| 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 | 46.3 | Very low | 63.7 | Low | 212 Ų | 212 | 92.9 Ų | 92.9 | 100% | 1.044 | 53% | 0.532 | S | S | * | . | 0 | 128.2 | 0 | -76.4 | 171.7 | 175.5 | 0 | 0 | 107.6 | |||||
| 2 | T | 52.4 | Low | 64.7 | Low | 89 Ų | 89 | 86.6 Ų | 86.6 | 55% | 0.546 | 50% | 0.503 | S | S | . | . | trans | -66.8 | 151.6 | 172.2 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | C4 E5 G6 | T2-C4 PolarHBondContact O-N 3.18Å; T2-E5 PolarHBondContact N-OE2 3.44Å; T2-E5 PolarHBondContact O-N 3.33Å; T2-E5 PolarHBondContact OG1-OE2 3.43Å; T2-G6 PolarHBondContact O-N 2.95Å | ||
| 3 | C | 54.3 | Low | 65.9 | Low | 125 Ų | 125 | 88.5 Ų | 88.5 | 85% | 0.845 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -53.5 | -29.8 | 177.2 | -82.2 | 0 | 0 | 0 | 0 | 112.8 | W7 | C3-W7 WeakPolarHBondContact O-CB 3.41Å; C3-W7 PolarHBondContact O-N 3.5Å |
| 4 | C | 58.8 | Low | 67.2 | Low | 83 Ų | 83 | 84.6 Ų | 84.6 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.3 | -34 | 176.5 | -75.9 | 0 | 0 | 0 | 0 | 113.8 | T2 T8 | T2-C4 PolarHBondContact O-N 3.18Å; C4-T8 WeakPolarHBondContact O-CB 3.5Å; C4-T8 WeakPolarHBondContact O-CG2 3.3Å; C4-T8 PolarHBondContact O-N 3.17Å; C4-T8 VanDerWaalsContact O-N 3.07Å; C4-T8 PolarHBondContact O-OG1 3.47Å |
| 5 | E | 60 | Low | 68.2 | Low | 106 Ų | 106 | 79.7 Ų | 79.7 | 50% | 0.495 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 177.9 | -77.9 | 166.8 | 124.1 | 0 | 0 | 112 | T2 T8 S9 | T2-E5 PolarHBondContact N-OE2 3.44Å; T2-E5 PolarHBondContact O-N 3.33Å; T2-E5 PolarHBondContact OG1-OE2 3.43Å; E5-T8 PolarHBondContact O-OG1 3.07Å; E5-T8 VanDerWaalsContact O-OG1 3.08Å; E5-S9 VanDerWaalsContact O-CB 3.32Å; E5-S9 WeakPolarHBondContact O-CB 3.31Å; E5-S9 PolarHBondContact O-N 2.9Å; E5-S9 VanDerWaalsContact O-N 3.11Å |
| 6 | G | 63.8 | Low | 69 | Low | 39 Ų | 39 | 78.2 Ų | 78.2 | 40% | 0.402 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T2 S9 C10 | T2-G6 PolarHBondContact O-N 2.95Å; G6-S9 PolarHBondContact O-N 3.34Å; G6-C10 WeakPolarHBondContact O-CB 3.31Å; G6-C10 PolarHBondContact O-N 2.86Å |
| 7 | W | 66.3 | Low | 70 | Confident | 165 Ų | 165 | 77.6 Ų | 77.6 | 63% | 0.625 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.5 | -46 | 179.8 | -172.3 | -71.2 | 0 | 0 | 0 | 112.7 | C3 S9 C10 N11 I212 | C3-W7 WeakPolarHBondContact O-CB 3.41Å; C3-W7 PolarHBondContact O-N 3.5Å; W7-S9 VanDerWaalsContact C-N 3.33Å; W7-S9 PolarHBondContact O-N 3.34Å; W7-C10 PolarHBondContact O-N 3.44Å; W7-N11 WeakPolarHBondContact O-CB 3.42Å; W7-N11 PolarHBondContact O-N 3.42Å; W7-I212 HydrophobicContact CG-CD1 4.22Å |
| 8 | T | 69.8 | Low | 71 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 179 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | C4 E5 G12 I212 | C4-T8 WeakPolarHBondContact O-CB 3.5Å; C4-T8 WeakPolarHBondContact O-CG2 3.3Å; C4-T8 PolarHBondContact O-N 3.17Å; C4-T8 VanDerWaalsContact O-N 3.07Å; C4-T8 PolarHBondContact O-OG1 3.47Å; E5-T8 PolarHBondContact O-OG1 3.07Å; E5-T8 VanDerWaalsContact O-OG1 3.08Å; T8-G12 PolarHBondContact O-N 3.41Å; T8-I212 HydrophobicContact CG2-CB 4.48Å; T8-I212 HydrophobicContact CG2-CG2 3.49Å; T8-I212 VanDerWaalsContact CG2-CG2 3.49Å |
| 9 | S | 70.9 | Confident | 71.6 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 39% | 0.392 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 176 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | E5 G6 W7 F13 | E5-S9 VanDerWaalsContact O-CB 3.32Å; E5-S9 WeakPolarHBondContact O-CB 3.31Å; E5-S9 PolarHBondContact O-N 2.9Å; E5-S9 VanDerWaalsContact O-N 3.11Å; G6-S9 PolarHBondContact O-N 3.34Å; W7-S9 VanDerWaalsContact C-N 3.33Å; W7-S9 PolarHBondContact O-N 3.34Å; S9-F13 WeakPolarHBondContact O-CB 3.46Å; S9-F13 PolarHBondContact O-N 3.5Å |
| 10 | C | 78.7 | Confident | 72.3 | Confident | 80 Ų | 80 | 73 Ų | 73 | 54% | 0.541 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 175.9 | -173 | 0 | 0 | 0 | 0 | 110.8 | G6 W7 G12 F13 S14 | G6-C10 WeakPolarHBondContact O-CB 3.31Å; G6-C10 PolarHBondContact O-N 2.86Å; W7-C10 PolarHBondContact O-N 3.44Å; C10-G12 PolarHBondContact O-N 2.97Å; C10-F13 PolarHBondContact O-N 3.34Å; C10-F13 VanDerWaalsContact O-N 3.15Å; C10-S14 PolarHBondContact O-N 3.46Å; C10-S14 PolarHBondContact O-OG 3.18Å |
| 11 | N | 79.2 | Confident | 73.1 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.032 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 179.9 | -169.1 | 10.7 | 0 | 0 | 0 | 112.1 | W7 F13 S14 L15 F205 Q209 | W7-N11 WeakPolarHBondContact O-CB 3.42Å; W7-N11 PolarHBondContact O-N 3.42Å; N11-F13 VanDerWaalsContact C-N 3.3Å; N11-F13 PolarHBondContact O-N 3.49Å; N11-S14 PolarHBondContact O-N 2.89Å; N11-L15 PolarHBondContact O-N 3.48Å; N11-F205 PolarHBondContact ND2-O 3.06Å; N11-F205 WeakPolarHBondContact OD1-CB 3.1Å; N11-F205 WeakPolarHBondContact OD1-CD1 3.42Å; N11-F205 WeakPolarHBondContact OD1-CG 3.29Å; N11-F205 PolarHBondContact OD1-O 3.43Å; N11-Q209 PolarHBondContact ND2-N 3.05Å |
| 12 | G | 76.4 | Confident | 75 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.8 | -33.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T8 C10 L16 | T8-G12 PolarHBondContact O-N 3.41Å; C10-G12 PolarHBondContact O-N 2.97Å; G12-L16 PolarHBondContact O-N 3.46Å; G12-L16 VanDerWaalsContact O-N 3.16Å |
| 13 | F | 79.5 | Confident | 76.6 | Confident | 112 Ų | 112 | 61.8 Ų | 61.8 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71 | -43.7 | 173.9 | -179.5 | -100 | 0 | 0 | 0 | 112 | S9 C10 N11 L15 L16 V17 | S9-F13 WeakPolarHBondContact O-CB 3.46Å; S9-F13 PolarHBondContact O-N 3.5Å; C10-F13 PolarHBondContact O-N 3.34Å; C10-F13 VanDerWaalsContact O-N 3.15Å; N11-F13 VanDerWaalsContact C-N 3.3Å; N11-F13 PolarHBondContact O-N 3.49Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.36Å; F13-L16 WeakPolarHBondContact O-CB 3.5Å; F13-L16 PolarHBondContact O-N 3.17Å; F13-L16 VanDerWaalsContact O-N 3.17Å; F13-V17 HydrophobicContact CD1-CG2 4.27Å; F13-V17 HydrophobicContact CE1-CG2 3.81Å; F13-V17 HydrophobicContact CE2-CG2 4.41Å; F13-V17 HydrophobicContact CZ-CG2 3.89Å; F13-V17 WeakPolarHBondContact O-CG2 3.36Å; F13-V17 PolarHBondContact O-N 3.04Å |
| 14 | S | 84.6 | Confident | 78.2 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 175.1 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | C10 N11 L16 V17 L18 | C10-S14 PolarHBondContact O-N 3.46Å; C10-S14 PolarHBondContact O-OG 3.18Å; N11-S14 PolarHBondContact O-N 2.89Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-L16 PolarHBondContact O-N 2.85Å; S14-V17 PolarHBondContact O-N 2.82Å; S14-L18 WeakPolarHBondContact O-CG 3.34Å; S14-L18 PolarHBondContact O-N 3.11Å |
| 15 | L | 82 | Confident | 79.6 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 173.7 | -81.8 | 165.6 | 0 | 0 | 0 | 112.2 | N11 F13 V17 L18 L19 T94 E202 F205 Q209 | N11-L15 PolarHBondContact O-N 3.48Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.36Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.09Å; L15-L18 PolarHBondContact O-N 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.22Å; L15-L19 WeakPolarHBondContact O-CD1 3.17Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.03Å; L15-T94 HydrophobicContact CD2-CG2 4.45Å; L15-E202 HydrophobicContact CD2-CB 4.39Å; L15-E202 HydrophobicContact CD2-CG 4.39Å; L15-F205 HydrophobicContact CD1-CB 4.19Å; L15-F205 HydrophobicContact CD2-CB 3.77Å; L15-F205 HydrophobicContact CG-CB 3.75Å; L15-Q209 VanDerWaalsContact CD1-OE1 3.31Å |
| 16 | L | 80.6 | Confident | 80.9 | Confident | 55 Ų | 55 | 52.4 Ų | 52.4 | 29% | 0.288 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.1 | -180 | 72 | 0 | 0 | 0 | 111.9 | G12 F13 S14 L20 T66 | G12-L16 PolarHBondContact O-N 3.46Å; G12-L16 VanDerWaalsContact O-N 3.16Å; F13-L16 WeakPolarHBondContact O-CB 3.5Å; F13-L16 PolarHBondContact O-N 3.17Å; F13-L16 VanDerWaalsContact O-N 3.17Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-L16 PolarHBondContact O-N 2.85Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.43Å; L16-L20 VanDerWaalsContact O-N 3.14Å; L16-T66 HydrophobicContact CD1-CG2 3.49Å; L16-T66 VanDerWaalsContact CD1-CG2 3.49Å |
| 17 | V | 86.9 | Confident | 81.8 | Confident | 69 Ų | 69 | 52 Ų | 52 | 42% | 0.418 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 178.4 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | F13 S14 L15 L20 L21 | F13-V17 HydrophobicContact CD1-CG2 4.27Å; F13-V17 HydrophobicContact CE1-CG2 3.81Å; F13-V17 HydrophobicContact CE2-CG2 4.41Å; F13-V17 HydrophobicContact CZ-CG2 3.89Å; F13-V17 WeakPolarHBondContact O-CG2 3.36Å; F13-V17 PolarHBondContact O-N 3.04Å; S14-V17 PolarHBondContact O-N 2.82Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 3.38Å; V17-L21 WeakPolarHBondContact O-CB 3.45Å; V17-L21 PolarHBondContact O-N 3.32Å |
| 18 | L | 87.9 | Confident | 82.8 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.4 | -72.2 | 169.1 | 0 | 0 | 0 | 112 | S14 L15 L20 L21 G22 V198 L201 E202 F205 | S14-L18 WeakPolarHBondContact O-CG 3.34Å; S14-L18 PolarHBondContact O-N 3.11Å; L15-L18 PolarHBondContact O-N 3.24Å; L18-L20 PolarHBondContact O-N 2.74Å; L18-L21 CarbonylContact O-C 3.43Å; L18-L21 WeakPolarHBondContact O-CB 3.45Å; L18-L21 PolarHBondContact O-N 3.26Å; L18-L21 VanDerWaalsContact O-N 3.15Å; L18-G22 PolarHBondContact O-N 3.42Å; L18-V198 HydrophobicContact CB-CG1 4.32Å; L18-V198 HydrophobicContact CD2-CG2 4.49Å; L18-V198 WeakPolarHBondContact O-CG1 3.46Å; L18-L201 HydrophobicContact CD1-CB 3.66Å; L18-L201 HydrophobicContact CD2-CB 4.01Å; L18-L201 HydrophobicContact CD2-CD1 3.8Å; L18-E202 HydrophobicContact CB-CG 3.97Å; L18-E202 HydrophobicContact CD1-CG 4.34Å; L18-F205 HydrophobicContact CD1-CD2 3.47Å; L18-F205 VanDerWaalsContact CD1-CD2 3.47Å; L18-F205 HydrophobicContact CD1-CE2 3.8Å |
| 19 | L | 82.9 | Confident | 83.2 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 175.4 | -74.4 | 166.9 | 0 | 0 | 0 | 111.9 | L15 L21 G22 V23 A58 A62 T66 E202 | L15-L19 WeakPolarHBondContact O-CB 3.22Å; L15-L19 WeakPolarHBondContact O-CD1 3.17Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.03Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.43Å; L19-G22 PolarHBondContact O-N 2.99Å; L19-V23 WeakPolarHBondContact O-CG2 3.32Å; L19-V23 PolarHBondContact O-N 3.25Å; L19-A58 HydrophobicContact CD2-CB 3.77Å; L19-A58 WeakPolarHBondContact CD2-O 3.14Å; L19-A62 HydrophobicContact CD1-CB 3.5Å; L19-A62 VanDerWaalsContact CD1-CB 3.5Å; L19-A62 HydrophobicContact CD2-CB 3.62Å; L19-A62 HydrophobicContact CG-CB 4.11Å; L19-T66 HydrophobicContact CD1-CG2 4.19Å; L19-E202 WeakPolarHBondContact CD2-OE1 3.39Å |
| 20 | L | 84.9 | Confident | 83.6 | Confident | 108 Ų | 108 | 45.2 Ų | 45.2 | 57% | 0.565 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 176 | -69.3 | 176.7 | 0 | 0 | 0 | 111.3 | L16 V17 L18 V23 V24 | L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.43Å; L16-L20 VanDerWaalsContact O-N 3.14Å; V17-L20 PolarHBondContact O-N 3.38Å; L18-L20 PolarHBondContact O-N 2.74Å; L20-V23 PolarHBondContact O-N 2.95Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 3.41Å |
| 21 | L | 88.9 | Confident | 83.6 | Confident | 81 Ų | 81 | 45.8 Ų | 45.8 | 42% | 0.424 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.7 | -175 | 61.6 | 0 | 0 | 0 | 111.6 | V17 L18 L19 V23 V24 L25 V198 | V17-L21 WeakPolarHBondContact O-CB 3.45Å; V17-L21 PolarHBondContact O-N 3.32Å; L18-L21 CarbonylContact O-C 3.43Å; L18-L21 WeakPolarHBondContact O-CB 3.45Å; L18-L21 PolarHBondContact O-N 3.26Å; L18-L21 VanDerWaalsContact O-N 3.15Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.43Å; L21-V23 PolarHBondContact O-N 2.84Å; L21-V24 PolarHBondContact O-N 3.35Å; L21-L25 HydrophobicContact CD1-CG 4.4Å; L21-L25 HydrophobicContact CG-CD1 4.12Å; L21-L25 HydrophobicContact CG-CG 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 VanDerWaalsContact O-CG 3.32Å; L21-L25 WeakPolarHBondContact O-CG 3.42Å; L21-L25 PolarHBondContact O-N 3.29Å; L21-V198 HydrophobicContact CB-CG2 4.45Å; L21-V198 HydrophobicContact CD2-CG2 3.77Å; L21-V198 HydrophobicContact CG-CG2 4.01Å |
| 22 | G | 87.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L18 L19 L25 N26 L195 | L18-G22 PolarHBondContact O-N 3.42Å; L19-G22 PolarHBondContact O-N 2.99Å; G22-L25 PolarHBondContact O-N 3.16Å; G22-N26 WeakPolarHBondContact O-CB 3.42Å; G22-N26 PolarHBondContact O-N 3.19Å; G22-L195 WeakPolarHBondContact O-CD2 3.2Å |
| 23 | V | 85.5 | Confident | 83.4 | Confident | 57 Ų | 57 | 46.9 Ų | 46.9 | 35% | 0.345 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L19 L20 L21 N26 A27 | L19-V23 WeakPolarHBondContact O-CG2 3.32Å; L19-V23 PolarHBondContact O-N 3.25Å; L20-V23 PolarHBondContact O-N 2.95Å; L21-V23 PolarHBondContact O-N 2.84Å; V23-N26 PolarHBondContact O-N 3.22Å; V23-A27 PolarHBondContact O-N 3.18Å |
| 24 | V | 87.7 | Confident | 83.1 | Confident | 86 Ų | 86 | 46.2 Ų | 46.2 | 52% | 0.521 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | L20 L21 N26 A27 I28 | L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 3.41Å; L21-V24 PolarHBondContact O-N 3.35Å; V24-N26 VanDerWaalsContact C-N 3.29Å; V24-N26 PolarHBondContact O-N 3.38Å; V24-A27 WeakPolarHBondContact O-CB 3.48Å; V24-A27 PolarHBondContact O-N 3.12Å; V24-I28 WeakPolarHBondContact O-CG1 3.36Å; V24-I28 PolarHBondContact O-N 3.5Å |
| 25 | L | 89.1 | Confident | 82.6 | Confident | 24 Ų | 24 | 49.5 Ų | 49.5 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 178.1 | -73.5 | 172 | 0 | 0 | 0 | 111.7 | L21 G22 A27 I28 P29 V191 L195 V198 | L21-L25 HydrophobicContact CD1-CG 4.4Å; L21-L25 HydrophobicContact CG-CD1 4.12Å; L21-L25 HydrophobicContact CG-CG 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 VanDerWaalsContact O-CG 3.32Å; L21-L25 WeakPolarHBondContact O-CG 3.42Å; L21-L25 PolarHBondContact O-N 3.29Å; G22-L25 PolarHBondContact O-N 3.16Å; L25-A27 VanDerWaalsContact C-N 3.3Å; L25-A27 PolarHBondContact O-N 3.23Å; L25-I28 HydrophobicContact CD2-CD1 4.17Å; L25-I28 PolarHBondContact O-N 2.99Å; L25-P29 WeakPolarHBondContact O-CD 3.49Å; L25-V191 WeakPolarHBondContact O-CG1 3.44Å; L25-L195 HydrophobicContact CB-CD2 3.75Å; L25-L195 HydrophobicContact CB-CG 3.97Å; L25-L195 HydrophobicContact CD1-CD2 4.43Å; L25-V198 HydrophobicContact CD1-CG2 3.99Å |
| 26 | N | 86.1 | Confident | 81.9 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.4 | -26.2 | 175.7 | -166 | 101.8 | 0 | 0 | 0 | 113.1 | G22 V23 V24 F52 P53 G54 I55 | G22-N26 WeakPolarHBondContact O-CB 3.42Å; G22-N26 PolarHBondContact O-N 3.19Å; V23-N26 PolarHBondContact O-N 3.22Å; V24-N26 VanDerWaalsContact C-N 3.29Å; V24-N26 PolarHBondContact O-N 3.38Å; N26-F52 WeakPolarHBondContact ND2-CD1 2.99Å; N26-F52 VanDerWaalsContact OD1-C 3.3Å; N26-P53 WeakPolarHBondContact OD1-CD 3.22Å; N26-G54 PolarHBondContact OD1-N 3.38Å; N26-I55 HydrophobicContact CB-CG1 4.47Å |
| 27 | A | 83.9 | Confident | 80.9 | Confident | 31 Ų | 31 | 56 Ų | 56 | 26% | 0.256 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.9 | -25.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V23 V24 L25 L30 I31 | V23-A27 PolarHBondContact O-N 3.18Å; V24-A27 WeakPolarHBondContact O-CB 3.48Å; V24-A27 PolarHBondContact O-N 3.12Å; L25-A27 VanDerWaalsContact C-N 3.3Å; L25-A27 PolarHBondContact O-N 3.23Å; A27-L30 PolarHBondContact O-N 3.44Å; A27-I31 HydrophobicContact CB-CD1 4.39Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.46Å; A27-I31 PolarHBondContact O-N 2.98Å |
| 28 | I | 85.4 | Confident | 79.3 | Confident | 64 Ų | 64 | 59 Ų | 59 | 33% | 0.328 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.3 | -54.6 | -177 | -67.9 | 166.6 | 0 | 0 | 0 | 111.7 | V24 L25 L30 I31 V32 I187 V191 | V24-I28 WeakPolarHBondContact O-CG1 3.36Å; V24-I28 PolarHBondContact O-N 3.5Å; L25-I28 HydrophobicContact CD2-CD1 4.17Å; L25-I28 PolarHBondContact O-N 2.99Å; I28-L30 VanDerWaalsContact C-N 3.27Å; I28-L30 PolarHBondContact O-N 3.22Å; I28-I31 PolarHBondContact O-N 3.36Å; I28-V32 HydrophobicContact CG2-CG2 4.47Å; I28-V32 VanDerWaalsContact O-CG2 3.29Å; I28-V32 WeakPolarHBondContact O-CG2 3.46Å; I28-V32 PolarHBondContact O-N 3.37Å; I28-I187 HydrophobicContact CG2-CG2 4.21Å; I28-V191 HydrophobicContact CB-CG2 4.04Å; I28-V191 HydrophobicContact CD1-CG2 4.42Å; I28-V191 HydrophobicContact CG2-CG2 3.85Å |
| 29 | P | 79.5 | Confident | 77.6 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 178.2 | -24.3 | 35 | 0 | 0 | 0 | 112.2 | L25 I31 V32 S33 E49 V191 | L25-P29 WeakPolarHBondContact O-CD 3.49Å; P29-I31 PolarHBondContact O-N 3.31Å; P29-V32 PolarHBondContact O-N 3.06Å; P29-V32 VanDerWaalsContact O-N 3.16Å; P29-S33 WeakPolarHBondContact O-CB 3.32Å; P29-S33 PolarHBondContact O-N 3.46Å; P29-S33 PolarHBondContact O-OG 3.21Å; P29-S33 VanDerWaalsContact O-OG 3.06Å; P29-E49 HydrophobicContact CB-CG 3.9Å; P29-E49 WeakPolarHBondContact CB-OE1 3.24Å; P29-E49 WeakPolarHBondContact CB-OE2 3.49Å; P29-V191 HydrophobicContact CG-CB 4.19Å; P29-V191 HydrophobicContact CG-CG1 3.64Å; P29-V191 HydrophobicContact CG-CG2 4.11Å |
| 30 | L | 78.1 | Confident | 75.7 | Confident | 67 Ų | 67 | 73 Ų | 73 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | -178.9 | -172.5 | 71.1 | 0 | 0 | 0 | 111.8 | A27 I28 L34 E49 F52 | A27-L30 PolarHBondContact O-N 3.44Å; I28-L30 VanDerWaalsContact C-N 3.27Å; I28-L30 PolarHBondContact O-N 3.22Å; L30-L34 HydrophobicContact CG-CD1 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 VanDerWaalsContact O-CG 3.25Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.42Å; L30-E49 WeakPolarHBondContact CA-OE1 3.21Å; L30-E49 PolarHBondContact N-OE1 2.9Å; L30-F52 HydrophobicContact CD1-CE1 4.2Å; L30-F52 HydrophobicContact CD1-CZ 4.48Å; L30-F52 HydrophobicContact CD2-CE1 4.44Å |
| 31 | I | 80.4 | Confident | 73.5 | Confident | 92 Ų | 92 | 72.5 Ų | 72.5 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 177.7 | -67.4 | 166.4 | 0 | 0 | 0 | 110.7 | A27 I28 P29 L34 I35 | A27-I31 HydrophobicContact CB-CD1 4.39Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.46Å; A27-I31 PolarHBondContact O-N 2.98Å; I28-I31 PolarHBondContact O-N 3.36Å; P29-I31 PolarHBondContact O-N 3.31Å; I31-L34 PolarHBondContact O-N 3.11Å; I31-I35 HydrophobicContact CG2-CD1 3.78Å; I31-I35 WeakPolarHBondContact O-CD1 3.45Å; I31-I35 VanDerWaalsContact O-CG1 3.28Å; I31-I35 WeakPolarHBondContact O-CG1 3.44Å; I31-I35 PolarHBondContact O-N 3.42Å; I31-I35 VanDerWaalsContact O-N 3.09Å |
| 32 | V | 79.7 | Confident | 71.4 | Confident | 22 Ų | 22 | 77.4 Ų | 77.4 | 13% | 0.133 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 178.4 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | I28 P29 L34 I35 E36 I45 I187 | I28-V32 HydrophobicContact CG2-CG2 4.47Å; I28-V32 VanDerWaalsContact O-CG2 3.29Å; I28-V32 WeakPolarHBondContact O-CG2 3.46Å; I28-V32 PolarHBondContact O-N 3.37Å; P29-V32 PolarHBondContact O-N 3.06Å; P29-V32 VanDerWaalsContact O-N 3.16Å; V32-L34 VanDerWaalsContact C-N 3.3Å; V32-L34 PolarHBondContact O-N 2.89Å; V32-I35 PolarHBondContact O-N 3.02Å; V32-E36 WeakPolarHBondContact CG1-OE1 3.45Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.35Å; V32-E36 PolarHBondContact O-N 2.99Å; V32-E36 VanDerWaalsContact O-N 3.09Å; V32-I45 HydrophobicContact CB-CD1 3.87Å; V32-I45 HydrophobicContact CG1-CD1 3.54Å; V32-I187 HydrophobicContact CG2-CD1 4.4Å |
| 33 | S | 71.8 | Confident | 69.7 | Low | 25 Ų | 25 | 83.6 Ų | 83.6 | 18% | 0.175 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -56.9 | -41.2 | 174.4 | -64 | 0 | 0 | 0 | 0 | 112.2 | P29 E36 E37 E49 | P29-S33 WeakPolarHBondContact O-CB 3.32Å; P29-S33 PolarHBondContact O-N 3.46Å; P29-S33 PolarHBondContact O-OG 3.21Å; P29-S33 VanDerWaalsContact O-OG 3.06Å; S33-E36 PolarHBondContact O-N 2.72Å; S33-E37 PolarHBondContact O-N 3.06Å; S33-E37 VanDerWaalsContact O-N 3.12Å; S33-E49 PolarHBondContact OG-OE1 3.07Å |
| 34 | L | 72.8 | Confident | 68.2 | Low | 97 Ų | 97 | 82.4 Ų | 82.4 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 177.3 | -76.6 | 169.4 | 0 | 0 | 0 | 113.1 | L30 I31 V32 E36 | L30-L34 HydrophobicContact CG-CD1 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 VanDerWaalsContact O-CG 3.25Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.42Å; I31-L34 PolarHBondContact O-N 3.11Å; V32-L34 VanDerWaalsContact C-N 3.3Å; V32-L34 PolarHBondContact O-N 2.89Å; L34-E36 VanDerWaalsContact C-N 3.32Å |
| 35 | I | 72.8 | Confident | 66.9 | Low | 103 Ų | 103 | 79.3 Ų | 79.3 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.1 | -29.7 | -179.6 | -65.9 | 164 | 0 | 0 | 0 | 111.3 | I31 V32 | I31-I35 HydrophobicContact CG2-CD1 3.78Å; I31-I35 WeakPolarHBondContact O-CD1 3.45Å; I31-I35 VanDerWaalsContact O-CG1 3.28Å; I31-I35 WeakPolarHBondContact O-CG1 3.44Å; I31-I35 PolarHBondContact O-N 3.42Å; I31-I35 VanDerWaalsContact O-N 3.09Å; V32-I35 PolarHBondContact O-N 3.02Å |
| 36 | E | 68.4 | Low | 65.6 | Low | 48 Ų | 48 | 78.2 Ų | 78.2 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -83.5 | -25.7 | -178.9 | -82.1 | 151.8 | -168.9 | 0 | 0 | 113.5 | V32 S33 L34 D38 R39 S40 H184 | V32-E36 WeakPolarHBondContact CG1-OE1 3.45Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.35Å; V32-E36 PolarHBondContact O-N 2.99Å; V32-E36 VanDerWaalsContact O-N 3.09Å; S33-E36 PolarHBondContact O-N 2.72Å; L34-E36 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.43Å; E36-R39 PolarHBondContact O-N 3.05Å; E36-S40 PolarHBondContact O-N 3.22Å; E36-H184 IonicContact OE1-CE1 3.14Å; E36-H184 PolarHBondContact OE1-CE1 3.49Å; E36-H184 IonicContact OE1-ND1 3.91Å; E36-H184 IonicContact OE2-CE1 3.21Å; E36-H184 PolarHBondContact OE2-CE1 3.07Å; E36-H184 IonicContact OE2-ND1 3.77Å |
| 37 | E | 60.1 | Low | 64.8 | Low | 155 Ų | 155 | 78.2 Ų | 78.2 | 72% | 0.724 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -56 | -30.6 | 172.7 | -158.1 | 175 | 125.6 | 0 | 0 | 112.1 | S33 R39 | S33-E37 PolarHBondContact O-N 3.06Å; S33-E37 VanDerWaalsContact O-N 3.12Å; E37-R39 PolarHBondContact O-N 2.85Å |
| 38 | D | 53.1 | Low | 64.1 | Low | 131 Ų | 131 | 77.4 Ų | 77.4 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.2 | 178.2 | -47.8 | -14.2 | 0 | 0 | 0 | 113.9 | E36 | E36-D38 PolarHBondContact O-N 3.43Š|
| 39 | R | 52 | Low | 63.3 | Low | 232 Ų | 232 | 75 Ų | 75 | 88% | 0.875 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.6 | -22.5 | -167.5 | -72.4 | -170 | -179.9 | 174.8 | 2.1 | 116.3 | E36 E37 | E36-R39 PolarHBondContact O-N 3.05Å; E37-R39 PolarHBondContact O-N 2.85Å |
| 40 | S | 41.9 | Very low | 62.8 | Low | 94 Ų | 94 | 83.6 Ų | 83.6 | 66% | 0.657 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -160.1 | 115.1 | 178.4 | -141.3 | 0 | 0 | 0 | 0 | 114.6 | E36 | E36-S40 PolarHBondContact O-N 3.22Š|
| 41 | S | 38.7 | Very low | 62.5 | Low | 98 Ų | 98 | 85 Ų | 85 | 69% | 0.685 | 42% | 0.42 | S | S | * | . | trans | 30 | 89.2 | 145 | -176.8 | 0 | 0 | 0 | 0 | 118.9 | N43 | S41-N43 PolarHBondContact O-N 3.32Å; S41-N43 PolarHBondContact O-ND2 3.39Å | ||
| 42 | Q | 45.8 | Very low | 62.1 | Low | 184 Ų | 184 | 83.1 Ų | 83.1 | 86% | 0.86 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 43 | 42.1 | 138 | -65.4 | -155.8 | -20.9 | 0 | 0 | 120.5 | ||
| 43 | N | 50.3 | Low | 61.9 | Low | 130 Ų | 130 | 82 Ų | 82 | 70% | 0.695 | 40% | 0.402 | S | S | * | . | trans | -139.2 | 119.5 | 165.2 | -64.3 | -67.6 | 0 | 0 | 0 | 111.8 | S41 | S41-N43 PolarHBondContact O-N 3.32Å; S41-N43 PolarHBondContact O-ND2 3.39Å | ||
| 44 | P | 55.4 | Low | 61.8 | Low | 33 Ų | 33 | 80.9 Ų | 80.9 | 21% | 0.214 | 39% | 0.394 | C | S | . | . | trans | -65.1 | 157.8 | 172.3 | 27 | -31.4 | 0 | 0 | 0 | 111 | S46 L114 T123 | P44-S46 VanDerWaalsContact C-N 3.33Å; P44-S46 PolarHBondContact O-N 3.24Å; P44-L114 HydrophobicContact CG-CD1 4.14Å; P44-L114 WeakPolarHBondContact O-CD1 3.38Å; P44-T123 HydrophobicContact CG-CG2 3.57Å | ||
| 45 | I | 59.1 | Low | 61.7 | Low | 20 Ų | 20 | 79.7 Ų | 79.7 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -67.2 | -35.7 | -177.1 | -58.4 | 165.7 | 0 | 0 | 0 | 111.1 | V32 L114 | V32-I45 HydrophobicContact CB-CD1 3.87Å; V32-I45 HydrophobicContact CG1-CD1 3.54Å; I45-L114 PolarHBondContact O-N 3.01Å |
| 46 | S | 62.5 | Low | 61.7 | Low | 2 Ų | 2 | 78.7 Ų | 78.7 | 1% | 0.014 | 38% | 0.382 | C | S | . | . | trans | -154.2 | 146.1 | 174.8 | -166.9 | 0 | 0 | 0 | 0 | 112 | P44 F48 E49 H188 | P44-S46 VanDerWaalsContact C-N 3.33Å; P44-S46 PolarHBondContact O-N 3.24Å; S46-F48 PolarHBondContact O-N 3.07Å; S46-E49 WeakPolarHBondContact O-CB 3.46Å; S46-E49 PolarHBondContact O-N 3.42Å; S46-H188 PolarHBondContact OG-NE2 3.38Å | ||
| 47 | C | 69.5 | Low | 61.7 | Low | 7 Ų | 7 | 76.5 Ų | 76.5 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -61.2 | -30.4 | 173.2 | -77.4 | 0 | 0 | 0 | 0 | 114.1 | E49 W50 C126 | C47-E49 PolarHBondContact O-N 2.99Å; C47-W50 PolarHBondContact O-N 3.23Å; C47-C126 HydrophobicContact CB-CB 3.18Å; C47-C126 WeakPolarHBondContact CB-SG 3.35Å; C47-C126 WeakPolarHBondContact SG-CB 3.36Å; C47-C126 CovalentContact SG-SG 2.03Å; C47-C126 PolarHBondContact SG-SG 3.35Å |
| 48 | F | 68.7 | Low | 61.8 | Low | 13 Ų | 13 | 69.4 Ų | 69.4 | 6% | 0.057 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -75 | -9.6 | -174.9 | -60.7 | -75.6 | 0 | 0 | 0 | 113.1 | S46 W50 W51 I104 Q107 A108 E111 F192 | S46-F48 PolarHBondContact O-N 3.07Å; F48-W50 VanDerWaalsContact C-N 3.34Å; F48-W51 PolarHBondContact O-N 3.4Å; F48-I104 HydrophobicContact CB-CG2 4.33Å; F48-I104 HydrophobicContact CD1-CG2 4.5Å; F48-Q107 HydrophobicContact CE1-CB 4.17Å; F48-Q107 HydrophobicContact CE1-CG 3.6Å; F48-Q107 HydrophobicContact CZ-CB 4.39Å; F48-Q107 HydrophobicContact CZ-CG 3.57Å; F48-A108 HydrophobicContact CB-CB 3.85Å; F48-A108 HydrophobicContact CD2-CB 3.77Å; F48-A108 HydrophobicContact CG-CB 3.86Å; F48-E111 HydrophobicContact CE2-CB 3.79Å; F48-E111 HydrophobicContact CE2-CG 4.18Å; F48-E111 HydrophobicContact CZ-CB 4.38Å; F48-F192 HydrophobicContact CB-CE1 4.26Å; F48-F192 HydrophobicContact CB-CZ 4.15Å |
| 49 | E | 69.6 | Low | 62.1 | Low | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.065 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -65.8 | -37 | 175.6 | -166.5 | 166.4 | 150.5 | 0 | 0 | 112.2 | P29 L30 S33 S46 C47 W51 F52 | P29-E49 HydrophobicContact CB-CG 3.9Å; P29-E49 WeakPolarHBondContact CB-OE1 3.24Å; P29-E49 WeakPolarHBondContact CB-OE2 3.49Å; L30-E49 WeakPolarHBondContact CA-OE1 3.21Å; L30-E49 PolarHBondContact N-OE1 2.9Å; S33-E49 PolarHBondContact OG-OE1 3.07Å; S46-E49 WeakPolarHBondContact O-CB 3.46Å; S46-E49 PolarHBondContact O-N 3.42Å; C47-E49 PolarHBondContact O-N 2.99Å; E49-W51 PolarHBondContact O-N 2.99Å; E49-F52 PolarHBondContact O-N 2.93Å; E49-F52 VanDerWaalsContact O-N 3.1Å |
| 50 | W | 68.4 | Low | 62.3 | Low | 188 Ų | 188 | 58.9 Ų | 58.9 | 71% | 0.712 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -70 | -16 | 176.9 | -92.7 | 82.6 | 0 | 0 | 0 | 114.1 | C47 F48 F52 | C47-W50 PolarHBondContact O-N 3.23Å; F48-W50 VanDerWaalsContact C-N 3.34Å; W50-F52 WeakPolarHBondContact O-CD2 3.44Å; W50-F52 WeakPolarHBondContact O-CE2 3.46Å |
| 51 | W | 71.2 | Confident | 63 | Low | 96 Ų | 96 | 58.6 Ų | 58.6 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -84.2 | -1 | 173.7 | -76.5 | 91.3 | 0 | 0 | 0 | 113 | F48 E49 P53 Y100 I104 F128 | F48-W51 PolarHBondContact O-N 3.4Å; E49-W51 PolarHBondContact O-N 2.99Å; W51-P53 VanDerWaalsContact C-N 3.32Å; W51-P53 VanDerWaalsContact O-N 3.1Å; W51-Y100 VanDerWaalsContact CE3-OH 3.28Å; W51-Y100 PolarHBondContact O-OH 3.45Å; W51-I104 HydrophobicContact CB-CD1 4.31Å; W51-I104 HydrophobicContact CB-CG2 4.45Å; W51-I104 HydrophobicContact CG-CD1 4.47Å; W51-F128 HydrophobicContact CD2-CB 4.35Å; W51-F128 HydrophobicContact CH2-CB 4.02Å; W51-F128 HydrophobicContact CH2-CD1 4.46Å; W51-F128 HydrophobicContact CZ2-CB 3.6Å; W51-F128 HydrophobicContact CZ3-CD1 4.5Å |
| 52 | F | 73.5 | Confident | 63.8 | Low | 53 Ų | 53 | 54.3 Ų | 54.3 | 23% | 0.232 | 27% | 0.265 | C | S | . | . | trans | 34.4 | 57.3 | 175.3 | -63.7 | -81.9 | 0 | 0 | 0 | 113.4 | N26 L30 E49 W50 G54 I55 I56 | N26-F52 WeakPolarHBondContact ND2-CD1 2.99Å; N26-F52 VanDerWaalsContact OD1-C 3.3Å; L30-F52 HydrophobicContact CD1-CE1 4.2Å; L30-F52 HydrophobicContact CD1-CZ 4.48Å; L30-F52 HydrophobicContact CD2-CE1 4.44Å; E49-F52 PolarHBondContact O-N 2.93Å; E49-F52 VanDerWaalsContact O-N 3.1Å; W50-F52 WeakPolarHBondContact O-CD2 3.44Å; W50-F52 WeakPolarHBondContact O-CE2 3.46Å; F52-G54 PolarHBondContact O-N 3.5Å; F52-G54 VanDerWaalsContact O-N 3.11Å; F52-I55 HydrophobicContact CB-CB 4.14Å; F52-I55 HydrophobicContact CD1-CD1 3.92Å; F52-I55 PolarHBondContact O-N 2.81Å; F52-I56 HydrophobicContact CB-CD1 4.1Å; F52-I56 HydrophobicContact CB-CG1 4.07Å; F52-I56 PolarHBondContact O-N 2.95Å | ||
| 53 | P | 75.4 | Confident | 64.4 | Low | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -55.2 | -35.8 | -172.1 | 21.2 | -33.6 | 0 | 0 | 0 | 113 | N26 W51 G57 I104 L195 | N26-P53 WeakPolarHBondContact OD1-CD 3.22Å; W51-P53 VanDerWaalsContact C-N 3.32Å; W51-P53 VanDerWaalsContact O-N 3.1Å; P53-G57 WeakPolarHBondContact O-CA 3.18Å; P53-G57 PolarHBondContact O-N 3.39Å; P53-I104 HydrophobicContact CB-CB 3.9Å; P53-I104 HydrophobicContact CB-CG2 3.71Å; P53-I104 HydrophobicContact CG-CB 4.5Å; P53-I104 HydrophobicContact CG-CG2 3.79Å; P53-L195 HydrophobicContact CG-CD1 4.16Å |
| 54 | G | 68.2 | Low | 64.6 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -76.6 | -32.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N26 F52 A58 G59 | N26-G54 PolarHBondContact OD1-N 3.38Å; F52-G54 PolarHBondContact O-N 3.5Å; F52-G54 VanDerWaalsContact O-N 3.11Å; G54-A58 CarbonylContact O-C 3.59Å; G54-A58 VanDerWaalsContact O-CA 3.32Å; G54-A58 WeakPolarHBondContact O-CA 3.4Å; G54-A58 WeakPolarHBondContact O-CB 3.29Å; G54-A58 PolarHBondContact O-N 3.38Å; G54-A58 VanDerWaalsContact O-N 3.09Å; G54-G59 PolarHBondContact O-N 2.95Å |
| 55 | I | 71.2 | Confident | 64.5 | Low | 72 Ų | 72 | 45.6 Ų | 45.6 | 37% | 0.369 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -85.9 | -41.7 | -178.8 | -58.4 | 175.3 | 0 | 0 | 0 | 111 | N26 F52 G59 L60 | N26-I55 HydrophobicContact CB-CG1 4.47Å; F52-I55 HydrophobicContact CB-CB 4.14Å; F52-I55 HydrophobicContact CD1-CD1 3.92Å; F52-I55 PolarHBondContact O-N 2.81Å; I55-G59 CarbonylContact O-C 3.58Å; I55-G59 WeakPolarHBondContact O-CA 3.49Å; I55-G59 PolarHBondContact O-N 2.88Å; I55-L60 PolarHBondContact O-N 3.04Å |
| 56 | I | 72.8 | Confident | 64.3 | Low | 82 Ų | 82 | 46 Ų | 46 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -79.6 | -43.6 | 179 | -63 | 176.4 | 0 | 0 | 0 | 110.4 | F52 Y100 | F52-I56 HydrophobicContact CB-CD1 4.1Å; F52-I56 HydrophobicContact CB-CG1 4.07Å; F52-I56 PolarHBondContact O-N 2.95Å; I56-Y100 HydrophobicContact CB-CE1 4.39Å; I56-Y100 HydrophobicContact CG2-CE1 4.14Å |
| 57 | G | 67.4 | Low | 64 | Low | 3 Ų | 3 | 49.5 Ų | 49.5 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -74.1 | -46 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P53 G97 | P53-G57 WeakPolarHBondContact O-CA 3.18Å; P53-G57 PolarHBondContact O-N 3.39Å; G57-G97 WeakPolarHBondContact CA-O 2.99Å; G57-G97 CarbonylContact O-C 3.41Å; G57-G97 WeakPolarHBondContact O-CA 3.15Å |
| 58 | A | 62.3 | Low | 63.2 | Low | 5 Ų | 5 | 51.4 Ų | 51.4 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -99.2 | -45.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L19 G54 A62 | L19-A58 HydrophobicContact CD2-CB 3.77Å; L19-A58 WeakPolarHBondContact CD2-O 3.14Å; G54-A58 CarbonylContact O-C 3.59Å; G54-A58 VanDerWaalsContact O-CA 3.32Å; G54-A58 WeakPolarHBondContact O-CA 3.4Å; G54-A58 WeakPolarHBondContact O-CB 3.29Å; G54-A58 PolarHBondContact O-N 3.38Å; G54-A58 VanDerWaalsContact O-N 3.09Å; A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 2.85Å |
| 59 | G | 59.4 | Low | 62.4 | Low | 19 Ų | 19 | 53.4 Ų | 53.4 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -74.3 | -52.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | G54 I55 M61 A62 | G54-G59 PolarHBondContact O-N 2.95Å; I55-G59 CarbonylContact O-C 3.58Å; I55-G59 WeakPolarHBondContact O-CA 3.49Å; I55-G59 PolarHBondContact O-N 2.88Å; G59-M61 VanDerWaalsContact C-N 3.31Å; G59-M61 PolarHBondContact O-N 3.36Å; G59-A62 PolarHBondContact O-N 3.08Å |
| 60 | L | 56.2 | Low | 61.6 | Low | 124 Ų | 124 | 58 Ų | 58 | 65% | 0.649 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -73 | -26.6 | -173.5 | -162.9 | 68.8 | 0 | 0 | 0 | 112.5 | I55 | I55-L60 PolarHBondContact O-N 3.04Å |
| 61 | M | 57.7 | Low | 60.4 | Low | 88 Ų | 88 | 53.3 Ų | 53.3 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -91.5 | -12.6 | 179.5 | -70.1 | -65.9 | -170.2 | 0 | 0 | 113.6 | G59 P64 I93 | G59-M61 VanDerWaalsContact C-N 3.31Å; G59-M61 PolarHBondContact O-N 3.36Å; M61-P64 WeakPolarHBondContact O-CD 3.46Å; M61-I93 HydrophobicContact CB-CG2 3.83Å; M61-I93 HydrophobicContact CE-CG2 4.38Å; M61-I93 HydrophobicContact CG-CG2 3.86Å; M61-I93 HydrophobicContact SD-CG2 3.22Å; M61-I93 WeakPolarHBondContact SD-CG2 3.4Å |
| 62 | A | 56 | Low | 59.2 | Low | 8 Ų | 8 | 51.1 Ų | 51.1 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -88.7 | -20 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L19 A58 G59 P64 A65 T66 | L19-A62 HydrophobicContact CD1-CB 3.5Å; L19-A62 VanDerWaalsContact CD1-CB 3.5Å; L19-A62 HydrophobicContact CD2-CB 3.62Å; L19-A62 HydrophobicContact CG-CB 4.11Å; A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 2.85Å; G59-A62 PolarHBondContact O-N 3.08Å; A62-P64 VanDerWaalsContact C-CD 3.47Å; A62-P64 VanDerWaalsContact C-N 3.32Å; A62-A65 PolarHBondContact O-N 3.2Å; A62-A65 VanDerWaalsContact O-N 3.15Å; A62-T66 WeakPolarHBondContact O-CB 3.43Å; A62-T66 WeakPolarHBondContact O-CG2 3.45Å; A62-T66 PolarHBondContact O-N 3.32Å; A62-T66 PolarHBondContact O-OG1 3.23Å |
| 63 | I | 58.4 | Low | 57.9 | Low | 100 Ų | 100 | 56.5 Ų | 56.5 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.7 | -43.7 | 178.1 | -62.1 | 169.5 | 0 | 0 | 0 | 111.3 | T66 T67 | I63-T66 PolarHBondContact O-OG1 3.44Å; I63-T67 HydrophobicContact CG2-CG2 4.32Å; I63-T67 VanDerWaalsContact O-CB 3.3Å; I63-T67 WeakPolarHBondContact O-CB 3.46Å; I63-T67 VanDerWaalsContact O-CG2 3.22Å; I63-T67 WeakPolarHBondContact O-CG2 3.35Å; I63-T67 PolarHBondContact O-N 2.95Å; I63-T67 PolarHBondContact O-OG1 3.32Å |
| 64 | P | 53.7 | Low | 56.1 | Low | 43 Ų | 43 | 65.9 Ų | 65.9 | 28% | 0.279 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 176.9 | -18.9 | 33.7 | 0 | 0 | 0 | 113.4 | M61 A62 T67 M68 F90 | M61-P64 WeakPolarHBondContact O-CD 3.46Å; A62-P64 VanDerWaalsContact C-CD 3.47Å; A62-P64 VanDerWaalsContact C-N 3.32Å; P64-T67 WeakPolarHBondContact CA-OG1 3.33Å; P64-T67 PolarHBondContact O-OG1 3.07Å; P64-M68 WeakPolarHBondContact O-CB 3.11Å; P64-M68 PolarHBondContact O-N 2.93Å; P64-M68 VanDerWaalsContact O-N 3.16Å; P64-F90 HydrophobicContact CB-CD1 3.34Å; P64-F90 HydrophobicContact CB-CD2 4.35Å; P64-F90 HydrophobicContact CB-CE1 3.02Å; P64-F90 HydrophobicContact CB-CE2 4.07Å; P64-F90 HydrophobicContact CB-CG 4.03Å; P64-F90 HydrophobicContact CB-CZ 3.43Å; P64-F90 VanDerWaalsContact CB-CZ 3.43Å; P64-F90 HydrophobicContact CG-CD1 4.33Å; P64-F90 HydrophobicContact CG-CE1 4.03Å |
| 65 | A | 53.2 | Low | 54.7 | Low | 20 Ų | 20 | 75.4 Ų | 75.4 | 17% | 0.165 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.6 | -50.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | A62 M68 S69 F90 | A62-A65 PolarHBondContact O-N 3.2Å; A62-A65 VanDerWaalsContact O-N 3.15Å; A65-M68 WeakPolarHBondContact O-CB 3.03Å; A65-M68 PolarHBondContact O-N 3Å; A65-S69 PolarHBondContact O-N 3.3Å; A65-S69 PolarHBondContact O-OG 2.85Å; A65-F90 HydrophobicContact CB-CB 3.97Å |
| 66 | T | 55.3 | Low | 53.3 | Low | 30 Ų | 30 | 77.1 Ų | 77.1 | 18% | 0.184 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69 | -40.8 | -178.4 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | L16 L19 A62 I63 M68 S69 L70 | L16-T66 HydrophobicContact CD1-CG2 3.49Å; L16-T66 VanDerWaalsContact CD1-CG2 3.49Å; L19-T66 HydrophobicContact CD1-CG2 4.19Å; A62-T66 WeakPolarHBondContact O-CB 3.43Å; A62-T66 WeakPolarHBondContact O-CG2 3.45Å; A62-T66 PolarHBondContact O-N 3.32Å; A62-T66 PolarHBondContact O-OG1 3.23Å; I63-T66 PolarHBondContact O-OG1 3.44Å; T66-M68 PolarHBondContact O-N 2.93Å; T66-S69 PolarHBondContact O-N 3.15Å; T66-L70 WeakPolarHBondContact O-CB 3.4Å; T66-L70 WeakPolarHBondContact O-CD1 3.32Å; T66-L70 PolarHBondContact O-N 3.39Å |
| 67 | T | 55.2 | Low | 51.9 | Low | 75 Ų | 75 | 78.1 Ų | 78.1 | 46% | 0.46 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.8 | -30.8 | 173.4 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | I63 P64 T71 | I63-T67 HydrophobicContact CG2-CG2 4.32Å; I63-T67 VanDerWaalsContact O-CB 3.3Å; I63-T67 WeakPolarHBondContact O-CB 3.46Å; I63-T67 VanDerWaalsContact O-CG2 3.22Å; I63-T67 WeakPolarHBondContact O-CG2 3.35Å; I63-T67 PolarHBondContact O-N 2.95Å; I63-T67 PolarHBondContact O-OG1 3.32Å; P64-T67 WeakPolarHBondContact CA-OG1 3.33Å; P64-T67 PolarHBondContact O-OG1 3.07Å; T67-T71 WeakPolarHBondContact O-CB 3.46Å; T67-T71 WeakPolarHBondContact O-CG2 3.31Å; T67-T71 PolarHBondContact O-N 2.98Å; T67-T71 PolarHBondContact O-OG1 2.74Å |
| 68 | M | 53.3 | Low | 50.8 | Low | 47 Ų | 47 | 82.6 Ų | 82.6 | 23% | 0.232 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -73.7 | -43.5 | 171.3 | -102.8 | -155.7 | 174.5 | 0 | 0 | 115 | P64 A65 T66 L70 T71 A72 L86 F90 | P64-M68 WeakPolarHBondContact O-CB 3.11Å; P64-M68 PolarHBondContact O-N 2.93Å; P64-M68 VanDerWaalsContact O-N 3.16Å; A65-M68 WeakPolarHBondContact O-CB 3.03Å; A65-M68 PolarHBondContact O-N 3Å; T66-M68 PolarHBondContact O-N 2.93Å; M68-L70 VanDerWaalsContact C-N 3.31Å; M68-L70 PolarHBondContact O-N 2.89Å; M68-T71 WeakPolarHBondContact CA-OG1 3.42Å; M68-T71 PolarHBondContact O-N 3.13Å; M68-T71 PolarHBondContact O-OG1 3.15Å; M68-A72 VanDerWaalsContact O-CB 3.29Å; M68-A72 WeakPolarHBondContact O-CB 3.4Å; M68-A72 PolarHBondContact O-N 3.44Å; M68-L86 HydrophobicContact CE-CB 3.13Å; M68-L86 HydrophobicContact CE-CD1 3.21Å; M68-L86 HydrophobicContact CE-CG 3.72Å; M68-L86 HydrophobicContact SD-CB 3.24Å; M68-L86 WeakPolarHBondContact SD-CB 3.33Å; M68-L86 HydrophobicContact SD-CD1 4.48Å; M68-L86 HydrophobicContact SD-CG 4.42Å; M68-F90 HydrophobicContact CB-CD2 4.23Å; M68-F90 HydrophobicContact CB-CE2 4.35Å; M68-F90 HydrophobicContact CE-CE2 4.14Å; M68-F90 HydrophobicContact CG-CD2 4.14Å; M68-F90 HydrophobicContact CG-CE2 3.85Å; M68-F90 HydrophobicContact SD-CD2 3.74Å; M68-F90 HydrophobicContact SD-CE2 3.53Å; M68-F90 VanDerWaalsContact SD-CE2 3.53Å |
| 69 | S | 52.3 | Low | 50.1 | Low | 54 Ų | 54 | 89.9 Ų | 89.9 | 38% | 0.378 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 177.5 | -6.8 | 0 | 0 | 0 | 0 | 111.6 | A65 T66 R73 | A65-S69 PolarHBondContact O-N 3.3Å; A65-S69 PolarHBondContact O-OG 2.85Å; T66-S69 PolarHBondContact O-N 3.15Å; S69-R73 WeakPolarHBondContact O-CG 3.37Å; S69-R73 PolarHBondContact O-N 3.18Å |
| 70 | L | 51.4 | Low | 49.8 | Very low | 110 Ų | 110 | 94.1 Ų | 94.1 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.4 | -36 | 177.1 | -88 | 111.4 | 0 | 0 | 0 | 113 | T66 M68 R73 K74 | T66-L70 WeakPolarHBondContact O-CB 3.4Å; T66-L70 WeakPolarHBondContact O-CD1 3.32Å; T66-L70 PolarHBondContact O-N 3.39Å; M68-L70 VanDerWaalsContact C-N 3.31Å; M68-L70 PolarHBondContact O-N 2.89Å; L70-R73 PolarHBondContact O-N 3.16Å; L70-K74 PolarHBondContact O-N 2.69Å |
| 71 | T | 44.8 | Very low | 49.8 | Very low | 90 Ų | 90 | 98.2 Ų | 98.2 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.5 | -29.2 | 174.3 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | T67 M68 R75 | T67-T71 WeakPolarHBondContact O-CB 3.46Å; T67-T71 WeakPolarHBondContact O-CG2 3.31Å; T67-T71 PolarHBondContact O-N 2.98Å; T67-T71 PolarHBondContact O-OG1 2.74Å; M68-T71 WeakPolarHBondContact CA-OG1 3.42Å; M68-T71 PolarHBondContact O-N 3.13Å; M68-T71 PolarHBondContact O-OG1 3.15Å; T71-R75 PolarHBondContact O-N 2.92Å |
| 72 | A | 45 | Very low | 49.8 | Very low | 50 Ų | 50 | 97.6 Ų | 97.6 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.7 | -28.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M68 | M68-A72 VanDerWaalsContact O-CB 3.29Å; M68-A72 WeakPolarHBondContact O-CB 3.4Å; M68-A72 PolarHBondContact O-N 3.44Å |
| 73 | R | 46.1 | Very low | 50 | Low | 166 Ų | 166 | 98.7 Ų | 98.7 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -81.1 | -32.6 | 175.4 | -68.3 | -149.9 | -159.4 | -167.4 | 6.4 | 114.1 | S69 L70 | S69-R73 WeakPolarHBondContact O-CG 3.37Å; S69-R73 PolarHBondContact O-N 3.18Å; L70-R73 PolarHBondContact O-N 3.16Å |
| 74 | K | 38.7 | Very low | 50.1 | Low | 198 Ų | 198 | 98.2 Ų | 98.2 | 86% | 0.861 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -81.2 | -16.3 | 179.4 | -93.8 | -171.8 | 177.9 | -178.2 | 0 | 114.4 | L70 | L70-K74 PolarHBondContact O-N 2.69Å |
| 75 | R | 39 | Very low | 50.5 | Low | 200 Ų | 200 | 102.2 Ų | 102.2 | 76% | 0.755 | 55% | 0.545 | S | S | * | . | trans | -129.6 | 112.2 | 167.9 | -76.4 | -178.3 | -178 | 146.1 | 0 | 108.7 | T71 C77 | T71-R75 PolarHBondContact O-N 2.92Å; R75-C77 PolarHBondContact O-N 3.35Å | ||
| 76 | A | 41.8 | Very low | 51.1 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 88% | 0.884 | 55% | 0.55 | S | S | * | * | trans | -65.5 | 45 | 168 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 77 | C | 41.5 | Very low | 51.6 | Low | 104 Ų | 104 | 104.6 Ų | 104.6 | 70% | 0.703 | 56% | 0.557 | S | S | * | * | trans | -128.5 | 59.1 | -178.8 | -82.5 | 0 | 0 | 0 | 0 | 111 | R75 N79 | R75-C77 PolarHBondContact O-N 3.35Å; C77-N79 PolarHBondContact O-N 3.01Å; C77-N79 VanDerWaalsContact O-N 3.11Å | ||
| 78 | C | 45.5 | Very low | 52.3 | Low | 96 Ų | 96 | 102.7 Ų | 102.7 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | trans | -74.6 | 72.2 | 149.9 | -80.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 79 | N | 46.5 | Very low | 53.2 | Low | 159 Ų | 159 | 104 Ų | 104 | 85% | 0.85 | 55% | 0.554 | S | S | * | * | trans | -129.3 | 19 | 166.3 | -162.4 | 36.1 | 0 | 0 | 0 | 112.4 | C77 | C77-N79 PolarHBondContact O-N 3.01Å; C77-N79 VanDerWaalsContact O-N 3.11Å | ||
| 80 | N | 53.1 | Low | 54.3 | Low | 108 Ų | 108 | 103.2 Ų | 103.2 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -123.3 | 135.5 | 172.3 | -168.2 | 29.3 | 0 | 0 | 0 | 111.2 | T82 G83 | N80-T82 PolarHBondContact ND2-OG1 3.15Å; N80-T82 VanDerWaalsContact ND2-OG1 3.11Å; N80-T82 PolarHBondContact O-N 3.46Å; N80-G83 PolarHBondContact O-N 2.8Å; N80-G83 VanDerWaalsContact O-N 3.09Å |
| 81 | R | 57.2 | Low | 55.5 | Low | 209 Ų | 209 | 98.1 Ų | 98.1 | 79% | 0.789 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.8 | -29.6 | -174.2 | -157.2 | 175.6 | -169 | 173.3 | 1.4 | 113.1 | F85 | R81-F85 PolarHBondContact O-N 3.34Å |
| 82 | T | 57.4 | Low | 57.3 | Low | 75 Ų | 75 | 96.8 Ų | 96.8 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -34 | -178.3 | -33.7 | 0 | 0 | 0 | 0 | 113.2 | N80 L86 | N80-T82 PolarHBondContact ND2-OG1 3.15Å; N80-T82 VanDerWaalsContact ND2-OG1 3.11Å; N80-T82 PolarHBondContact O-N 3.46Å; T82-L86 HydrophobicContact CG2-CD1 3.87Å; T82-L86 WeakPolarHBondContact O-CB 3.39Å; T82-L86 WeakPolarHBondContact O-CD1 3.34Å; T82-L86 WeakPolarHBondContact O-CG 3.45Å; T82-L86 PolarHBondContact O-N 3.06Å |
| 83 | G | 59.4 | Low | 59 | Low | 31 Ų | 31 | 97.1 Ų | 97.1 | 32% | 0.32 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.7 | -38.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N80 S87 | N80-G83 PolarHBondContact O-N 2.8Å; N80-G83 VanDerWaalsContact O-N 3.09Å; G83-S87 PolarHBondContact O-N 3.4Å |
| 84 | M | 60.3 | Low | 60.5 | Low | 90 Ų | 90 | 89.7 Ų | 89.7 | 44% | 0.443 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.2 | -36.3 | 176.3 | -66.5 | -170.5 | -61.4 | 0 | 0 | 112.2 | S88 | M84-S88 PolarHBondContact O-N 3.38Å |
| 85 | F | 63.3 | Low | 62.8 | Low | 128 Ų | 128 | 81.3 Ų | 81.3 | 56% | 0.561 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.8 | -44.4 | 179.3 | -176.7 | -108.8 | 0 | 0 | 0 | 112.5 | R81 S87 S88 L89 | R81-F85 PolarHBondContact O-N 3.34Å; F85-S87 PolarHBondContact O-N 3.49Å; F85-S88 WeakPolarHBondContact O-CB 3.46Å; F85-S88 PolarHBondContact O-N 2.96Å; F85-L89 HydrophobicContact CD1-CD1 3.76Å; F85-L89 HydrophobicContact CD1-CG 4.31Å; F85-L89 HydrophobicContact CE1-CD1 3.28Å; F85-L89 HydrophobicContact CE1-CG 3.97Å; F85-L89 HydrophobicContact CZ-CD1 3.82Å; F85-L89 HydrophobicContact CZ-CD2 4.22Å; F85-L89 HydrophobicContact CZ-CG 4.11Å; F85-L89 PolarHBondContact O-N 3.46Å |
| 86 | L | 65.1 | Low | 65.1 | Low | 53 Ų | 53 | 77 Ų | 77 | 28% | 0.277 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.5 | -32.8 | -178.3 | -72.6 | 166.3 | 0 | 0 | 0 | 112.4 | M68 T82 S88 L89 F90 | M68-L86 HydrophobicContact CE-CB 3.13Å; M68-L86 HydrophobicContact CE-CD1 3.21Å; M68-L86 HydrophobicContact CE-CG 3.72Å; M68-L86 HydrophobicContact SD-CB 3.24Å; M68-L86 WeakPolarHBondContact SD-CB 3.33Å; M68-L86 HydrophobicContact SD-CD1 4.48Å; M68-L86 HydrophobicContact SD-CG 4.42Å; T82-L86 HydrophobicContact CG2-CD1 3.87Å; T82-L86 WeakPolarHBondContact O-CB 3.39Å; T82-L86 WeakPolarHBondContact O-CD1 3.34Å; T82-L86 WeakPolarHBondContact O-CG 3.45Å; T82-L86 PolarHBondContact O-N 3.06Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 2.91Å; L86-L89 HydrophobicContact CD2-CD1 4.32Å; L86-L89 PolarHBondContact O-N 3.17Å; L86-F90 HydrophobicContact CB-CD2 4.46Å; L86-F90 HydrophobicContact CB-CE2 4.08Å; L86-F90 HydrophobicContact CD2-CE2 4.49Å; L86-F90 HydrophobicContact CD2-CZ 4.48Å; L86-F90 WeakPolarHBondContact O-CD2 3.32Å; L86-F90 WeakPolarHBondContact O-CG 3.13Å; L86-F90 PolarHBondContact O-N 3.36Å |
| 87 | S | 66.8 | Low | 67.2 | Low | 47 Ų | 47 | 72.2 Ų | 72.2 | 33% | 0.329 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 170.8 | -178 | 0 | 0 | 0 | 0 | 112.4 | G83 F85 S91 Q209 | G83-S87 PolarHBondContact O-N 3.4Å; F85-S87 PolarHBondContact O-N 3.49Å; S87-S91 PolarHBondContact O-N 3.07Å; S87-Q209 PolarHBondContact OG-NE2 3.22Å; S87-Q209 VanDerWaalsContact OG-NE2 3.13Å |
| 88 | S | 70.4 | Confident | 69.4 | Low | 35 Ų | 35 | 67.2 Ų | 67.2 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 176.3 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | M84 F85 L86 S91 V92 | M84-S88 PolarHBondContact O-N 3.38Å; F85-S88 WeakPolarHBondContact O-CB 3.46Å; F85-S88 PolarHBondContact O-N 2.96Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 2.91Å; S88-S91 PolarHBondContact O-N 3.49Å; S88-V92 PolarHBondContact O-N 3.5Å |
| 89 | L | 72.2 | Confident | 71.5 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 38% | 0.382 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 178.4 | -74.1 | -179.8 | 0 | 0 | 0 | 112 | F85 L86 S91 V92 I93 | F85-L89 HydrophobicContact CD1-CD1 3.76Å; F85-L89 HydrophobicContact CD1-CG 4.31Å; F85-L89 HydrophobicContact CE1-CD1 3.28Å; F85-L89 HydrophobicContact CE1-CG 3.97Å; F85-L89 HydrophobicContact CZ-CD1 3.82Å; F85-L89 HydrophobicContact CZ-CD2 4.22Å; F85-L89 HydrophobicContact CZ-CG 4.11Å; F85-L89 PolarHBondContact O-N 3.46Å; L86-L89 HydrophobicContact CD2-CD1 4.32Å; L86-L89 PolarHBondContact O-N 3.17Å; L89-S91 VanDerWaalsContact C-N 3.25Å; L89-S91 PolarHBondContact O-N 2.9Å; L89-V92 PolarHBondContact O-N 3.36Å; L89-I93 WeakPolarHBondContact O-CG1 3.32Å; L89-I93 PolarHBondContact O-N 3.37Å; L89-I93 VanDerWaalsContact O-N 3.16Å |
| 90 | F | 73.8 | Confident | 73.4 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -33.7 | 177.9 | -67 | -45.1 | 0 | 0 | 0 | 112.3 | P64 A65 M68 L86 I93 T94 | P64-F90 HydrophobicContact CB-CD1 3.34Å; P64-F90 HydrophobicContact CB-CD2 4.35Å; P64-F90 HydrophobicContact CB-CE1 3.02Å; P64-F90 HydrophobicContact CB-CE2 4.07Å; P64-F90 HydrophobicContact CB-CG 4.03Å; P64-F90 HydrophobicContact CB-CZ 3.43Å; P64-F90 VanDerWaalsContact CB-CZ 3.43Å; P64-F90 HydrophobicContact CG-CD1 4.33Å; P64-F90 HydrophobicContact CG-CE1 4.03Å; A65-F90 HydrophobicContact CB-CB 3.97Å; M68-F90 HydrophobicContact CB-CD2 4.23Å; M68-F90 HydrophobicContact CB-CE2 4.35Å; M68-F90 HydrophobicContact CE-CE2 4.14Å; M68-F90 HydrophobicContact CG-CD2 4.14Å; M68-F90 HydrophobicContact CG-CE2 3.85Å; M68-F90 HydrophobicContact SD-CD2 3.74Å; M68-F90 HydrophobicContact SD-CE2 3.53Å; M68-F90 VanDerWaalsContact SD-CE2 3.53Å; L86-F90 HydrophobicContact CB-CD2 4.46Å; L86-F90 HydrophobicContact CB-CE2 4.08Å; L86-F90 HydrophobicContact CD2-CE2 4.49Å; L86-F90 HydrophobicContact CD2-CZ 4.48Å; L86-F90 WeakPolarHBondContact O-CD2 3.32Å; L86-F90 WeakPolarHBondContact O-CG 3.13Å; L86-F90 PolarHBondContact O-N 3.36Å; F90-I93 HydrophobicContact CD1-CD1 4.17Å; F90-I93 PolarHBondContact O-N 3.32Å; F90-T94 PolarHBondContact O-N 3.5Å; F90-T94 PolarHBondContact O-OG1 3.29Å |
| 91 | S | 77.1 | Confident | 75.1 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 174.5 | -167.7 | 0 | 0 | 0 | 0 | 113.1 | S87 S88 L89 I93 T94 V95 G206 I210 | S87-S91 PolarHBondContact O-N 3.07Å; S88-S91 PolarHBondContact O-N 3.49Å; L89-S91 VanDerWaalsContact C-N 3.25Å; L89-S91 PolarHBondContact O-N 2.9Å; S91-I93 VanDerWaalsContact C-N 3.34Å; S91-I93 PolarHBondContact O-N 3.38Å; S91-T94 PolarHBondContact O-N 3.03Å; S91-V95 WeakPolarHBondContact O-CG2 3.45Å; S91-V95 PolarHBondContact O-N 3Å; S91-G206 PolarHBondContact OG-O 2.83Å; S91-I210 WeakPolarHBondContact OG-CG1 3.28Å |
| 92 | V | 82.5 | Confident | 76.7 | Confident | 62 Ų | 62 | 47 Ų | 47 | 38% | 0.376 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | S88 L89 T94 V95 I96 I210 | S88-V92 PolarHBondContact O-N 3.5Å; L89-V92 PolarHBondContact O-N 3.36Å; V92-T94 VanDerWaalsContact C-N 3.35Å; V92-V95 PolarHBondContact O-N 2.92Å; V92-I96 HydrophobicContact CG1-CD1 4.06Å; V92-I96 WeakPolarHBondContact O-CG1 3.49Å; V92-I96 PolarHBondContact O-N 3.15Å; V92-I210 HydrophobicContact CG2-CD1 3.82Å; V92-I210 HydrophobicContact CG2-CG1 4.34Å |
| 93 | I | 80.4 | Confident | 78.1 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 29% | 0.292 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 177.9 | -62.8 | 171 | 0 | 0 | 0 | 110.5 | M61 L89 F90 S91 V95 I96 G97 | M61-I93 HydrophobicContact CB-CG2 3.83Å; M61-I93 HydrophobicContact CE-CG2 4.38Å; M61-I93 HydrophobicContact CG-CG2 3.86Å; M61-I93 HydrophobicContact SD-CG2 3.22Å; M61-I93 WeakPolarHBondContact SD-CG2 3.4Å; L89-I93 WeakPolarHBondContact O-CG1 3.32Å; L89-I93 PolarHBondContact O-N 3.37Å; L89-I93 VanDerWaalsContact O-N 3.16Å; F90-I93 HydrophobicContact CD1-CD1 4.17Å; F90-I93 PolarHBondContact O-N 3.32Å; S91-I93 VanDerWaalsContact C-N 3.34Å; S91-I93 PolarHBondContact O-N 3.38Å; I93-V95 VanDerWaalsContact C-N 3.32Å; I93-V95 PolarHBondContact O-N 2.91Å; I93-I96 PolarHBondContact O-N 2.93Å; I93-G97 PolarHBondContact O-N 3.46Å |
| 94 | T | 79.6 | Confident | 79.3 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 173.8 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | L15 F90 S91 V92 G97 A98 | L15-T94 HydrophobicContact CD2-CG2 4.45Å; F90-T94 PolarHBondContact O-N 3.5Å; F90-T94 PolarHBondContact O-OG1 3.29Å; S91-T94 PolarHBondContact O-N 3.03Å; V92-T94 VanDerWaalsContact C-N 3.35Å; T94-G97 PolarHBondContact O-N 3.27Å; T94-A98 WeakPolarHBondContact O-CB 3.5Å; T94-A98 PolarHBondContact O-N 3.36Å |
| 95 | V | 86.4 | Confident | 80.7 | Confident | 22 Ų | 22 | 40 Ų | 40 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | S91 V92 I93 G97 A98 V99 V203 L207 I210 | S91-V95 WeakPolarHBondContact O-CG2 3.45Å; S91-V95 PolarHBondContact O-N 3Å; V92-V95 PolarHBondContact O-N 2.92Å; I93-V95 VanDerWaalsContact C-N 3.32Å; I93-V95 PolarHBondContact O-N 2.91Å; V95-G97 VanDerWaalsContact C-N 3.35Å; V95-G97 PolarHBondContact O-N 3.36Å; V95-A98 PolarHBondContact O-N 2.86Å; V95-V99 VanDerWaalsContact O-CG2 3.29Å; V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 2.99Å; V95-V203 HydrophobicContact CG1-CG2 4.43Å; V95-L207 HydrophobicContact CG2-CD2 4.48Å; V95-L207 HydrophobicContact CG2-CG 4.45Å; V95-I210 HydrophobicContact CG2-CD1 4.19Å |
| 96 | I | 87.6 | Confident | 81.8 | Confident | 109 Ų | 109 | 36 Ų | 36 | 56% | 0.559 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -61.5 | -45.1 | 176.1 | -66.4 | 165.6 | 0 | 0 | 0 | 110.7 | V92 I93 V99 Y100 | V92-I96 HydrophobicContact CG1-CD1 4.06Å; V92-I96 WeakPolarHBondContact O-CG1 3.49Å; V92-I96 PolarHBondContact O-N 3.15Å; I93-I96 PolarHBondContact O-N 2.93Å; I96-V99 PolarHBondContact O-N 2.96Å; I96-Y100 PolarHBondContact O-N 3.05Å |
| 97 | G | 86.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G57 I93 T94 V95 Y100 C101 | G57-G97 WeakPolarHBondContact CA-O 2.99Å; G57-G97 CarbonylContact O-C 3.41Å; G57-G97 WeakPolarHBondContact O-CA 3.15Å; I93-G97 PolarHBondContact O-N 3.46Å; T94-G97 PolarHBondContact O-N 3.27Å; V95-G97 VanDerWaalsContact C-N 3.35Å; V95-G97 PolarHBondContact O-N 3.36Å; G97-Y100 WeakPolarHBondContact O-CB 3.2Å; G97-Y100 PolarHBondContact O-N 3.38Å; G97-C101 PolarHBondContact O-N 3.03Å |
| 98 | A | 87.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.1 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T94 V95 C101 M102 E202 V203 | T94-A98 WeakPolarHBondContact O-CB 3.5Å; T94-A98 PolarHBondContact O-N 3.36Å; V95-A98 PolarHBondContact O-N 2.86Å; A98-C101 WeakPolarHBondContact O-CB 3.42Å; A98-C101 PolarHBondContact O-N 3.43Å; A98-M102 WeakPolarHBondContact O-CG 3.14Å; A98-M102 PolarHBondContact O-N 3.11Å; A98-E202 HydrophobicContact CB-CB 3.7Å; A98-V203 HydrophobicContact CB-CG2 3.68Å |
| 99 | V | 88.9 | Confident | 84 | Confident | 59 Ų | 59 | 30.9 Ų | 30.9 | 36% | 0.358 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 172.5 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | V95 I96 C101 M102 L103 V203 | V95-V99 VanDerWaalsContact O-CG2 3.29Å; V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 2.99Å; I96-V99 PolarHBondContact O-N 2.96Å; V99-C101 VanDerWaalsContact C-N 3.32Å; V99-C101 PolarHBondContact O-N 2.88Å; V99-M102 HydrophobicContact CB-CE 4.46Å; V99-M102 HydrophobicContact CG2-CE 4.01Å; V99-M102 PolarHBondContact O-N 3.15Å; V99-L103 HydrophobicContact CG1-CD1 4.25Å; V99-L103 HydrophobicContact CG1-CG 4.38Å; V99-L103 VanDerWaalsContact O-CG 3.32Å; V99-L103 WeakPolarHBondContact O-CG 2.97Å; V99-L103 PolarHBondContact O-N 3.24Å; V99-V203 HydrophobicContact CG2-CG2 4.08Å |
| 100 | Y | 87.1 | Confident | 84.5 | Confident | 53 Ų | 53 | 29.2 Ų | 29.2 | 21% | 0.208 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 175.1 | 171.8 | -97.1 | 0 | 0 | 0 | 112.1 | W51 I56 I96 G97 M102 L103 I104 F128 | W51-Y100 VanDerWaalsContact CE3-OH 3.28Å; W51-Y100 PolarHBondContact O-OH 3.45Å; I56-Y100 HydrophobicContact CB-CE1 4.39Å; I56-Y100 HydrophobicContact CG2-CE1 4.14Å; I96-Y100 PolarHBondContact O-N 3.05Å; G97-Y100 WeakPolarHBondContact O-CB 3.2Å; G97-Y100 PolarHBondContact O-N 3.38Å; Y100-M102 PolarHBondContact O-N 2.91Å; Y100-L103 PolarHBondContact O-N 2.93Å; Y100-I104 HydrophobicContact CD2-CG1 4.41Å; Y100-I104 HydrophobicContact CE1-CG1 4.19Å; Y100-I104 HydrophobicContact CE2-CD1 4.2Å; Y100-I104 HydrophobicContact CE2-CG1 3.94Å; Y100-I104 WeakPolarHBondContact O-CG1 3.34Å; Y100-I104 PolarHBondContact O-N 3.42Å; Y100-I104 VanDerWaalsContact O-N 3.15Å; Y100-F128 HydrophobicContact CE2-CE1 4.44Å |
| 101 | C | 88.7 | Confident | 84.7 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.8 | -49.2 | 175.3 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | G97 A98 V99 L103 I104 S105 | G97-C101 PolarHBondContact O-N 3.03Å; A98-C101 WeakPolarHBondContact O-CB 3.42Å; A98-C101 PolarHBondContact O-N 3.43Å; V99-C101 VanDerWaalsContact C-N 3.32Å; V99-C101 PolarHBondContact O-N 2.88Å; C101-L103 VanDerWaalsContact C-N 3.35Å; C101-L103 PolarHBondContact O-N 3.16Å; C101-I104 PolarHBondContact O-N 2.88Å; C101-S105 WeakPolarHBondContact O-CB 3.2Å; C101-S105 PolarHBondContact O-N 3.37Å; C101-S105 PolarHBondContact O-OG 3.49Å |
| 102 | M | 89.5 | Confident | 84.7 | Confident | 34 Ų | 34 | 31.7 Ų | 31.7 | 17% | 0.167 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 177.8 | -71.1 | -167.3 | -68.6 | 0 | 0 | 112.7 | A98 V99 Y100 S105 I106 L196 I200 V203 | A98-M102 WeakPolarHBondContact O-CG 3.14Å; A98-M102 PolarHBondContact O-N 3.11Å; V99-M102 HydrophobicContact CB-CE 4.46Å; V99-M102 HydrophobicContact CG2-CE 4.01Å; V99-M102 PolarHBondContact O-N 3.15Å; Y100-M102 PolarHBondContact O-N 2.91Å; M102-S105 PolarHBondContact O-N 2.84Å; M102-I106 WeakPolarHBondContact O-CB 3.46Å; M102-I106 WeakPolarHBondContact O-CG1 3.19Å; M102-I106 PolarHBondContact O-N 3.42Å; M102-L196 HydrophobicContact CB-CD1 3.89Å; M102-L196 HydrophobicContact CG-CD1 3.91Å; M102-L196 HydrophobicContact SD-CD1 4.48Å; M102-I200 HydrophobicContact CG-CG1 4.45Å; M102-I200 HydrophobicContact SD-CB 4.26Å; M102-I200 HydrophobicContact SD-CG1 3.46Å; M102-I200 WeakPolarHBondContact SD-CG1 3.32Å; M102-V203 HydrophobicContact CE-CG2 3.62Å |
| 103 | L | 86.9 | Confident | 84.4 | Confident | 47 Ų | 47 | 28.8 Ų | 28.8 | 25% | 0.246 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | -179 | -69.2 | -178.8 | 0 | 0 | 0 | 111.8 | V99 Y100 C101 I106 Q107 L130 I133 | V99-L103 HydrophobicContact CG1-CD1 4.25Å; V99-L103 HydrophobicContact CG1-CG 4.38Å; V99-L103 VanDerWaalsContact O-CG 3.32Å; V99-L103 WeakPolarHBondContact O-CG 2.97Å; V99-L103 PolarHBondContact O-N 3.24Å; Y100-L103 PolarHBondContact O-N 2.93Å; C101-L103 VanDerWaalsContact C-N 3.35Å; C101-L103 PolarHBondContact O-N 3.16Å; L103-I106 PolarHBondContact O-N 3Å; L103-Q107 PolarHBondContact O-N 3.09Å; L103-L130 HydrophobicContact CD1-CD2 4.09Å; L103-I133 HydrophobicContact CB-CD1 4Å; L103-I133 HydrophobicContact CD1-CD1 4.05Å; L103-I133 HydrophobicContact CD2-CD1 4.02Å; L103-I133 HydrophobicContact CD2-CG2 3.86Å; L103-I133 HydrophobicContact CG-CD1 4.23Å |
| 104 | I | 85.6 | Confident | 84 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 177.7 | -63.3 | -74.8 | 0 | 0 | 0 | 110.7 | F48 W51 P53 Y100 C101 I106 Q107 A108 F128 | F48-I104 HydrophobicContact CB-CG2 4.33Å; F48-I104 HydrophobicContact CD1-CG2 4.5Å; W51-I104 HydrophobicContact CB-CD1 4.31Å; W51-I104 HydrophobicContact CB-CG2 4.45Å; W51-I104 HydrophobicContact CG-CD1 4.47Å; P53-I104 HydrophobicContact CB-CB 3.9Å; P53-I104 HydrophobicContact CB-CG2 3.71Å; P53-I104 HydrophobicContact CG-CB 4.5Å; P53-I104 HydrophobicContact CG-CG2 3.79Å; Y100-I104 HydrophobicContact CD2-CG1 4.41Å; Y100-I104 HydrophobicContact CE1-CG1 4.19Å; Y100-I104 HydrophobicContact CE2-CD1 4.2Å; Y100-I104 HydrophobicContact CE2-CG1 3.94Å; Y100-I104 WeakPolarHBondContact O-CG1 3.34Å; Y100-I104 PolarHBondContact O-N 3.42Å; Y100-I104 VanDerWaalsContact O-N 3.15Å; C101-I104 PolarHBondContact O-N 2.88Å; I104-I106 PolarHBondContact O-N 3.01Å; I104-Q107 PolarHBondContact O-N 2.85Å; I104-A108 WeakPolarHBondContact O-CB 3.41Å; I104-A108 PolarHBondContact O-N 3.29Å; I104-F128 HydrophobicContact CD1-CD1 4.19Å; I104-F128 HydrophobicContact CD1-CD2 3.29Å; I104-F128 HydrophobicContact CD1-CE1 4.18Å; I104-F128 HydrophobicContact CD1-CE2 3.28Å; I104-F128 HydrophobicContact CD1-CG 3.75Å; I104-F128 HydrophobicContact CD1-CZ 3.75Å; I104-F128 HydrophobicContact CG1-CE2 4.13Å; I104-F128 HydrophobicContact CG1-CZ 4.38Å |
| 105 | S | 88.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 178.6 | -64.9 | 0 | 0 | 0 | 0 | 113 | C101 M102 A108 L109 L195 | C101-S105 WeakPolarHBondContact O-CB 3.2Å; C101-S105 PolarHBondContact O-N 3.37Å; C101-S105 PolarHBondContact O-OG 3.49Å; M102-S105 PolarHBondContact O-N 2.84Å; S105-A108 PolarHBondContact O-N 3.43Å; S105-L109 WeakPolarHBondContact O-CG 3.3Å; S105-L109 PolarHBondContact O-N 3.21Å; S105-L195 VanDerWaalsContact OG-CB 3.3Å; S105-L195 WeakPolarHBondContact OG-CB 3.4Å |
| 106 | I | 86.3 | Confident | 82.7 | Confident | 45 Ų | 45 | 31 Ų | 31 | 23% | 0.231 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.8 | -48.8 | 174.5 | -74.3 | 165.1 | 0 | 0 | 0 | 110.3 | M102 L103 I104 A108 L109 L110 F141 L196 | M102-I106 WeakPolarHBondContact O-CB 3.46Å; M102-I106 WeakPolarHBondContact O-CG1 3.19Å; M102-I106 PolarHBondContact O-N 3.42Å; L103-I106 PolarHBondContact O-N 3Å; I104-I106 PolarHBondContact O-N 3.01Å; I106-A108 VanDerWaalsContact C-N 3.28Å; I106-A108 PolarHBondContact O-N 2.87Å; I106-L109 PolarHBondContact O-N 2.76Å; I106-L109 VanDerWaalsContact O-N 3.12Å; I106-L110 HydrophobicContact CG2-CD1 3.97Å; I106-L110 HydrophobicContact CG2-CG 4.37Å; I106-L110 WeakPolarHBondContact O-CG 3.2Å; I106-L110 PolarHBondContact O-N 3.29Å; I106-F141 HydrophobicContact CG2-CE2 4.15Å; I106-L196 HydrophobicContact CD1-CD1 3.88Å; I106-L196 HydrophobicContact CG1-CD1 3.69Å; I106-L196 HydrophobicContact CG1-CD2 3.89Å; I106-L196 HydrophobicContact CG1-CG 4.43Å |
| 107 | Q | 81.9 | Confident | 81.8 | Confident | 26 Ų | 26 | 29.2 Ų | 29.2 | 12% | 0.121 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 179.5 | -170.1 | 65.2 | 30.5 | 0 | 0 | 111.3 | F48 L103 I104 L109 L110 E111 | F48-Q107 HydrophobicContact CE1-CB 4.17Å; F48-Q107 HydrophobicContact CE1-CG 3.6Å; F48-Q107 HydrophobicContact CZ-CB 4.39Å; F48-Q107 HydrophobicContact CZ-CG 3.57Å; L103-Q107 PolarHBondContact O-N 3.09Å; I104-Q107 PolarHBondContact O-N 2.85Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 2.97Å; Q107-L110 PolarHBondContact O-N 3.32Å; Q107-E111 PolarHBondContact NE2-OE2 3.34Å; Q107-E111 PolarHBondContact O-N 3.22Å |
| 108 | A | 82.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F48 I104 S105 I106 G112 H188 F192 | F48-A108 HydrophobicContact CB-CB 3.85Å; F48-A108 HydrophobicContact CD2-CB 3.77Å; F48-A108 HydrophobicContact CG-CB 3.86Å; I104-A108 WeakPolarHBondContact O-CB 3.41Å; I104-A108 PolarHBondContact O-N 3.29Å; S105-A108 PolarHBondContact O-N 3.43Å; I106-A108 VanDerWaalsContact C-N 3.28Å; I106-A108 PolarHBondContact O-N 2.87Å; A108-G112 PolarHBondContact O-N 3.22Å; A108-H188 PolarHBondContact O-CE1 2.87Å; A108-F192 HydrophobicContact CB-CB 4.35Å; A108-F192 HydrophobicContact CB-CD1 3.41Å; A108-F192 VanDerWaalsContact CB-CD1 3.41Å; A108-F192 HydrophobicContact CB-CD2 3.85Å; A108-F192 HydrophobicContact CB-CE1 3.5Å; A108-F192 VanDerWaalsContact CB-CE1 3.5Å; A108-F192 HydrophobicContact CB-CE2 3.96Å; A108-F192 HydrophobicContact CB-CG 3.6Å; A108-F192 HydrophobicContact CB-CZ 3.78Å |
| 109 | L | 85.8 | Confident | 78.5 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -34.6 | 176.5 | -76.1 | 164.2 | 0 | 0 | 0 | 112.9 | S105 I106 Q107 L143 W145 F189 F192 L196 | S105-L109 WeakPolarHBondContact O-CG 3.3Å; S105-L109 PolarHBondContact O-N 3.21Å; I106-L109 PolarHBondContact O-N 2.76Å; I106-L109 VanDerWaalsContact O-N 3.12Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 2.97Å; L109-L143 HydrophobicContact CB-CD2 4.48Å; L109-L143 WeakPolarHBondContact O-CD2 3.46Å; L109-W145 WeakPolarHBondContact O-CZ2 3.22Å; L109-W145 PolarHBondContact O-NE1 2.93Å; L109-F189 HydrophobicContact CD2-CD2 3.76Å; L109-F189 HydrophobicContact CD2-CE2 4.13Å; L109-F192 HydrophobicContact CD1-CB 4.46Å; L109-F192 HydrophobicContact CD2-CB 4.08Å; L109-F192 HydrophobicContact CG-CB 3.85Å; L109-L196 HydrophobicContact CD1-CD2 4Å |
| 110 | L | 81.5 | Confident | 76.4 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.199 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.4 | -47.1 | 178.2 | -70.1 | 174.9 | 0 | 0 | 0 | 111.7 | I106 Q107 I136 D140 F141 | I106-L110 HydrophobicContact CG2-CD1 3.97Å; I106-L110 HydrophobicContact CG2-CG 4.37Å; I106-L110 WeakPolarHBondContact O-CG 3.2Å; I106-L110 PolarHBondContact O-N 3.29Å; Q107-L110 PolarHBondContact O-N 3.32Å; L110-I136 HydrophobicContact CD1-CD1 4.01Å; L110-I136 HydrophobicContact CD1-CG1 4.43Å; L110-I136 HydrophobicContact CD1-CG2 4.28Å; L110-D140 WeakPolarHBondContact CD2-O 3.3Å; L110-F141 HydrophobicContact CD2-CB 4.37Å; L110-F141 HydrophobicContact CD2-CD2 3.61Å; L110-F141 HydrophobicContact CD2-CE2 4.09Å; L110-F141 HydrophobicContact CD2-CG 4.1Å; L110-F141 HydrophobicContact CG-CD2 4.39Å; L110-F141 HydrophobicContact CG-CE2 4.46Å |
| 111 | E | 78.5 | Confident | 74.3 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.6 | -33.5 | -178.5 | -144 | 73.3 | -144.2 | 0 | 0 | 112.4 | F48 Q107 | F48-E111 HydrophobicContact CE2-CB 3.79Å; F48-E111 HydrophobicContact CE2-CG 4.18Å; F48-E111 HydrophobicContact CZ-CB 4.38Å; Q107-E111 PolarHBondContact NE2-OE2 3.34Å; Q107-E111 PolarHBondContact O-N 3.22Å |
| 112 | G | 77.3 | Confident | 72.5 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | trans | 74.4 | -172.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A108 | A108-G112 PolarHBondContact O-N 3.22Š| ||
| 113 | P | 76.4 | Confident | 70.5 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | trans | -79 | 152.8 | -179.2 | 30 | -32.6 | 0 | 0 | 0 | 112.1 | M115 C116 W145 R185 H188 | P113-M115 HydrophobicContact CB-CE 3.48Å; P113-M115 VanDerWaalsContact CB-CE 3.48Å; P113-M115 HydrophobicContact CB-CG 4.33Å; P113-M115 HydrophobicContact CG-CE 3.34Å; P113-M115 HydrophobicContact CG-CG 4.25Å; P113-M115 PolarHBondContact O-N 3.21Å; P113-M115 VanDerWaalsContact O-N 3.12Å; P113-C116 VanDerWaalsContact CG-SG 3.56Å; P113-C116 WeakPolarHBondContact O-CB 3.01Å; P113-C116 PolarHBondContact O-N 2.64Å; P113-W145 VanDerWaalsContact CD-CE3 3.41Å; P113-W145 HydrophobicContact CG-CE3 4.18Å; P113-W145 HydrophobicContact CG-CZ3 4.17Å; P113-R185 HydrophobicContact CG-CG 4.34Å; P113-H188 HydrophobicContact CB-CB 4.27Å | ||
| 114 | L | 71.6 | Confident | 68.6 | Low | 50 Ų | 50 | 52.2 Ų | 52.2 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -57.8 | -32.3 | -172.3 | -84.1 | 154.8 | 0 | 0 | 0 | 113.9 | P44 I45 C116 N117 | P44-L114 HydrophobicContact CG-CD1 4.14Å; P44-L114 WeakPolarHBondContact O-CD1 3.38Å; I45-L114 PolarHBondContact O-N 3.01Å; L114-C116 PolarHBondContact O-N 3.06Å; L114-C116 VanDerWaalsContact O-N 3.17Å; L114-N117 PolarHBondContact O-N 2.73Å |
| 115 | M | 68.9 | Low | 67.1 | Low | 59 Ų | 59 | 57.1 Ų | 57.1 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -60.6 | -23.2 | 176.3 | 64.3 | -167.5 | 148.7 | 0 | 0 | 114.3 | P113 E181 H184 R185 | P113-M115 HydrophobicContact CB-CE 3.48Å; P113-M115 VanDerWaalsContact CB-CE 3.48Å; P113-M115 HydrophobicContact CB-CG 4.33Å; P113-M115 HydrophobicContact CG-CE 3.34Å; P113-M115 HydrophobicContact CG-CG 4.25Å; P113-M115 PolarHBondContact O-N 3.21Å; P113-M115 VanDerWaalsContact O-N 3.12Å; M115-E181 HydrophobicContact SD-CG 4.27Å; M115-H184 HydrophobicContact CE-CB 3.33Å; M115-H184 HydrophobicContact SD-CB 3.97Å; M115-R185 HydrophobicContact CE-CB 4.42Å; M115-R185 HydrophobicContact CE-CG 3.59Å |
| 116 | C | 69.8 | Low | 66 | Low | 25 Ų | 25 | 59.4 Ų | 59.4 | 17% | 0.169 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -89.7 | -12.3 | 178.8 | -52.7 | 0 | 0 | 0 | 0 | 112.9 | P113 L114 W145 C151 | P113-C116 VanDerWaalsContact CG-SG 3.56Å; P113-C116 WeakPolarHBondContact O-CB 3.01Å; P113-C116 PolarHBondContact O-N 2.64Å; L114-C116 PolarHBondContact O-N 3.06Å; L114-C116 VanDerWaalsContact O-N 3.17Å; C116-W145 HydrophobicContact CB-CB 4.29Å; C116-C151 WeakPolarHBondContact CA-O 3.44Å; C116-C151 VanDerWaalsContact CA-SG 3.53Å; C116-C151 HydrophobicContact CB-CB 3.47Å; C116-C151 VanDerWaalsContact CB-CB 3.47Å; C116-C151 WeakPolarHBondContact CB-SG 3.44Å; C116-C151 WeakPolarHBondContact SG-CB 3.39Å; C116-C151 CovalentContact SG-SG 2.01Å; C116-C151 PolarHBondContact SG-SG 2.93Å |
| 117 | N | 68.1 | Low | 65 | Low | 73 Ų | 73 | 65.2 Ų | 65.2 | 39% | 0.39 | 38% | 0.381 | S | S | . | . | trans | -115.8 | 95.1 | -175.3 | -168.7 | 7.3 | 0 | 0 | 0 | 110.5 | L114 Q119 | L114-N117 PolarHBondContact O-N 2.73Å; N117-Q119 PolarHBondContact OD1-N 3.5Å | ||
| 118 | S | 55 | Low | 64.3 | Low | 89 Ų | 89 | 65.6 Ų | 65.6 | 62% | 0.622 | 38% | 0.382 | S | S | * | . | trans | -96.2 | 7.7 | 178.4 | -177.2 | 0 | 0 | 0 | 0 | 113.7 | G120 | S118-G120 VanDerWaalsContact C-N 3.29Å; S118-G120 PolarHBondContact O-N 2.97Å | ||
| 119 | Q | 50.6 | Low | 63.6 | Low | 176 Ų | 176 | 67.6 Ų | 67.6 | 82% | 0.822 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -74.9 | 93.9 | 173.1 | -163.2 | 154.8 | 16 | 0 | 0 | 107.8 | N117 N121 | N117-Q119 PolarHBondContact OD1-N 3.5Å; Q119-N121 PolarHBondContact O-N 3.24Å |
| 120 | G | 45.5 | Very low | 62.7 | Low | 57 Ų | 57 | 72.7 Ų | 72.7 | 59% | 0.588 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -43.9 | 122.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S118 | S118-G120 VanDerWaalsContact C-N 3.29Å; S118-G120 PolarHBondContact O-N 2.97Å |
| 121 | N | 41.8 | Very low | 61.8 | Low | 123 Ų | 123 | 78.9 Ų | 78.9 | 66% | 0.658 | 45% | 0.448 | S | S | * | . | -170.2 | 142.6 | 113.2 | -80.2 | -39.8 | 0 | 0 | 0 | 107.7 | Q119 N125 | Q119-N121 PolarHBondContact O-N 3.24Å; N121-N125 HydrophobicContact CB-CB 4.11Å; N121-N125 WeakPolarHBondContact CB-ND2 3.34Å; N121-N125 PolarHBondContact ND2-ND2 3.3Å | |||
| 122 | S | 50.2 | Low | 61.1 | Low | 95 Ų | 95 | 79.3 Ų | 79.3 | 66% | 0.664 | 45% | 0.454 | S | S | * | . | trans | -43 | 167.8 | -176.7 | -52.1 | 0 | 0 | 0 | 0 | 115 | A124 N125 | S122-A124 PolarHBondContact O-N 2.83Å; S122-N125 PolarHBondContact O-N 2.97Å | ||
| 123 | T | 47.9 | Very low | 60.6 | Low | 54 Ų | 54 | 80.9 Ų | 80.9 | 33% | 0.331 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -38 | -19.7 | 172 | -37.9 | 0 | 0 | 0 | 0 | 115.7 | P44 | P44-T123 HydrophobicContact CG-CG2 3.57Š|
| 124 | A | 48.4 | Very low | 60 | Low | 90 Ų | 90 | 85.4 Ų | 85.4 | 74% | 0.744 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -71.2 | -18.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S122 | S122-A124 PolarHBondContact O-N 2.83Š|
| 125 | N | 53.9 | Low | 59.6 | Low | 103 Ų | 103 | 88.2 Ų | 88.2 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -104 | 4.8 | -174 | -79.3 | 15.3 | 0 | 0 | 0 | 115 | N121 S122 E127 | N121-N125 HydrophobicContact CB-CB 4.11Å; N121-N125 WeakPolarHBondContact CB-ND2 3.34Å; N121-N125 PolarHBondContact ND2-ND2 3.3Å; S122-N125 PolarHBondContact O-N 2.97Å; N125-E127 VanDerWaalsContact C-N 3.3Å; N125-E127 PolarHBondContact O-N 3.27Å |
| 126 | C | 64.4 | Low | 59.2 | Low | 48 Ų | 48 | 88.1 Ų | 88.1 | 32% | 0.324 | 51% | 0.507 | S | S | . | . | trans | -77 | 83.9 | 179.6 | -72.4 | 0 | 0 | 0 | 0 | 110.6 | C47 | C47-C126 HydrophobicContact CB-CB 3.18Å; C47-C126 WeakPolarHBondContact CB-SG 3.35Å; C47-C126 WeakPolarHBondContact SG-CB 3.36Å; C47-C126 CovalentContact SG-SG 2.03Å; C47-C126 PolarHBondContact SG-SG 3.35Å | ||
| 127 | E | 65.5 | Low | 58.9 | Low | 166 Ų | 166 | 92.4 Ų | 92.4 | 78% | 0.776 | 53% | 0.525 | S | S | * | . | trans | -82.5 | 112.8 | 177.1 | -168.1 | 179.8 | 167.1 | 0 | 0 | 110 | N125 S129 | N125-E127 VanDerWaalsContact C-N 3.3Å; N125-E127 PolarHBondContact O-N 3.27Å; E127-S129 PolarHBondContact O-N 3.46Å | ||
| 128 | F | 66.3 | Low | 58.5 | Low | 34 Ų | 34 | 94.4 Ų | 94.4 | 15% | 0.149 | 54% | 0.542 | C | S | . | . | trans | -73.1 | 107.1 | 166.7 | 176.7 | -107.3 | 0 | 0 | 0 | 109 | W51 Y100 I104 L130 I133 | W51-F128 HydrophobicContact CD2-CB 4.35Å; W51-F128 HydrophobicContact CH2-CB 4.02Å; W51-F128 HydrophobicContact CH2-CD1 4.46Å; W51-F128 HydrophobicContact CZ2-CB 3.6Å; W51-F128 HydrophobicContact CZ3-CD1 4.5Å; Y100-F128 HydrophobicContact CE2-CE1 4.44Å; I104-F128 HydrophobicContact CD1-CD1 4.19Å; I104-F128 HydrophobicContact CD1-CD2 3.29Å; I104-F128 HydrophobicContact CD1-CE1 4.18Å; I104-F128 HydrophobicContact CD1-CE2 3.28Å; I104-F128 HydrophobicContact CD1-CG 3.75Å; I104-F128 HydrophobicContact CD1-CZ 3.75Å; I104-F128 HydrophobicContact CG1-CE2 4.13Å; I104-F128 HydrophobicContact CG1-CZ 4.38Å; F128-L130 HydrophobicContact CE1-CD2 3.77Å; F128-L130 HydrophobicContact CE1-CG 4.03Å; F128-L130 HydrophobicContact CZ-CD2 3.66Å; F128-L130 HydrophobicContact CZ-CG 4.37Å; F128-I133 HydrophobicContact CE2-CD1 3.94Å; F128-I133 HydrophobicContact CZ-CD1 3.97Å | ||
| 129 | S | 67.7 | Low | 58.6 | Low | 43 Ų | 43 | 98 Ų | 98 | 30% | 0.301 | 55% | 0.549 | S | S | . | . | trans | -116.3 | 114.7 | 178.8 | -170.5 | 0 | 0 | 0 | 0 | 111.3 | E127 K131 N132 | E127-S129 PolarHBondContact O-N 3.46Å; S129-K131 PolarHBondContact O-N 3.43Å; S129-K131 VanDerWaalsContact O-N 3.12Å; S129-N132 WeakPolarHBondContact O-CB 3.39Å; S129-N132 PolarHBondContact O-N 3Å; S129-N132 VanDerWaalsContact O-N 3.07Å | ||
| 130 | L | 66.8 | Low | 59.1 | Low | 109 Ų | 109 | 94.3 Ų | 94.3 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.9 | -22.7 | 175.3 | -72.7 | 175.4 | 0 | 0 | 0 | 113 | L103 F128 N132 I133 | L103-L130 HydrophobicContact CD1-CD2 4.09Å; F128-L130 HydrophobicContact CE1-CD2 3.77Å; F128-L130 HydrophobicContact CE1-CG 4.03Å; F128-L130 HydrophobicContact CZ-CD2 3.66Å; F128-L130 HydrophobicContact CZ-CG 4.37Å; L130-N132 VanDerWaalsContact C-N 3.34Å; L130-I133 HydrophobicContact CD2-CD1 3.76Å; L130-I133 WeakPolarHBondContact O-CB 3.35Å; L130-I133 PolarHBondContact O-N 3.03Å |
| 131 | K | 62.8 | Low | 60.2 | Low | 168 Ų | 168 | 96 Ų | 96 | 73% | 0.73 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.6 | -33.5 | 176.1 | -76.9 | -176.7 | 175.3 | -177.9 | 0 | 112.7 | S129 I133 S134 | S129-K131 PolarHBondContact O-N 3.43Å; S129-K131 VanDerWaalsContact O-N 3.12Å; K131-I133 PolarHBondContact O-N 3.12Å; K131-S134 PolarHBondContact O-N 3.04Å; K131-S134 PolarHBondContact O-OG 3.19Å |
| 132 | N | 64.3 | Low | 61.6 | Low | 98 Ų | 98 | 94.4 Ų | 94.4 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -29.7 | 176.9 | -118.1 | 4.9 | 0 | 0 | 0 | 111.4 | S129 L130 D135 I136 | S129-N132 WeakPolarHBondContact O-CB 3.39Å; S129-N132 PolarHBondContact O-N 3Å; S129-N132 VanDerWaalsContact O-N 3.07Å; L130-N132 VanDerWaalsContact C-N 3.34Å; N132-D135 PolarHBondContact O-N 3.35Å; N132-I136 PolarHBondContact O-N 2.91Å |
| 133 | I | 65.8 | Low | 63 | Low | 37 Ų | 37 | 90.9 Ų | 90.9 | 19% | 0.19 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.7 | -38.5 | -179.3 | -53.6 | -173.7 | 0 | 0 | 0 | 111.5 | L103 F128 L130 K131 D135 I136 | L103-I133 HydrophobicContact CB-CD1 4Å; L103-I133 HydrophobicContact CD1-CD1 4.05Å; L103-I133 HydrophobicContact CD2-CD1 4.02Å; L103-I133 HydrophobicContact CD2-CG2 3.86Å; L103-I133 HydrophobicContact CG-CD1 4.23Å; F128-I133 HydrophobicContact CE2-CD1 3.94Å; F128-I133 HydrophobicContact CZ-CD1 3.97Å; L130-I133 HydrophobicContact CD2-CD1 3.76Å; L130-I133 WeakPolarHBondContact O-CB 3.35Å; L130-I133 PolarHBondContact O-N 3.03Å; K131-I133 PolarHBondContact O-N 3.12Å; I133-D135 PolarHBondContact O-N 3.49Å; I133-I136 HydrophobicContact CB-CD1 4.29Å; I133-I136 HydrophobicContact CG2-CD1 4.08Å; I133-I136 WeakPolarHBondContact O-CG1 3.36Å; I133-I136 PolarHBondContact O-N 2.96Å |
| 134 | S | 65.2 | Low | 64.4 | Low | 96 Ų | 96 | 96.8 Ų | 96.8 | 67% | 0.671 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -19.2 | 176.8 | 23.7 | 0 | 0 | 0 | 0 | 113.9 | K131 | K131-S134 PolarHBondContact O-N 3.04Å; K131-S134 PolarHBondContact O-OG 3.19Å |
| 135 | D | 61.8 | Low | 65.8 | Low | 109 Ų | 109 | 93.8 Ų | 93.8 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 1.3 | 178 | -77.9 | -29.9 | 0 | 0 | 0 | 113.3 | N132 I133 H137 | N132-D135 PolarHBondContact O-N 3.35Å; I133-D135 PolarHBondContact O-N 3.49Å; D135-H137 PolarHBondContact O-N 3.48Å; D135-H137 PolarHBondContact O-ND1 3.39Å |
| 136 | I | 60.7 | Low | 67.2 | Low | 57 Ų | 57 | 91.4 Ų | 91.4 | 29% | 0.292 | 46% | 0.461 | S | S | . | . | trans | -66.2 | 107.2 | 177.1 | -62 | 173.4 | 0 | 0 | 0 | 109.1 | L110 N132 I133 | L110-I136 HydrophobicContact CD1-CD1 4.01Å; L110-I136 HydrophobicContact CD1-CG1 4.43Å; L110-I136 HydrophobicContact CD1-CG2 4.28Å; N132-I136 PolarHBondContact O-N 2.91Å; I133-I136 HydrophobicContact CB-CD1 4.29Å; I133-I136 HydrophobicContact CG2-CD1 4.08Å; I133-I136 WeakPolarHBondContact O-CG1 3.36Å; I133-I136 PolarHBondContact O-N 2.96Å | ||
| 137 | H | 63.7 | Low | 67.9 | Low | 116 Ų | 116 | 96.5 Ų | 96.5 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | trans | -84.9 | 146.9 | 169.8 | -72.4 | 69.7 | 0 | 0 | 0 | 109.3 | D135 E139 D140 | D135-H137 PolarHBondContact O-N 3.48Å; D135-H137 PolarHBondContact O-ND1 3.39Å; H137-E139 PolarHBondContact O-N 3.5Å; H137-D140 PolarHBondContact N-OD2 3.3Å; H137-D140 PolarHBondContact O-N 2.88Å | ||
| 138 | P | 59.3 | Low | 68.5 | Low | 115 Ų | 115 | 93.2 Ų | 93.2 | 75% | 0.747 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -59.4 | -18 | 178.5 | 22.8 | -32.7 | 0 | 0 | 0 | 113.7 | D140 | P138-D140 VanDerWaalsContact C-N 3.33Š|
| 139 | E | 57.1 | Low | 68.5 | Low | 164 Ų | 164 | 98.9 Ų | 98.9 | 77% | 0.766 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -72.6 | -21.8 | 175.8 | -56.9 | -70.2 | 151.5 | 0 | 0 | 113.3 | H137 F141 | H137-E139 PolarHBondContact O-N 3.5Å; E139-F141 VanDerWaalsContact C-N 3.29Å; E139-F141 PolarHBondContact O-N 2.85Å |
| 140 | D | 63 | Low | 68.6 | Low | 98 Ų | 98 | 100 Ų | 100 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -81.7 | -8 | -178.4 | -64.8 | -41.7 | 0 | 0 | 0 | 112.9 | L110 H137 P138 N142 | L110-D140 WeakPolarHBondContact CD2-O 3.3Å; H137-D140 PolarHBondContact N-OD2 3.3Å; H137-D140 PolarHBondContact O-N 2.88Å; P138-D140 VanDerWaalsContact C-N 3.33Å; D140-N142 PolarHBondContact O-N 2.89Å |
| 141 | F | 68.6 | Low | 68.8 | Low | 94 Ų | 94 | 95.6 Ų | 95.6 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | trans | -75.4 | 42.6 | 175.2 | -140.9 | -87.1 | 0 | 0 | 0 | 112.3 | I106 L110 E139 L143 | I106-F141 HydrophobicContact CG2-CE2 4.15Å; L110-F141 HydrophobicContact CD2-CB 4.37Å; L110-F141 HydrophobicContact CD2-CD2 3.61Å; L110-F141 HydrophobicContact CD2-CE2 4.09Å; L110-F141 HydrophobicContact CD2-CG 4.1Å; L110-F141 HydrophobicContact CG-CD2 4.39Å; L110-F141 HydrophobicContact CG-CE2 4.46Å; E139-F141 VanDerWaalsContact C-N 3.29Å; E139-F141 PolarHBondContact O-N 2.85Å; F141-L143 HydrophobicContact CD1-CD1 4.44Å; F141-L143 HydrophobicContact CE1-CD1 4.18Å; F141-L143 PolarHBondContact O-N 3.21Å | ||
| 142 | N | 70.1 | Confident | 68.9 | Low | 89 Ų | 89 | 90.6 Ų | 90.6 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | trans | -97 | 94.4 | 178.1 | -155.8 | -38.5 | 0 | 0 | 0 | 108.7 | D140 R144 | D140-N142 PolarHBondContact O-N 2.89Å; N142-R144 HydrophobicContact CB-CG 4.28Å; N142-R144 PolarHBondContact O-N 2.92Å; N142-R144 WeakPolarHBondContact OD1-CG 3.5Å | ||
| 143 | L | 79.4 | Confident | 68.5 | Low | 20 Ų | 20 | 88.2 Ų | 88.2 | 11% | 0.105 | 46% | 0.457 | C | S | . | . | trans | -68.8 | 48.4 | 177.6 | -66.5 | 153.4 | 0 | 0 | 0 | 111.9 | L109 F141 W145 F146 F147 F189 | L109-L143 HydrophobicContact CB-CD2 4.48Å; L109-L143 WeakPolarHBondContact O-CD2 3.46Å; F141-L143 HydrophobicContact CD1-CD1 4.44Å; F141-L143 HydrophobicContact CE1-CD1 4.18Å; F141-L143 PolarHBondContact O-N 3.21Å; L143-W145 HydrophobicContact CD2-CZ2 3.71Å; L143-W145 PolarHBondContact O-N 3.44Å; L143-F146 HydrophobicContact CB-CB 4.08Å; L143-F146 WeakPolarHBondContact O-CA 3.33Å; L143-F146 WeakPolarHBondContact O-CB 3.45Å; L143-F146 PolarHBondContact O-N 2.9Å; L143-F147 HydrophobicContact CB-CD2 3.96Å; L143-F147 HydrophobicContact CB-CE2 3.88Å; L143-F147 HydrophobicContact CD1-CE2 4.33Å; L143-F147 VanDerWaalsContact O-CD2 3.29Å; L143-F147 WeakPolarHBondContact O-CD2 3.32Å; L143-F147 PolarHBondContact O-N 3.25Å; L143-F189 HydrophobicContact CD1-CE2 3.94Å; L143-F189 HydrophobicContact CD2-CD2 4.44Å; L143-F189 HydrophobicContact CD2-CE2 4.26Å | ||
| 144 | R | 78 | Confident | 67.6 | Low | 178 Ų | 178 | 92.6 Ų | 92.6 | 67% | 0.672 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.4 | -37.9 | -178.8 | -66.6 | -167.6 | -178.7 | 175 | 2.2 | 111.3 | N142 F146 F147 N148 | N142-R144 HydrophobicContact CB-CG 4.28Å; N142-R144 PolarHBondContact O-N 2.92Å; N142-R144 WeakPolarHBondContact OD1-CG 3.5Å; R144-F146 PolarHBondContact O-N 3.32Å; R144-F147 PolarHBondContact O-N 3.11Å; R144-N148 WeakPolarHBondContact O-CB 3.46Å; R144-N148 PolarHBondContact O-N 2.97Å |
| 145 | W | 78 | Confident | 66.7 | Low | 27 Ų | 27 | 94.1 Ų | 94.1 | 10% | 0.102 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -59.6 | -26.8 | 175.1 | 67.4 | -103.6 | 0 | 0 | 0 | 112.7 | L109 P113 C116 L143 R185 H188 F189 | L109-W145 WeakPolarHBondContact O-CZ2 3.22Å; L109-W145 PolarHBondContact O-NE1 2.93Å; P113-W145 VanDerWaalsContact CD-CE3 3.41Å; P113-W145 HydrophobicContact CG-CE3 4.18Å; P113-W145 HydrophobicContact CG-CZ3 4.17Å; C116-W145 HydrophobicContact CB-CB 4.29Å; L143-W145 HydrophobicContact CD2-CZ2 3.71Å; L143-W145 PolarHBondContact O-N 3.44Å; W145-R185 PolarHBondContact O-NE 3.45Å; W145-R185 PolarHBondContact O-NH2 3.41Å; W145-R185 VanDerWaalsContact O-NH2 3.16Å; W145-H188 AromaticContact CH2-ND1 3.61Å; W145-F189 HydrophobicContact CH2-CB 3.91Å; W145-F189 HydrophobicContact CH2-CD2 4.11Å; W145-F189 HydrophobicContact CZ2-CD2 4.38Å |
| 146 | F | 82.7 | Confident | 65.8 | Low | 53 Ų | 53 | 92.6 Ų | 92.6 | 23% | 0.232 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -92.4 | -37.7 | 178.7 | -174.5 | -101 | 0 | 0 | 0 | 112.9 | L143 R144 R185 F189 | L143-F146 HydrophobicContact CB-CB 4.08Å; L143-F146 WeakPolarHBondContact O-CA 3.33Å; L143-F146 WeakPolarHBondContact O-CB 3.45Å; L143-F146 PolarHBondContact O-N 2.9Å; R144-F146 PolarHBondContact O-N 3.32Å; F146-R185 VanDerWaalsContact C-NH2 3.29Å; F146-R185 PolarHBondContact O-NH2 3.45Å; F146-F189 HydrophobicContact CD2-CB 3.81Å; F146-F189 HydrophobicContact CD2-CD1 4.43Å; F146-F189 HydrophobicContact CD2-CD2 4.04Å; F146-F189 AromaticContact CD2-CG 3.83Å; F146-F189 HydrophobicContact CD2-CG 3.83Å; F146-F189 HydrophobicContact CE1-CD1 4.4Å; F146-F189 HydrophobicContact CE1-CE1 4.36Å; F146-F189 HydrophobicContact CE2-CB 3.67Å; F146-F189 AromaticContact CE2-CD1 3.83Å; F146-F189 HydrophobicContact CE2-CD1 3.83Å; F146-F189 HydrophobicContact CE2-CD2 4.26Å; F146-F189 AromaticContact CE2-CG 3.65Å; F146-F189 HydrophobicContact CE2-CG 3.65Å; F146-F189 HydrophobicContact CG-CD2 4.18Å; F146-F189 HydrophobicContact CG-CG 4.38Å; F146-F189 AromaticContact CZ-CD1 3.81Å; F146-F189 HydrophobicContact CZ-CD1 3.81Å; F146-F189 HydrophobicContact CZ-CE1 4.15Å; F146-F189 HydrophobicContact CZ-CG 4.05Å |
| 147 | F | 80.2 | Confident | 65 | Low | 155 Ų | 155 | 95.1 Ų | 95.1 | 68% | 0.68 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -85.2 | -19 | -176.9 | -71 | -67.1 | 0 | 0 | 0 | 114.8 | L143 R144 | L143-F147 HydrophobicContact CB-CD2 3.96Å; L143-F147 HydrophobicContact CB-CE2 3.88Å; L143-F147 HydrophobicContact CD1-CE2 4.33Å; L143-F147 VanDerWaalsContact O-CD2 3.29Å; L143-F147 WeakPolarHBondContact O-CD2 3.32Å; L143-F147 PolarHBondContact O-N 3.25Å; R144-F147 PolarHBondContact O-N 3.11Å |
| 148 | N | 77.6 | Confident | 63.6 | Low | 97 Ų | 97 | 99.2 Ų | 99.2 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -79 | 154 | 180 | -154 | 35.1 | 0 | 0 | 0 | 112 | R144 S150 R185 | R144-N148 WeakPolarHBondContact O-CB 3.46Å; R144-N148 PolarHBondContact O-N 2.97Å; N148-S150 VanDerWaalsContact C-N 3.34Å; N148-S150 PolarHBondContact ND2-O 3.03Å; N148-S150 VanDerWaalsContact ND2-O 3.12Å; N148-S150 PolarHBondContact O-N 3.33Å; N148-R185 PolarHBondContact O-NH1 3.14Å; N148-R185 PolarHBondContact O-NH2 3.48Å |
| 149 | D | 66.8 | Low | 62.4 | Low | 154 Ų | 154 | 100.8 Ų | 100.8 | 82% | 0.824 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -64.7 | -37.5 | -177.3 | -73.3 | -44.2 | 0 | 0 | 0 | 112.8 | R185 | D149-R185 PolarHBondContact O-NH1 3.11Š|
| 150 | S | 67.9 | Low | 61.4 | Low | 65 Ų | 65 | 99 Ų | 99 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | trans | -134.3 | 140.8 | 173.9 | 61.6 | 0 | 0 | 0 | 0 | 110.3 | N148 | N148-S150 VanDerWaalsContact C-N 3.34Å; N148-S150 PolarHBondContact ND2-O 3.03Å; N148-S150 VanDerWaalsContact ND2-O 3.12Å; N148-S150 PolarHBondContact O-N 3.33Å | ||
| 151 | C | 71.1 | Confident | 59.9 | Low | 17 Ų | 17 | 100.8 Ų | 100.8 | 12% | 0.115 | 56% | 0.561 | C | S | . | * | trans | -110.2 | -9.7 | 174.6 | 78.1 | 0 | 0 | 0 | 0 | 113.2 | C116 E181 | C116-C151 WeakPolarHBondContact CA-O 3.44Å; C116-C151 VanDerWaalsContact CA-SG 3.53Å; C116-C151 HydrophobicContact CB-CB 3.47Å; C116-C151 VanDerWaalsContact CB-CB 3.47Å; C116-C151 WeakPolarHBondContact CB-SG 3.44Å; C116-C151 WeakPolarHBondContact SG-CB 3.39Å; C116-C151 CovalentContact SG-SG 2.01Å; C116-C151 PolarHBondContact SG-SG 2.93Å; C151-E181 PolarHBondContact N-OE1 3.33Å | ||
| 152 | V | 65.4 | Low | 58.8 | Low | 63 Ų | 63 | 100.6 Ų | 100.6 | 38% | 0.382 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -69.2 | 124.7 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 153 | P | 56.7 | Low | 57.5 | Low | 49 Ų | 49 | 102.5 Ų | 102.5 | 32% | 0.318 | 58% | 0.582 | S | S | . | * | trans | -63.5 | 139.6 | 174.5 | 13.7 | -14.5 | 0 | 0 | 0 | 109.3 | T155 | P153-T155 PolarHBondContact O-N 3.15Š| ||
| 154 | P | 47.6 | Very low | 55.3 | Low | 129 Ų | 129 | 109.5 Ų | 109.5 | 84% | 0.838 | 62% | 0.62 | S | S | * | * | trans | -59.7 | 107.2 | -177.1 | 22.9 | -31.6 | 0 | 0 | 0 | 109.3 | G156 | P154-G156 PolarHBondContact O-N 2.81Š| ||
| 155 | T | 44.6 | Very low | 53.5 | Low | 128 Ų | 128 | 106.9 Ų | 106.9 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | trans | -61.1 | 128.6 | 163.6 | 33.8 | 0 | 0 | 0 | 0 | 106.8 | P153 | P153-T155 PolarHBondContact O-N 3.15Š| ||
| 156 | G | 44.4 | Very low | 51.6 | Low | 76 Ų | 76 | 114.1 Ų | 114.1 | 78% | 0.784 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -49 | 142.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P154 | P154-G156 PolarHBondContact O-N 2.81Š|
| 157 | S | 43.1 | Very low | 49.3 | Very low | 111 Ų | 111 | 116 Ų | 116 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | 73.5 | 85.6 | 168 | 172.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 158 | K | 34.2 | Very low | 48.1 | Very low | 202 Ų | 202 | 114.8 Ų | 114.8 | 88% | 0.878 | 70% | 0.696 | S | S | * | * | -135.4 | 124.9 | 116.6 | -75.5 | -171.9 | -179.5 | 166.9 | 0 | 108.8 | |||||
| 159 | N | 33.6 | Very low | 46.1 | Very low | 148 Ų | 148 | 112.7 Ų | 112.7 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | -47.6 | 131.4 | 175.2 | -73.6 | -24.1 | 0 | 0 | 0 | 110.4 | T161 | N159-T161 PolarHBondContact O-N 3.42Š| ||
| 160 | P | 36.7 | Very low | 44.8 | Very low | 125 Ų | 125 | 118.4 Ų | 118.4 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | -73.1 | 103 | 169 | 29.4 | -28.9 | 0 | 0 | 0 | 107.3 | S162 | P160-S162 VanDerWaalsContact C-N 3.35Å; P160-S162 PolarHBondContact O-N 3.02Å | ||
| 161 | T | 32 | Very low | 43.3 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | trans | -68.9 | 104.3 | 161.2 | -42.8 | 0 | 0 | 0 | 0 | 106.3 | N159 N163 | N159-T161 PolarHBondContact O-N 3.42Å; T161-N163 PolarHBondContact O-N 3.17Å | ||
| 162 | S | 45.6 | Very low | 41.6 | Very low | 90 Ų | 90 | 130 Ų | 130 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | trans | -36.5 | 123.7 | 164.4 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | P160 | P160-S162 VanDerWaalsContact C-N 3.35Å; P160-S162 PolarHBondContact O-N 3.02Å | ||
| 163 | N | 41.9 | Very low | 40.3 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | 159.7 | 103 | 128.1 | -74.9 | -15.6 | 0 | 0 | 0 | 107.2 | T161 | T161-N163 PolarHBondContact O-N 3.17Š| |||
| 164 | D | 34.1 | Very low | 39.3 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | -166.9 | 116.8 | 122.1 | -86.2 | -27.5 | 0 | 0 | 0 | 109.7 | |||||
| 165 | V | 39.9 | Very low | 38.9 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -90.1 | 136.5 | 177.8 | 164.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 166 | M | 37.1 | Very low | 38.4 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | 72.6 | 120.7 | 163.8 | -70.8 | 172.5 | -167.3 | 0 | 0 | 118.6 | ||||
| 167 | A | 34.5 | Very low | 38.2 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | -179.6 | 131.3 | 85.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G169 | A167-G169 PolarHBondContact O-N 3.01Å; A167-G169 VanDerWaalsContact O-N 3.16Å | |||
| 168 | S | 55.8 | Low | 38.4 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -57.7 | 109.9 | 159.5 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 169 | G | 34.3 | Very low | 39.6 | Very low | 53 Ų | 53 | 133.2 Ų | 133.2 | 55% | 0.546 | 75% | 0.753 | S | S | . | * | trans | -157.1 | 111.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | A167 R171 | A167-G169 PolarHBondContact O-N 3.01Å; A167-G169 VanDerWaalsContact O-N 3.16Å; G169-R171 PolarHBondContact O-N 2.67Å | ||
| 170 | W | 41 | Very low | 41.2 | Very low | 273 Ų | 273 | 131.9 Ų | 131.9 | 100% | 1.034 | 74% | 0.742 | S | S | * | * | trans | -46.4 | 100.8 | 164.2 | -78.5 | 53.3 | 0 | 0 | 0 | 109 | ||||
| 171 | R | 36.8 | Very low | 42.7 | Very low | 237 Ų | 237 | 128.2 Ų | 128.2 | 89% | 0.894 | 71% | 0.714 | S | S | * | * | trans | -121.1 | 112.4 | 173.8 | -85.7 | -168 | 165.5 | 160.5 | -1.1 | 108.2 | G169 | G169-R171 PolarHBondContact O-N 2.67Š| ||
| 172 | A | 34.7 | Very low | 44.6 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | trans | 6.7 | 124.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115 | S174 | A172-S174 PolarHBondContact O-N 3.48Š| ||
| 173 | S | 37.9 | Very low | 46.1 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 87% | 0.867 | 68% | 0.678 | S | S | * | * | trans | -44.6 | 77.3 | 165.2 | -44.8 | 0 | 0 | 0 | 0 | 112.7 | L175 | S173-L175 PolarHBondContact O-N 2.03Å; S173-L175 VanDerWaalsContact O-N 3.15Å | ||
| 174 | S | 34.9 | Very low | 47.7 | Very low | 107 Ų | 107 | 120 Ų | 120 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -84 | 76.3 | 160.3 | 64.4 | 0 | 0 | 0 | 0 | 106.1 | A172 H176 | A172-S174 PolarHBondContact O-N 3.48Å; S174-H176 PolarHBondContact O-N 3.38Å | ||
| 175 | L | 39.1 | Very low | 49.9 | Very low | 119 Ų | 119 | 112.8 Ų | 112.8 | 62% | 0.623 | 61% | 0.613 | S | S | * | * | trans | -59.1 | 88.4 | 164.1 | -103.3 | 166.7 | 0 | 0 | 0 | 107.4 | S173 F177 | S173-L175 PolarHBondContact O-N 2.03Å; S173-L175 VanDerWaalsContact O-N 3.15Å; L175-F177 VanDerWaalsContact C-N 3.27Å; L175-F177 HydrophobicContact CB-CD2 3.9Å; L175-F177 HydrophobicContact CB-CE2 3.65Å; L175-F177 HydrophobicContact CB-CZ 4.44Å; L175-F177 HydrophobicContact CD1-CE2 3.86Å; L175-F177 HydrophobicContact CD1-CZ 4Å; L175-F177 HydrophobicContact CD2-CE2 4.11Å; L175-F177 HydrophobicContact CD2-CZ 4.1Å; L175-F177 HydrophobicContact CG-CE2 4.09Å; L175-F177 HydrophobicContact CG-CZ 4.43Å; L175-F177 WeakPolarHBondContact O-CD2 3.4Å; L175-F177 PolarHBondContact O-N 3.28Å | ||
| 176 | H | 34.6 | Very low | 52 | Low | 136 Ų | 136 | 110.5 Ų | 110.5 | 63% | 0.63 | 60% | 0.596 | S | S | * | * | trans | -76.5 | 85.9 | 172.4 | -170.5 | -126.1 | 0 | 0 | 0 | 107.3 | S174 N178 | S174-H176 PolarHBondContact O-N 3.38Å; H176-N178 PolarHBondContact O-N 3.1Å | ||
| 177 | F | 39.9 | Very low | 54.2 | Low | 143 Ų | 143 | 103.7 Ų | 103.7 | 63% | 0.627 | 56% | 0.563 | S | S | * | * | trans | -69.3 | 63 | 173.5 | -77.8 | -82.8 | 0 | 0 | 0 | 111.2 | L175 L186 | L175-F177 VanDerWaalsContact C-N 3.27Å; L175-F177 HydrophobicContact CB-CD2 3.9Å; L175-F177 HydrophobicContact CB-CE2 3.65Å; L175-F177 HydrophobicContact CB-CZ 4.44Å; L175-F177 HydrophobicContact CD1-CE2 3.86Å; L175-F177 HydrophobicContact CD1-CZ 4Å; L175-F177 HydrophobicContact CD2-CE2 4.11Å; L175-F177 HydrophobicContact CD2-CZ 4.1Å; L175-F177 HydrophobicContact CG-CE2 4.09Å; L175-F177 HydrophobicContact CG-CZ 4.43Å; L175-F177 WeakPolarHBondContact O-CD2 3.4Å; L175-F177 PolarHBondContact O-N 3.28Å; F177-L186 HydrophobicContact CE1-CD2 3.86Å; F177-L186 HydrophobicContact CZ-CD2 4.34Å | ||
| 178 | N | 47.1 | Very low | 56.6 | Low | 132 Ų | 132 | 99.4 Ų | 99.4 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | trans | -142 | 24.9 | -177 | -144.9 | 10.6 | 0 | 0 | 0 | 115.4 | H176 | H176-N178 PolarHBondContact O-N 3.1Š| ||
| 179 | S | 60.8 | Low | 58.2 | Low | 64 Ų | 64 | 95 Ų | 95 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -137.5 | 129.2 | 167.3 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | E181 N182 | S179-E181 PolarHBondContact O-N 3.3Å; S179-N182 PolarHBondContact O-N 3Å |
| 180 | E | 66.2 | Low | 60.8 | Low | 120 Ų | 120 | 95.8 Ų | 95.8 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -49.2 | -32.2 | 179.7 | -71.7 | -75.9 | 92.1 | 0 | 0 | 111.7 | N182 K183 H184 | E180-N182 PolarHBondContact O-N 3.01Å; E180-K183 WeakPolarHBondContact O-CB 3.4Å; E180-K183 PolarHBondContact O-N 3.38Å; E180-K183 VanDerWaalsContact O-N 3.14Å; E180-H184 PolarHBondContact O-CD2 3.3Å; E180-H184 PolarHBondContact O-N 2.98Å |
| 181 | E | 67.5 | Low | 63.2 | Low | 48 Ų | 48 | 83 Ų | 83 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -52.7 | -47 | 174.3 | -174.7 | -174.7 | 159.1 | 0 | 0 | 113.8 | M115 C151 S179 K183 H184 R185 | M115-E181 HydrophobicContact SD-CG 4.27Å; C151-E181 PolarHBondContact N-OE1 3.33Å; S179-E181 PolarHBondContact O-N 3.3Å; E181-K183 VanDerWaalsContact C-N 3.27Å; E181-K183 PolarHBondContact O-N 3.2Å; E181-H184 PolarHBondContact O-N 2.88Å; E181-R185 WeakPolarHBondContact O-CG 3.47Å; E181-R185 PolarHBondContact O-N 3.12Å; E181-R185 VanDerWaalsContact O-N 3.07Å; E181-R185 IonicContact OE1-NH1 3.98Å |
| 182 | N | 72.4 | Confident | 65.7 | Low | 58 Ų | 58 | 71.9 Ų | 71.9 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.4 | -30.6 | -178.1 | -77.1 | -22.7 | 0 | 0 | 0 | 111.8 | S179 E180 L186 | S179-N182 PolarHBondContact O-N 3Å; E180-N182 PolarHBondContact O-N 3.01Å; N182-L186 VanDerWaalsContact O-CB 3.28Å; N182-L186 WeakPolarHBondContact O-CB 2.86Å; N182-L186 PolarHBondContact O-N 3.43Å |
| 183 | K | 76.8 | Confident | 68.4 | Low | 92 Ų | 92 | 70.6 Ų | 70.6 | 40% | 0.4 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.1 | -47.9 | 176.5 | 178.9 | -173.7 | 164.8 | -150.5 | 0 | 110.2 | E180 E181 L186 I187 | E180-K183 WeakPolarHBondContact O-CB 3.4Å; E180-K183 PolarHBondContact O-N 3.38Å; E180-K183 VanDerWaalsContact O-N 3.14Å; E181-K183 VanDerWaalsContact C-N 3.27Å; E181-K183 PolarHBondContact O-N 3.2Å; K183-L186 PolarHBondContact O-N 3.23Å; K183-I187 HydrophobicContact CG-CD1 3.77Å; K183-I187 WeakPolarHBondContact O-CB 3.32Å; K183-I187 VanDerWaalsContact O-CG1 3.22Å; K183-I187 WeakPolarHBondContact O-CG1 3.11Å; K183-I187 PolarHBondContact O-N 2.92Å |
| 184 | H | 76.3 | Confident | 71 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 178.1 | -63.1 | -73.8 | 0 | 0 | 0 | 112.7 | E36 M115 E180 E181 L186 I187 H188 | E36-H184 IonicContact OE1-CE1 3.14Å; E36-H184 PolarHBondContact OE1-CE1 3.49Å; E36-H184 IonicContact OE1-ND1 3.91Å; E36-H184 IonicContact OE2-CE1 3.21Å; E36-H184 PolarHBondContact OE2-CE1 3.07Å; E36-H184 IonicContact OE2-ND1 3.77Å; M115-H184 HydrophobicContact CE-CB 3.33Å; M115-H184 HydrophobicContact SD-CB 3.97Å; E180-H184 PolarHBondContact O-CD2 3.3Å; E180-H184 PolarHBondContact O-N 2.98Å; E181-H184 PolarHBondContact O-N 2.88Å; H184-L186 PolarHBondContact O-N 2.89Å; H184-I187 PolarHBondContact O-N 3.26Å; H184-H188 VanDerWaalsContact O-CB 3.29Å; H184-H188 WeakPolarHBondContact O-CB 3.2Å; H184-H188 PolarHBondContact O-N 2.94Å |
| 185 | R | 80.4 | Confident | 73.7 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 6% | 0.057 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 176.6 | -74 | 170.5 | 62.9 | -168.2 | -2.9 | 111.4 | P113 M115 W145 F146 N148 D149 E181 F189 | P113-R185 HydrophobicContact CG-CG 4.34Å; M115-R185 HydrophobicContact CE-CB 4.42Å; M115-R185 HydrophobicContact CE-CG 3.59Å; W145-R185 PolarHBondContact O-NE 3.45Å; W145-R185 PolarHBondContact O-NH2 3.41Å; W145-R185 VanDerWaalsContact O-NH2 3.16Å; F146-R185 VanDerWaalsContact C-NH2 3.29Å; F146-R185 PolarHBondContact O-NH2 3.45Å; N148-R185 PolarHBondContact O-NH1 3.14Å; N148-R185 PolarHBondContact O-NH2 3.48Å; D149-R185 PolarHBondContact O-NH1 3.11Å; E181-R185 WeakPolarHBondContact O-CG 3.47Å; E181-R185 PolarHBondContact O-N 3.12Å; E181-R185 VanDerWaalsContact O-N 3.07Å; E181-R185 IonicContact OE1-NH1 3.98Å; R185-F189 WeakPolarHBondContact O-CB 3.29Å; R185-F189 PolarHBondContact O-N 2.96Å |
| 186 | L | 82.9 | Confident | 76.2 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 179.5 | -175.5 | 66.2 | 0 | 0 | 0 | 112.1 | F177 N182 K183 H184 S190 | F177-L186 HydrophobicContact CE1-CD2 3.86Å; F177-L186 HydrophobicContact CZ-CD2 4.34Å; N182-L186 VanDerWaalsContact O-CB 3.28Å; N182-L186 WeakPolarHBondContact O-CB 2.86Å; N182-L186 PolarHBondContact O-N 3.43Å; K183-L186 PolarHBondContact O-N 3.23Å; H184-L186 PolarHBondContact O-N 2.89Å; L186-S190 WeakPolarHBondContact O-CB 3.07Å; L186-S190 PolarHBondContact O-N 3.39Å |
| 187 | I | 84.6 | Confident | 79.1 | Confident | 35 Ų | 35 | 53.7 Ų | 53.7 | 18% | 0.179 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -49 | 177.6 | -70 | 167.2 | 0 | 0 | 0 | 110.2 | I28 V32 K183 H184 S190 V191 | I28-I187 HydrophobicContact CG2-CG2 4.21Å; V32-I187 HydrophobicContact CG2-CD1 4.4Å; K183-I187 HydrophobicContact CG-CD1 3.77Å; K183-I187 WeakPolarHBondContact O-CB 3.32Å; K183-I187 VanDerWaalsContact O-CG1 3.22Å; K183-I187 WeakPolarHBondContact O-CG1 3.11Å; K183-I187 PolarHBondContact O-N 2.92Å; H184-I187 PolarHBondContact O-N 3.26Å; I187-S190 PolarHBondContact O-N 3.45Å; I187-V191 HydrophobicContact CG2-CG2 4.27Å; I187-V191 WeakPolarHBondContact O-CB 3.45Å; I187-V191 VanDerWaalsContact O-CG2 3.28Å; I187-V191 WeakPolarHBondContact O-CG2 3.47Å; I187-V191 PolarHBondContact O-N 3.49Å |
| 188 | H | 85.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.3 | -54.3 | 178.5 | 179.1 | -78.5 | 0 | 0 | 0 | 111.3 | S46 A108 P113 W145 H184 S190 V191 F192 | S46-H188 PolarHBondContact OG-NE2 3.38Å; A108-H188 PolarHBondContact O-CE1 2.87Å; P113-H188 HydrophobicContact CB-CB 4.27Å; W145-H188 AromaticContact CH2-ND1 3.61Å; H184-H188 VanDerWaalsContact O-CB 3.29Å; H184-H188 WeakPolarHBondContact O-CB 3.2Å; H184-H188 PolarHBondContact O-N 2.94Å; H188-S190 PolarHBondContact O-N 3.18Å; H188-V191 PolarHBondContact O-N 3.46Å; H188-F192 AromaticContact CD2-CD2 3.73Å; H188-F192 AromaticContact CD2-CE2 3.44Å; H188-F192 VanDerWaalsContact CD2-CE2 3.44Å; H188-F192 WeakPolarHBondContact CD2-CE2 3.43Å; H188-F192 AromaticContact CE1-CD2 3.63Å; H188-F192 AromaticContact CE1-CE2 3.96Å; H188-F192 AromaticContact CG-CD2 3.92Å; H188-F192 AromaticContact ND1-CD2 3.88Å; H188-F192 AromaticContact NE2-CD2 3.53Å; H188-F192 AromaticContact NE2-CE2 3.36Å; H188-F192 WeakPolarHBondContact NE2-CE2 3.44Å; H188-F192 VanDerWaalsContact O-CD2 3.25Å; H188-F192 WeakPolarHBondContact O-CD2 3.25Å; H188-F192 PolarHBondContact O-N 2.86Å; H188-F192 VanDerWaalsContact O-N 3.11Å |
| 189 | F | 87.9 | Confident | 83.6 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.2 | -49.7 | 178.1 | -179 | -102.1 | 0 | 0 | 0 | 112 | L109 L143 W145 F146 R185 V191 L193 | L109-F189 HydrophobicContact CD2-CD2 3.76Å; L109-F189 HydrophobicContact CD2-CE2 4.13Å; L143-F189 HydrophobicContact CD1-CE2 3.94Å; L143-F189 HydrophobicContact CD2-CD2 4.44Å; L143-F189 HydrophobicContact CD2-CE2 4.26Å; W145-F189 HydrophobicContact CH2-CB 3.91Å; W145-F189 HydrophobicContact CH2-CD2 4.11Å; W145-F189 HydrophobicContact CZ2-CD2 4.38Å; F146-F189 HydrophobicContact CD2-CB 3.81Å; F146-F189 HydrophobicContact CD2-CD1 4.43Å; F146-F189 HydrophobicContact CD2-CD2 4.04Å; F146-F189 AromaticContact CD2-CG 3.83Å; F146-F189 HydrophobicContact CD2-CG 3.83Å; F146-F189 HydrophobicContact CE1-CD1 4.4Å; F146-F189 HydrophobicContact CE1-CE1 4.36Å; F146-F189 HydrophobicContact CE2-CB 3.67Å; F146-F189 AromaticContact CE2-CD1 3.83Å; F146-F189 HydrophobicContact CE2-CD1 3.83Å; F146-F189 HydrophobicContact CE2-CD2 4.26Å; F146-F189 AromaticContact CE2-CG 3.65Å; F146-F189 HydrophobicContact CE2-CG 3.65Å; F146-F189 HydrophobicContact CG-CD2 4.18Å; F146-F189 HydrophobicContact CG-CG 4.38Å; F146-F189 AromaticContact CZ-CD1 3.81Å; F146-F189 HydrophobicContact CZ-CD1 3.81Å; F146-F189 HydrophobicContact CZ-CE1 4.15Å; F146-F189 HydrophobicContact CZ-CG 4.05Å; R185-F189 WeakPolarHBondContact O-CB 3.29Å; R185-F189 PolarHBondContact O-N 2.96Å; F189-V191 PolarHBondContact O-N 3.37Å; F189-L193 HydrophobicContact CD1-CD2 4.47Å; F189-L193 HydrophobicContact CE1-CD2 3.66Å; F189-L193 HydrophobicContact CZ-CD2 3.74Å; F189-L193 WeakPolarHBondContact O-CB 3.08Å; F189-L193 PolarHBondContact O-N 3Å |
| 190 | S | 89.9 | Confident | 85.2 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 48% | 0.476 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.1 | -44.7 | -177 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | L186 I187 H188 G194 | L186-S190 WeakPolarHBondContact O-CB 3.07Å; L186-S190 PolarHBondContact O-N 3.39Å; I187-S190 PolarHBondContact O-N 3.45Å; H188-S190 PolarHBondContact O-N 3.18Å; S190-G194 PolarHBondContact O-N 3.36Å |
| 191 | V | 89.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.7 | -50.7 | -178.5 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | L25 I28 P29 I187 H188 F189 G194 L195 | L25-V191 WeakPolarHBondContact O-CG1 3.44Å; I28-V191 HydrophobicContact CB-CG2 4.04Å; I28-V191 HydrophobicContact CD1-CG2 4.42Å; I28-V191 HydrophobicContact CG2-CG2 3.85Å; P29-V191 HydrophobicContact CG-CB 4.19Å; P29-V191 HydrophobicContact CG-CG1 3.64Å; P29-V191 HydrophobicContact CG-CG2 4.11Å; I187-V191 HydrophobicContact CG2-CG2 4.27Å; I187-V191 WeakPolarHBondContact O-CB 3.45Å; I187-V191 VanDerWaalsContact O-CG2 3.28Å; I187-V191 WeakPolarHBondContact O-CG2 3.47Å; I187-V191 PolarHBondContact O-N 3.49Å; H188-V191 PolarHBondContact O-N 3.46Å; F189-V191 PolarHBondContact O-N 3.37Å; V191-G194 PolarHBondContact O-N 3.27Å; V191-L195 HydrophobicContact CG1-CD1 3.89Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CB 3.32Å; V191-L195 WeakPolarHBondContact O-CG 3.36Å; V191-L195 PolarHBondContact O-N 2.94Å |
| 192 | F | 89.8 | Confident | 87.5 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.9 | -34 | -177.1 | -71.9 | -68.8 | 0 | 0 | 0 | 112.4 | F48 A108 L109 H188 L195 L196 | F48-F192 HydrophobicContact CB-CE1 4.26Å; F48-F192 HydrophobicContact CB-CZ 4.15Å; A108-F192 HydrophobicContact CB-CB 4.35Å; A108-F192 HydrophobicContact CB-CD1 3.41Å; A108-F192 VanDerWaalsContact CB-CD1 3.41Å; A108-F192 HydrophobicContact CB-CD2 3.85Å; A108-F192 HydrophobicContact CB-CE1 3.5Å; A108-F192 VanDerWaalsContact CB-CE1 3.5Å; A108-F192 HydrophobicContact CB-CE2 3.96Å; A108-F192 HydrophobicContact CB-CG 3.6Å; A108-F192 HydrophobicContact CB-CZ 3.78Å; L109-F192 HydrophobicContact CD1-CB 4.46Å; L109-F192 HydrophobicContact CD2-CB 4.08Å; L109-F192 HydrophobicContact CG-CB 3.85Å; H188-F192 AromaticContact CD2-CD2 3.73Å; H188-F192 AromaticContact CD2-CE2 3.44Å; H188-F192 VanDerWaalsContact CD2-CE2 3.44Å; H188-F192 WeakPolarHBondContact CD2-CE2 3.43Å; H188-F192 AromaticContact CE1-CD2 3.63Å; H188-F192 AromaticContact CE1-CE2 3.96Å; H188-F192 AromaticContact CG-CD2 3.92Å; H188-F192 AromaticContact ND1-CD2 3.88Å; H188-F192 AromaticContact NE2-CD2 3.53Å; H188-F192 AromaticContact NE2-CE2 3.36Å; H188-F192 WeakPolarHBondContact NE2-CE2 3.44Å; H188-F192 VanDerWaalsContact O-CD2 3.25Å; H188-F192 WeakPolarHBondContact O-CD2 3.25Å; H188-F192 PolarHBondContact O-N 2.86Å; H188-F192 VanDerWaalsContact O-N 3.11Å; F192-L195 HydrophobicContact CD1-CD1 4.28Å; F192-L195 PolarHBondContact O-N 2.98Å; F192-L196 WeakPolarHBondContact O-CB 3.16Å; F192-L196 PolarHBondContact O-N 3.01Å |
| 193 | L | 92.3 | Very high | 88.3 | Confident | 62 Ų | 62 | 35 Ų | 35 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 170 | -178.2 | 62.6 | 0 | 0 | 0 | 111.5 | F189 L196 L197 | F189-L193 HydrophobicContact CD1-CD2 4.47Å; F189-L193 HydrophobicContact CE1-CD2 3.66Å; F189-L193 HydrophobicContact CZ-CD2 3.74Å; F189-L193 WeakPolarHBondContact O-CB 3.08Å; F189-L193 PolarHBondContact O-N 3Å; L193-L196 PolarHBondContact O-N 3.49Å; L193-L197 HydrophobicContact CG-CD1 4.38Å; L193-L197 WeakPolarHBondContact O-CG 3.35Å; L193-L197 PolarHBondContact O-N 2.71Å |
| 194 | G | 92.8 | Very high | 89 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S190 V191 L196 L197 V198 | S190-G194 PolarHBondContact O-N 3.36Å; V191-G194 PolarHBondContact O-N 3.27Å; G194-L196 VanDerWaalsContact C-N 3.34Å; G194-L196 PolarHBondContact O-N 3.12Å; G194-L197 PolarHBondContact O-N 3.4Å; G194-V198 WeakPolarHBondContact O-CG2 3.31Å; G194-V198 PolarHBondContact O-N 2.71Å |
| 195 | L | 91.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 176.8 | -73.7 | 170.3 | 0 | 0 | 0 | 111.9 | G22 L25 P53 S105 V191 F192 V198 G199 | G22-L195 WeakPolarHBondContact O-CD2 3.2Å; L25-L195 HydrophobicContact CB-CD2 3.75Å; L25-L195 HydrophobicContact CB-CG 3.97Å; L25-L195 HydrophobicContact CD1-CD2 4.43Å; P53-L195 HydrophobicContact CG-CD1 4.16Å; S105-L195 VanDerWaalsContact OG-CB 3.3Å; S105-L195 WeakPolarHBondContact OG-CB 3.4Å; V191-L195 HydrophobicContact CG1-CD1 3.89Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CB 3.32Å; V191-L195 WeakPolarHBondContact O-CG 3.36Å; V191-L195 PolarHBondContact O-N 2.94Å; F192-L195 HydrophobicContact CD1-CD1 4.28Å; F192-L195 PolarHBondContact O-N 2.98Å; L195-V198 PolarHBondContact O-N 2.99Å; L195-G199 PolarHBondContact O-N 3.01Å |
| 196 | L | 92.3 | Very high | 89.8 | Confident | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 174.1 | 179.4 | 57.6 | 0 | 0 | 0 | 111.4 | M102 I106 L109 F192 L193 G194 G199 I200 | M102-L196 HydrophobicContact CB-CD1 3.89Å; M102-L196 HydrophobicContact CG-CD1 3.91Å; M102-L196 HydrophobicContact SD-CD1 4.48Å; I106-L196 HydrophobicContact CD1-CD1 3.88Å; I106-L196 HydrophobicContact CG1-CD1 3.69Å; I106-L196 HydrophobicContact CG1-CD2 3.89Å; I106-L196 HydrophobicContact CG1-CG 4.43Å; L109-L196 HydrophobicContact CD1-CD2 4Å; F192-L196 WeakPolarHBondContact O-CB 3.16Å; F192-L196 PolarHBondContact O-N 3.01Å; L193-L196 PolarHBondContact O-N 3.49Å; G194-L196 VanDerWaalsContact C-N 3.34Å; G194-L196 PolarHBondContact O-N 3.12Å; L196-G199 PolarHBondContact O-N 3.31Å; L196-I200 HydrophobicContact CD1-CD1 4.34Å; L196-I200 HydrophobicContact CG-CD1 4.2Å; L196-I200 VanDerWaalsContact O-CG1 3.31Å; L196-I200 WeakPolarHBondContact O-CG1 3.34Å; L196-I200 PolarHBondContact O-N 3.37Å |
| 197 | L | 93.7 | Very high | 90 | Very high | 95 Ų | 95 | 36.5 Ų | 36.5 | 50% | 0.497 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 177.8 | -71 | 173.6 | 0 | 0 | 0 | 112.3 | L193 G194 I200 L201 | L193-L197 HydrophobicContact CG-CD1 4.38Å; L193-L197 WeakPolarHBondContact O-CG 3.35Å; L193-L197 PolarHBondContact O-N 2.71Å; G194-L197 PolarHBondContact O-N 3.4Å; L197-I200 PolarHBondContact O-N 2.85Å; L197-L201 WeakPolarHBondContact O-CG 3.44Å; L197-L201 PolarHBondContact O-N 3.06Å |
| 198 | V | 92.2 | Very high | 90 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 174.2 | 168.7 | 0 | 0 | 0 | 0 | 110.3 | L18 L21 L25 G194 L195 I200 L201 E202 | L18-V198 HydrophobicContact CB-CG1 4.32Å; L18-V198 HydrophobicContact CD2-CG2 4.49Å; L18-V198 WeakPolarHBondContact O-CG1 3.46Å; L21-V198 HydrophobicContact CB-CG2 4.45Å; L21-V198 HydrophobicContact CD2-CG2 3.77Å; L21-V198 HydrophobicContact CG-CG2 4.01Å; L25-V198 HydrophobicContact CD1-CG2 3.99Å; G194-V198 WeakPolarHBondContact O-CG2 3.31Å; G194-V198 PolarHBondContact O-N 2.71Å; L195-V198 PolarHBondContact O-N 2.99Å; V198-I200 VanDerWaalsContact C-N 3.34Å; V198-I200 PolarHBondContact O-N 3.17Å; V198-L201 PolarHBondContact O-N 3.38Å; V198-L201 VanDerWaalsContact O-N 3.15Å; V198-E202 HydrophobicContact CG1-CG 4.23Å; V198-E202 WeakPolarHBondContact O-CG 3.36Å; V198-E202 PolarHBondContact O-N 3.44Å |
| 199 | G | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L195 L196 E202 V203 | L195-G199 PolarHBondContact O-N 3.01Å; L196-G199 PolarHBondContact O-N 3.31Å; G199-E202 PolarHBondContact O-N 3.16Å; G199-V203 WeakPolarHBondContact O-CG2 2.92Å; G199-V203 PolarHBondContact O-N 3.24Å |
| 200 | I | 92.8 | Very high | 89.6 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 174.5 | -68.5 | 165.9 | 0 | 0 | 0 | 110.5 | M102 L196 L197 V198 E202 V203 L204 | M102-I200 HydrophobicContact CG-CG1 4.45Å; M102-I200 HydrophobicContact SD-CB 4.26Å; M102-I200 HydrophobicContact SD-CG1 3.46Å; M102-I200 WeakPolarHBondContact SD-CG1 3.32Å; L196-I200 HydrophobicContact CD1-CD1 4.34Å; L196-I200 HydrophobicContact CG-CD1 4.2Å; L196-I200 VanDerWaalsContact O-CG1 3.31Å; L196-I200 WeakPolarHBondContact O-CG1 3.34Å; L196-I200 PolarHBondContact O-N 3.37Å; L197-I200 PolarHBondContact O-N 2.85Å; V198-I200 VanDerWaalsContact C-N 3.34Å; V198-I200 PolarHBondContact O-N 3.17Å; I200-E202 PolarHBondContact O-N 2.01Å; I200-V203 PolarHBondContact O-N 3.48Å; I200-L204 HydrophobicContact CG2-CD1 4.15Å; I200-L204 WeakPolarHBondContact O-CG 3.04Å; I200-L204 PolarHBondContact O-N 3.42Å |
| 201 | L | 92.3 | Very high | 89.3 | Confident | 72 Ų | 72 | 39.5 Ų | 39.5 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 179.3 | -69.7 | 172.3 | 0 | 0 | 0 | 111.6 | L18 L197 V198 V203 L204 F205 | L18-L201 HydrophobicContact CD1-CB 3.66Å; L18-L201 HydrophobicContact CD2-CB 4.01Å; L18-L201 HydrophobicContact CD2-CD1 3.8Å; L197-L201 WeakPolarHBondContact O-CG 3.44Å; L197-L201 PolarHBondContact O-N 3.06Å; V198-L201 PolarHBondContact O-N 3.38Å; V198-L201 VanDerWaalsContact O-N 3.15Å; L201-V203 PolarHBondContact O-N 3.01Å; L201-L204 PolarHBondContact O-N 3.38Å; L201-F205 HydrophobicContact CB-CD2 4.28Å; L201-F205 HydrophobicContact CB-CE2 4.31Å; L201-F205 HydrophobicContact CD2-CE2 4.34Å; L201-F205 WeakPolarHBondContact O-CB 3.17Å; L201-F205 WeakPolarHBondContact O-CD2 3.49Å; L201-F205 PolarHBondContact O-N 3.24Å |
| 202 | E | 89.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 176.1 | -74.1 | 176.3 | 162.1 | 0 | 0 | 112.3 | L15 L18 L19 A98 V198 G199 I200 G206 | L15-E202 HydrophobicContact CD2-CB 4.39Å; L15-E202 HydrophobicContact CD2-CG 4.39Å; L18-E202 HydrophobicContact CB-CG 3.97Å; L18-E202 HydrophobicContact CD1-CG 4.34Å; L19-E202 WeakPolarHBondContact CD2-OE1 3.39Å; A98-E202 HydrophobicContact CB-CB 3.7Å; V198-E202 HydrophobicContact CG1-CG 4.23Å; V198-E202 WeakPolarHBondContact O-CG 3.36Å; V198-E202 PolarHBondContact O-N 3.44Å; G199-E202 PolarHBondContact O-N 3.16Å; I200-E202 PolarHBondContact O-N 2.01Å; E202-G206 WeakPolarHBondContact O-CA 3.28Å; E202-G206 PolarHBondContact O-N 3.06Å |
| 203 | V | 90.5 | Very high | 87.9 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 173.9 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | V95 A98 V99 M102 G199 I200 L201 G206 L207 | V95-V203 HydrophobicContact CG1-CG2 4.43Å; A98-V203 HydrophobicContact CB-CG2 3.68Å; V99-V203 HydrophobicContact CG2-CG2 4.08Å; M102-V203 HydrophobicContact CE-CG2 3.62Å; G199-V203 WeakPolarHBondContact O-CG2 2.92Å; G199-V203 PolarHBondContact O-N 3.24Å; I200-V203 PolarHBondContact O-N 3.48Å; L201-V203 PolarHBondContact O-N 3.01Å; V203-G206 PolarHBondContact O-N 3.07Å; V203-L207 HydrophobicContact CG1-CD1 3.7Å; V203-L207 HydrophobicContact CG1-CG 4.15Å; V203-L207 WeakPolarHBondContact O-CB 3.46Å; V203-L207 VanDerWaalsContact O-CG 3.22Å; V203-L207 WeakPolarHBondContact O-CG 3.06Å; V203-L207 PolarHBondContact O-N 2.94Å |
| 204 | L | 91.4 | Very high | 87 | Confident | 99 Ų | 99 | 45.2 Ų | 45.2 | 52% | 0.518 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.6 | -48.1 | -179.3 | -69.8 | 173.4 | 0 | 0 | 0 | 112 | I200 L201 S208 | I200-L204 HydrophobicContact CG2-CD1 4.15Å; I200-L204 WeakPolarHBondContact O-CG 3.04Å; I200-L204 PolarHBondContact O-N 3.42Å; L201-L204 PolarHBondContact O-N 3.38Å; L204-S208 WeakPolarHBondContact O-CB 3.33Å; L204-S208 PolarHBondContact O-N 2.87Å; L204-S208 PolarHBondContact O-OG 2.94Å |
| 205 | F | 87.2 | Confident | 86.1 | Confident | 65 Ų | 65 | 48.9 Ų | 48.9 | 29% | 0.285 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | 179.2 | -77.7 | -57.2 | 0 | 0 | 0 | 112.1 | N11 L15 L18 L201 S208 Q209 | N11-F205 PolarHBondContact ND2-O 3.06Å; N11-F205 WeakPolarHBondContact OD1-CB 3.1Å; N11-F205 WeakPolarHBondContact OD1-CD1 3.42Å; N11-F205 WeakPolarHBondContact OD1-CG 3.29Å; N11-F205 PolarHBondContact OD1-O 3.43Å; L15-F205 HydrophobicContact CD1-CB 4.19Å; L15-F205 HydrophobicContact CD2-CB 3.77Å; L15-F205 HydrophobicContact CG-CB 3.75Å; L18-F205 HydrophobicContact CD1-CD2 3.47Å; L18-F205 VanDerWaalsContact CD1-CD2 3.47Å; L18-F205 HydrophobicContact CD1-CE2 3.8Å; L201-F205 HydrophobicContact CB-CD2 4.28Å; L201-F205 HydrophobicContact CB-CE2 4.31Å; L201-F205 HydrophobicContact CD2-CE2 4.34Å; L201-F205 WeakPolarHBondContact O-CB 3.17Å; L201-F205 WeakPolarHBondContact O-CD2 3.49Å; L201-F205 PolarHBondContact O-N 3.24Å; F205-S208 WeakPolarHBondContact O-CB 3.15Å; F205-S208 PolarHBondContact O-N 3.39Å; F205-Q209 PolarHBondContact O-N 3Å |
| 206 | G | 85.1 | Confident | 85 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -50.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S91 E202 V203 S208 Q209 I210 | S91-G206 PolarHBondContact OG-O 2.83Å; E202-G206 WeakPolarHBondContact O-CA 3.28Å; E202-G206 PolarHBondContact O-N 3.06Å; V203-G206 PolarHBondContact O-N 3.07Å; G206-S208 VanDerWaalsContact C-N 3.27Å; G206-S208 PolarHBondContact O-N 3.3Å; G206-Q209 WeakPolarHBondContact O-CB 3.42Å; G206-Q209 PolarHBondContact O-N 3.16Å; G206-I210 WeakPolarHBondContact O-CG1 3.25Å; G206-I210 PolarHBondContact O-N 3.36Å |
| 207 | L | 87.8 | Confident | 83.7 | Confident | 84 Ų | 84 | 52.2 Ų | 52.2 | 44% | 0.44 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 175.4 | -71.1 | 175.9 | 0 | 0 | 0 | 111.7 | V95 V203 Q209 I210 V211 | V95-L207 HydrophobicContact CG2-CD2 4.48Å; V95-L207 HydrophobicContact CG2-CG 4.45Å; V203-L207 HydrophobicContact CG1-CD1 3.7Å; V203-L207 HydrophobicContact CG1-CG 4.15Å; V203-L207 WeakPolarHBondContact O-CB 3.46Å; V203-L207 VanDerWaalsContact O-CG 3.22Å; V203-L207 WeakPolarHBondContact O-CG 3.06Å; V203-L207 PolarHBondContact O-N 2.94Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3.33Å; L207-I210 HydrophobicContact CD2-CD1 4.41Å; L207-I210 PolarHBondContact O-N 3.3Å; L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 3.16Å |
| 208 | S | 84.9 | Confident | 82.3 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.5 | -59 | 0 | 0 | 0 | 0 | 111.6 | L204 F205 G206 V211 I212 | L204-S208 WeakPolarHBondContact O-CB 3.33Å; L204-S208 PolarHBondContact O-N 2.87Å; L204-S208 PolarHBondContact O-OG 2.94Å; F205-S208 WeakPolarHBondContact O-CB 3.15Å; F205-S208 PolarHBondContact O-N 3.39Å; G206-S208 VanDerWaalsContact C-N 3.27Å; G206-S208 PolarHBondContact O-N 3.3Å; S208-V211 PolarHBondContact O-N 2.98Å; S208-I212 WeakPolarHBondContact O-CB 3.43Å; S208-I212 WeakPolarHBondContact O-CD1 3.45Å; S208-I212 WeakPolarHBondContact O-CG1 3.48Å; S208-I212 PolarHBondContact O-N 3.06Å |
| 209 | Q | 82.2 | Confident | 80.8 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | 177.3 | -175.5 | 168.7 | -20.1 | 0 | 0 | 112.4 | N11 L15 S87 F205 G206 L207 G213 | N11-Q209 PolarHBondContact ND2-N 3.05Å; L15-Q209 VanDerWaalsContact CD1-OE1 3.31Å; S87-Q209 PolarHBondContact OG-NE2 3.22Å; S87-Q209 VanDerWaalsContact OG-NE2 3.13Å; F205-Q209 PolarHBondContact O-N 3Å; G206-Q209 WeakPolarHBondContact O-CB 3.42Å; G206-Q209 PolarHBondContact O-N 3.16Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3.33Å; Q209-G213 PolarHBondContact O-N 2.98Å |
| 210 | I | 82.6 | Confident | 79 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 21% | 0.205 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 175 | -66 | 165.7 | 0 | 0 | 0 | 110.5 | S91 V92 V95 G206 L207 I212 G213 F214 | S91-I210 WeakPolarHBondContact OG-CG1 3.28Å; V92-I210 HydrophobicContact CG2-CD1 3.82Å; V92-I210 HydrophobicContact CG2-CG1 4.34Å; V95-I210 HydrophobicContact CG2-CD1 4.19Å; G206-I210 WeakPolarHBondContact O-CG1 3.25Å; G206-I210 PolarHBondContact O-N 3.36Å; L207-I210 HydrophobicContact CD2-CD1 4.41Å; L207-I210 PolarHBondContact O-N 3.3Å; I210-I212 VanDerWaalsContact C-N 3.34Å; I210-I212 PolarHBondContact O-N 3.35Å; I210-G213 PolarHBondContact O-N 3.18Å; I210-F214 WeakPolarHBondContact O-CB 3.28Å; I210-F214 PolarHBondContact O-N 3.2Å |
| 211 | V | 83.3 | Confident | 76.7 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 179.9 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L207 S208 F214 L215 | L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 3.16Å; S208-V211 PolarHBondContact O-N 2.98Å; V211-F214 PolarHBondContact O-N 3.38Å; V211-L215 HydrophobicContact CG1-CD1 3.9Å; V211-L215 HydrophobicContact CG1-CG 4.44Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 VanDerWaalsContact O-CG 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.22Å; V211-L215 PolarHBondContact O-N 3.14Å |
| 212 | I | 77.6 | Confident | 74.3 | Confident | 34 Ų | 34 | 61.8 Ų | 61.8 | 17% | 0.174 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.6 | -38.7 | -178.6 | -62.3 | 159.1 | 0 | 0 | 0 | 111.3 | W7 T8 S208 I210 F214 L215 G216 | W7-I212 HydrophobicContact CG-CD1 4.22Å; T8-I212 HydrophobicContact CG2-CB 4.48Å; T8-I212 HydrophobicContact CG2-CG2 3.49Å; T8-I212 VanDerWaalsContact CG2-CG2 3.49Å; S208-I212 WeakPolarHBondContact O-CB 3.43Å; S208-I212 WeakPolarHBondContact O-CD1 3.45Å; S208-I212 WeakPolarHBondContact O-CG1 3.48Å; S208-I212 PolarHBondContact O-N 3.06Å; I210-I212 VanDerWaalsContact C-N 3.34Å; I210-I212 PolarHBondContact O-N 3.35Å; I212-F214 VanDerWaalsContact C-N 3.32Å; I212-F214 PolarHBondContact O-N 3.36Å; I212-L215 PolarHBondContact O-N 3.35Å; I212-G216 PolarHBondContact O-N 3.12Å |
| 213 | G | 73.1 | Confident | 72.2 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q209 I210 G216 C217 | Q209-G213 PolarHBondContact O-N 2.98Å; I210-G213 PolarHBondContact O-N 3.18Å; G213-G216 PolarHBondContact O-N 2.95Å; G213-C217 PolarHBondContact O-N 3.21Å; G213-C217 PolarHBondContact O-SG 3.14Å; G213-C217 VanDerWaalsContact O-SG 3.41Å |
| 214 | F | 74.6 | Confident | 69.9 | Low | 128 Ų | 128 | 80.8 Ų | 80.8 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.2 | -47 | 176.4 | -173.9 | -105.6 | 0 | 0 | 0 | 112.3 | I210 V211 I212 G216 C217 L218 | I210-F214 WeakPolarHBondContact O-CB 3.28Å; I210-F214 PolarHBondContact O-N 3.2Å; V211-F214 PolarHBondContact O-N 3.38Å; I212-F214 VanDerWaalsContact C-N 3.32Å; I212-F214 PolarHBondContact O-N 3.36Å; F214-G216 VanDerWaalsContact C-N 3.3Å; F214-G216 PolarHBondContact O-N 3.09Å; F214-C217 WeakPolarHBondContact O-CB 3.46Å; F214-C217 PolarHBondContact O-N 3.09Å; F214-L218 HydrophobicContact CD1-CD1 3.77Å; F214-L218 HydrophobicContact CD1-CG 4.41Å; F214-L218 HydrophobicContact CE1-CD1 3.35Å; F214-L218 HydrophobicContact CE1-CG 4.12Å; F214-L218 HydrophobicContact CZ-CD1 3.91Å; F214-L218 HydrophobicContact CZ-CD2 4.47Å; F214-L218 HydrophobicContact CZ-CG 4.29Å; F214-L218 WeakPolarHBondContact O-CG 3.37Å; F214-L218 PolarHBondContact O-N 2.84Å |
| 215 | L | 73.9 | Confident | 67.7 | Low | 93 Ų | 93 | 86.7 Ų | 86.7 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 174.6 | -71.8 | 171.2 | 0 | 0 | 0 | 111.8 | V211 I212 L218 C219 | V211-L215 HydrophobicContact CG1-CD1 3.9Å; V211-L215 HydrophobicContact CG1-CG 4.44Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 VanDerWaalsContact O-CG 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.22Å; V211-L215 PolarHBondContact O-N 3.14Å; I212-L215 PolarHBondContact O-N 3.35Å; L215-L218 PolarHBondContact O-N 3.17Å; L215-C219 VanDerWaalsContact O-CB 3.31Å; L215-C219 WeakPolarHBondContact O-CB 3.48Å; L215-C219 PolarHBondContact O-N 3.27Å; L215-C219 PolarHBondContact O-SG 2.79Å |
| 216 | G | 67 | Low | 65.6 | Low | 36 Ų | 36 | 87.9 Ų | 87.9 | 37% | 0.371 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I212 G213 F214 G220 | I212-G216 PolarHBondContact O-N 3.12Å; G213-G216 PolarHBondContact O-N 2.95Å; F214-G216 VanDerWaalsContact C-N 3.3Å; F214-G216 PolarHBondContact O-N 3.09Å; G216-G220 WeakPolarHBondContact O-CA 3.29Å; G216-G220 PolarHBondContact O-N 3.03Å |
| 217 | C | 64.6 | Low | 63.5 | Low | 54 Ų | 54 | 97.6 Ų | 97.6 | 37% | 0.365 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 172.8 | -76.9 | 0 | 0 | 0 | 0 | 112.1 | G213 F214 G220 V221 | G213-C217 PolarHBondContact O-N 3.21Å; G213-C217 PolarHBondContact O-SG 3.14Å; G213-C217 VanDerWaalsContact O-SG 3.41Å; F214-C217 WeakPolarHBondContact O-CB 3.46Å; F214-C217 PolarHBondContact O-N 3.09Å; C217-G220 PolarHBondContact O-N 3.17Å; C217-V221 VanDerWaalsContact O-CG2 3.3Å; C217-V221 WeakPolarHBondContact O-CG2 3.28Å; C217-V221 PolarHBondContact O-N 3.45Å |
| 218 | L | 65.6 | Low | 61.2 | Low | 96 Ų | 96 | 100.3 Ų | 100.3 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 178.9 | -71.2 | 175.7 | 0 | 0 | 0 | 112.4 | F214 L215 V221 S222 | F214-L218 HydrophobicContact CD1-CD1 3.77Å; F214-L218 HydrophobicContact CD1-CG 4.41Å; F214-L218 HydrophobicContact CE1-CD1 3.35Å; F214-L218 HydrophobicContact CE1-CG 4.12Å; F214-L218 HydrophobicContact CZ-CD1 3.91Å; F214-L218 HydrophobicContact CZ-CD2 4.47Å; F214-L218 HydrophobicContact CZ-CG 4.29Å; F214-L218 WeakPolarHBondContact O-CG 3.37Å; F214-L218 PolarHBondContact O-N 2.84Å; L215-L218 PolarHBondContact O-N 3.17Å; L218-V221 PolarHBondContact O-N 2.65Å; L218-S222 PolarHBondContact O-N 3.15Å |
| 219 | C | 59.3 | Low | 58.9 | Low | 90 Ų | 90 | 108.3 Ų | 108.3 | 61% | 0.608 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.7 | -33.3 | 177.4 | -74.8 | 0 | 0 | 0 | 0 | 112.6 | L215 V221 S222 K223 | L215-C219 VanDerWaalsContact O-CB 3.31Å; L215-C219 WeakPolarHBondContact O-CB 3.48Å; L215-C219 PolarHBondContact O-N 3.27Å; L215-C219 PolarHBondContact O-SG 2.79Å; C219-V221 VanDerWaalsContact C-N 3.31Å; C219-V221 PolarHBondContact O-N 3Å; C219-S222 WeakPolarHBondContact O-CB 3.41Å; C219-S222 PolarHBondContact O-N 2.89Å; C219-S222 VanDerWaalsContact O-N 3.17Å; C219-K223 PolarHBondContact O-N 3.03Å |
| 220 | G | 54.2 | Low | 57.7 | Low | 46 Ų | 46 | 111.8 Ų | 111.8 | 47% | 0.474 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.9 | -31.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G216 C217 S222 K223 | G216-G220 WeakPolarHBondContact O-CA 3.29Å; G216-G220 PolarHBondContact O-N 3.03Å; C217-G220 PolarHBondContact O-N 3.17Å; G220-S222 VanDerWaalsContact C-N 3.32Å; G220-K223 PolarHBondContact O-N 3.03Å |
| 221 | V | 44.2 | Very low | 56.4 | Low | 108 Ų | 108 | 115.5 Ų | 115.5 | 66% | 0.655 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.6 | -29.7 | 172.6 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | C217 L218 C219 K223 | C217-V221 VanDerWaalsContact O-CG2 3.3Å; C217-V221 WeakPolarHBondContact O-CG2 3.28Å; C217-V221 PolarHBondContact O-N 3.45Å; L218-V221 PolarHBondContact O-N 2.65Å; C219-V221 VanDerWaalsContact C-N 3.31Å; C219-V221 PolarHBondContact O-N 3Å; V221-K223 VanDerWaalsContact C-N 3.3Å; V221-K223 PolarHBondContact O-N 3.32Å |
| 222 | S | 41.8 | Very low | 55 | Low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.6 | -20.8 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 113.7 | L218 C219 G220 | L218-S222 PolarHBondContact O-N 3.15Å; C219-S222 WeakPolarHBondContact O-CB 3.41Å; C219-S222 PolarHBondContact O-N 2.89Å; C219-S222 VanDerWaalsContact O-N 3.17Å; G220-S222 VanDerWaalsContact C-N 3.32Å |
| 223 | K | 45.1 | Very low | 53.6 | Low | 181 Ų | 181 | 122.2 Ų | 122.2 | 79% | 0.787 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 31.5 | 178.8 | -142.7 | -177.4 | -175.8 | -178.6 | 0 | 112.9 | C219 G220 V221 R225 | C219-K223 PolarHBondContact O-N 3.03Å; G220-K223 PolarHBondContact O-N 3.03Å; V221-K223 VanDerWaalsContact C-N 3.3Å; V221-K223 PolarHBondContact O-N 3.32Å; K223-R225 PolarHBondContact O-N 3.05Å; K223-R225 VanDerWaalsContact O-N 3.07Å |
| 224 | R | 42.6 | Very low | 52.4 | Low | 241 Ų | 241 | 128 Ų | 128 | 91% | 0.909 | 68% | 0.68 | S | S | * | * | trans | -80.1 | 61.1 | 157.5 | -154.4 | -177.7 | -162.2 | -170.3 | 4.2 | 109.4 | ||||
| 225 | R | 44.4 | Very low | 50.9 | Low | 222 Ų | 222 | 128 Ų | 128 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | trans | -137.3 | 111.4 | 169.2 | -137.3 | -179.8 | -170.6 | -173.5 | 2.6 | 110.2 | K223 | K223-R225 PolarHBondContact O-N 3.05Å; K223-R225 VanDerWaalsContact O-N 3.07Å | ||
| 226 | S | 43 | Very low | 49.3 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | trans | 75.5 | 73.7 | 159.2 | -46 | 0 | 0 | 0 | 0 | 117.4 | I228 | S226-I228 VanDerWaalsContact C-N 3.27Š| ||
| 227 | Q | 41.3 | Very low | 47.9 | Very low | 205 Ų | 205 | 137.8 Ų | 137.8 | 96% | 0.958 | 73% | 0.728 | S | S | * | * | -87.1 | 86.6 | 127.2 | -89.8 | -174.6 | -37 | 0 | 0 | 106.6 | |||||
| 228 | I | 40.8 | Very low | 46.5 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | trans | -110.1 | 133 | 154.5 | -66.6 | 168.7 | 0 | 0 | 0 | 104.4 | S226 | S226-I228 VanDerWaalsContact C-N 3.27Š| ||
| 229 | V | 36 | Very low | 44.8 | Very low | 212 Ų | 212 | 149.2 Ų | 149.2 | 100% | 1.285 | 78% | 0.782 | S | S | * | * | trans | 80 | 0 | -175.1 | -150.2 | 0 | 0 | 0 | 0 | 115.4 |
Retrieved 229 of 229 residues in 80.1 ms
(Link to these results)