 310 | I | 93.7 | Very high | 89.3 | Confident | 53 Ų | 53 | 24.5 Ų | 24.5 | 27% | 0.272 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 173.8 | -62.1 | 169 | 0 | 0 | 0 | 110.5 | T38 C288 I306 Y308 H312 L313 M314 | T38-I310 HydrophobicContact CG2-CD1 4.37Å; T38-I310 HydrophobicContact CG2-CG1 4.03Å; C288-I310 HydrophobicContact CB-CG2 4.41Å; C288-I310 WeakPolarHBondContact SG-CG2 3.42Å; I306-I310 HydrophobicContact CG2-CD1 3.88Å; I306-I310 HydrophobicContact CG2-CG1 4.5Å; I306-I310 WeakPolarHBondContact O-CG1 3.31Å; I306-I310 PolarHBondContact O-N 3.41Å; Y308-I310 VanDerWaalsContact C-N 3.34Å; Y308-I310 PolarHBondContact O-N 3.31Å; I310-H312 VanDerWaalsContact C-N 3.31Å; I310-H312 PolarHBondContact O-N 2.81Å; I310-L313 WeakPolarHBondContact O-CB 3.41Å; I310-L313 PolarHBondContact O-N 3.42Å; I310-L313 VanDerWaalsContact O-N 3.17Å; I310-M314 HydrophobicContact CG2-CE 4.33Å; I310-M314 WeakPolarHBondContact O-CG 3.4Å; I310-M314 PolarHBondContact O-N 3.41Å |
| 311 | A | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.1 | -37 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q285 C288 L289 A307 Y308 M314 W315 | Q285-A311 HydrophobicContact CG-CB 4.19Å; Q285-A311 WeakPolarHBondContact CG-O 3.22Å; C288-A311 HydrophobicContact CB-CB 4.02Å; L289-A311 HydrophobicContact CB-CB 4.42Å; L289-A311 HydrophobicContact CD1-CB 4.38Å; A307-A311 WeakPolarHBondContact O-CB 3.49Å; A307-A311 PolarHBondContact O-N 3.15Å; Y308-A311 PolarHBondContact O-N 3.13Å; A311-M314 PolarHBondContact O-N 2.87Å; A311-W315 PolarHBondContact O-N 3.36Å |
| 312 | H | 92.3 | Very high | 90 | Very high | 19 Ų | 19 | 20.2 Ų | 20.2 | 9% | 0.088 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -74 | -32.1 | 174.8 | -60.3 | 152.6 | 0 | 0 | 0 | 112.6 | L42 W100 L101 Y308 D309 I310 M314 W315 S316 | L42-H312 HydrophobicContact CD1-CB 3.83Å; L42-H312 HydrophobicContact CD2-CB 3.88Å; W100-H312 AromaticContact CH2-CD2 3.61Å; W100-H312 AromaticContact CH2-CE1 3.74Å; W100-H312 AromaticContact CH2-NE2 3.39Å; W100-H312 WeakPolarHBondContact CH2-NE2 3.15Å; L101-H312 HydrophobicContact CD2-CB 4.06Å; Y308-H312 PolarHBondContact O-N 3.23Å; Y308-H312 PolarHBondContact O-ND1 3.13Å; D309-H312 PolarHBondContact O-N 3.34Å; I310-H312 VanDerWaalsContact C-N 3.31Å; I310-H312 PolarHBondContact O-N 2.81Å; H312-M314 VanDerWaalsContact C-N 3.28Å; H312-M314 PolarHBondContact O-N 2.91Å; H312-W315 WeakPolarHBondContact O-CB 3.35Å; H312-W315 PolarHBondContact O-N 2.84Å; H312-S316 PolarHBondContact O-N 2.94Å; H312-S316 VanDerWaalsContact O-N 3.16Å; H312-S316 PolarHBondContact O-OG 3.4Å |
| 313 | L | 93.7 | Very high | 90.1 | Very high | 28 Ų | 28 | 21.1 Ų | 21.1 | 15% | 0.147 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 172.2 | -178 | 64.4 | 0 | 0 | 0 | 110.4 | T41 L42 F45 D309 I310 W315 S316 L317 | T41-L313 HydrophobicContact CG2-CD1 4.2Å; T41-L313 HydrophobicContact CG2-CD2 3.92Å; L42-L313 HydrophobicContact CD1-CB 4.35Å; F45-L313 HydrophobicContact CB-CD1 3.8Å; F45-L313 HydrophobicContact CD1-CD1 4.06Å; F45-L313 HydrophobicContact CD2-CD1 3.7Å; F45-L313 HydrophobicContact CE2-CD1 4.27Å; F45-L313 HydrophobicContact CG-CD1 3.57Å; D309-L313 WeakPolarHBondContact O-CB 3.48Å; D309-L313 PolarHBondContact O-N 2.98Å; I310-L313 WeakPolarHBondContact O-CB 3.41Å; I310-L313 PolarHBondContact O-N 3.42Å; I310-L313 VanDerWaalsContact O-N 3.17Å; L313-W315 VanDerWaalsContact C-N 3.27Å; L313-W315 PolarHBondContact O-N 2.87Å; L313-S316 WeakPolarHBondContact O-CA 3.49Å; L313-S316 WeakPolarHBondContact O-CB 3.47Å; L313-S316 PolarHBondContact O-N 3.04Å; L313-L317 HydrophobicContact CG-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CG 3.42Å; L313-L317 PolarHBondContact O-N 2.73Å |
| 314 | M | 94.5 | Very high | 89.9 | Confident | 30 Ų | 30 | 20.7 Ų | 20.7 | 15% | 0.148 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62 | -33.4 | 174.2 | -65.1 | -60.2 | 128.7 | 0 | 0 | 112.8 | I281 P284 Q285 I310 A311 H312 S316 L317 N318 | I281-M314 HydrophobicContact CG2-CB 4.13Å; I281-M314 VanDerWaalsContact CG2-O 3.28Å; I281-M314 WeakPolarHBondContact CG2-O 3.4Å; P284-M314 HydrophobicContact CB-SD 4.22Å; Q285-M314 HydrophobicContact CB-CB 3.55Å; Q285-M314 HydrophobicContact CB-CG 3.9Å; Q285-M314 HydrophobicContact CG-CB 3.82Å; I310-M314 HydrophobicContact CG2-CE 4.33Å; I310-M314 WeakPolarHBondContact O-CG 3.4Å; I310-M314 PolarHBondContact O-N 3.41Å; A311-M314 PolarHBondContact O-N 2.87Å; H312-M314 VanDerWaalsContact C-N 3.28Å; H312-M314 PolarHBondContact O-N 2.91Å; M314-S316 VanDerWaalsContact C-N 3.34Å; M314-L317 HydrophobicContact CE-CD1 3.73Å; M314-L317 PolarHBondContact O-N 3.43Å; M314-L317 HydrophobicContact SD-CD1 3.94Å; M314-N318 WeakPolarHBondContact O-CB 3.46Å; M314-N318 PolarHBondContact O-N 3.36Å |
| 315 | W | 91.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 169.5 | -88.3 | 113.1 | 0 | 0 | 0 | 112.5 | T92 V96 L101 H134 F222 A311 H312 L313 N318 S319 | T92-W315 HydrophobicContact CG2-CE3 4.48Å; T92-W315 HydrophobicContact CG2-CH2 3.54Å; T92-W315 HydrophobicContact CG2-CZ3 3.41Å; T92-W315 VanDerWaalsContact CG2-CZ3 3.41Å; V96-W315 HydrophobicContact CG1-CB 4.31Å; V96-W315 HydrophobicContact CG1-CD2 3.99Å; V96-W315 HydrophobicContact CG1-CE3 4.14Å; V96-W315 HydrophobicContact CG1-CG 4.1Å; V96-W315 HydrophobicContact CG2-CH2 4.49Å; V96-W315 HydrophobicContact CG2-CZ3 4.47Å; L101-W315 HydrophobicContact CD1-CB 4.02Å; H134-W315 AromaticContact NE2-CZ2 3.57Å; F222-W315 AromaticContact CD1-CH2 3.98Å; F222-W315 HydrophobicContact CD1-CH2 3.98Å; F222-W315 HydrophobicContact CD1-CZ2 4.33Å; F222-W315 HydrophobicContact CD1-CZ3 4.21Å; F222-W315 HydrophobicContact CE1-CD2 4.19Å; F222-W315 AromaticContact CE1-CE3 3.71Å; F222-W315 HydrophobicContact CE1-CE3 3.71Å; F222-W315 AromaticContact CE1-CH2 3.61Å; F222-W315 HydrophobicContact CE1-CH2 3.61Å; F222-W315 HydrophobicContact CE1-CZ2 4.12Å; F222-W315 AromaticContact CE1-CZ3 3.38Å; F222-W315 HydrophobicContact CE1-CZ3 3.38Å; F222-W315 HydrophobicContact CE2-CD2 4.09Å; F222-W315 HydrophobicContact CE2-CE3 4.34Å; F222-W315 HydrophobicContact CE2-CG 4.43Å; F222-W315 AromaticContact CZ-CD2 3.64Å; F222-W315 HydrophobicContact CZ-CD2 3.64Å; F222-W315 AromaticContact CZ-CE3 3.44Å; F222-W315 HydrophobicContact CZ-CE3 3.44Å; F222-W315 VanDerWaalsContact CZ-CE3 3.44Å; F222-W315 HydrophobicContact CZ-CG 4.29Å; F222-W315 HydrophobicContact CZ-CH2 4.07Å; F222-W315 HydrophobicContact CZ-CZ2 4.27Å; F222-W315 AromaticContact CZ-CZ3 3.66Å; F222-W315 HydrophobicContact CZ-CZ3 3.66Å; A311-W315 PolarHBondContact O-N 3.36Å; H312-W315 WeakPolarHBondContact O-CB 3.35Å; H312-W315 PolarHBondContact O-N 2.84Å; L313-W315 VanDerWaalsContact C-N 3.27Å; L313-W315 PolarHBondContact O-N 2.87Å; W315-N318 VanDerWaalsContact O-CB 3.27Å; W315-N318 WeakPolarHBondContact O-CB 3.35Å; W315-N318 PolarHBondContact O-N 3.11Å; W315-S319 PolarHBondContact O-N 3.18Å |
| 316 | S | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.5 | -40.6 | 176.7 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | H312 L313 M314 N318 S319 V320 | H312-S316 PolarHBondContact O-N 2.94Å; H312-S316 VanDerWaalsContact O-N 3.16Å; H312-S316 PolarHBondContact O-OG 3.4Å; L313-S316 WeakPolarHBondContact O-CA 3.49Å; L313-S316 WeakPolarHBondContact O-CB 3.47Å; L313-S316 PolarHBondContact O-N 3.04Å; M314-S316 VanDerWaalsContact C-N 3.34Å; S316-N318 PolarHBondContact O-N 2.92Å; S316-S319 PolarHBondContact O-N 2.88Å; S316-V320 PolarHBondContact O-N 2.9Å |
| 317 | L | 92.3 | Very high | 89 | Confident | 52 Ų | 52 | 25.9 Ų | 25.9 | 27% | 0.272 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66 | -29.4 | 174.9 | -69.1 | 175.2 | 0 | 0 | 0 | 112.2 | F45 L313 M314 S319 V320 R321 | F45-L317 HydrophobicContact CD1-CD2 4.48Å; F45-L317 HydrophobicContact CE1-CD2 3.73Å; F45-L317 HydrophobicContact CZ-CD2 4.26Å; L313-L317 HydrophobicContact CG-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CG 3.42Å; L313-L317 PolarHBondContact O-N 2.73Å; M314-L317 HydrophobicContact CE-CD1 3.73Å; M314-L317 PolarHBondContact O-N 3.43Å; M314-L317 HydrophobicContact SD-CD1 3.94Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-S319 PolarHBondContact O-N 3.17Å; L317-V320 WeakPolarHBondContact O-CB 3.37Å; L317-V320 PolarHBondContact O-N 3.37Å; L317-R321 PolarHBondContact O-N 2.99Å |
| 318 | N | 90.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 175.1 | -172.1 | 77.3 | 0 | 0 | 0 | 112.2 | F222 I281 M314 W315 S316 V320 R321 E322 | F222-N318 HydrophobicContact CE1-CB 4.15Å; F222-N318 HydrophobicContact CZ-CB 3.57Å; I281-N318 HydrophobicContact CG2-CB 4.11Å; M314-N318 WeakPolarHBondContact O-CB 3.46Å; M314-N318 PolarHBondContact O-N 3.36Å; W315-N318 VanDerWaalsContact O-CB 3.27Å; W315-N318 WeakPolarHBondContact O-CB 3.35Å; W315-N318 PolarHBondContact O-N 3.11Å; S316-N318 PolarHBondContact O-N 2.92Å; N318-V320 VanDerWaalsContact C-N 3.3Å; N318-V320 PolarHBondContact O-N 3.47Å; N318-R321 VanDerWaalsContact CG-NH2 3.31Å; N318-R321 PolarHBondContact ND2-NH2 3.31Å; N318-R321 WeakPolarHBondContact O-CA 3.17Å; N318-R321 WeakPolarHBondContact O-CB 3.39Å; N318-R321 PolarHBondContact O-N 3.24Å; N318-R321 VanDerWaalsContact O-N 3.12Å; N318-R321 PolarHBondContact OD1-NE 2.95Å; N318-R321 PolarHBondContact OD1-NH2 2.99Å; N318-E322 WeakPolarHBondContact O-CG 3.38Å; N318-E322 PolarHBondContact O-N 3.41Å; N318-E322 VanDerWaalsContact O-N 3.15Å |
| 319 | S | 86.5 | Confident | 87.8 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.6 | -32.7 | 175.7 | -48.6 | 0 | 0 | 0 | 0 | 112 | F50 D93 W315 S316 L317 R321 E322 | F50-S319 WeakPolarHBondContact CE2-OG 3.28Å; D93-S319 VanDerWaalsContact CG-OG 3.29Å; D93-S319 PolarHBondContact OD1-OG 3.48Å; D93-S319 WeakPolarHBondContact OD2-CB 3.23Å; D93-S319 PolarHBondContact OD2-OG 3.37Å; W315-S319 PolarHBondContact O-N 3.18Å; S316-S319 PolarHBondContact O-N 2.88Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-S319 PolarHBondContact O-N 3.17Å; S319-R321 VanDerWaalsContact C-N 3.35Å; S319-E322 PolarHBondContact O-N 3.13Å |
| 320 | V | 87.3 | Confident | 87.1 | Confident | 41 Ų | 41 | 25.2 Ų | 25.2 | 25% | 0.248 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 170.4 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | F53 S316 L317 N318 E322 I323 | F53-V320 HydrophobicContact CB-CG2 4.15Å; F53-V320 HydrophobicContact CD1-CB 4.16Å; F53-V320 HydrophobicContact CD1-CG1 3.9Å; F53-V320 HydrophobicContact CD1-CG2 3.96Å; F53-V320 HydrophobicContact CD2-CG2 4.07Å; F53-V320 HydrophobicContact CE1-CG1 3.83Å; F53-V320 HydrophobicContact CE1-CG2 4.45Å; F53-V320 HydrophobicContact CG-CB 4.47Å; F53-V320 HydrophobicContact CG-CG2 3.79Å; F53-V320 HydrophobicContact CZ-CG1 4.39Å; S316-V320 PolarHBondContact O-N 2.9Å; L317-V320 WeakPolarHBondContact O-CB 3.37Å; L317-V320 PolarHBondContact O-N 3.37Å; N318-V320 VanDerWaalsContact C-N 3.3Å; N318-V320 PolarHBondContact O-N 3.47Å; V320-E322 PolarHBondContact O-N 3.03Å; V320-I323 WeakPolarHBondContact O-CB 3.42Å; V320-I323 PolarHBondContact O-N 3.34Å; V320-I323 VanDerWaalsContact O-N 3.11Å |
| 321 | R | 90.6 | Very high | 86.2 | Confident | 13 Ų | 13 | 27.1 Ų | 27.1 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.7 | -31 | 176.6 | 177.9 | -85.2 | -60.8 | 171 | 6.3 | 112.5 | C277 Y278 I281 L317 N318 S319 I323 V324 D325 | C277-R321 HydrophobicContact CB-CG 3.95Å; Y278-R321 VanDerWaalsContact CD2-NH2 3.33Å; I281-R321 HydrophobicContact CD1-CB 3.36Å; I281-R321 HydrophobicContact CD1-CG 3.75Å; L317-R321 PolarHBondContact O-N 2.99Å; N318-R321 VanDerWaalsContact CG-NH2 3.31Å; N318-R321 PolarHBondContact ND2-NH2 3.31Å; N318-R321 WeakPolarHBondContact O-CA 3.17Å; N318-R321 WeakPolarHBondContact O-CB 3.39Å; N318-R321 PolarHBondContact O-N 3.24Å; N318-R321 VanDerWaalsContact O-N 3.12Å; N318-R321 PolarHBondContact OD1-NE 2.95Å; N318-R321 PolarHBondContact OD1-NH2 2.99Å; S319-R321 VanDerWaalsContact C-N 3.35Å; R321-I323 PolarHBondContact O-N 3.17Å; R321-I323 VanDerWaalsContact O-N 3.11Å; R321-V324 WeakPolarHBondContact O-CA 3.44Å; R321-V324 VanDerWaalsContact O-CB 3.23Å; R321-V324 WeakPolarHBondContact O-CB 3.32Å; R321-V324 PolarHBondContact O-N 3.29Å; R321-D325 WeakPolarHBondContact CD-OD1 3.41Å; R321-D325 IonicContact CZ-OD2 3.84Å; R321-D325 IonicContact NH1-OD1 3.88Å; R321-D325 IonicContact NH1-OD2 3.13Å; R321-D325 PolarHBondContact NH1-OD2 2.88Å; R321-D325 PolarHBondContact O-N 3.38Å |
| 322 | E | 87.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -21.9 | 176.1 | -58 | -155 | 165.6 | 0 | 0 | 113.3 | A57 N61 S89 N318 S319 V320 V324 D325 F326 | A57-E322 HydrophobicContact CB-CB 4.39Å; N61-E322 PolarHBondContact ND2-OE2 2.87Å; S89-E322 WeakPolarHBondContact CB-OE1 3.44Å; S89-E322 PolarHBondContact OG-OE1 2.89Å; N318-E322 WeakPolarHBondContact O-CG 3.38Å; N318-E322 PolarHBondContact O-N 3.41Å; N318-E322 VanDerWaalsContact O-N 3.15Å; S319-E322 PolarHBondContact O-N 3.13Å; V320-E322 PolarHBondContact O-N 3.03Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 2.9Å; E322-D325 VanDerWaalsContact O-CB 3.32Å; E322-D325 WeakPolarHBondContact O-CB 3.3Å; E322-D325 PolarHBondContact O-N 2.9Å; E322-F326 PolarHBondContact O-N 3.43Å |
| 323 | I | 83.7 | Confident | 84.1 | Confident | 38 Ų | 38 | 29 Ų | 29 | 20% | 0.195 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -35.9 | 170.8 | -62 | -158.4 | 0 | 0 | 0 | 111.8 | F53 I56 V320 R321 D325 F326 I327 | F53-I323 HydrophobicContact CD1-CD1 3.21Å; F53-I323 HydrophobicContact CD1-CG1 3.98Å; F53-I323 HydrophobicContact CE1-CD1 3.57Å; F53-I323 HydrophobicContact CG-CD1 4.31Å; I56-I323 HydrophobicContact CB-CD1 4.41Å; I56-I323 HydrophobicContact CD1-CD1 4.45Å; I56-I323 HydrophobicContact CG2-CD1 3.93Å; I56-I323 HydrophobicContact CG2-CG1 4.45Å; V320-I323 WeakPolarHBondContact O-CB 3.42Å; V320-I323 PolarHBondContact O-N 3.34Å; V320-I323 VanDerWaalsContact O-N 3.11Å; R321-I323 PolarHBondContact O-N 3.17Å; R321-I323 VanDerWaalsContact O-N 3.11Å; I323-D325 PolarHBondContact O-N 3.4Å; I323-F326 WeakPolarHBondContact O-CB 3.37Å; I323-F326 PolarHBondContact O-N 2.94Å; I323-I327 HydrophobicContact CG2-CD1 4.27Å; I323-I327 WeakPolarHBondContact O-CG1 3.49Å; I323-I327 PolarHBondContact O-N 3.16Å |
| 324 | V | 82.2 | Confident | 83 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 35% | 0.352 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | R321 E322 F326 I327 I328 | R321-V324 WeakPolarHBondContact O-CA 3.44Å; R321-V324 VanDerWaalsContact O-CB 3.23Å; R321-V324 WeakPolarHBondContact O-CB 3.32Å; R321-V324 PolarHBondContact O-N 3.29Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 2.9Å; V324-F326 PolarHBondContact O-N 3.15Å; V324-I327 PolarHBondContact O-N 3.42Å; V324-I328 HydrophobicContact CG1-CD1 3.95Å; V324-I328 HydrophobicContact CG1-CG1 4.5Å; V324-I328 WeakPolarHBondContact O-CG1 3.44Å; V324-I328 PolarHBondContact O-N 3.29Å |
| 325 | D | 81.7 | Confident | 81.6 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 176.8 | -49.6 | -2.4 | 0 | 0 | 0 | 109.8 | L274 R321 E322 I323 I327 I328 Y329 | L274-D325 HydrophobicContact CD1-CB 3.87Å; L274-D325 WeakPolarHBondContact CD1-OD1 3.27Å; L274-D325 VanDerWaalsContact CD1-OD2 3.28Å; L274-D325 WeakPolarHBondContact CD1-OD2 3.37Å; R321-D325 WeakPolarHBondContact CD-OD1 3.41Å; R321-D325 IonicContact CZ-OD2 3.84Å; R321-D325 IonicContact NH1-OD1 3.88Å; R321-D325 IonicContact NH1-OD2 3.13Å; R321-D325 PolarHBondContact NH1-OD2 2.88Å; R321-D325 PolarHBondContact O-N 3.38Å; E322-D325 VanDerWaalsContact O-CB 3.32Å; E322-D325 WeakPolarHBondContact O-CB 3.3Å; E322-D325 PolarHBondContact O-N 2.9Å; I323-D325 PolarHBondContact O-N 3.4Å; D325-I327 PolarHBondContact O-N 2.71Å; D325-I328 PolarHBondContact O-N 2.76Å; D325-Y329 VanDerWaalsContact C-CD2 3.43Å; D325-Y329 HydrophobicContact CB-CD2 4.21Å; D325-Y329 HydrophobicContact CB-CE2 3.7Å; D325-Y329 WeakPolarHBondContact O-CB 3.3Å; D325-Y329 WeakPolarHBondContact O-CD2 3.39Å; D325-Y329 PolarHBondContact O-N 3.11Å |
| 326 | F | 80.5 | Confident | 80.3 | Confident | 59 Ų | 59 | 35 Ų | 35 | 26% | 0.259 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -54.7 | -49.3 | 173.1 | 166.8 | -95.3 | 0 | 0 | 0 | 112.4 | T60 F64 E322 I323 V324 I328 Y329 A330 L340 | T60-F326 HydrophobicContact CG2-CD2 3.41Å; T60-F326 VanDerWaalsContact CG2-CD2 3.41Å; T60-F326 HydrophobicContact CG2-CE2 3.63Å; T60-F326 HydrophobicContact CG2-CG 4Å; T60-F326 HydrophobicContact CG2-CZ 4.35Å; F64-F326 HydrophobicContact CE2-CB 4.17Å; F64-F326 AromaticContact CE2-CD2 3.44Å; F64-F326 HydrophobicContact CE2-CD2 3.44Å; F64-F326 VanDerWaalsContact CE2-CD2 3.44Å; F64-F326 HydrophobicContact CE2-CE2 4.26Å; F64-F326 HydrophobicContact CE2-CG 4.24Å; F64-F326 AromaticContact CZ-CD2 3.67Å; F64-F326 HydrophobicContact CZ-CD2 3.67Å; F64-F326 HydrophobicContact CZ-CE2 4.26Å; F64-F326 HydrophobicContact CZ-CG 4.45Å; E322-F326 PolarHBondContact O-N 3.43Å; I323-F326 WeakPolarHBondContact O-CB 3.37Å; I323-F326 PolarHBondContact O-N 2.94Å; V324-F326 PolarHBondContact O-N 3.15Å; F326-I328 VanDerWaalsContact C-N 3.32Å; F326-I328 PolarHBondContact O-N 3.47Å; F326-Y329 PolarHBondContact O-N 2.97Å; F326-A330 VanDerWaalsContact O-CB 3.29Å; F326-A330 WeakPolarHBondContact O-CB 3.37Å; F326-A330 PolarHBondContact O-N 3.36Å; F326-L340 HydrophobicContact CE2-CD1 4.32Å; F326-L340 HydrophobicContact CZ-CD1 4.38Å |
| 327 | I | 82 | Confident | 79.2 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 44% | 0.436 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 179.7 | -66.8 | 168 | 0 | 0 | 0 | 110.2 | I323 V324 D325 Y329 A330 I331 | I323-I327 HydrophobicContact CG2-CD1 4.27Å; I323-I327 WeakPolarHBondContact O-CG1 3.49Å; I323-I327 PolarHBondContact O-N 3.16Å; V324-I327 PolarHBondContact O-N 3.42Å; D325-I327 PolarHBondContact O-N 2.71Å; I327-Y329 PolarHBondContact O-N 2.94Å; I327-A330 PolarHBondContact O-N 3.27Å; I327-I331 HydrophobicContact CG2-CD1 3.83Å; I327-I331 VanDerWaalsContact O-CG1 3.26Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 2.87Å |
| 328 | I | 80.3 | Confident | 78.2 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 178.3 | -72.4 | 170.6 | 0 | 0 | 0 | 110.9 | L270 I273 V324 D325 F326 I331 Y332 | L270-I328 HydrophobicContact CB-CG2 3.93Å; L270-I328 HydrophobicContact CD1-CG2 4.49Å; L270-I328 HydrophobicContact CD2-CG2 4.14Å; L270-I328 HydrophobicContact CG-CG2 4.41Å; I273-I328 HydrophobicContact CB-CD1 4.46Å; I273-I328 HydrophobicContact CG2-CD1 3.93Å; V324-I328 HydrophobicContact CG1-CD1 3.95Å; V324-I328 HydrophobicContact CG1-CG1 4.5Å; V324-I328 WeakPolarHBondContact O-CG1 3.44Å; V324-I328 PolarHBondContact O-N 3.29Å; D325-I328 PolarHBondContact O-N 2.76Å; F326-I328 VanDerWaalsContact C-N 3.32Å; F326-I328 PolarHBondContact O-N 3.47Å; I328-I331 PolarHBondContact O-N 3.36Å; I328-Y332 WeakPolarHBondContact O-CB 3.3Å; I328-Y332 PolarHBondContact O-N 3.49Å; I328-Y332 VanDerWaalsContact O-N 3.13Å |
| 329 | Y | 77 | Confident | 77.2 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.8 | -38.6 | -180 | -64.7 | -47 | 0 | 0 | 0 | 112.5 | F64 M82 L86 D325 F326 I327 Y332 F333 | F64-Y329 HydrophobicContact CE1-CD2 4.24Å; F64-Y329 HydrophobicContact CE1-CG 4.05Å; F64-Y329 HydrophobicContact CE2-CD2 4.07Å; F64-Y329 AromaticContact CZ-CD2 3.96Å; F64-Y329 HydrophobicContact CZ-CD2 3.96Å; F64-Y329 HydrophobicContact CZ-CG 4.07Å; M82-Y329 HydrophobicContact CB-CE1 3.94Å; M82-Y329 HydrophobicContact CE-CD1 4.48Å; M82-Y329 HydrophobicContact CE-CE1 3.38Å; M82-Y329 WeakPolarHBondContact CE-OH 3.4Å; M82-Y329 HydrophobicContact CG-CE1 3.82Å; M82-Y329 HydrophobicContact SD-CE1 3.93Å; M82-Y329 PolarHBondContact SD-OH 3.35Å; L86-Y329 HydrophobicContact CD1-CD2 4.42Å; L86-Y329 HydrophobicContact CD1-CE2 4.05Å; L86-Y329 HydrophobicContact CD2-CD2 4.29Å; L86-Y329 HydrophobicContact CD2-CE2 3.67Å; L86-Y329 HydrophobicContact CG-CE2 4.01Å; D325-Y329 VanDerWaalsContact C-CD2 3.43Å; D325-Y329 HydrophobicContact CB-CD2 4.21Å; D325-Y329 HydrophobicContact CB-CE2 3.7Å; D325-Y329 WeakPolarHBondContact O-CB 3.3Å; D325-Y329 WeakPolarHBondContact O-CD2 3.39Å; D325-Y329 PolarHBondContact O-N 3.11Å; F326-Y329 PolarHBondContact O-N 2.97Å; I327-Y329 PolarHBondContact O-N 2.94Å; Y329-Y332 PolarHBondContact O-N 3.34Å; Y329-F333 PolarHBondContact O-N 2.9Å |
| 330 | A | 77.4 | Confident | 76.4 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 17% | 0.174 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F326 I327 Y332 T337 | F326-A330 VanDerWaalsContact O-CB 3.29Å; F326-A330 WeakPolarHBondContact O-CB 3.37Å; F326-A330 PolarHBondContact O-N 3.36Å; I327-A330 PolarHBondContact O-N 3.27Å; A330-Y332 VanDerWaalsContact C-N 3.31Å; A330-T337 PolarHBondContact O-OG1 3.36Å |
| 331 | I | 75 | Confident | 75.8 | Confident | 93 Ų | 93 | 47.8 Ų | 47.8 | 48% | 0.477 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.4 | -35.5 | 174 | -70.9 | 167.6 | 0 | 0 | 0 | 111.2 | R266 I327 I328 | R266-I331 VanDerWaalsContact NH2-CG2 3.26Å; I327-I331 HydrophobicContact CG2-CD1 3.83Å; I327-I331 VanDerWaalsContact O-CG1 3.26Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 2.87Å; I328-I331 PolarHBondContact O-N 3.36Å |
| 332 | Y | 71 | Confident | 75 | Confident | 31 Ų | 31 | 52.5 Ų | 52.5 | 12% | 0.122 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -87.5 | -44 | -171.7 | 176.4 | -124.2 | 0 | 0 | 0 | 113.6 | H78 M79 I267 L270 I328 Y329 A330 K334 | H78-Y332 AromaticContact CD2-CE1 3.92Å; H78-Y332 PolarHBondContact CE1-OH 2.94Å; H78-Y332 VanDerWaalsContact CE1-OH 3.31Å; H78-Y332 AromaticContact NE2-CE1 3.4Å; H78-Y332 WeakPolarHBondContact NE2-CE1 3.38Å; H78-Y332 AromaticContact NE2-CZ 3.49Å; H78-Y332 PolarHBondContact NE2-OH 3.14Å; M79-Y332 HydrophobicContact CE-CD1 3.35Å; M79-Y332 HydrophobicContact CE-CE1 3.17Å; M79-Y332 HydrophobicContact SD-CD1 4.22Å; M79-Y332 HydrophobicContact SD-CE1 3.82Å; I267-Y332 HydrophobicContact CD1-CE1 4.38Å; I267-Y332 HydrophobicContact CD1-CE2 3.57Å; I267-Y332 WeakPolarHBondContact CD1-OH 3.22Å; I267-Y332 HydrophobicContact CG1-CD2 3.96Å; I267-Y332 HydrophobicContact CG1-CE1 4.02Å; I267-Y332 HydrophobicContact CG1-CE2 3.19Å; I267-Y332 WeakPolarHBondContact CG1-OH 3.3Å; L270-Y332 HydrophobicContact CD1-CG 4.46Å; I328-Y332 WeakPolarHBondContact O-CB 3.3Å; I328-Y332 PolarHBondContact O-N 3.49Å; I328-Y332 VanDerWaalsContact O-N 3.13Å; Y329-Y332 PolarHBondContact O-N 3.34Å; A330-Y332 VanDerWaalsContact C-N 3.31Å; Y332-K334 PolarHBondContact O-N 3.4Å |
| 333 | F | 70.3 | Confident | 74.3 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | trans | -92.8 | 83.5 | -173.8 | -160.2 | -103.8 | 0 | 0 | 0 | 111.1 | V67 F68 K71 M79 Y329 P335 L336 T337 | V67-F333 HydrophobicContact CG1-CD1 4.38Å; V67-F333 HydrophobicContact CG1-CE1 3.68Å; F68-F333 HydrophobicContact CE1-CE2 4.35Å; K71-F333 HydrophobicContact CD-CE1 4.32Å; K71-F333 HydrophobicContact CD-CZ 4.06Å; M79-F333 HydrophobicContact CE-CB 3.9Å; M79-F333 HydrophobicContact CE-CD2 3.27Å; M79-F333 HydrophobicContact CE-CE2 4.06Å; M79-F333 HydrophobicContact CE-CG 3.91Å; Y329-F333 PolarHBondContact O-N 2.9Å; F333-P335 HydrophobicContact CD1-CB 4.16Å; F333-P335 HydrophobicContact CD1-CG 4.22Å; F333-P335 HydrophobicContact CE1-CB 3.74Å; F333-P335 HydrophobicContact CE1-CG 3.91Å; F333-P335 HydrophobicContact CE2-CG 4.49Å; F333-P335 HydrophobicContact CZ-CB 4.31Å; F333-P335 HydrophobicContact CZ-CG 4.09Å; F333-P335 VanDerWaalsContact O-N 3.09Å; F333-L336 HydrophobicContact CB-CB 4.2Å; F333-L336 HydrophobicContact CD1-CB 3.47Å; F333-L336 VanDerWaalsContact CD1-CB 3.47Å; F333-L336 VanDerWaalsContact CD1-N 3.25Å; F333-L336 HydrophobicContact CE1-CB 4.32Å; F333-L336 HydrophobicContact CG-CB 4.31Å; F333-L336 WeakPolarHBondContact O-CA 3.46Å; F333-L336 WeakPolarHBondContact O-CB 3.47Å; F333-L336 PolarHBondContact O-N 3.48Å; F333-T337 PolarHBondContact O-N 2.97Å; F333-T337 PolarHBondContact O-OG1 2.87Å | ||
| 334 | K | 69.3 | Low | 73.9 | Confident | 151 Ų | 151 | 60.6 Ų | 60.6 | 66% | 0.657 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -42.8 | -43.7 | 175.1 | -74.8 | -170.6 | 175.2 | -168.9 | 0 | 114.2 | Y332 L336 T337 E338 | Y332-K334 PolarHBondContact O-N 3.4Å; K334-L336 PolarHBondContact O-N 3.46Å; K334-T337 CarbonylContact O-C 3.37Å; K334-T337 WeakPolarHBondContact O-CA 3.16Å; K334-T337 VanDerWaalsContact O-CB 3.31Å; K334-T337 WeakPolarHBondContact O-CB 3.34Å; K334-T337 PolarHBondContact O-N 3.24Å; K334-E338 WeakPolarHBondContact O-CG 3.05Å; K334-E338 PolarHBondContact O-N 3.41Å |
| 335 | P | 65.1 | Low | 73.7 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.3 | -20.3 | -179.4 | -15 | 27.7 | 0 | 0 | 0 | 115 | K71 F333 L339 | K71-P335 HydrophobicContact CD-CB 4.13Å; F333-P335 HydrophobicContact CD1-CB 4.16Å; F333-P335 HydrophobicContact CD1-CG 4.22Å; F333-P335 HydrophobicContact CE1-CB 3.74Å; F333-P335 HydrophobicContact CE1-CG 3.91Å; F333-P335 HydrophobicContact CE2-CG 4.49Å; F333-P335 HydrophobicContact CZ-CB 4.31Å; F333-P335 HydrophobicContact CZ-CG 4.09Å; F333-P335 VanDerWaalsContact O-N 3.09Å; P335-L339 WeakPolarHBondContact O-CB 3.23Å; P335-L339 PolarHBondContact O-N 3.31Å |
| 336 | L | 63.9 | Low | 73.6 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -79.1 | -41.7 | 168.1 | 171.1 | 80.6 | 0 | 0 | 0 | 109.4 | V63 F64 V67 F333 K334 E338 L339 L340 | V63-L336 HydrophobicContact CG1-CD1 4.07Å; F64-L336 HydrophobicContact CD1-CD1 4.43Å; F64-L336 HydrophobicContact CD1-CD2 3.53Å; F64-L336 HydrophobicContact CE1-CD2 2.92Å; F64-L336 HydrophobicContact CE1-CG 4.27Å; F64-L336 HydrophobicContact CZ-CD2 3.58Å; V67-L336 HydrophobicContact CB-CD1 4.41Å; V67-L336 HydrophobicContact CG2-CD1 3.71Å; F333-L336 HydrophobicContact CB-CB 4.2Å; F333-L336 HydrophobicContact CD1-CB 3.47Å; F333-L336 VanDerWaalsContact CD1-CB 3.47Å; F333-L336 VanDerWaalsContact CD1-N 3.25Å; F333-L336 HydrophobicContact CE1-CB 4.32Å; F333-L336 HydrophobicContact CG-CB 4.31Å; F333-L336 WeakPolarHBondContact O-CA 3.46Å; F333-L336 WeakPolarHBondContact O-CB 3.47Å; F333-L336 PolarHBondContact O-N 3.48Å; K334-L336 PolarHBondContact O-N 3.46Å; L336-E338 PolarHBondContact O-N 2.89Å; L336-L339 CarbonylContact O-C 3.14Å; L336-L339 PolarHBondContact O-N 2.61Å; L336-L339 VanDerWaalsContact O-N 3.11Å; L336-L340 HydrophobicContact CD1-CD1 4.08Å; L336-L340 HydrophobicContact CD1-CD2 4.38Å; L336-L340 HydrophobicContact CD1-CG 3.88Å; L336-L340 HydrophobicContact CD2-CD1 4.08Å; L336-L340 HydrophobicContact CG-CD1 3.67Å; L336-L340 HydrophobicContact CG-CG 3.88Å; L336-L340 VanDerWaalsContact O-CB 3.26Å; L336-L340 WeakPolarHBondContact O-CB 3.41Å; L336-L340 VanDerWaalsContact O-CG 3.27Å; L336-L340 WeakPolarHBondContact O-CG 3.4Å; L336-L340 PolarHBondContact O-N 2.92Å |
| 337 | T | 69.5 | Low | 73.5 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.5 | -42.5 | 172.2 | -35.9 | 0 | 0 | 0 | 0 | 110.2 | A330 F333 K334 L341 | A330-T337 PolarHBondContact O-OG1 3.36Å; F333-T337 PolarHBondContact O-N 2.97Å; F333-T337 PolarHBondContact O-OG1 2.87Å; K334-T337 CarbonylContact O-C 3.37Å; K334-T337 WeakPolarHBondContact O-CA 3.16Å; K334-T337 VanDerWaalsContact O-CB 3.31Å; K334-T337 WeakPolarHBondContact O-CB 3.34Å; K334-T337 PolarHBondContact O-N 3.24Å; T337-L341 WeakPolarHBondContact O-CB 3.43Å; T337-L341 PolarHBondContact O-N 3Å |
| 338 | E | 71.1 | Confident | 73.2 | Confident | 107 Ų | 107 | 68.6 Ų | 68.6 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.8 | -70.9 | 162.1 | -163.9 | 0 | 0 | 112.2 | K334 L336 L341 Q342 | K334-E338 WeakPolarHBondContact O-CG 3.05Å; K334-E338 PolarHBondContact O-N 3.41Å; L336-E338 PolarHBondContact O-N 2.89Å; E338-L341 PolarHBondContact O-N 3.47Å; E338-Q342 WeakPolarHBondContact O-CB 3.31Å; E338-Q342 VanDerWaalsContact O-CG 3.29Å; E338-Q342 WeakPolarHBondContact O-CG 3.17Å; E338-Q342 PolarHBondContact O-N 3.04Å |
| 339 | L | 68.7 | Low | 73.2 | Confident | 37 Ų | 37 | 73.8 Ų | 73.8 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 177.8 | -171.8 | 76.1 | 0 | 0 | 0 | 112.4 | V67 P335 L336 L341 Q342 C343 | V67-L339 HydrophobicContact CB-CD2 4.48Å; V67-L339 HydrophobicContact CG2-CD2 3.2Å; P335-L339 WeakPolarHBondContact O-CB 3.23Å; P335-L339 PolarHBondContact O-N 3.31Å; L336-L339 CarbonylContact O-C 3.14Å; L336-L339 PolarHBondContact O-N 2.61Å; L336-L339 VanDerWaalsContact O-N 3.11Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-Q342 PolarHBondContact O-N 2.87Å; L339-C343 WeakPolarHBondContact O-CB 3.17Å; L339-C343 PolarHBondContact O-N 3.13Å; L339-C343 PolarHBondContact O-SG 2.92Å |
| 340 | L | 70.2 | Confident | 73.4 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 29% | 0.293 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.4 | -72.8 | 175.1 | 0 | 0 | 0 | 110 | V63 F326 L336 C343 Y344 | V63-L340 HydrophobicContact CG1-CD2 4.27Å; F326-L340 HydrophobicContact CE2-CD1 4.32Å; F326-L340 HydrophobicContact CZ-CD1 4.38Å; L336-L340 HydrophobicContact CD1-CD1 4.08Å; L336-L340 HydrophobicContact CD1-CD2 4.38Å; L336-L340 HydrophobicContact CD1-CG 3.88Å; L336-L340 HydrophobicContact CD2-CD1 4.08Å; L336-L340 HydrophobicContact CG-CD1 3.67Å; L336-L340 HydrophobicContact CG-CG 3.88Å; L336-L340 VanDerWaalsContact O-CB 3.26Å; L336-L340 WeakPolarHBondContact O-CB 3.41Å; L336-L340 VanDerWaalsContact O-CG 3.27Å; L336-L340 WeakPolarHBondContact O-CG 3.4Å; L336-L340 PolarHBondContact O-N 2.92Å; L340-C343 PolarHBondContact O-N 3.4Å; L340-Y344 WeakPolarHBondContact O-CB 3.48Å; L340-Y344 PolarHBondContact O-N 3.29Å |
| 341 | L | 73.7 | Confident | 73.5 | Confident | 98 Ų | 98 | 84.3 Ų | 84.3 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 173.7 | -175.4 | 66.3 | 0 | 0 | 0 | 110.9 | T337 E338 L339 Y344 L345 | T337-L341 WeakPolarHBondContact O-CB 3.43Å; T337-L341 PolarHBondContact O-N 3Å; E338-L341 PolarHBondContact O-N 3.47Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L341-Y344 PolarHBondContact O-N 2.76Å; L341-L345 HydrophobicContact CD1-CD1 4.43Å; L341-L345 HydrophobicContact CD1-CG 4.4Å; L341-L345 HydrophobicContact CG-CD1 3.97Å; L341-L345 HydrophobicContact CG-CG 4.37Å; L341-L345 VanDerWaalsContact O-CB 3.28Å; L341-L345 WeakPolarHBondContact O-CB 3.45Å; L341-L345 WeakPolarHBondContact O-CG 3.49Å; L341-L345 PolarHBondContact O-N 3.45Å |
| 342 | Q | 74.9 | Confident | 73.9 | Confident | 112 Ų | 112 | 86.5 Ų | 86.5 | 52% | 0.523 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 174.7 | -77.9 | 177.1 | -9.2 | 0 | 0 | 112.1 | E338 L339 L345 N346 | E338-Q342 WeakPolarHBondContact O-CB 3.31Å; E338-Q342 VanDerWaalsContact O-CG 3.29Å; E338-Q342 WeakPolarHBondContact O-CG 3.17Å; E338-Q342 PolarHBondContact O-N 3.04Å; L339-Q342 PolarHBondContact O-N 2.87Å; Q342-L345 PolarHBondContact O-N 3.15Å; Q342-N346 VanDerWaalsContact O-CB 3.31Å; Q342-N346 WeakPolarHBondContact O-CB 3.42Å; Q342-N346 PolarHBondContact O-N 3.04Å; Q342-N346 PolarHBondContact O-ND2 3.19Å |
| 343 | C | 72.3 | Confident | 74.5 | Confident | 62 Ų | 62 | 91.4 Ų | 91.4 | 42% | 0.419 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 175 | -77.8 | 0 | 0 | 0 | 0 | 111.3 | L339 L340 N346 I347 | L339-C343 WeakPolarHBondContact O-CB 3.17Å; L339-C343 PolarHBondContact O-N 3.13Å; L339-C343 PolarHBondContact O-SG 2.92Å; L340-C343 PolarHBondContact O-N 3.4Å; C343-N346 PolarHBondContact O-N 2.87Å; C343-I347 WeakPolarHBondContact O-CB 3.46Å; C343-I347 VanDerWaalsContact O-CG1 3.25Å; C343-I347 WeakPolarHBondContact O-CG1 3.44Å; C343-I347 PolarHBondContact O-N 3.14Å |
| 344 | Y | 76.3 | Confident | 75.1 | Confident | 148 Ų | 148 | 99.1 Ų | 99.1 | 58% | 0.58 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.9 | -48.3 | 175.7 | 176.1 | -97.7 | 0 | 0 | 0 | 111.1 | L340 L341 N346 I347 T348 | L340-Y344 WeakPolarHBondContact O-CB 3.48Å; L340-Y344 PolarHBondContact O-N 3.29Å; L341-Y344 PolarHBondContact O-N 2.76Å; Y344-N346 VanDerWaalsContact C-N 3.33Å; Y344-N346 PolarHBondContact O-N 3.47Å; Y344-I347 PolarHBondContact O-N 3.03Å; Y344-T348 VanDerWaalsContact O-CB 3.31Å; Y344-T348 WeakPolarHBondContact O-CB 3.37Å; Y344-T348 PolarHBondContact O-N 2.74Å; Y344-T348 PolarHBondContact O-OG1 3.27Å |
| 345 | L | 78.4 | Confident | 75.6 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 176.1 | -72.7 | 170.1 | 0 | 0 | 0 | 111.4 | L341 Q342 F349 | L341-L345 HydrophobicContact CD1-CD1 4.43Å; L341-L345 HydrophobicContact CD1-CG 4.4Å; L341-L345 HydrophobicContact CG-CD1 3.97Å; L341-L345 HydrophobicContact CG-CG 4.37Å; L341-L345 VanDerWaalsContact O-CB 3.28Å; L341-L345 WeakPolarHBondContact O-CB 3.45Å; L341-L345 WeakPolarHBondContact O-CG 3.49Å; L341-L345 PolarHBondContact O-N 3.45Å; Q342-L345 PolarHBondContact O-N 3.15Å; L345-F349 WeakPolarHBondContact O-CB 3.42Å; L345-F349 PolarHBondContact O-N 2.92Å |
| 346 | N | 77.9 | Confident | 76.4 | Confident | 100 Ų | 100 | 100.1 Ų | 100.1 | 54% | 0.535 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 176.5 | -77.3 | -19 | 0 | 0 | 0 | 112.2 | Q342 C343 Y344 F349 L350 | Q342-N346 VanDerWaalsContact O-CB 3.31Å; Q342-N346 WeakPolarHBondContact O-CB 3.42Å; Q342-N346 PolarHBondContact O-N 3.04Å; Q342-N346 PolarHBondContact O-ND2 3.19Å; C343-N346 PolarHBondContact O-N 2.87Å; Y344-N346 VanDerWaalsContact C-N 3.33Å; Y344-N346 PolarHBondContact O-N 3.47Å; N346-F349 PolarHBondContact O-N 3.12Å; N346-L350 WeakPolarHBondContact O-CB 3.06Å; N346-L350 VanDerWaalsContact O-CG 3.22Å; N346-L350 WeakPolarHBondContact O-CG 3.08Å; N346-L350 PolarHBondContact O-N 2.77Å |
| 347 | I | 78.4 | Confident | 77.2 | Confident | 116 Ų | 116 | 107 Ų | 107 | 60% | 0.595 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.3 | -47.9 | 177.8 | -68.7 | 165.2 | 0 | 0 | 0 | 110.2 | C343 Y344 F349 L350 F351 | C343-I347 WeakPolarHBondContact O-CB 3.46Å; C343-I347 VanDerWaalsContact O-CG1 3.25Å; C343-I347 WeakPolarHBondContact O-CG1 3.44Å; C343-I347 PolarHBondContact O-N 3.14Å; Y344-I347 PolarHBondContact O-N 3.03Å; I347-F349 VanDerWaalsContact C-N 3.29Å; I347-F349 PolarHBondContact O-N 3.39Å; I347-L350 PolarHBondContact O-N 2.89Å; I347-F351 WeakPolarHBondContact O-CB 3.4Å; I347-F351 PolarHBondContact O-N 3.29Å |
| 348 | T | 76.9 | Confident | 77.6 | Confident | 62 Ų | 62 | 109.7 Ų | 109.7 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 177 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | Y344 F351 Y352 | Y344-T348 VanDerWaalsContact O-CB 3.31Å; Y344-T348 WeakPolarHBondContact O-CB 3.37Å; Y344-T348 PolarHBondContact O-N 2.74Å; Y344-T348 PolarHBondContact O-OG1 3.27Å; T348-F351 PolarHBondContact O-N 2.99Å; T348-Y352 VanDerWaalsContact O-CB 3.28Å; T348-Y352 WeakPolarHBondContact O-CB 3.46Å; T348-Y352 PolarHBondContact O-N 2.78Å |
| 349 | F | 80.7 | Confident | 77.8 | Confident | 124 Ų | 124 | 108.1 Ų | 108.1 | 54% | 0.544 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 174.6 | -177.6 | -99.5 | 0 | 0 | 0 | 112.5 | L345 N346 I347 Y352 R353 | L345-F349 WeakPolarHBondContact O-CB 3.42Å; L345-F349 PolarHBondContact O-N 2.92Å; N346-F349 PolarHBondContact O-N 3.12Å; I347-F349 VanDerWaalsContact C-N 3.29Å; I347-F349 PolarHBondContact O-N 3.39Å; F349-Y352 PolarHBondContact O-N 2.86Å; F349-R353 WeakPolarHBondContact O-CB 3.34Å; F349-R353 PolarHBondContact O-N 2.74Å |
| 350 | L | 80.6 | Confident | 78.1 | Confident | 103 Ų | 103 | 109.9 Ų | 109.9 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 174.4 | -75 | 171.1 | 0 | 0 | 0 | 111.8 | N346 I347 R353 R354 | N346-L350 WeakPolarHBondContact O-CB 3.06Å; N346-L350 VanDerWaalsContact O-CG 3.22Å; N346-L350 WeakPolarHBondContact O-CG 3.08Å; N346-L350 PolarHBondContact O-N 2.77Å; I347-L350 PolarHBondContact O-N 2.89Å; L350-R353 PolarHBondContact O-N 2.85Å; L350-R354 WeakPolarHBondContact O-CB 3.44Å; L350-R354 PolarHBondContact O-N 2.98Å |
| 351 | F | 80.3 | Confident | 78 | Confident | 143 Ų | 143 | 114 Ų | 114 | 63% | 0.627 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -47.5 | 175.9 | -170.4 | -95.8 | 0 | 0 | 0 | 110.9 | I347 T348 R353 R354 L355 | I347-F351 WeakPolarHBondContact O-CB 3.4Å; I347-F351 PolarHBondContact O-N 3.29Å; T348-F351 PolarHBondContact O-N 2.99Å; F351-R353 PolarHBondContact O-N 3.49Å; F351-R354 PolarHBondContact O-N 2.72Å; F351-L355 WeakPolarHBondContact O-CB 3.35Å; F351-L355 PolarHBondContact O-N 3.2Å |
| 352 | Y | 82 | Confident | 77.6 | Confident | 139 Ų | 139 | 113.5 Ų | 113.5 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 173.9 | 178.6 | -97.8 | 0 | 0 | 0 | 112 | T348 F349 R354 L355 K356 | T348-Y352 VanDerWaalsContact O-CB 3.28Å; T348-Y352 WeakPolarHBondContact O-CB 3.46Å; T348-Y352 PolarHBondContact O-N 2.78Å; F349-Y352 PolarHBondContact O-N 2.86Å; Y352-R354 PolarHBondContact O-N 2.92Å; Y352-L355 PolarHBondContact O-N 3.42Å; Y352-K356 HydrophobicContact CE1-CD 4.35Å; Y352-K356 WeakPolarHBondContact O-CB 3.45Å; Y352-K356 PolarHBondContact O-N 2.94Å |
| 353 | R | 83.6 | Confident | 76.9 | Confident | 134 Ų | 134 | 112.2 Ų | 112.2 | 51% | 0.506 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 176.8 | -171.2 | 177.6 | -176.6 | -176.1 | 0.3 | 112 | F349 L350 F351 R357 | F349-R353 WeakPolarHBondContact O-CB 3.34Å; F349-R353 PolarHBondContact O-N 2.74Å; L350-R353 PolarHBondContact O-N 2.85Å; F351-R353 PolarHBondContact O-N 3.49Å; R353-R357 WeakPolarHBondContact O-CG 3.4Å; R353-R357 PolarHBondContact O-N 2.94Å; R353-R357 VanDerWaalsContact O-N 3.11Å |
| 354 | R | 83 | Confident | 76.3 | Confident | 189 Ų | 189 | 112.5 Ų | 112.5 | 71% | 0.713 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.8 | -45.3 | 174.1 | -82.2 | -175.1 | 173.4 | -179.4 | -1.5 | 111.5 | L350 F351 Y352 K356 R357 L358 | L350-R354 WeakPolarHBondContact O-CB 3.44Å; L350-R354 PolarHBondContact O-N 2.98Å; F351-R354 PolarHBondContact O-N 2.72Å; Y352-R354 PolarHBondContact O-N 2.92Å; R354-K356 PolarHBondContact O-N 3.42Å; R354-R357 PolarHBondContact O-N 3.14Å; R354-L358 PolarHBondContact O-N 3.1Å |
| 355 | L | 81 | Confident | 75.4 | Confident | 89 Ų | 89 | 110.1 Ų | 110.1 | 47% | 0.466 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.6 | -162.1 | 76.3 | 0 | 0 | 0 | 111.2 | F351 Y352 R357 L358 T359 | F351-L355 WeakPolarHBondContact O-CB 3.35Å; F351-L355 PolarHBondContact O-N 3.2Å; Y352-L355 PolarHBondContact O-N 3.42Å; L355-R357 PolarHBondContact O-N 3.4Å; L355-L358 WeakPolarHBondContact O-CB 3.39Å; L355-L358 PolarHBondContact O-N 3.06Å; L355-L358 VanDerWaalsContact O-N 3.17Å; L355-T359 PolarHBondContact O-N 3.37Å; L355-T359 PolarHBondContact O-OG1 2.77Å |
| 356 | K | 81.7 | Confident | 74.4 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 175.7 | -168.7 | 175.3 | -176.8 | 177.6 | 0 | 112.4 | Y352 R354 T359 T360 | Y352-K356 HydrophobicContact CE1-CD 4.35Å; Y352-K356 WeakPolarHBondContact O-CB 3.45Å; Y352-K356 PolarHBondContact O-N 2.94Å; R354-K356 PolarHBondContact O-N 3.42Å; K356-T359 WeakPolarHBondContact CA-OG1 3.42Å; K356-T359 PolarHBondContact O-N 2.9Å; K356-T359 PolarHBondContact O-OG1 2.83Å; K356-T360 WeakPolarHBondContact O-CB 3.27Å; K356-T360 PolarHBondContact O-N 2.74Å; K356-T360 PolarHBondContact O-OG1 2.96Å |
| 357 | R | 79 | Confident | 73.5 | Confident | 147 Ų | 147 | 107.9 Ų | 107.9 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 173.7 | -75.9 | -172.9 | -153.4 | -179.4 | 5 | 111.8 | R353 R354 L355 T360 F361 | R353-R357 WeakPolarHBondContact O-CG 3.4Å; R353-R357 PolarHBondContact O-N 2.94Å; R353-R357 VanDerWaalsContact O-N 3.11Å; R354-R357 PolarHBondContact O-N 3.14Å; L355-R357 PolarHBondContact O-N 3.4Å; R357-T360 PolarHBondContact O-N 3.47Å; R357-F361 WeakPolarHBondContact O-CB 3.46Å; R357-F361 PolarHBondContact O-N 3.11Å |
| 358 | L | 78.7 | Confident | 72.5 | Confident | 121 Ų | 121 | 106.9 Ų | 106.9 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 177.6 | -76 | 160.5 | 0 | 0 | 0 | 111.9 | R354 L355 T362 | R354-L358 PolarHBondContact O-N 3.1Å; L355-L358 WeakPolarHBondContact O-CB 3.39Å; L355-L358 PolarHBondContact O-N 3.06Å; L355-L358 VanDerWaalsContact O-N 3.17Å; L358-T362 PolarHBondContact O-N 2.04Å; L358-T362 PolarHBondContact O-OG1 3.31Å |
| 359 | T | 75.4 | Confident | 71.5 | Confident | 75 Ų | 75 | 108.9 Ų | 108.9 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | L355 K356 T362 T363 | L355-T359 PolarHBondContact O-N 3.37Å; L355-T359 PolarHBondContact O-OG1 2.77Å; K356-T359 WeakPolarHBondContact CA-OG1 3.42Å; K356-T359 PolarHBondContact O-N 2.9Å; K356-T359 PolarHBondContact O-OG1 2.83Å; T359-T362 VanDerWaalsContact CA-OG1 3.29Å; T359-T362 WeakPolarHBondContact CA-OG1 3.44Å; T359-T362 PolarHBondContact O-N 3.15Å; T359-T362 PolarHBondContact O-OG1 2.8Å; T359-T362 VanDerWaalsContact O-OG1 3.06Å; T359-T363 PolarHBondContact O-N 2.78Å; T359-T363 VanDerWaalsContact O-N 3.11Å; T359-T363 PolarHBondContact O-OG1 2.88Å |
| 360 | T | 74.4 | Confident | 70.4 | Confident | 74 Ų | 74 | 107.5 Ų | 107.5 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 176.8 | -43.2 | 0 | 0 | 0 | 0 | 111.4 | K356 R357 T362 T363 T364 | K356-T360 WeakPolarHBondContact O-CB 3.27Å; K356-T360 PolarHBondContact O-N 2.74Å; K356-T360 PolarHBondContact O-OG1 2.96Å; R357-T360 PolarHBondContact O-N 3.47Å; T360-T362 VanDerWaalsContact C-N 3.33Å; T360-T363 WeakPolarHBondContact CA-OG1 2.93Å; T360-T363 PolarHBondContact O-N 3.46Å; T360-T363 PolarHBondContact O-OG1 3.2Å; T360-T364 PolarHBondContact O-N 3.34Å; T360-T364 VanDerWaalsContact O-N 3.09Å; T360-T364 PolarHBondContact O-OG1 3.45Å |
| 361 | F | 69.1 | Low | 69.3 | Low | 142 Ų | 142 | 106.9 Ų | 106.9 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.6 | -36.2 | 173.6 | -107.8 | -81.1 | 0 | 0 | 0 | 112.6 | R357 T364 N365 | R357-F361 WeakPolarHBondContact O-CB 3.46Å; R357-F361 PolarHBondContact O-N 3.11Å; F361-T364 WeakPolarHBondContact CA-OG1 3.5Å; F361-T364 PolarHBondContact O-OG1 3.39Å; F361-N365 PolarHBondContact O-N 3.05Å |
| 362 | T | 64.3 | Low | 68.2 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.3 | -38.6 | 176.4 | 13.7 | 0 | 0 | 0 | 0 | 111.5 | L358 T359 T360 T366 | L358-T362 PolarHBondContact O-N 2.04Å; L358-T362 PolarHBondContact O-OG1 3.31Å; T359-T362 VanDerWaalsContact CA-OG1 3.29Å; T359-T362 WeakPolarHBondContact CA-OG1 3.44Å; T359-T362 PolarHBondContact O-N 3.15Å; T359-T362 PolarHBondContact O-OG1 2.8Å; T359-T362 VanDerWaalsContact O-OG1 3.06Å; T360-T362 VanDerWaalsContact C-N 3.33Å; T362-T366 PolarHBondContact O-N 3.43Å; T362-T366 VanDerWaalsContact O-N 3.1Å; T362-T366 PolarHBondContact O-OG1 2.91Å |
| 363 | T | 60.5 | Low | 67.1 | Low | 85 Ų | 85 | 103.1 Ų | 103.1 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 178.7 | 13.4 | 0 | 0 | 0 | 0 | 113.3 | T359 T360 T366 T367 | T359-T363 PolarHBondContact O-N 2.78Å; T359-T363 VanDerWaalsContact O-N 3.11Å; T359-T363 PolarHBondContact O-OG1 2.88Å; T360-T363 WeakPolarHBondContact CA-OG1 2.93Å; T360-T363 PolarHBondContact O-N 3.46Å; T360-T363 PolarHBondContact O-OG1 3.2Å; T363-T366 PolarHBondContact O-N 3.08Å; T363-T367 PolarHBondContact O-N 2.94Å; T363-T367 PolarHBondContact O-OG1 3.18Å |
| 364 | T | 59.6 | Low | 65.9 | Low | 68 Ų | 68 | 102.1 Ų | 102.1 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 175.2 | 26.5 | 0 | 0 | 0 | 0 | 111.1 | T360 F361 T366 T367 D368 | T360-T364 PolarHBondContact O-N 3.34Å; T360-T364 VanDerWaalsContact O-N 3.09Å; T360-T364 PolarHBondContact O-OG1 3.45Å; F361-T364 WeakPolarHBondContact CA-OG1 3.5Å; F361-T364 PolarHBondContact O-OG1 3.39Å; T364-T366 VanDerWaalsContact C-N 3.32Å; T364-T366 PolarHBondContact O-N 2.94Å; T364-T367 PolarHBondContact O-N 2.99Å; T364-T367 VanDerWaalsContact O-N 3.16Å; T364-D368 PolarHBondContact O-N 3.18Å |
| 365 | N | 58.5 | Low | 64.7 | Low | 98 Ų | 98 | 99 Ų | 99 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 176.3 | -71 | -0.1 | 0 | 0 | 0 | 113.4 | F361 N369 | F361-N365 PolarHBondContact O-N 3.05Å; N365-N369 PolarHBondContact O-N 2.74Å |
| 366 | T | 57.8 | Low | 63.6 | Low | 78 Ų | 78 | 100.8 Ų | 100.8 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72 | -34.5 | 176.1 | -44.8 | 0 | 0 | 0 | 0 | 112.4 | T362 T363 T364 N370 | T362-T366 PolarHBondContact O-N 3.43Å; T362-T366 VanDerWaalsContact O-N 3.1Å; T362-T366 PolarHBondContact O-OG1 2.91Å; T363-T366 PolarHBondContact O-N 3.08Å; T364-T366 VanDerWaalsContact C-N 3.32Å; T364-T366 PolarHBondContact O-N 2.94Å; T366-N370 PolarHBondContact O-N 2.86Å; T366-N370 VanDerWaalsContact O-N 3.1Å |
| 367 | T | 57.4 | Low | 62.4 | Low | 73 Ų | 73 | 102 Ų | 102 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.7 | -38.5 | -179.7 | -46.6 | 0 | 0 | 0 | 0 | 111.2 | T363 T364 N369 N370 N371 | T363-T367 PolarHBondContact O-N 2.94Å; T363-T367 PolarHBondContact O-OG1 3.18Å; T364-T367 PolarHBondContact O-N 2.99Å; T364-T367 VanDerWaalsContact O-N 3.16Å; T367-N369 VanDerWaalsContact C-N 3.34Å; T367-N370 PolarHBondContact O-N 3.03Å; T367-N371 PolarHBondContact O-N 2.9Å |
| 368 | D | 57.2 | Low | 61.1 | Low | 94 Ų | 94 | 107.3 Ų | 107.3 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.4 | -36.2 | 175.7 | -70.6 | -19.8 | 0 | 0 | 0 | 111.9 | T364 N372 | T364-D368 PolarHBondContact O-N 3.18Å; D368-N372 PolarHBondContact O-N 2.89Å; D368-N372 VanDerWaalsContact O-N 3.13Å |
| 369 | N | 57.3 | Low | 60.2 | Low | 104 Ų | 104 | 106.6 Ų | 106.6 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.3 | -44.3 | 173.1 | -77.7 | -5.8 | 0 | 0 | 0 | 112.3 | N365 T367 N371 N372 D373 | N365-N369 PolarHBondContact O-N 2.74Å; T367-N369 VanDerWaalsContact C-N 3.34Å; N369-N371 VanDerWaalsContact C-N 3.34Å; N369-N371 PolarHBondContact O-N 3.45Å; N369-N372 PolarHBondContact O-N 2.86Å; N369-D373 PolarHBondContact O-N 3.28Å; N369-D373 VanDerWaalsContact O-N 3.09Å |
| 370 | N | 57.3 | Low | 59.4 | Low | 95 Ų | 95 | 108.3 Ų | 108.3 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.1 | -31.9 | 178.7 | -77 | -4.2 | 0 | 0 | 0 | 113.3 | T366 T367 N374 | T366-N370 PolarHBondContact O-N 2.86Å; T366-N370 VanDerWaalsContact O-N 3.1Å; T367-N370 PolarHBondContact O-N 3.03Å; N370-N374 PolarHBondContact O-N 3.18Å |
| 371 | N | 57.4 | Low | 58.6 | Low | 91 Ų | 91 | 110.2 Ų | 110.2 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.1 | -33.5 | 176 | -80.6 | -16 | 0 | 0 | 0 | 112.5 | T367 N369 N374 N375 | T367-N371 PolarHBondContact O-N 2.9Å; N369-N371 VanDerWaalsContact C-N 3.34Å; N369-N371 PolarHBondContact O-N 3.45Å; N371-N374 PolarHBondContact O-N 3.49Å; N371-N375 PolarHBondContact O-N 3.36Å |
| 372 | N | 57.5 | Low | 58 | Low | 100 Ų | 100 | 108.3 Ų | 108.3 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.7 | -37 | 173.4 | -80 | -18 | 0 | 0 | 0 | 112.2 | D368 N369 N374 N375 N376 | D368-N372 PolarHBondContact O-N 2.89Å; D368-N372 VanDerWaalsContact O-N 3.13Å; N369-N372 PolarHBondContact O-N 2.86Å; N372-N374 VanDerWaalsContact C-N 3.33Å; N372-N374 PolarHBondContact O-N 3.43Å; N372-N375 PolarHBondContact O-N 2.99Å; N372-N376 PolarHBondContact O-N 3.23Å |
| 373 | D | 58.3 | Low | 57.6 | Low | 102 Ų | 102 | 109.6 Ų | 109.6 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.1 | -33.5 | 176 | -74.1 | -19.4 | 0 | 0 | 0 | 112.5 | N369 | N369-D373 PolarHBondContact O-N 3.28Å; N369-D373 VanDerWaalsContact O-N 3.09Å |
| 374 | N | 58 | Low | 57.4 | Low | 114 Ų | 114 | 111.3 Ų | 111.3 | 61% | 0.61 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.3 | -25.6 | 176.6 | -80.8 | -22.9 | 0 | 0 | 0 | 114.1 | N370 N371 N372 | N370-N374 PolarHBondContact O-N 3.18Å; N371-N374 PolarHBondContact O-N 3.49Å; N372-N374 VanDerWaalsContact C-N 3.33Å; N372-N374 PolarHBondContact O-N 3.43Å |
| 375 | N | 57.9 | Low | 57.2 | Low | 122 Ų | 122 | 114.4 Ų | 114.4 | 65% | 0.652 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -81.1 | -15.6 | 178 | -84.5 | -16.5 | 0 | 0 | 0 | 113.7 | N371 N372 | N371-N375 PolarHBondContact O-N 3.36Å; N372-N375 PolarHBondContact O-N 2.99Å |
| 376 | N | 58.4 | Low | 57.1 | Low | 128 Ų | 128 | 115.6 Ų | 115.6 | 68% | 0.684 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -0.7 | 176.7 | -73.5 | -20.3 | 0 | 0 | 0 | 114.1 | N372 | N372-N376 PolarHBondContact O-N 3.23Š|
| 377 | N | 57.5 | Low | 57.1 | Low | 145 Ų | 145 | 118.8 Ų | 118.8 | 78% | 0.775 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 27.6 | -179.5 | -84.5 | -16.3 | 0 | 0 | 0 | 114 | ||
| 378 | K | 50.5 | Low | 57 | Low | 257 Ų | 257 | 122.9 Ų | 122.9 | 100% | 1.117 | 63% | 0.634 | S | S | * | * | trans | -120.3 | 0 | 163 | -80.3 | -176.4 | 178.4 | 176.1 | 0 | 109 |
Retrieved 378 of 378 residues in 254.7 ms
(Link to these results)