| 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 | 54.9 | Low | 81.9 | Confident | 196 Ų | 196 | 100.5 Ų | 100.5 | 97% | 0.966 | 55% | 0.55 | S | S | * | * | 0 | -35.3 | 0 | -64.6 | 179.6 | -137.6 | 0 | 0 | 113.2 | G3 | M1-G3 PolarHBondContact O-N 3.23Š| |||
| 2 | T | 66.5 | Low | 83 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 68% | 0.681 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.8 | -44.2 | -179.8 | -41 | 0 | 0 | 0 | 0 | 112.8 | I4 R5 T6 | T2-I4 PolarHBondContact O-N 3.23Å; T2-R5 PolarHBondContact O-N 2.81Å; T2-R5 VanDerWaalsContact O-N 3.17Å; T2-T6 PolarHBondContact O-N 3.03Å; T2-T6 PolarHBondContact O-OG1 3.29Å |
| 3 | G | 74.6 | Confident | 83.8 | Confident | 48 Ų | 48 | 95.5 Ų | 95.5 | 50% | 0.495 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -54.2 | -46.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1 R5 T6 V7 | M1-G3 PolarHBondContact O-N 3.23Å; G3-R5 PolarHBondContact O-N 3.27Å; G3-T6 WeakPolarHBondContact O-CB 3.36Å; G3-T6 PolarHBondContact O-N 3.37Å; G3-V7 WeakPolarHBondContact O-CG2 3.23Å; G3-V7 PolarHBondContact O-N 3.22Å |
| 4 | I | 83.3 | Confident | 84.4 | Confident | 125 Ų | 125 | 89.4 Ų | 89.4 | 64% | 0.641 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.2 | -46.3 | 179 | -70.3 | 167.1 | 0 | 0 | 0 | 111.1 | T2 T6 V7 I8 | T2-I4 PolarHBondContact O-N 3.23Å; I4-T6 VanDerWaalsContact C-N 3.27Å; I4-T6 PolarHBondContact O-N 3.34Å; I4-V7 PolarHBondContact O-N 3.47Å; I4-I8 HydrophobicContact CG2-CD1 3.78Å; I4-I8 HydrophobicContact CG2-CG1 4.48Å; I4-I8 WeakPolarHBondContact O-CD1 3.17Å; I4-I8 VanDerWaalsContact O-CG1 3.24Å; I4-I8 WeakPolarHBondContact O-CG1 3.23Å; I4-I8 PolarHBondContact O-N 3.4Å |
| 5 | R | 85.1 | Confident | 85.1 | Confident | 178 Ų | 178 | 86.9 Ų | 86.9 | 67% | 0.672 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.3 | -41.7 | 177.6 | -66 | -177.9 | 179.7 | 176.4 | -0.3 | 110.9 | T2 G3 I8 L9 | T2-R5 PolarHBondContact O-N 2.81Å; T2-R5 VanDerWaalsContact O-N 3.17Å; G3-R5 PolarHBondContact O-N 3.27Å; R5-I8 PolarHBondContact O-N 3.36Å; R5-L9 WeakPolarHBondContact O-CG 3.45Å; R5-L9 PolarHBondContact O-N 2.91Å |
| 6 | T | 85.3 | Confident | 85.8 | Confident | 22 Ų | 22 | 85.1 Ų | 85.1 | 14% | 0.135 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 178.8 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | T2 G3 I4 I8 L9 V10 F114 L118 | T2-T6 PolarHBondContact O-N 3.03Å; T2-T6 PolarHBondContact O-OG1 3.29Å; G3-T6 WeakPolarHBondContact O-CB 3.36Å; G3-T6 PolarHBondContact O-N 3.37Å; I4-T6 VanDerWaalsContact C-N 3.27Å; I4-T6 PolarHBondContact O-N 3.34Å; T6-I8 VanDerWaalsContact C-N 3.32Å; T6-I8 PolarHBondContact O-N 3Å; T6-L9 PolarHBondContact O-N 3.37Å; T6-V10 VanDerWaalsContact O-CG2 3.3Å; T6-V10 WeakPolarHBondContact O-CG2 3.34Å; T6-V10 PolarHBondContact O-N 3.18Å; T6-F114 HydrophobicContact CG2-CE1 3.48Å; T6-F114 VanDerWaalsContact CG2-CE1 3.48Å; T6-F114 HydrophobicContact CG2-CZ 3.82Å; T6-L118 HydrophobicContact CG2-CD1 3.14Å; T6-L118 HydrophobicContact CG2-CD2 3.89Å; T6-L118 HydrophobicContact CG2-CG 4.12Å |
| 7 | V | 86.5 | Confident | 86.3 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 60% | 0.6 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.3 | -40.2 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | G3 I4 V10 S11 | G3-V7 WeakPolarHBondContact O-CG2 3.23Å; G3-V7 PolarHBondContact O-N 3.22Å; I4-V7 PolarHBondContact O-N 3.47Å; V7-V10 PolarHBondContact O-N 3.4Å; V7-S11 WeakPolarHBondContact O-CB 3.37Å; V7-S11 PolarHBondContact O-N 2.76Å |
| 8 | I | 91.2 | Very high | 86.6 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 175.3 | -67.6 | 164.3 | 0 | 0 | 0 | 110.6 | I4 R5 T6 S11 L12 | I4-I8 HydrophobicContact CG2-CD1 3.78Å; I4-I8 HydrophobicContact CG2-CG1 4.48Å; I4-I8 WeakPolarHBondContact O-CD1 3.17Å; I4-I8 VanDerWaalsContact O-CG1 3.24Å; I4-I8 WeakPolarHBondContact O-CG1 3.23Å; I4-I8 PolarHBondContact O-N 3.4Å; R5-I8 PolarHBondContact O-N 3.36Å; T6-I8 VanDerWaalsContact C-N 3.32Å; T6-I8 PolarHBondContact O-N 3Å; I8-S11 PolarHBondContact O-N 3.06Å; I8-L12 WeakPolarHBondContact O-CB 3.46Å; I8-L12 PolarHBondContact O-N 3.08Å |
| 9 | L | 89.7 | Confident | 87 | Confident | 111 Ų | 111 | 80.1 Ų | 80.1 | 58% | 0.581 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.6 | -41.2 | 178.5 | -70.2 | 174.5 | 0 | 0 | 0 | 112.4 | R5 T6 L12 A13 | R5-L9 WeakPolarHBondContact O-CG 3.45Å; R5-L9 PolarHBondContact O-N 2.91Å; T6-L9 PolarHBondContact O-N 3.37Å; L9-L12 PolarHBondContact O-N 2.88Å; L9-A13 WeakPolarHBondContact O-CB 3.45Å; L9-A13 PolarHBondContact O-N 3.34Å |
| 10 | V | 90.6 | Very high | 87.3 | Confident | 30 Ų | 30 | 79.6 Ų | 79.6 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 175.8 | 169.1 | 0 | 0 | 0 | 0 | 111 | T6 V7 A13 G14 T111 F114 | T6-V10 VanDerWaalsContact O-CG2 3.3Å; T6-V10 WeakPolarHBondContact O-CG2 3.34Å; T6-V10 PolarHBondContact O-N 3.18Å; V7-V10 PolarHBondContact O-N 3.4Å; V10-A13 PolarHBondContact O-N 2.92Å; V10-G14 PolarHBondContact O-N 3.39Å; V10-T111 HydrophobicContact CB-CG2 4.46Å; V10-T111 HydrophobicContact CG1-CG2 3.74Å; V10-T111 WeakPolarHBondContact O-CG2 3.38Å; V10-F114 HydrophobicContact CG2-CD1 3.6Å; V10-F114 HydrophobicContact CG2-CE1 3.88Å |
| 11 | S | 93 | Very high | 87.5 | Confident | 81 Ų | 81 | 76 Ų | 76 | 57% | 0.566 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 178 | -175.4 | 0 | 0 | 0 | 0 | 112 | V7 I8 G14 S15 | V7-S11 WeakPolarHBondContact O-CB 3.37Å; V7-S11 PolarHBondContact O-N 2.76Å; I8-S11 PolarHBondContact O-N 3.06Å; S11-G14 PolarHBondContact O-N 3.47Å; S11-S15 WeakPolarHBondContact O-CB 3.45Å; S11-S15 PolarHBondContact O-N 3.28Å; S11-S15 PolarHBondContact O-OG 2.81Å |
| 12 | L | 94.9 | Very high | 89.2 | Confident | 103 Ų | 103 | 71.4 Ų | 71.4 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 175.2 | -172.6 | 69.4 | 0 | 0 | 0 | 111.3 | I8 L9 G14 S15 V16 | I8-L12 WeakPolarHBondContact O-CB 3.46Å; I8-L12 PolarHBondContact O-N 3.08Å; L9-L12 PolarHBondContact O-N 2.88Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 2.91Å; L12-S15 PolarHBondContact O-N 2.92Å; L12-S15 PolarHBondContact O-OG 3.13Å; L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.23Å; L12-V16 PolarHBondContact O-N 3.17Å |
| 13 | A | 93.5 | Very high | 90.3 | Very high | 34 Ų | 34 | 69.5 Ų | 69.5 | 28% | 0.281 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L9 V10 V16 S17 T111 | L9-A13 WeakPolarHBondContact O-CB 3.45Å; L9-A13 PolarHBondContact O-N 3.34Å; V10-A13 PolarHBondContact O-N 2.92Å; A13-V16 PolarHBondContact O-N 3.09Å; A13-S17 WeakPolarHBondContact O-CB 3.27Å; A13-S17 PolarHBondContact O-N 2.71Å; A13-S17 PolarHBondContact O-OG 3.38Å; A13-T111 HydrophobicContact CB-CG2 4.4Å; A13-T111 WeakPolarHBondContact CB-OG1 3.26Å |
| 14 | G | 92.7 | Very high | 90.9 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 9% | 0.093 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | V10 S11 L12 V16 S17 F18 | V10-G14 PolarHBondContact O-N 3.39Å; S11-G14 PolarHBondContact O-N 3.47Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 2.91Å; G14-V16 PolarHBondContact O-N 3.3Å; G14-S17 WeakPolarHBondContact O-CB 3.45Å; G14-S17 PolarHBondContact O-N 3.03Å; G14-F18 WeakPolarHBondContact O-CD2 3.34Å; G14-F18 PolarHBondContact O-N 3.19Å |
| 15 | S | 95.3 | Very high | 91 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 178.3 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | S11 L12 S17 F18 T19 | S11-S15 WeakPolarHBondContact O-CB 3.45Å; S11-S15 PolarHBondContact O-N 3.28Å; S11-S15 PolarHBondContact O-OG 2.81Å; L12-S15 PolarHBondContact O-N 2.92Å; L12-S15 PolarHBondContact O-OG 3.13Å; S15-S17 VanDerWaalsContact C-N 3.33Å; S15-S17 PolarHBondContact O-N 3.07Å; S15-F18 PolarHBondContact O-N 3.08Å; S15-T19 WeakPolarHBondContact O-CB 3.43Å; S15-T19 PolarHBondContact O-N 2.75Å; S15-T19 PolarHBondContact O-OG1 3.4Å |
| 16 | V | 96 | Very high | 91 | Very high | 57 Ų | 57 | 56.9 Ų | 56.9 | 35% | 0.345 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 174 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | L12 A13 G14 T19 F20 L107 | L12-V16 VanDerWaalsContact O-CG2 3.29Å; L12-V16 WeakPolarHBondContact O-CG2 3.23Å; L12-V16 PolarHBondContact O-N 3.17Å; A13-V16 PolarHBondContact O-N 3.09Å; G14-V16 PolarHBondContact O-N 3.3Å; V16-T19 WeakPolarHBondContact O-CB 3.5Å; V16-T19 PolarHBondContact O-N 3.09Å; V16-F20 HydrophobicContact CG1-CD2 3.9Å; V16-F20 HydrophobicContact CG1-CE2 3.52Å; V16-F20 HydrophobicContact CG1-CZ 4.48Å; V16-F20 VanDerWaalsContact O-CD2 3.29Å; V16-F20 WeakPolarHBondContact O-CD2 3.39Å; V16-F20 PolarHBondContact O-N 3.37Å; V16-L107 HydrophobicContact CG1-CD1 4.13Å |
| 17 | S | 94.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 175.9 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | A13 G14 S15 T19 F20 L21 A104 L107 M108 | A13-S17 WeakPolarHBondContact O-CB 3.27Å; A13-S17 PolarHBondContact O-N 2.71Å; A13-S17 PolarHBondContact O-OG 3.38Å; G14-S17 WeakPolarHBondContact O-CB 3.45Å; G14-S17 PolarHBondContact O-N 3.03Å; S15-S17 VanDerWaalsContact C-N 3.33Å; S15-S17 PolarHBondContact O-N 3.07Å; S17-T19 VanDerWaalsContact C-N 3.28Å; S17-T19 PolarHBondContact O-N 3.34Å; S17-F20 PolarHBondContact O-N 3.03Å; S17-L21 PolarHBondContact O-N 3.37Å; S17-A104 WeakPolarHBondContact O-CB 3.28Å; S17-L107 WeakPolarHBondContact OG-CB 3.48Å; S17-M108 PolarHBondContact OG-N 2.93Å |
| 18 | F | 92.1 | Very high | 90 | Very high | 86 Ų | 86 | 59.5 Ų | 59.5 | 38% | 0.377 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 175.6 | -75.4 | -59.3 | 0 | 0 | 0 | 112.1 | G14 S15 L21 L22 L39 M108 | G14-F18 WeakPolarHBondContact O-CD2 3.34Å; G14-F18 PolarHBondContact O-N 3.19Å; S15-F18 PolarHBondContact O-N 3.08Å; F18-L21 PolarHBondContact O-N 2.85Å; F18-L22 WeakPolarHBondContact O-CB 3.41Å; F18-L22 VanDerWaalsContact O-CG 3.32Å; F18-L22 WeakPolarHBondContact O-CG 3.41Å; F18-L22 PolarHBondContact O-N 2.82Å; F18-L39 HydrophobicContact CD1-CD2 4.36Å; F18-L39 HydrophobicContact CE1-CD2 3.52Å; F18-L39 HydrophobicContact CZ-CD2 4.33Å; F18-M108 HydrophobicContact CD1-CE 4Å; F18-M108 HydrophobicContact CD2-CE 3.91Å; F18-M108 HydrophobicContact CE1-CE 3.58Å; F18-M108 HydrophobicContact CE2-CE 3.54Å; F18-M108 HydrophobicContact CG-CE 4.12Å; F18-M108 HydrophobicContact CZ-CE 3.36Å; F18-M108 HydrophobicContact CZ-SD 4.48Å |
| 19 | T | 94.4 | Very high | 89 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 45% | 0.454 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 176.4 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | S15 V16 S17 L21 L22 L23 | S15-T19 WeakPolarHBondContact O-CB 3.43Å; S15-T19 PolarHBondContact O-N 2.75Å; S15-T19 PolarHBondContact O-OG1 3.4Å; V16-T19 WeakPolarHBondContact O-CB 3.5Å; V16-T19 PolarHBondContact O-N 3.09Å; S17-T19 VanDerWaalsContact C-N 3.28Å; S17-T19 PolarHBondContact O-N 3.34Å; T19-L21 VanDerWaalsContact C-N 3.32Å; T19-L21 PolarHBondContact O-N 3.22Å; T19-L22 PolarHBondContact O-N 2.7Å; T19-L23 HydrophobicContact CG2-CD1 3.71Å; T19-L23 WeakPolarHBondContact O-CB 3.31Å; T19-L23 WeakPolarHBondContact O-CD1 3.41Å; T19-L23 PolarHBondContact O-N 2.88Å |
| 20 | F | 91.8 | Very high | 88 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 30% | 0.303 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 175.4 | -75.3 | -55.4 | 0 | 0 | 0 | 113.3 | V16 S17 L23 A24 L100 A104 L107 | V16-F20 HydrophobicContact CG1-CD2 3.9Å; V16-F20 HydrophobicContact CG1-CE2 3.52Å; V16-F20 HydrophobicContact CG1-CZ 4.48Å; V16-F20 VanDerWaalsContact O-CD2 3.29Å; V16-F20 WeakPolarHBondContact O-CD2 3.39Å; V16-F20 PolarHBondContact O-N 3.37Å; S17-F20 PolarHBondContact O-N 3.03Å; F20-L23 PolarHBondContact O-N 3.49Å; F20-A24 PolarHBondContact O-N 3.24Å; F20-L100 HydrophobicContact CD1-CD2 3.94Å; F20-L100 HydrophobicContact CE1-CD2 4.48Å; F20-A104 HydrophobicContact CB-CB 3.92Å; F20-L107 HydrophobicContact CD2-CD1 3.94Å; F20-L107 HydrophobicContact CE2-CD1 3.9Å |
| 21 | L | 91.2 | Very high | 86.9 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.4 | -169.5 | 69.9 | 0 | 0 | 0 | 111.4 | S17 F18 T19 A24 C25 P35 M38 L39 Y42 T101 A104 | S17-L21 PolarHBondContact O-N 3.37Å; F18-L21 PolarHBondContact O-N 2.85Å; T19-L21 VanDerWaalsContact C-N 3.32Å; T19-L21 PolarHBondContact O-N 3.22Å; L21-A24 WeakPolarHBondContact O-CB 3.3Å; L21-A24 PolarHBondContact O-N 3.15Å; L21-C25 PolarHBondContact O-N 3.22Å; L21-P35 HydrophobicContact CD1-CB 4.37Å; L21-M38 HydrophobicContact CD1-CB 4.49Å; L21-L39 HydrophobicContact CD2-CD1 4.26Å; L21-L39 HydrophobicContact CD2-CG 4.11Å; L21-Y42 HydrophobicContact CD2-CE2 4.27Å; L21-T101 HydrophobicContact CD1-CG2 4.33Å; L21-A104 HydrophobicContact CB-CB 4.09Å; L21-A104 HydrophobicContact CD1-CB 4.48Å |
| 22 | L | 91.1 | Very high | 86 | Confident | 101 Ų | 101 | 58.6 Ų | 58.6 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 176.5 | -69.3 | 179 | 0 | 0 | 0 | 111.7 | F18 T19 A24 C25 A26 | F18-L22 WeakPolarHBondContact O-CB 3.41Å; F18-L22 VanDerWaalsContact O-CG 3.32Å; F18-L22 WeakPolarHBondContact O-CG 3.41Å; F18-L22 PolarHBondContact O-N 2.82Å; T19-L22 PolarHBondContact O-N 2.7Å; L22-A24 PolarHBondContact O-N 3.32Å; L22-C25 PolarHBondContact O-N 3.41Å; L22-C25 VanDerWaalsContact O-N 3.09Å; L22-A26 WeakPolarHBondContact O-CB 3.49Å; L22-A26 PolarHBondContact O-N 3.31Å |
| 23 | L | 89.4 | Confident | 85.1 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 37% | 0.366 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61 | -35.2 | 173.3 | -96 | 67.7 | 0 | 0 | 0 | 111.5 | T19 F20 C25 L27 L100 | T19-L23 HydrophobicContact CG2-CD1 3.71Å; T19-L23 WeakPolarHBondContact O-CB 3.31Å; T19-L23 WeakPolarHBondContact O-CD1 3.41Å; T19-L23 PolarHBondContact O-N 2.88Å; F20-L23 PolarHBondContact O-N 3.49Å; L23-C25 VanDerWaalsContact C-N 3.27Å; L23-C25 PolarHBondContact O-N 3.22Å; L23-L27 HydrophobicContact CG-CD1 4.49Å; L23-L27 WeakPolarHBondContact O-CB 3.47Å; L23-L27 PolarHBondContact O-N 3.04Å; L23-L100 HydrophobicContact CB-CD1 4.24Å |
| 24 | A | 87 | Confident | 84.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.7 | -30.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F20 L21 L22 Y30 P35 A97 L100 T101 | F20-A24 PolarHBondContact O-N 3.24Å; L21-A24 WeakPolarHBondContact O-CB 3.3Å; L21-A24 PolarHBondContact O-N 3.15Å; L22-A24 PolarHBondContact O-N 3.32Å; A24-Y30 VanDerWaalsContact O-CB 3.31Å; A24-Y30 WeakPolarHBondContact O-CB 3.35Å; A24-Y30 WeakPolarHBondContact O-CD2 3.29Å; A24-P35 HydrophobicContact CB-CB 4.44Å; A24-P35 HydrophobicContact CB-CG 4.36Å; A24-A97 HydrophobicContact CB-CB 4.29Å; A24-L100 HydrophobicContact CB-CB 3.95Å; A24-T101 HydrophobicContact CB-CG2 3.54Å |
| 25 | C | 85.4 | Confident | 83.8 | Confident | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.054 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -90.9 | -41.9 | 179 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | L21 L22 L23 N31 V32 P35 | L21-C25 PolarHBondContact O-N 3.22Å; L22-C25 PolarHBondContact O-N 3.41Å; L22-C25 VanDerWaalsContact O-N 3.09Å; L23-C25 VanDerWaalsContact C-N 3.27Å; L23-C25 PolarHBondContact O-N 3.22Å; C25-N31 PolarHBondContact O-N 2.99Å; C25-V32 WeakPolarHBondContact CA-O 3.5Å; C25-V32 WeakPolarHBondContact CB-O 3.15Å; C25-P35 WeakPolarHBondContact SG-CG 3.43Å |
| 26 | A | 85.1 | Confident | 83.3 | Confident | 79 Ų | 79 | 67.7 Ų | 67.7 | 65% | 0.653 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -89.7 | -13.9 | -166 | 0 | 0 | 0 | 0 | 0 | 113.8 | L22 | L22-A26 WeakPolarHBondContact O-CB 3.49Å; L22-A26 PolarHBondContact O-N 3.31Å |
| 27 | L | 79.8 | Confident | 82.7 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 28% | 0.283 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -59.3 | 131.5 | 173.2 | -123.1 | 65.6 | 0 | 0 | 0 | 108.8 | L23 Q29 Y30 N31 | L23-L27 HydrophobicContact CG-CD1 4.49Å; L23-L27 WeakPolarHBondContact O-CB 3.47Å; L23-L27 PolarHBondContact O-N 3.04Å; L27-Q29 HydrophobicContact CB-CG 3.94Å; L27-Q29 HydrophobicContact CD2-CG 3.93Å; L27-Q29 HydrophobicContact CG-CG 4.18Å; L27-Q29 PolarHBondContact O-N 2.82Å; L27-Q29 VanDerWaalsContact O-N 3.08Å; L27-Y30 HydrophobicContact CB-CD2 3.37Å; L27-Y30 HydrophobicContact CB-CE2 3.86Å; L27-Y30 HydrophobicContact CB-CG 4.19Å; L27-Y30 HydrophobicContact CD2-CD2 3.92Å; L27-Y30 HydrophobicContact CD2-CE2 3.44Å; L27-Y30 VanDerWaalsContact CD2-CE2 3.44Å; L27-Y30 HydrophobicContact CG-CD2 4.29Å; L27-Y30 HydrophobicContact CG-CE2 4.29Å; L27-Y30 WeakPolarHBondContact O-CA 3.04Å; L27-Y30 PolarHBondContact O-N 3.38Å; L27-N31 PolarHBondContact O-N 3.27Å |
| 28 | P | 72.2 | Confident | 82.4 | Confident | 121 Ų | 121 | 69.2 Ų | 69.2 | 79% | 0.786 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.1 | -173.2 | 22.4 | -33.5 | 0 | 0 | 0 | 113 | Y30 | P28-Y30 VanDerWaalsContact C-N 3.3Š|
| 29 | Q | 70.5 | Confident | 82.2 | Confident | 118 Ų | 118 | 67.5 Ų | 67.5 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -20.5 | 173.3 | 59.2 | -172.4 | 75.8 | 0 | 0 | 114.1 | L27 | L27-Q29 HydrophobicContact CB-CG 3.94Å; L27-Q29 HydrophobicContact CD2-CG 3.93Å; L27-Q29 HydrophobicContact CG-CG 4.18Å; L27-Q29 PolarHBondContact O-N 2.82Å; L27-Q29 VanDerWaalsContact O-N 3.08Å |
| 30 | Y | 67.5 | Low | 81.9 | Confident | 27 Ų | 27 | 68 Ų | 68 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -45.9 | -175.6 | -57.1 | -41.2 | 0 | 0 | 0 | 111.6 | A24 L27 P28 V32 L94 G96 A97 L100 | A24-Y30 VanDerWaalsContact O-CB 3.31Å; A24-Y30 WeakPolarHBondContact O-CB 3.35Å; A24-Y30 WeakPolarHBondContact O-CD2 3.29Å; L27-Y30 HydrophobicContact CB-CD2 3.37Å; L27-Y30 HydrophobicContact CB-CE2 3.86Å; L27-Y30 HydrophobicContact CB-CG 4.19Å; L27-Y30 HydrophobicContact CD2-CD2 3.92Å; L27-Y30 HydrophobicContact CD2-CE2 3.44Å; L27-Y30 VanDerWaalsContact CD2-CE2 3.44Å; L27-Y30 HydrophobicContact CG-CD2 4.29Å; L27-Y30 HydrophobicContact CG-CE2 4.29Å; L27-Y30 WeakPolarHBondContact O-CA 3.04Å; L27-Y30 PolarHBondContact O-N 3.38Å; P28-Y30 VanDerWaalsContact C-N 3.3Å; Y30-V32 WeakPolarHBondContact O-CB 3.41Å; Y30-V32 VanDerWaalsContact O-CG1 3.23Å; Y30-V32 WeakPolarHBondContact O-CG1 3.29Å; Y30-V32 VanDerWaalsContact O-CG2 3.23Å; Y30-V32 WeakPolarHBondContact O-CG2 2.98Å; Y30-V32 PolarHBondContact O-N 3.36Å; Y30-L94 HydrophobicContact CD1-CB 3.74Å; Y30-L94 HydrophobicContact CD1-CD2 4.3Å; Y30-L94 HydrophobicContact CD1-CG 4.44Å; Y30-L94 HydrophobicContact CE1-CB 3.4Å; Y30-L94 VanDerWaalsContact CE1-CB 3.4Å; Y30-L94 HydrophobicContact CE1-CD2 3.85Å; Y30-L94 HydrophobicContact CE1-CG 4.2Å; Y30-G96 VanDerWaalsContact OH-CA 3.3Å; Y30-G96 WeakPolarHBondContact OH-CA 3.24Å; Y30-A97 HydrophobicContact CD1-CB 3.83Å; Y30-A97 HydrophobicContact CD2-CB 3.67Å; Y30-A97 HydrophobicContact CE1-CB 3.91Å; Y30-A97 HydrophobicContact CE2-CB 3.75Å; Y30-A97 HydrophobicContact CG-CB 3.72Å; Y30-A97 VanDerWaalsContact CZ-N 3.34Å; Y30-A97 PolarHBondContact OH-N 2.95Å; Y30-L100 HydrophobicContact CE2-CD1 4.27Å |
| 31 | N | 67 | Low | 81.8 | Confident | 125 Ų | 125 | 66.3 Ų | 66.3 | 67% | 0.668 | 34% | 0.336 | S | S | * | . | trans | 31.9 | 38.7 | 176.8 | -154.8 | -1.5 | 0 | 0 | 0 | 115.6 | C25 L27 | C25-N31 PolarHBondContact O-N 2.99Å; L27-N31 PolarHBondContact O-N 3.27Å | ||
| 32 | V | 74.7 | Confident | 81.7 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | trans | -128.9 | 129.1 | -176.4 | -75.6 | 0 | 0 | 0 | 0 | 107.8 | C25 Y30 P35 L92 I93 | C25-V32 WeakPolarHBondContact CA-O 3.5Å; C25-V32 WeakPolarHBondContact CB-O 3.15Å; Y30-V32 WeakPolarHBondContact O-CB 3.41Å; Y30-V32 VanDerWaalsContact O-CG1 3.23Å; Y30-V32 WeakPolarHBondContact O-CG1 3.29Å; Y30-V32 VanDerWaalsContact O-CG2 3.23Å; Y30-V32 WeakPolarHBondContact O-CG2 2.98Å; Y30-V32 PolarHBondContact O-N 3.36Å; V32-P35 VanDerWaalsContact O-CD 3.27Å; V32-P35 WeakPolarHBondContact O-CD 3.32Å; V32-L92 WeakPolarHBondContact CG2-O 3.46Å; V32-I93 HydrophobicContact CG2-CG1 4.35Å | ||
| 33 | W | 76.1 | Confident | 81.5 | Confident | 187 Ų | 187 | 67.6 Ų | 67.6 | 71% | 0.708 | 34% | 0.341 | S | S | * | . | trans | -94.8 | 0.3 | -176.6 | -70.5 | 46.4 | 0 | 0 | 0 | 112 | L36 | W33-L36 HydrophobicContact CE3-CD1 4.19Å; W33-L36 WeakPolarHBondContact O-CB 3.44Å; W33-L36 PolarHBondContact O-N 2.91Å; W33-L36 VanDerWaalsContact O-N 3.09Å | ||
| 34 | W | 80.6 | Confident | 81.4 | Confident | 137 Ų | 137 | 67.7 Ų | 67.7 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -53.1 | -37.9 | 175.4 | -74 | 112.2 | 0 | 0 | 0 | 115.9 | L36 F37 F83 I93 | W34-L36 PolarHBondContact O-N 3.48Å; W34-L36 VanDerWaalsContact O-N 3.08Å; W34-F37 WeakPolarHBondContact O-CB 3.23Å; W34-F37 PolarHBondContact O-N 2.87Å; W34-F37 VanDerWaalsContact O-N 3.17Å; W34-F83 HydrophobicContact CB-CD2 4.15Å; W34-F83 HydrophobicContact CB-CE2 4Å; W34-F83 HydrophobicContact CE3-CE2 4.17Å; W34-F83 HydrophobicContact CE3-CZ 4.08Å; W34-I93 HydrophobicContact CB-CD1 4.49Å |
| 35 | P | 79.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -60.9 | -21.8 | 178.2 | -11.8 | 20.6 | 0 | 0 | 0 | 113.7 | L21 A24 C25 V32 F37 M38 I93 T101 | L21-P35 HydrophobicContact CD1-CB 4.37Å; A24-P35 HydrophobicContact CB-CB 4.44Å; A24-P35 HydrophobicContact CB-CG 4.36Å; C25-P35 WeakPolarHBondContact SG-CG 3.43Å; V32-P35 VanDerWaalsContact O-CD 3.27Å; V32-P35 WeakPolarHBondContact O-CD 3.32Å; P35-F37 PolarHBondContact O-N 3.06Å; P35-F37 VanDerWaalsContact O-N 3.13Å; P35-M38 WeakPolarHBondContact O-CG 3.29Å; P35-M38 PolarHBondContact O-N 3.47Å; P35-I93 HydrophobicContact CB-CD1 4.16Å; P35-I93 HydrophobicContact CG-CD1 3.73Å; P35-I93 HydrophobicContact CG-CG1 4.32Å; P35-T101 HydrophobicContact CB-CG2 3.52Å; P35-T101 HydrophobicContact CG-CG2 4.26Å |
| 36 | L | 83.7 | Confident | 81.1 | Confident | 66 Ų | 66 | 69.1 Ų | 69.1 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -61.6 | -21.1 | 179.8 | -155.7 | 150.7 | 0 | 0 | 0 | 112 | W33 W34 M38 L39 | W33-L36 HydrophobicContact CE3-CD1 4.19Å; W33-L36 WeakPolarHBondContact O-CB 3.44Å; W33-L36 PolarHBondContact O-N 2.91Å; W33-L36 VanDerWaalsContact O-N 3.09Å; W34-L36 PolarHBondContact O-N 3.48Å; W34-L36 VanDerWaalsContact O-N 3.08Å; L36-M38 PolarHBondContact O-N 3.44Å; L36-L39 HydrophobicContact CD2-CD1 3.47Å; L36-L39 VanDerWaalsContact CD2-CD1 3.47Å; L36-L39 HydrophobicContact CG-CD1 3.62Å; L36-L39 VanDerWaalsContact O-CB 3.31Å; L36-L39 WeakPolarHBondContact O-CB 3.21Å; L36-L39 PolarHBondContact O-N 2.69Å |
| 37 | F | 84.4 | Confident | 81.1 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 40% | 0.395 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -55.1 | -27.2 | 175.1 | -170 | -93.8 | 0 | 0 | 0 | 113.5 | W34 P35 L39 I40 F41 L79 | W34-F37 WeakPolarHBondContact O-CB 3.23Å; W34-F37 PolarHBondContact O-N 2.87Å; W34-F37 VanDerWaalsContact O-N 3.17Å; P35-F37 PolarHBondContact O-N 3.06Å; P35-F37 VanDerWaalsContact O-N 3.13Å; F37-L39 PolarHBondContact O-N 3.23Å; F37-I40 HydrophobicContact CD2-CD1 3.81Å; F37-I40 HydrophobicContact CE2-CD1 3.82Å; F37-I40 WeakPolarHBondContact O-CB 3.5Å; F37-I40 PolarHBondContact O-N 3.04Å; F37-F41 HydrophobicContact CD1-CD2 4.2Å; F37-F41 AromaticContact CD1-CE2 3.71Å; F37-F41 HydrophobicContact CD1-CE2 3.71Å; F37-F41 HydrophobicContact CE1-CD2 4.19Å; F37-F41 AromaticContact CE1-CE2 3.42Å; F37-F41 HydrophobicContact CE1-CE2 3.42Å; F37-F41 VanDerWaalsContact CE1-CE2 3.42Å; F37-F41 AromaticContact CE1-CZ 3.83Å; F37-F41 HydrophobicContact CE1-CZ 3.83Å; F37-L79 HydrophobicContact CB-CD2 4.4Å; F37-L79 HydrophobicContact CD1-CD2 3.11Å; F37-L79 HydrophobicContact CE1-CD2 3.53Å; F37-L79 HydrophobicContact CG-CD2 4Å |
| 38 | M | 87.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -26.1 | 177.2 | -56.6 | -49.8 | 150.3 | 0 | 0 | 113.4 | L21 P35 L36 I40 F41 Y42 A76 L79 P80 | L21-M38 HydrophobicContact CD1-CB 4.49Å; P35-M38 WeakPolarHBondContact O-CG 3.29Å; P35-M38 PolarHBondContact O-N 3.47Å; L36-M38 PolarHBondContact O-N 3.44Å; M38-I40 PolarHBondContact O-N 3.44Å; M38-F41 PolarHBondContact O-N 3.02Å; M38-F41 VanDerWaalsContact O-N 3.08Å; M38-F41 HydrophobicContact SD-CD2 4.17Å; M38-Y42 HydrophobicContact CB-CE1 4.38Å; M38-Y42 HydrophobicContact CB-CE2 4.36Å; M38-Y42 WeakPolarHBondContact O-CD1 3.33Å; M38-Y42 PolarHBondContact O-N 3.17Å; M38-A76 HydrophobicContact SD-CB 4.39Å; M38-L79 HydrophobicContact CE-CB 3.87Å; M38-L79 HydrophobicContact CE-CD2 3.73Å; M38-L79 HydrophobicContact CE-CG 3.98Å; M38-L79 HydrophobicContact SD-CD2 4.39Å; M38-P80 HydrophobicContact CE-CB 4.02Å; M38-P80 HydrophobicContact CE-CG 3.98Å |
| 39 | L | 87.5 | Confident | 81.4 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.9 | -35.6 | 174.3 | -87.6 | 153.1 | 0 | 0 | 0 | 112.5 | F18 L21 L36 F37 F41 Y42 I43 | F18-L39 HydrophobicContact CD1-CD2 4.36Å; F18-L39 HydrophobicContact CE1-CD2 3.52Å; F18-L39 HydrophobicContact CZ-CD2 4.33Å; L21-L39 HydrophobicContact CD2-CD1 4.26Å; L21-L39 HydrophobicContact CD2-CG 4.11Å; L36-L39 HydrophobicContact CD2-CD1 3.47Å; L36-L39 VanDerWaalsContact CD2-CD1 3.47Å; L36-L39 HydrophobicContact CG-CD1 3.62Å; L36-L39 VanDerWaalsContact O-CB 3.31Å; L36-L39 WeakPolarHBondContact O-CB 3.21Å; L36-L39 PolarHBondContact O-N 2.69Å; F37-L39 PolarHBondContact O-N 3.23Å; L39-F41 VanDerWaalsContact C-N 3.34Å; L39-Y42 HydrophobicContact CD2-CD2 4.41Å; L39-Y42 HydrophobicContact CG-CD2 4.48Å; L39-Y42 WeakPolarHBondContact O-CB 3.37Å; L39-Y42 PolarHBondContact O-N 3.01Å; L39-I43 WeakPolarHBondContact O-CG1 3.49Å; L39-I43 PolarHBondContact O-N 3.06Å |
| 40 | I | 88.4 | Confident | 81.8 | Confident | 83 Ų | 83 | 61.5 Ų | 61.5 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 179.3 | -60 | 173 | 0 | 0 | 0 | 109.5 | F37 M38 Y42 I43 I44 | F37-I40 HydrophobicContact CD2-CD1 3.81Å; F37-I40 HydrophobicContact CE2-CD1 3.82Å; F37-I40 WeakPolarHBondContact O-CB 3.5Å; F37-I40 PolarHBondContact O-N 3.04Å; M38-I40 PolarHBondContact O-N 3.44Å; I40-Y42 VanDerWaalsContact C-N 3.28Å; I40-Y42 PolarHBondContact O-N 3.2Å; I40-I43 PolarHBondContact O-N 2.92Å; I40-I44 HydrophobicContact CG2-CD1 3.73Å; I40-I44 HydrophobicContact CG2-CG1 4.46Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.45Å; I40-I44 PolarHBondContact O-N 3.49Å |
| 41 | F | 89.1 | Confident | 82.3 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -33.9 | 174.7 | -69.2 | -64.1 | 0 | 0 | 0 | 112.4 | F37 M38 L39 I43 I44 A45 I72 A76 L79 | F37-F41 HydrophobicContact CD1-CD2 4.2Å; F37-F41 AromaticContact CD1-CE2 3.71Å; F37-F41 HydrophobicContact CD1-CE2 3.71Å; F37-F41 HydrophobicContact CE1-CD2 4.19Å; F37-F41 AromaticContact CE1-CE2 3.42Å; F37-F41 HydrophobicContact CE1-CE2 3.42Å; F37-F41 VanDerWaalsContact CE1-CE2 3.42Å; F37-F41 AromaticContact CE1-CZ 3.83Å; F37-F41 HydrophobicContact CE1-CZ 3.83Å; M38-F41 PolarHBondContact O-N 3.02Å; M38-F41 VanDerWaalsContact O-N 3.08Å; M38-F41 HydrophobicContact SD-CD2 4.17Å; L39-F41 VanDerWaalsContact C-N 3.34Å; F41-I43 VanDerWaalsContact C-N 3.33Å; F41-I43 PolarHBondContact O-N 3.12Å; F41-I44 PolarHBondContact O-N 3.34Å; F41-A45 WeakPolarHBondContact O-CB 3.31Å; F41-A45 PolarHBondContact O-N 3.08Å; F41-I72 HydrophobicContact CB-CG2 4.33Å; F41-I72 HydrophobicContact CD1-CG2 4.04Å; F41-A76 HydrophobicContact CB-CB 4Å; F41-A76 HydrophobicContact CD2-CB 4Å; F41-A76 HydrophobicContact CG-CB 4.07Å; F41-L79 HydrophobicContact CE2-CD2 4.08Å |
| 42 | Y | 89.4 | Confident | 82.6 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 6% | 0.059 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 175.5 | -57.4 | -24.2 | 0 | 0 | 0 | 113 | L21 M38 L39 I40 P46 N105 M108 F109 | L21-Y42 HydrophobicContact CD2-CE2 4.27Å; M38-Y42 HydrophobicContact CB-CE1 4.38Å; M38-Y42 HydrophobicContact CB-CE2 4.36Å; M38-Y42 WeakPolarHBondContact O-CD1 3.33Å; M38-Y42 PolarHBondContact O-N 3.17Å; L39-Y42 HydrophobicContact CD2-CD2 4.41Å; L39-Y42 HydrophobicContact CG-CD2 4.48Å; L39-Y42 WeakPolarHBondContact O-CB 3.37Å; L39-Y42 PolarHBondContact O-N 3.01Å; I40-Y42 VanDerWaalsContact C-N 3.28Å; I40-Y42 PolarHBondContact O-N 3.2Å; Y42-P46 WeakPolarHBondContact O-CD 3.32Å; Y42-N105 WeakPolarHBondContact OH-CA 3.37Å; Y42-N105 PolarHBondContact OH-N 3.11Å; Y42-N105 PolarHBondContact OH-OD1 2.9Å; Y42-M108 HydrophobicContact CD1-CB 4.34Å; Y42-M108 HydrophobicContact CD1-CG 3.67Å; Y42-M108 HydrophobicContact CD2-CE 4.14Å; Y42-M108 HydrophobicContact CD2-CG 3.75Å; Y42-M108 HydrophobicContact CD2-SD 4.48Å; Y42-M108 HydrophobicContact CE1-CB 3.86Å; Y42-M108 HydrophobicContact CE1-CG 3.68Å; Y42-M108 HydrophobicContact CE2-CB 4.17Å; Y42-M108 HydrophobicContact CE2-CE 4.09Å; Y42-M108 HydrophobicContact CE2-CG 3.77Å; Y42-M108 HydrophobicContact CG-CG 3.69Å; Y42-F109 HydrophobicContact CD1-CE1 4.23Å; Y42-F109 HydrophobicContact CD1-CZ 4.13Å; Y42-F109 HydrophobicContact CE1-CE2 4.23Å; Y42-F109 HydrophobicContact CE1-CZ 4.11Å |
| 43 | I | 86.1 | Confident | 82.4 | Confident | 117 Ų | 117 | 58.9 Ų | 58.9 | 60% | 0.6 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -73.1 | -38.2 | 176.3 | -64.9 | 165.6 | 0 | 0 | 0 | 110.7 | L39 I40 F41 P46 | L39-I43 WeakPolarHBondContact O-CG1 3.49Å; L39-I43 PolarHBondContact O-N 3.06Å; I40-I43 PolarHBondContact O-N 2.92Å; F41-I43 VanDerWaalsContact C-N 3.33Å; F41-I43 PolarHBondContact O-N 3.12Å; I43-P46 WeakPolarHBondContact O-CD 3.5Å; I43-P46 WeakPolarHBondContact O-CG 3.25Å |
| 44 | I | 86.8 | Confident | 82.1 | Confident | 72 Ų | 72 | 56 Ų | 56 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -78.1 | -35.6 | -177.9 | -62 | 171.1 | 0 | 0 | 0 | 111.7 | I40 F41 I47 P48 I72 | I40-I44 HydrophobicContact CG2-CD1 3.73Å; I40-I44 HydrophobicContact CG2-CG1 4.46Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.45Å; I40-I44 PolarHBondContact O-N 3.49Å; F41-I44 PolarHBondContact O-N 3.34Å; I44-I47 WeakPolarHBondContact O-CB 3.48Å; I44-I47 PolarHBondContact O-N 3.04Å; I44-P48 WeakPolarHBondContact O-CD 3.24Å; I44-I72 HydrophobicContact CG2-CD1 3.73Å; I44-I72 HydrophobicContact CG2-CG1 4.33Å |
| 45 | A | 85.1 | Confident | 81.6 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -40.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | F41 I47 P48 I72 F109 | F41-A45 WeakPolarHBondContact O-CB 3.31Å; F41-A45 PolarHBondContact O-N 3.08Å; A45-I47 VanDerWaalsContact C-N 3.29Å; A45-I47 PolarHBondContact O-N 3.45Å; A45-P48 WeakPolarHBondContact O-CD 3.4Å; A45-I72 HydrophobicContact CB-CG2 3.94Å; A45-F109 HydrophobicContact CB-CE1 3.96Å |
| 46 | P | 81.8 | Confident | 80.8 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.7 | -20.8 | 176.8 | 27.3 | -35.4 | 0 | 0 | 0 | 113 | Y42 I43 L49 L50 I112 | Y42-P46 WeakPolarHBondContact O-CD 3.32Å; I43-P46 WeakPolarHBondContact O-CD 3.5Å; I43-P46 WeakPolarHBondContact O-CG 3.25Å; P46-L49 PolarHBondContact O-N 3.31Å; P46-L50 HydrophobicContact CB-CD1 4.48Å; P46-L50 WeakPolarHBondContact O-CB 3.49Å; P46-L50 VanDerWaalsContact O-CG 3.24Å; P46-L50 WeakPolarHBondContact O-CG 3.45Å; P46-L50 PolarHBondContact O-N 3.04Å; P46-I112 HydrophobicContact CB-CG2 4.41Å |
| 47 | I | 85.2 | Confident | 79.9 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 46% | 0.462 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -52.7 | -173.3 | -58.2 | 174.7 | 0 | 0 | 0 | 111.6 | I44 A45 L49 L50 V51 | I44-I47 WeakPolarHBondContact O-CB 3.48Å; I44-I47 PolarHBondContact O-N 3.04Å; A45-I47 VanDerWaalsContact C-N 3.29Å; A45-I47 PolarHBondContact O-N 3.45Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 2.91Å; I47-L50 PolarHBondContact O-N 3.13Å; I47-V51 HydrophobicContact CG2-CG2 4.34Å; I47-V51 VanDerWaalsContact O-CG2 3.29Å; I47-V51 WeakPolarHBondContact O-CG2 3.45Å; I47-V51 PolarHBondContact O-N 2.86Å |
| 48 | P | 80 | Confident | 79.4 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 7% | 0.065 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -37 | 178.7 | -15.9 | 25 | 0 | 0 | 0 | 112.7 | I44 A45 V51 A52 S65 L68 T69 I72 | I44-P48 WeakPolarHBondContact O-CD 3.24Å; A45-P48 WeakPolarHBondContact O-CD 3.4Å; P48-V51 PolarHBondContact O-N 2.9Å; P48-A52 PolarHBondContact O-N 3.35Å; P48-S65 WeakPolarHBondContact O-CB 3.45Å; P48-L68 HydrophobicContact CB-CB 4.43Å; P48-L68 HydrophobicContact CB-CD2 4.14Å; P48-L68 HydrophobicContact CG-CD2 3.86Å; P48-L68 HydrophobicContact CG-CG 4.19Å; P48-T69 WeakPolarHBondContact CB-OG1 3.49Å; P48-I72 HydrophobicContact CG-CD1 3.74Å |
| 49 | L | 78 | Confident | 78.8 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 177.4 | -105.4 | 66.6 | 0 | 0 | 0 | 111.9 | P46 I47 A52 K53 T69 V116 | P46-L49 PolarHBondContact O-N 3.31Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 2.91Å; L49-A52 WeakPolarHBondContact O-CB 3.46Å; L49-A52 PolarHBondContact O-N 2.89Å; L49-K53 PolarHBondContact O-N 3.23Å; L49-T69 HydrophobicContact CD1-CG2 3.58Å; L49-T69 WeakPolarHBondContact CD1-OG1 3.4Å; L49-V116 HydrophobicContact CB-CG1 4.18Å; L49-V116 HydrophobicContact CB-CG2 4.41Å; L49-V116 HydrophobicContact CD2-CB 3.98Å; L49-V116 HydrophobicContact CD2-CG1 3.8Å; L49-V116 HydrophobicContact CD2-CG2 3.99Å; L49-V116 HydrophobicContact CG-CG1 4.33Å |
| 50 | L | 78.8 | Confident | 78.5 | Confident | 75 Ų | 75 | 73.1 Ų | 73.1 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 175.8 | -67.1 | 174 | 0 | 0 | 0 | 111.6 | P46 I47 A52 K53 N54 | P46-L50 HydrophobicContact CB-CD1 4.48Å; P46-L50 WeakPolarHBondContact O-CB 3.49Å; P46-L50 VanDerWaalsContact O-CG 3.24Å; P46-L50 WeakPolarHBondContact O-CG 3.45Å; P46-L50 PolarHBondContact O-N 3.04Å; I47-L50 PolarHBondContact O-N 3.13Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.49Å; L50-K53 HydrophobicContact CD2-CD 4.46Å; L50-K53 WeakPolarHBondContact O-CB 3.19Å; L50-K53 PolarHBondContact O-N 3.47Å; L50-N54 PolarHBondContact O-N 2.71Å; L50-N54 PolarHBondContact O-ND2 3.23Å |
| 51 | V | 78.4 | Confident | 78.1 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 173.4 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | I47 P48 K53 N54 F55 | I47-V51 HydrophobicContact CG2-CG2 4.34Å; I47-V51 VanDerWaalsContact O-CG2 3.29Å; I47-V51 WeakPolarHBondContact O-CG2 3.45Å; I47-V51 PolarHBondContact O-N 2.86Å; P48-V51 PolarHBondContact O-N 2.9Å; V51-K53 PolarHBondContact O-N 3.06Å; V51-N54 PolarHBondContact O-N 3.41Å; V51-F55 HydrophobicContact CG1-CD2 3.79Å; V51-F55 HydrophobicContact CG1-CE2 4Å; V51-F55 VanDerWaalsContact O-CD2 3.27Å; V51-F55 WeakPolarHBondContact O-CD2 3.24Å; V51-F55 PolarHBondContact O-N 3.37Å |
| 52 | A | 74.1 | Confident | 77.6 | Confident | 27 Ų | 27 | 72 Ų | 72 | 22% | 0.223 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54.3 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P48 L49 L50 S65 | P48-A52 PolarHBondContact O-N 3.35Å; L49-A52 WeakPolarHBondContact O-CB 3.46Å; L49-A52 PolarHBondContact O-N 2.89Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.49Å; A52-S65 WeakPolarHBondContact CB-OG 3.31Å |
| 53 | K | 69.3 | Low | 77.4 | Confident | 46 Ų | 46 | 77.2 Ų | 77.2 | 20% | 0.2 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 176.7 | -69 | -169.8 | 71.2 | -174 | 0 | 113.1 | L49 L50 V51 F55 Q56 V119 V120 D123 | L49-K53 PolarHBondContact O-N 3.23Å; L50-K53 HydrophobicContact CD2-CD 4.46Å; L50-K53 WeakPolarHBondContact O-CB 3.19Å; L50-K53 PolarHBondContact O-N 3.47Å; V51-K53 PolarHBondContact O-N 3.06Å; K53-F55 VanDerWaalsContact C-N 3.25Å; K53-F55 PolarHBondContact O-N 3.41Å; K53-Q56 WeakPolarHBondContact O-CG 3.34Å; K53-V119 PolarHBondContact NZ-O 2.99Å; K53-V120 HydrophobicContact CD-CG2 3.53Å; K53-V120 HydrophobicContact CG-CG2 4.01Å; K53-D123 IonicContact NZ-OD2 2.72Å; K53-D123 PolarHBondContact NZ-OD2 3.39Å |
| 54 | N | 70.8 | Confident | 77.4 | Confident | 127 Ų | 127 | 75.9 Ų | 75.9 | 68% | 0.679 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.4 | -20.6 | -176 | -72.3 | -76.1 | 0 | 0 | 0 | 112.7 | L50 V51 | L50-N54 PolarHBondContact O-N 2.71Å; L50-N54 PolarHBondContact O-ND2 3.23Å; V51-N54 PolarHBondContact O-N 3.41Å |
| 55 | F | 69 | Low | 77.4 | Confident | 115 Ų | 115 | 72.9 Ų | 72.9 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 41.3 | -175.1 | -61.9 | -75.2 | 0 | 0 | 0 | 112.6 | V51 K53 E57 S58 L61 | V51-F55 HydrophobicContact CG1-CD2 3.79Å; V51-F55 HydrophobicContact CG1-CE2 4Å; V51-F55 VanDerWaalsContact O-CD2 3.27Å; V51-F55 WeakPolarHBondContact O-CD2 3.24Å; V51-F55 PolarHBondContact O-N 3.37Å; K53-F55 VanDerWaalsContact C-N 3.25Å; K53-F55 PolarHBondContact O-N 3.41Å; F55-E57 PolarHBondContact O-N 3.28Å; F55-S58 PolarHBondContact O-N 3.22Å; F55-S58 VanDerWaalsContact O-N 3.13Å; F55-S58 PolarHBondContact O-OG 3.3Å; F55-S58 VanDerWaalsContact O-OG 3.13Å; F55-L61 HydrophobicContact CB-CD2 3.66Å; F55-L61 HydrophobicContact CD2-CD2 4.12Å; F55-L61 HydrophobicContact CG-CD2 3.89Å |
| 56 | Q | 62.4 | Low | 77.4 | Confident | 171 Ų | 171 | 76.8 Ų | 76.8 | 80% | 0.799 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -19.3 | -179.8 | -82.5 | -179.9 | -65.6 | 0 | 0 | 114.6 | K53 S58 | K53-Q56 WeakPolarHBondContact O-CG 3.34Å; Q56-S58 VanDerWaalsContact C-N 3.25Å; Q56-S58 PolarHBondContact O-N 2.85Å |
| 57 | E | 65.6 | Low | 77.8 | Confident | 196 Ų | 196 | 81.7 Ų | 81.7 | 92% | 0.916 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -20.8 | 179.4 | -63.5 | -169.7 | 159.5 | 0 | 0 | 113.9 | F55 P59 | F55-E57 PolarHBondContact O-N 3.28Å; E57-P59 WeakPolarHBondContact O-CD 3.41Å |
| 58 | S | 73.3 | Confident | 78 | Confident | 36 Ų | 36 | 81.6 Ų | 81.6 | 25% | 0.252 | 44% | 0.443 | S | S | . | . | trans | -113.8 | 98.2 | -172.7 | 52.8 | 0 | 0 | 0 | 0 | 112 | F55 Q56 S60 L61 G62 | F55-S58 PolarHBondContact O-N 3.22Å; F55-S58 VanDerWaalsContact O-N 3.13Å; F55-S58 PolarHBondContact O-OG 3.3Å; F55-S58 VanDerWaalsContact O-OG 3.13Å; Q56-S58 VanDerWaalsContact C-N 3.25Å; Q56-S58 PolarHBondContact O-N 2.85Å; S58-S60 PolarHBondContact O-N 2.91Å; S58-L61 WeakPolarHBondContact O-CB 3.48Å; S58-L61 PolarHBondContact O-N 3.02Å; S58-L61 WeakPolarHBondContact OG-CB 3.13Å; S58-G62 PolarHBondContact O-N 3.02Å | ||
| 59 | P | 74.9 | Confident | 78.4 | Confident | 107 Ų | 107 | 81.8 Ų | 81.8 | 70% | 0.695 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.8 | -35.1 | -177.8 | 21.5 | -32.2 | 0 | 0 | 0 | 112.5 | E57 L61 G62 D63 | E57-P59 WeakPolarHBondContact O-CD 3.41Å; P59-L61 VanDerWaalsContact C-N 3.28Å; P59-L61 PolarHBondContact O-N 3.23Å; P59-G62 PolarHBondContact O-N 3.02Å; P59-D63 PolarHBondContact O-N 3.38Å |
| 60 | S | 81.2 | Confident | 79 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 176.1 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | S58 V64 | S58-S60 PolarHBondContact O-N 2.91Å; S60-V64 VanDerWaalsContact O-CG2 3.26Å; S60-V64 WeakPolarHBondContact O-CG2 3.16Å; S60-V64 PolarHBondContact O-N 3.42Å; S60-V64 VanDerWaalsContact O-N 3.13Å |
| 61 | L | 80 | Confident | 79.7 | Confident | 72 Ų | 72 | 83.6 Ų | 83.6 | 38% | 0.377 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -76.2 | -32.9 | -179.7 | -135.6 | 76.5 | 0 | 0 | 0 | 111 | F55 S58 P59 V64 S65 | F55-L61 HydrophobicContact CB-CD2 3.66Å; F55-L61 HydrophobicContact CD2-CD2 4.12Å; F55-L61 HydrophobicContact CG-CD2 3.89Å; S58-L61 WeakPolarHBondContact O-CB 3.48Å; S58-L61 PolarHBondContact O-N 3.02Å; S58-L61 WeakPolarHBondContact OG-CB 3.13Å; P59-L61 VanDerWaalsContact C-N 3.28Å; P59-L61 PolarHBondContact O-N 3.23Å; L61-V64 PolarHBondContact O-N 3.22Å; L61-S65 WeakPolarHBondContact O-CB 3.29Å; L61-S65 PolarHBondContact O-N 3.19Å; L61-S65 PolarHBondContact O-OG 3.37Å |
| 62 | G | 80.6 | Confident | 80.3 | Confident | 24 Ų | 24 | 81.4 Ų | 81.4 | 25% | 0.247 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -55.2 | -53.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | S58 P59 V64 S65 V66 | S58-G62 PolarHBondContact O-N 3.02Å; P59-G62 PolarHBondContact O-N 3.02Å; G62-V64 PolarHBondContact O-N 3.39Å; G62-S65 PolarHBondContact O-N 2.91Å; G62-S65 PolarHBondContact O-OG 2.96Å; G62-V66 WeakPolarHBondContact O-CG2 3.39Å; G62-V66 PolarHBondContact O-N 3.5Å; G62-V66 VanDerWaalsContact O-N 3.07Å |
| 63 | D | 83.7 | Confident | 81.2 | Confident | 123 Ų | 123 | 82.7 Ų | 82.7 | 66% | 0.658 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 179.2 | -69 | -15.9 | 0 | 0 | 0 | 112.5 | P59 S65 V66 F67 | P59-D63 PolarHBondContact O-N 3.38Å; D63-S65 PolarHBondContact O-N 3.37Å; D63-V66 PolarHBondContact O-N 3.44Å; D63-F67 WeakPolarHBondContact O-CB 3.45Å; D63-F67 PolarHBondContact O-N 3.41Å |
| 64 | V | 87.1 | Confident | 82.3 | Confident | 89 Ų | 89 | 84.7 Ų | 84.7 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | S60 L61 G62 F67 L68 | S60-V64 VanDerWaalsContact O-CG2 3.26Å; S60-V64 WeakPolarHBondContact O-CG2 3.16Å; S60-V64 PolarHBondContact O-N 3.42Å; S60-V64 VanDerWaalsContact O-N 3.13Å; L61-V64 PolarHBondContact O-N 3.22Å; G62-V64 PolarHBondContact O-N 3.39Å; V64-F67 WeakPolarHBondContact O-CB 3.22Å; V64-F67 PolarHBondContact O-N 3.06Å; V64-L68 WeakPolarHBondContact O-CB 3.43Å; V64-L68 PolarHBondContact O-N 3.23Å |
| 65 | S | 85.4 | Confident | 83.3 | Confident | 9 Ų | 9 | 80.6 Ų | 80.6 | 6% | 0.063 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 178.7 | 73 | 0 | 0 | 0 | 0 | 112.4 | P48 A52 L61 G62 D63 F67 L68 T69 | P48-S65 WeakPolarHBondContact O-CB 3.45Å; A52-S65 WeakPolarHBondContact CB-OG 3.31Å; L61-S65 WeakPolarHBondContact O-CB 3.29Å; L61-S65 PolarHBondContact O-N 3.19Å; L61-S65 PolarHBondContact O-OG 3.37Å; G62-S65 PolarHBondContact O-N 2.91Å; G62-S65 PolarHBondContact O-OG 2.96Å; D63-S65 PolarHBondContact O-N 3.37Å; S65-F67 VanDerWaalsContact C-N 3.35Å; S65-L68 PolarHBondContact O-N 2.84Å; S65-T69 PolarHBondContact O-N 2.81Å; S65-T69 PolarHBondContact O-OG1 2.9Å; S65-T69 VanDerWaalsContact O-OG1 3.04Å |
| 66 | V | 84.9 | Confident | 84.4 | Confident | 87 Ų | 87 | 75.1 Ų | 75.1 | 53% | 0.527 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66 | -41 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | G62 D63 T69 T70 | G62-V66 WeakPolarHBondContact O-CG2 3.39Å; G62-V66 PolarHBondContact O-N 3.5Å; G62-V66 VanDerWaalsContact O-N 3.07Å; D63-V66 PolarHBondContact O-N 3.44Å; V66-T69 PolarHBondContact O-N 3.2Å; V66-T70 WeakPolarHBondContact O-CB 3.49Å; V66-T70 PolarHBondContact O-N 2.92Å; V66-T70 PolarHBondContact O-OG1 2.75Å |
| 67 | F | 90.5 | Very high | 85.8 | Confident | 137 Ų | 137 | 70 Ų | 70 | 60% | 0.601 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.4 | -47 | 174.7 | -178.8 | -108.5 | 0 | 0 | 0 | 111.8 | D63 V64 S65 T69 T70 I71 | D63-F67 WeakPolarHBondContact O-CB 3.45Å; D63-F67 PolarHBondContact O-N 3.41Å; V64-F67 WeakPolarHBondContact O-CB 3.22Å; V64-F67 PolarHBondContact O-N 3.06Å; S65-F67 VanDerWaalsContact C-N 3.35Å; F67-T69 PolarHBondContact O-N 2.95Å; F67-T70 WeakPolarHBondContact O-CB 3.18Å; F67-T70 PolarHBondContact O-N 3.38Å; F67-I71 HydrophobicContact CD1-CD1 3.86Å; F67-I71 HydrophobicContact CE1-CD1 3.4Å; F67-I71 VanDerWaalsContact CE1-CD1 3.4Å; F67-I71 HydrophobicContact CE1-CG1 4.45Å; F67-I71 HydrophobicContact CE2-CD1 4.44Å; F67-I71 HydrophobicContact CZ-CD1 3.74Å; F67-I71 HydrophobicContact CZ-CG1 4.44Å; F67-I71 PolarHBondContact O-N 2.87Å |
| 68 | L | 90 | Very high | 87.1 | Confident | 87 Ų | 87 | 63.1 Ų | 63.1 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 178.7 | -169.8 | 67.3 | 0 | 0 | 0 | 112.1 | P48 V64 S65 T70 I71 I72 | P48-L68 HydrophobicContact CB-CB 4.43Å; P48-L68 HydrophobicContact CB-CD2 4.14Å; P48-L68 HydrophobicContact CG-CD2 3.86Å; P48-L68 HydrophobicContact CG-CG 4.19Å; V64-L68 WeakPolarHBondContact O-CB 3.43Å; V64-L68 PolarHBondContact O-N 3.23Å; S65-L68 PolarHBondContact O-N 2.84Å; L68-T70 VanDerWaalsContact C-N 3.29Å; L68-T70 PolarHBondContact O-N 3.5Å; L68-I71 WeakPolarHBondContact O-CB 3.39Å; L68-I71 PolarHBondContact O-N 2.96Å; L68-I72 HydrophobicContact CG-CD1 4.26Å; L68-I72 WeakPolarHBondContact O-CD1 3.45Å; L68-I72 WeakPolarHBondContact O-CG1 3.49Å; L68-I72 PolarHBondContact O-N 3.07Å |
| 69 | T | 89.2 | Confident | 87.9 | Confident | 14 Ų | 14 | 63 Ų | 63 | 9% | 0.086 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | P48 L49 S65 V66 F67 I71 I72 I73 | P48-T69 WeakPolarHBondContact CB-OG1 3.49Å; L49-T69 HydrophobicContact CD1-CG2 3.58Å; L49-T69 WeakPolarHBondContact CD1-OG1 3.4Å; S65-T69 PolarHBondContact O-N 2.81Å; S65-T69 PolarHBondContact O-OG1 2.9Å; S65-T69 VanDerWaalsContact O-OG1 3.04Å; V66-T69 PolarHBondContact O-N 3.2Å; F67-T69 PolarHBondContact O-N 2.95Å; T69-I71 VanDerWaalsContact C-N 3.33Å; T69-I71 PolarHBondContact O-N 3.24Å; T69-I72 WeakPolarHBondContact O-CB 3.43Å; T69-I72 PolarHBondContact O-N 3.36Å; T69-I73 HydrophobicContact CG2-CD1 3.74Å; T69-I73 HydrophobicContact CG2-CG1 4.24Å; T69-I73 WeakPolarHBondContact O-CG1 3.08Å; T69-I73 PolarHBondContact O-N 2.7Å |
| 70 | T | 90.8 | Very high | 88.5 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 177.5 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | V66 F67 L68 I72 I73 V74 | V66-T70 WeakPolarHBondContact O-CB 3.49Å; V66-T70 PolarHBondContact O-N 2.92Å; V66-T70 PolarHBondContact O-OG1 2.75Å; F67-T70 WeakPolarHBondContact O-CB 3.18Å; F67-T70 PolarHBondContact O-N 3.38Å; L68-T70 VanDerWaalsContact C-N 3.29Å; L68-T70 PolarHBondContact O-N 3.5Å; T70-I72 VanDerWaalsContact C-N 3.34Å; T70-I72 PolarHBondContact O-N 3.49Å; T70-I73 PolarHBondContact O-N 3.19Å; T70-V74 HydrophobicContact CG2-CG2 4.26Å; T70-V74 WeakPolarHBondContact O-CB 3.1Å; T70-V74 VanDerWaalsContact O-CG2 3.24Å; T70-V74 WeakPolarHBondContact O-CG2 3.35Å; T70-V74 PolarHBondContact O-N 3.47Å |
| 71 | I | 93 | Very high | 88.9 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 174.8 | -69.1 | 168.5 | 0 | 0 | 0 | 111.3 | F67 L68 T69 S75 | F67-I71 HydrophobicContact CD1-CD1 3.86Å; F67-I71 HydrophobicContact CE1-CD1 3.4Å; F67-I71 VanDerWaalsContact CE1-CD1 3.4Å; F67-I71 HydrophobicContact CE1-CG1 4.45Å; F67-I71 HydrophobicContact CE2-CD1 4.44Å; F67-I71 HydrophobicContact CZ-CD1 3.74Å; F67-I71 HydrophobicContact CZ-CG1 4.44Å; F67-I71 PolarHBondContact O-N 2.87Å; L68-I71 WeakPolarHBondContact O-CB 3.39Å; L68-I71 PolarHBondContact O-N 2.96Å; T69-I71 VanDerWaalsContact C-N 3.33Å; T69-I71 PolarHBondContact O-N 3.24Å; I71-S75 VanDerWaalsContact O-CB 3.29Å; I71-S75 WeakPolarHBondContact O-CB 3.47Å; I71-S75 PolarHBondContact O-N 3.49Å; I71-S75 PolarHBondContact O-OG 3.13Å |
| 72 | I | 91.2 | Very high | 89.3 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 179 | -71 | 158.4 | 0 | 0 | 0 | 110.8 | F41 I44 A45 P48 L68 T69 T70 S75 A76 | F41-I72 HydrophobicContact CB-CG2 4.33Å; F41-I72 HydrophobicContact CD1-CG2 4.04Å; I44-I72 HydrophobicContact CG2-CD1 3.73Å; I44-I72 HydrophobicContact CG2-CG1 4.33Å; A45-I72 HydrophobicContact CB-CG2 3.94Å; P48-I72 HydrophobicContact CG-CD1 3.74Å; L68-I72 HydrophobicContact CG-CD1 4.26Å; L68-I72 WeakPolarHBondContact O-CD1 3.45Å; L68-I72 WeakPolarHBondContact O-CG1 3.49Å; L68-I72 PolarHBondContact O-N 3.07Å; T69-I72 WeakPolarHBondContact O-CB 3.43Å; T69-I72 PolarHBondContact O-N 3.36Å; T70-I72 VanDerWaalsContact C-N 3.34Å; T70-I72 PolarHBondContact O-N 3.49Å; I72-S75 PolarHBondContact O-N 3.36Å; I72-A76 PolarHBondContact O-N 3.4Å |
| 73 | I | 91.7 | Very high | 89.5 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 28% | 0.277 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -50.3 | -180 | -67.4 | 173 | 0 | 0 | 0 | 110.2 | T69 T70 S75 A76 Y77 F109 | T69-I73 HydrophobicContact CG2-CD1 3.74Å; T69-I73 HydrophobicContact CG2-CG1 4.24Å; T69-I73 WeakPolarHBondContact O-CG1 3.08Å; T69-I73 PolarHBondContact O-N 2.7Å; T70-I73 PolarHBondContact O-N 3.19Å; I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 PolarHBondContact O-N 2.7Å; I73-A76 WeakPolarHBondContact O-CB 3.48Å; I73-A76 PolarHBondContact O-N 2.65Å; I73-A76 VanDerWaalsContact O-N 3.12Å; I73-Y77 HydrophobicContact CG2-CD2 3.87Å; I73-Y77 HydrophobicContact CG2-CE2 3.63Å; I73-Y77 WeakPolarHBondContact O-CD2 3.32Å; I73-Y77 PolarHBondContact O-N 3.2Å; I73-Y77 VanDerWaalsContact O-N 3.15Å; I73-F109 HydrophobicContact CD1-CD1 4.47Å; I73-F109 HydrophobicContact CG1-CD1 3.94Å; I73-F109 HydrophobicContact CG1-CE1 3.85Å; I73-F109 HydrophobicContact CG1-CG 4.4Å; I73-F109 HydrophobicContact CG1-CZ 4.24Å; I73-F109 HydrophobicContact CG2-CD2 4.29Å; I73-F109 HydrophobicContact CG2-CE2 4.32Å |
| 74 | V | 92.8 | Very high | 89.5 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 53% | 0.527 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59 | -39.9 | 179.1 | 172.1 | 0 | 0 | 0 | 0 | 111 | T70 A76 Y77 A78 | T70-V74 HydrophobicContact CG2-CG2 4.26Å; T70-V74 WeakPolarHBondContact O-CB 3.1Å; T70-V74 VanDerWaalsContact O-CG2 3.24Å; T70-V74 WeakPolarHBondContact O-CG2 3.35Å; T70-V74 PolarHBondContact O-N 3.47Å; V74-A76 PolarHBondContact O-N 2.91Å; V74-Y77 PolarHBondContact O-N 2.97Å; V74-A78 WeakPolarHBondContact O-CB 3.38Å; V74-A78 PolarHBondContact O-N 3.38Å |
| 75 | S | 92.2 | Very high | 89.2 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 177 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | I71 I72 I73 Y77 A78 L79 | I71-S75 VanDerWaalsContact O-CB 3.29Å; I71-S75 WeakPolarHBondContact O-CB 3.47Å; I71-S75 PolarHBondContact O-N 3.49Å; I71-S75 PolarHBondContact O-OG 3.13Å; I72-S75 PolarHBondContact O-N 3.36Å; I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 PolarHBondContact O-N 2.7Å; S75-Y77 VanDerWaalsContact C-N 3.27Å; S75-Y77 PolarHBondContact O-N 2.99Å; S75-A78 PolarHBondContact O-N 2.97Å; S75-L79 WeakPolarHBondContact O-CB 3.39Å; S75-L79 PolarHBondContact O-N 3.47Å |
| 76 | A | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -31 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M38 F41 I72 I73 V74 P80 N105 F109 | M38-A76 HydrophobicContact SD-CB 4.39Å; F41-A76 HydrophobicContact CB-CB 4Å; F41-A76 HydrophobicContact CD2-CB 4Å; F41-A76 HydrophobicContact CG-CB 4.07Å; I72-A76 PolarHBondContact O-N 3.4Å; I73-A76 WeakPolarHBondContact O-CB 3.48Å; I73-A76 PolarHBondContact O-N 2.65Å; I73-A76 VanDerWaalsContact O-N 3.12Å; V74-A76 PolarHBondContact O-N 2.91Å; A76-P80 WeakPolarHBondContact O-CD 3.36Å; A76-P80 WeakPolarHBondContact O-CG 3.29Å; A76-N105 PolarHBondContact O-ND2 3.48Å; A76-F109 HydrophobicContact CB-CE2 3.64Å; A76-F109 HydrophobicContact CB-CZ 3.49Å; A76-F109 VanDerWaalsContact CB-CZ 3.49Å |
| 77 | Y | 92.4 | Very high | 88.2 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -82.7 | -34.9 | 173.7 | -75.2 | -75.8 | 0 | 0 | 0 | 113.8 | I73 V74 S75 P80 I81 L102 N105 T106 F109 | I73-Y77 HydrophobicContact CG2-CD2 3.87Å; I73-Y77 HydrophobicContact CG2-CE2 3.63Å; I73-Y77 WeakPolarHBondContact O-CD2 3.32Å; I73-Y77 PolarHBondContact O-N 3.2Å; I73-Y77 VanDerWaalsContact O-N 3.15Å; V74-Y77 PolarHBondContact O-N 2.97Å; S75-Y77 VanDerWaalsContact C-N 3.27Å; S75-Y77 PolarHBondContact O-N 2.99Å; Y77-P80 VanDerWaalsContact O-CD 3.29Å; Y77-P80 WeakPolarHBondContact O-CD 3.46Å; Y77-P80 WeakPolarHBondContact O-CG 3.38Å; Y77-I81 VanDerWaalsContact O-CD1 3.23Å; Y77-I81 WeakPolarHBondContact O-CD1 3.3Å; Y77-I81 WeakPolarHBondContact O-CG1 3.42Å; Y77-L102 HydrophobicContact CD1-CD2 3.64Å; Y77-L102 HydrophobicContact CE1-CD2 4.38Å; Y77-N105 HydrophobicContact CD1-CB 4.39Å; Y77-N105 HydrophobicContact CE1-CB 3.82Å; Y77-T106 HydrophobicContact CE1-CG2 3.85Å; Y77-T106 WeakPolarHBondContact OH-CA 3.45Å; Y77-T106 WeakPolarHBondContact OH-CG2 3.29Å; Y77-T106 PolarHBondContact OH-N 3.43Å; Y77-F109 AromaticContact CE2-CD2 3.81Å; Y77-F109 HydrophobicContact CE2-CD2 3.81Å; Y77-F109 HydrophobicContact CE2-CE2 4.01Å |
| 78 | A | 92.5 | Very high | 86.9 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V74 S75 I81 L82 | V74-A78 WeakPolarHBondContact O-CB 3.38Å; V74-A78 PolarHBondContact O-N 3.38Å; S75-A78 PolarHBondContact O-N 2.97Å; A78-I81 PolarHBondContact O-N 3.34Å; A78-L82 WeakPolarHBondContact O-CB 3.26Å; A78-L82 PolarHBondContact O-N 3.32Å |
| 79 | L | 90.1 | Very high | 86 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 17% | 0.173 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | -175.6 | -170 | 74.7 | 0 | 0 | 0 | 115.3 | F37 M38 F41 S75 I81 L82 F83 | F37-L79 HydrophobicContact CB-CD2 4.4Å; F37-L79 HydrophobicContact CD1-CD2 3.11Å; F37-L79 HydrophobicContact CE1-CD2 3.53Å; F37-L79 HydrophobicContact CG-CD2 4Å; M38-L79 HydrophobicContact CE-CB 3.87Å; M38-L79 HydrophobicContact CE-CD2 3.73Å; M38-L79 HydrophobicContact CE-CG 3.98Å; M38-L79 HydrophobicContact SD-CD2 4.39Å; F41-L79 HydrophobicContact CE2-CD2 4.08Å; S75-L79 WeakPolarHBondContact O-CB 3.39Å; S75-L79 PolarHBondContact O-N 3.47Å; L79-I81 VanDerWaalsContact C-N 3.28Å; L79-I81 PolarHBondContact O-N 3.04Å; L79-L82 WeakPolarHBondContact O-CB 3.1Å; L79-L82 PolarHBondContact O-N 3.34Å; L79-F83 HydrophobicContact CD1-CD1 4.4Å; L79-F83 HydrophobicContact CD1-CE1 3.81Å; L79-F83 HydrophobicContact CD1-CZ 3.9Å; L79-F83 HydrophobicContact CD2-CE2 4.19Å; L79-F83 HydrophobicContact CD2-CZ 4.1Å; L79-F83 HydrophobicContact CG-CD2 4.48Å; L79-F83 HydrophobicContact CG-CE1 4.18Å; L79-F83 HydrophobicContact CG-CE2 4.08Å; L79-F83 HydrophobicContact CG-CZ 3.93Å; L79-F83 WeakPolarHBondContact O-CG 3.05Å; L79-F83 PolarHBondContact O-N 2.93Å |
| 80 | P | 87.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.5 | -34 | 176.6 | 24.7 | -29.8 | 0 | 0 | 0 | 111.7 | M38 A76 Y77 L82 F83 A84 T101 L102 | M38-P80 HydrophobicContact CE-CB 4.02Å; M38-P80 HydrophobicContact CE-CG 3.98Å; A76-P80 WeakPolarHBondContact O-CD 3.36Å; A76-P80 WeakPolarHBondContact O-CG 3.29Å; Y77-P80 VanDerWaalsContact O-CD 3.29Å; Y77-P80 WeakPolarHBondContact O-CD 3.46Å; Y77-P80 WeakPolarHBondContact O-CG 3.38Å; P80-L82 VanDerWaalsContact C-N 3.34Å; P80-F83 PolarHBondContact O-N 3.4Å; P80-A84 PolarHBondContact O-N 3.2Å; P80-T101 VanDerWaalsContact CB-OG1 3.29Å; P80-T101 WeakPolarHBondContact CB-OG1 3.39Å; P80-L102 HydrophobicContact CG-CD2 3.95Å |
| 81 | I | 88.7 | Confident | 84 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 40% | 0.395 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 174.3 | -60.1 | 169.2 | 0 | 0 | 0 | 110.2 | Y77 A78 L79 A84 R85 L102 | Y77-I81 VanDerWaalsContact O-CD1 3.23Å; Y77-I81 WeakPolarHBondContact O-CD1 3.3Å; Y77-I81 WeakPolarHBondContact O-CG1 3.42Å; A78-I81 PolarHBondContact O-N 3.34Å; L79-I81 VanDerWaalsContact C-N 3.28Å; L79-I81 PolarHBondContact O-N 3.04Å; I81-A84 PolarHBondContact O-N 2.92Å; I81-R85 WeakPolarHBondContact O-CG 3.36Å; I81-R85 PolarHBondContact O-N 3.43Å; I81-L102 HydrophobicContact CD1-CD2 4.41Å; I81-L102 HydrophobicContact CG1-CD1 4.39Å; I81-L102 HydrophobicContact CG1-CD2 4.3Å |
| 82 | L | 89.4 | Confident | 83.1 | Confident | 100 Ų | 100 | 69 Ų | 69 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175.4 | -176.9 | 61 | 0 | 0 | 0 | 111.3 | A78 L79 P80 A84 R85 A86 | A78-L82 WeakPolarHBondContact O-CB 3.26Å; A78-L82 PolarHBondContact O-N 3.32Å; L79-L82 WeakPolarHBondContact O-CB 3.1Å; L79-L82 PolarHBondContact O-N 3.34Å; P80-L82 VanDerWaalsContact C-N 3.34Å; L82-A84 VanDerWaalsContact C-N 3.28Å; L82-A84 PolarHBondContact O-N 3.47Å; L82-R85 PolarHBondContact O-N 3.02Å; L82-A86 HydrophobicContact CD1-CB 4.27Å; L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.85Å |
| 83 | F | 84.1 | Confident | 82.6 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 11% | 0.114 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.1 | -27.9 | 176.7 | -73.4 | -5.6 | 0 | 0 | 0 | 113.6 | W34 L79 P80 R85 L92 I93 | W34-F83 HydrophobicContact CB-CD2 4.15Å; W34-F83 HydrophobicContact CB-CE2 4Å; W34-F83 HydrophobicContact CE3-CE2 4.17Å; W34-F83 HydrophobicContact CE3-CZ 4.08Å; L79-F83 HydrophobicContact CD1-CD1 4.4Å; L79-F83 HydrophobicContact CD1-CE1 3.81Å; L79-F83 HydrophobicContact CD1-CZ 3.9Å; L79-F83 HydrophobicContact CD2-CE2 4.19Å; L79-F83 HydrophobicContact CD2-CZ 4.1Å; L79-F83 HydrophobicContact CG-CD2 4.48Å; L79-F83 HydrophobicContact CG-CE1 4.18Å; L79-F83 HydrophobicContact CG-CE2 4.08Å; L79-F83 HydrophobicContact CG-CZ 3.93Å; L79-F83 WeakPolarHBondContact O-CG 3.05Å; L79-F83 PolarHBondContact O-N 2.93Å; P80-F83 PolarHBondContact O-N 3.4Å; F83-R85 VanDerWaalsContact C-N 3.25Å; F83-R85 PolarHBondContact O-N 3.07Å; F83-L92 HydrophobicContact CB-CB 4.12Å; F83-L92 HydrophobicContact CD1-CD1 3.66Å; F83-L92 HydrophobicContact CE1-CD1 3.91Å; F83-L92 HydrophobicContact CG-CB 4.36Å; F83-L92 HydrophobicContact CG-CD1 4.08Å; F83-L92 PolarHBondContact O-N 3.33Å; F83-I93 HydrophobicContact CB-CB 4.17Å; F83-I93 HydrophobicContact CB-CD1 3.79Å; F83-I93 HydrophobicContact CB-CG1 3.95Å; F83-I93 HydrophobicContact CD2-CD1 3.67Å; F83-I93 HydrophobicContact CD2-CG1 4.37Å; F83-I93 HydrophobicContact CG-CD1 4.25Å; F83-I93 PolarHBondContact O-N 3.41Å |
| 84 | A | 83.1 | Confident | 82.2 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.2 | -19.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P80 I81 L82 I93 W95 C98 | P80-A84 PolarHBondContact O-N 3.2Å; I81-A84 PolarHBondContact O-N 2.92Å; L82-A84 VanDerWaalsContact C-N 3.28Å; L82-A84 PolarHBondContact O-N 3.47Å; A84-I93 WeakPolarHBondContact CA-O 3.06Å; A84-W95 HydrophobicContact CB-CD2 4.1Å; A84-W95 HydrophobicContact CB-CE3 3.9Å; A84-W95 HydrophobicContact CB-CH2 4.17Å; A84-W95 HydrophobicContact CB-CZ2 4.36Å; A84-W95 HydrophobicContact CB-CZ3 3.93Å; A84-C98 HydrophobicContact CB-CB 4.04Å |
| 85 | R | 81.9 | Confident | 81.8 | Confident | 173 Ų | 173 | 72.9 Ų | 72.9 | 65% | 0.653 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -107 | -29.6 | -176.5 | -63.7 | -71.4 | -79.1 | -117.9 | -3.6 | 113.3 | I81 L82 F83 W95 | I81-R85 WeakPolarHBondContact O-CG 3.36Å; I81-R85 PolarHBondContact O-N 3.43Å; L82-R85 PolarHBondContact O-N 3.02Å; F83-R85 VanDerWaalsContact C-N 3.25Å; F83-R85 PolarHBondContact O-N 3.07Å; R85-W95 VanDerWaalsContact CD-CZ2 3.48Å; R85-W95 HydrophobicContact CG-CH2 4.11Å; R85-W95 HydrophobicContact CG-CZ2 4.25Å |
| 86 | A | 79.7 | Confident | 81.5 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -122.4 | 137.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111 | L82 | L82-A86 HydrophobicContact CD1-CB 4.27Å; L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.85Å |
| 87 | P | 68.4 | Low | 81.2 | Confident | 66 Ų | 66 | 72.7 Ų | 72.7 | 43% | 0.429 | 37% | 0.371 | S | S | . | . | S | Bend | cis | -78.2 | 152.1 | -7.6 | 26.8 | -28.1 | 0 | 0 | 0 | 113.5 | E89 N90 | P87-E89 VanDerWaalsContact C-N 3.26Å; P87-E89 PolarHBondContact O-N 3.1Å; P87-N90 WeakPolarHBondContact CD-O 3.02Å; P87-N90 VanDerWaalsContact CG-O 3.23Å; P87-N90 WeakPolarHBondContact CG-O 3.46Å; P87-N90 CarbonylContact O-C 3.27Å; P87-N90 VanDerWaalsContact O-C 3.27Å; P87-N90 PolarHBondContact O-N 3.42Å |
| 88 | K | 65.1 | Low | 81.1 | Confident | 205 Ų | 205 | 69.8 Ų | 69.8 | 89% | 0.891 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -57.2 | -34.2 | -176.7 | -78.6 | -171.4 | 178.8 | 177.1 | 0 | 114.2 | ||
| 89 | E | 70.8 | Confident | 80.9 | Confident | 174 Ų | 174 | 69.1 Ų | 69.1 | 81% | 0.813 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -77.2 | -38.2 | -178.3 | -62.2 | -78.3 | 136.4 | 0 | 0 | 111.6 | P87 | P87-E89 VanDerWaalsContact C-N 3.26Å; P87-E89 PolarHBondContact O-N 3.1Å |
| 90 | N | 69.9 | Low | 81 | Confident | 124 Ų | 124 | 69.4 Ų | 69.4 | 66% | 0.663 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -142 | 84.8 | -172.6 | -73.8 | -36.4 | 0 | 0 | 0 | 109.8 | P87 L92 | P87-N90 WeakPolarHBondContact CD-O 3.02Å; P87-N90 VanDerWaalsContact CG-O 3.23Å; P87-N90 WeakPolarHBondContact CG-O 3.46Å; P87-N90 CarbonylContact O-C 3.27Å; P87-N90 VanDerWaalsContact O-C 3.27Å; P87-N90 PolarHBondContact O-N 3.42Å; N90-L92 PolarHBondContact O-N 2.86Å |
| 91 | P | 68.1 | Low | 81.2 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | trans | -57.8 | 129.9 | -178.9 | 23.6 | -32.9 | 0 | 0 | 0 | 110.3 | I93 | P91-I93 PolarHBondContact O-N 3.19Š| ||
| 92 | L | 73.5 | Confident | 81.4 | Confident | 47 Ų | 47 | 68 Ų | 68 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -65.8 | -27.1 | -178.5 | -64.3 | 177.8 | 0 | 0 | 0 | 112 | V32 F83 N90 | V32-L92 WeakPolarHBondContact CG2-O 3.46Å; F83-L92 HydrophobicContact CB-CB 4.12Å; F83-L92 HydrophobicContact CD1-CD1 3.66Å; F83-L92 HydrophobicContact CE1-CD1 3.91Å; F83-L92 HydrophobicContact CG-CB 4.36Å; F83-L92 HydrophobicContact CG-CD1 4.08Å; F83-L92 PolarHBondContact O-N 3.33Å; N90-L92 PolarHBondContact O-N 2.86Å |
| 93 | I | 79.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -140.3 | 132.7 | -178.1 | -66.8 | -176.7 | 0 | 0 | 0 | 108.5 | V32 W34 P35 F83 A84 P91 A97 C98 | V32-I93 HydrophobicContact CG2-CG1 4.35Å; W34-I93 HydrophobicContact CB-CD1 4.49Å; P35-I93 HydrophobicContact CB-CD1 4.16Å; P35-I93 HydrophobicContact CG-CD1 3.73Å; P35-I93 HydrophobicContact CG-CG1 4.32Å; F83-I93 HydrophobicContact CB-CB 4.17Å; F83-I93 HydrophobicContact CB-CD1 3.79Å; F83-I93 HydrophobicContact CB-CG1 3.95Å; F83-I93 HydrophobicContact CD2-CD1 3.67Å; F83-I93 HydrophobicContact CD2-CG1 4.37Å; F83-I93 HydrophobicContact CG-CD1 4.25Å; F83-I93 PolarHBondContact O-N 3.41Å; A84-I93 WeakPolarHBondContact CA-O 3.06Å; P91-I93 PolarHBondContact O-N 3.19Å; I93-A97 HydrophobicContact CG2-CB 3.52Å; I93-C98 HydrophobicContact CG2-CB 4.17Å |
| 94 | L | 84 | Confident | 82.1 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 45% | 0.445 | 34% | 0.335 | S | S | . | . | trans | -71.1 | 151.3 | 170 | -101.5 | 73.5 | 0 | 0 | 0 | 110.9 | Y30 G96 A97 C98 | Y30-L94 HydrophobicContact CD1-CB 3.74Å; Y30-L94 HydrophobicContact CD1-CD2 4.3Å; Y30-L94 HydrophobicContact CD1-CG 4.44Å; Y30-L94 HydrophobicContact CE1-CB 3.4Å; Y30-L94 VanDerWaalsContact CE1-CB 3.4Å; Y30-L94 HydrophobicContact CE1-CD2 3.85Å; Y30-L94 HydrophobicContact CE1-CG 4.2Å; L94-G96 PolarHBondContact O-N 2.82Å; L94-A97 WeakPolarHBondContact O-CA 3.48Å; L94-A97 PolarHBondContact O-N 3.49Å; L94-C98 PolarHBondContact O-N 2.87Å | ||
| 95 | W | 84 | Confident | 82.6 | Confident | 153 Ų | 153 | 63.4 Ų | 63.4 | 58% | 0.58 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -51.9 | -33.2 | 178.1 | -73.6 | 108.4 | 0 | 0 | 0 | 114.6 | A84 R85 C98 G99 | A84-W95 HydrophobicContact CB-CD2 4.1Å; A84-W95 HydrophobicContact CB-CE3 3.9Å; A84-W95 HydrophobicContact CB-CH2 4.17Å; A84-W95 HydrophobicContact CB-CZ2 4.36Å; A84-W95 HydrophobicContact CB-CZ3 3.93Å; R85-W95 VanDerWaalsContact CD-CZ2 3.48Å; R85-W95 HydrophobicContact CG-CH2 4.11Å; R85-W95 HydrophobicContact CG-CZ2 4.25Å; W95-C98 WeakPolarHBondContact O-CB 3.42Å; W95-C98 PolarHBondContact O-N 3.44Å; W95-G99 PolarHBondContact O-N 2.89Å |
| 96 | G | 85.6 | Confident | 83.2 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y30 L94 C98 G99 L100 | Y30-G96 VanDerWaalsContact OH-CA 3.3Å; Y30-G96 WeakPolarHBondContact OH-CA 3.24Å; L94-G96 PolarHBondContact O-N 2.82Å; G96-C98 VanDerWaalsContact C-N 3.35Å; G96-G99 PolarHBondContact O-N 2.99Å; G96-L100 PolarHBondContact O-N 2.89Å; G96-L100 VanDerWaalsContact O-N 3.07Å |
| 97 | A | 87 | Confident | 83.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.1 | -38 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A24 Y30 I93 L94 G99 L100 T101 | A24-A97 HydrophobicContact CB-CB 4.29Å; Y30-A97 HydrophobicContact CD1-CB 3.83Å; Y30-A97 HydrophobicContact CD2-CB 3.67Å; Y30-A97 HydrophobicContact CE1-CB 3.91Å; Y30-A97 HydrophobicContact CE2-CB 3.75Å; Y30-A97 HydrophobicContact CG-CB 3.72Å; Y30-A97 VanDerWaalsContact CZ-N 3.34Å; Y30-A97 PolarHBondContact OH-N 2.95Å; I93-A97 HydrophobicContact CG2-CB 3.52Å; L94-A97 WeakPolarHBondContact O-CA 3.48Å; L94-A97 PolarHBondContact O-N 3.49Å; A97-G99 VanDerWaalsContact C-N 3.32Å; A97-G99 PolarHBondContact O-N 2.9Å; A97-L100 PolarHBondContact O-N 3.44Å; A97-T101 WeakPolarHBondContact O-CG2 3.48Å; A97-T101 PolarHBondContact O-N 3.34Å; A97-T101 PolarHBondContact O-OG1 3.5Å |
| 98 | C | 88.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 171.2 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | A84 I93 L94 W95 G96 L100 T101 L102 | A84-C98 HydrophobicContact CB-CB 4.04Å; I93-C98 HydrophobicContact CG2-CB 4.17Å; L94-C98 PolarHBondContact O-N 2.87Å; W95-C98 WeakPolarHBondContact O-CB 3.42Å; W95-C98 PolarHBondContact O-N 3.44Å; G96-C98 VanDerWaalsContact C-N 3.35Å; C98-L100 PolarHBondContact O-N 3.43Å; C98-T101 WeakPolarHBondContact CA-OG1 3.04Å; C98-T101 PolarHBondContact O-N 3.23Å; C98-T101 PolarHBondContact O-OG1 3.43Å; C98-L102 WeakPolarHBondContact O-CB 3.5Å; C98-L102 VanDerWaalsContact O-CG 3.25Å; C98-L102 WeakPolarHBondContact O-CG 3.42Å; C98-L102 PolarHBondContact O-N 3.05Å |
| 99 | G | 90.3 | Very high | 86.4 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W95 G96 A97 T101 L102 S103 | W95-G99 PolarHBondContact O-N 2.89Å; G96-G99 PolarHBondContact O-N 2.99Å; A97-G99 VanDerWaalsContact C-N 3.32Å; A97-G99 PolarHBondContact O-N 2.9Å; G99-T101 PolarHBondContact O-N 3.21Å; G99-L102 PolarHBondContact O-N 3.29Å; G99-S103 PolarHBondContact O-N 3.25Å; G99-S103 PolarHBondContact O-OG 3.33Å |
| 100 | L | 91.1 | Very high | 87.4 | Confident | 38 Ų | 38 | 42.8 Ų | 42.8 | 20% | 0.199 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.9 | -69.8 | 172.1 | 0 | 0 | 0 | 111.8 | F20 L23 A24 Y30 G96 A97 C98 L102 S103 A104 | F20-L100 HydrophobicContact CD1-CD2 3.94Å; F20-L100 HydrophobicContact CE1-CD2 4.48Å; L23-L100 HydrophobicContact CB-CD1 4.24Å; A24-L100 HydrophobicContact CB-CB 3.95Å; Y30-L100 HydrophobicContact CE2-CD1 4.27Å; G96-L100 PolarHBondContact O-N 2.89Å; G96-L100 VanDerWaalsContact O-N 3.07Å; A97-L100 PolarHBondContact O-N 3.44Å; C98-L100 PolarHBondContact O-N 3.43Å; L100-L102 PolarHBondContact O-N 2.91Å; L100-S103 WeakPolarHBondContact CA-OG 3.36Å; L100-S103 PolarHBondContact O-N 3.24Å; L100-S103 PolarHBondContact O-OG 3.2Å; L100-A104 WeakPolarHBondContact O-CB 3.41Å; L100-A104 PolarHBondContact O-N 3.13Å |
| 101 | T | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 178.3 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | L21 A24 P35 P80 A97 C98 G99 S103 A104 N105 | L21-T101 HydrophobicContact CD1-CG2 4.33Å; A24-T101 HydrophobicContact CB-CG2 3.54Å; P35-T101 HydrophobicContact CB-CG2 3.52Å; P35-T101 HydrophobicContact CG-CG2 4.26Å; P80-T101 VanDerWaalsContact CB-OG1 3.29Å; P80-T101 WeakPolarHBondContact CB-OG1 3.39Å; A97-T101 WeakPolarHBondContact O-CG2 3.48Å; A97-T101 PolarHBondContact O-N 3.34Å; A97-T101 PolarHBondContact O-OG1 3.5Å; C98-T101 WeakPolarHBondContact CA-OG1 3.04Å; C98-T101 PolarHBondContact O-N 3.23Å; C98-T101 PolarHBondContact O-OG1 3.43Å; G99-T101 PolarHBondContact O-N 3.21Å; T101-S103 VanDerWaalsContact C-N 3.33Å; T101-S103 PolarHBondContact O-N 3.25Å; T101-A104 PolarHBondContact O-N 3.31Å; T101-N105 WeakPolarHBondContact O-CB 3.27Å; T101-N105 PolarHBondContact O-N 3.38Å; T101-N105 PolarHBondContact O-OD1 3.45Å; T101-N105 VanDerWaalsContact O-OD1 3.13Å |
| 102 | L | 92.7 | Very high | 89.5 | Confident | 47 Ų | 47 | 35.8 Ų | 35.8 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 175.8 | -69.1 | 170.1 | 0 | 0 | 0 | 110.8 | Y77 P80 I81 C98 G99 L100 N105 T106 | Y77-L102 HydrophobicContact CD1-CD2 3.64Å; Y77-L102 HydrophobicContact CE1-CD2 4.38Å; P80-L102 HydrophobicContact CG-CD2 3.95Å; I81-L102 HydrophobicContact CD1-CD2 4.41Å; I81-L102 HydrophobicContact CG1-CD1 4.39Å; I81-L102 HydrophobicContact CG1-CD2 4.3Å; C98-L102 WeakPolarHBondContact O-CB 3.5Å; C98-L102 VanDerWaalsContact O-CG 3.25Å; C98-L102 WeakPolarHBondContact O-CG 3.42Å; C98-L102 PolarHBondContact O-N 3.05Å; G99-L102 PolarHBondContact O-N 3.29Å; L100-L102 PolarHBondContact O-N 2.91Å; L102-N105 PolarHBondContact O-N 3.24Å; L102-T106 WeakPolarHBondContact O-CG2 3.16Å; L102-T106 PolarHBondContact O-N 2.87Å; L102-T106 PolarHBondContact O-OG1 2.97Å |
| 103 | S | 94.7 | Very high | 90.2 | Very high | 38 Ų | 38 | 40 Ų | 40 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.7 | -35.3 | 174.1 | 69.3 | 0 | 0 | 0 | 0 | 113.4 | G99 L100 T101 T106 L107 | G99-S103 PolarHBondContact O-N 3.25Å; G99-S103 PolarHBondContact O-OG 3.33Å; L100-S103 WeakPolarHBondContact CA-OG 3.36Å; L100-S103 PolarHBondContact O-N 3.24Å; L100-S103 PolarHBondContact O-OG 3.2Å; T101-S103 VanDerWaalsContact C-N 3.33Å; T101-S103 PolarHBondContact O-N 3.25Å; S103-T106 PolarHBondContact O-OG1 3.44Å; S103-L107 WeakPolarHBondContact O-CG 3.31Å; S103-L107 PolarHBondContact O-N 2.91Å |
| 104 | A | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | S17 F20 L21 L100 T101 L107 M108 | S17-A104 WeakPolarHBondContact O-CB 3.28Å; F20-A104 HydrophobicContact CB-CB 3.92Å; L21-A104 HydrophobicContact CB-CB 4.09Å; L21-A104 HydrophobicContact CD1-CB 4.48Å; L100-A104 WeakPolarHBondContact O-CB 3.41Å; L100-A104 PolarHBondContact O-N 3.13Å; T101-A104 PolarHBondContact O-N 3.31Å; A104-L107 PolarHBondContact O-N 3.38Å; A104-M108 VanDerWaalsContact O-CB 3.24Å; A104-M108 WeakPolarHBondContact O-CB 3.33Å; A104-M108 PolarHBondContact O-N 2.96Å |
| 105 | N | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 177.6 | -70.3 | 4.6 | 0 | 0 | 0 | 111.4 | Y42 A76 Y77 T101 L102 L107 M108 F109 | Y42-N105 WeakPolarHBondContact OH-CA 3.37Å; Y42-N105 PolarHBondContact OH-N 3.11Å; Y42-N105 PolarHBondContact OH-OD1 2.9Å; A76-N105 PolarHBondContact O-ND2 3.48Å; Y77-N105 HydrophobicContact CD1-CB 4.39Å; Y77-N105 HydrophobicContact CE1-CB 3.82Å; T101-N105 WeakPolarHBondContact O-CB 3.27Å; T101-N105 PolarHBondContact O-N 3.38Å; T101-N105 PolarHBondContact O-OD1 3.45Å; T101-N105 VanDerWaalsContact O-OD1 3.13Å; L102-N105 PolarHBondContact O-N 3.24Å; N105-L107 PolarHBondContact O-N 3.44Å; N105-M108 PolarHBondContact O-N 3.39Å; N105-F109 HydrophobicContact CB-CD2 4.22Å; N105-F109 HydrophobicContact CB-CE2 4.14Å; N105-F109 WeakPolarHBondContact O-CB 3.41Å; N105-F109 WeakPolarHBondContact O-CD2 3.45Å; N105-F109 PolarHBondContact O-N 2.78Å |
| 106 | T | 93.7 | Very high | 90.9 | Very high | 69 Ų | 69 | 37.3 Ų | 37.3 | 42% | 0.423 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 179.5 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | Y77 L102 S103 A110 | Y77-T106 HydrophobicContact CE1-CG2 3.85Å; Y77-T106 WeakPolarHBondContact OH-CA 3.45Å; Y77-T106 WeakPolarHBondContact OH-CG2 3.29Å; Y77-T106 PolarHBondContact OH-N 3.43Å; L102-T106 WeakPolarHBondContact O-CG2 3.16Å; L102-T106 PolarHBondContact O-N 2.87Å; L102-T106 PolarHBondContact O-OG1 2.97Å; S103-T106 PolarHBondContact O-OG1 3.44Å; T106-A110 VanDerWaalsContact O-CB 3.3Å; T106-A110 WeakPolarHBondContact O-CB 3.46Å; T106-A110 PolarHBondContact O-N 3.13Å; T106-A110 VanDerWaalsContact O-N 3.07Å |
| 107 | L | 94.9 | Very high | 90.9 | Very high | 65 Ų | 65 | 41.5 Ų | 41.5 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.2 | -39.7 | 178.3 | -68.6 | 175.5 | 0 | 0 | 0 | 112.1 | V16 S17 F20 S103 A104 N105 T111 | V16-L107 HydrophobicContact CG1-CD1 4.13Å; S17-L107 WeakPolarHBondContact OG-CB 3.48Å; F20-L107 HydrophobicContact CD2-CD1 3.94Å; F20-L107 HydrophobicContact CE2-CD1 3.9Å; S103-L107 WeakPolarHBondContact O-CG 3.31Å; S103-L107 PolarHBondContact O-N 2.91Å; A104-L107 PolarHBondContact O-N 3.38Å; N105-L107 PolarHBondContact O-N 3.44Å; L107-T111 WeakPolarHBondContact O-CB 3.39Å; L107-T111 PolarHBondContact O-N 2.9Å; L107-T111 PolarHBondContact O-OG1 3.38Å |
| 108 | M | 93.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.059 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -48.8 | 179.1 | -173.6 | 61.4 | 71.5 | 0 | 0 | 111.8 | S17 F18 Y42 A104 N105 A110 T111 I112 | S17-M108 PolarHBondContact OG-N 2.93Å; F18-M108 HydrophobicContact CD1-CE 4Å; F18-M108 HydrophobicContact CD2-CE 3.91Å; F18-M108 HydrophobicContact CE1-CE 3.58Å; F18-M108 HydrophobicContact CE2-CE 3.54Å; F18-M108 HydrophobicContact CG-CE 4.12Å; F18-M108 HydrophobicContact CZ-CE 3.36Å; F18-M108 HydrophobicContact CZ-SD 4.48Å; Y42-M108 HydrophobicContact CD1-CB 4.34Å; Y42-M108 HydrophobicContact CD1-CG 3.67Å; Y42-M108 HydrophobicContact CD2-CE 4.14Å; Y42-M108 HydrophobicContact CD2-CG 3.75Å; Y42-M108 HydrophobicContact CD2-SD 4.48Å; Y42-M108 HydrophobicContact CE1-CB 3.86Å; Y42-M108 HydrophobicContact CE1-CG 3.68Å; Y42-M108 HydrophobicContact CE2-CB 4.17Å; Y42-M108 HydrophobicContact CE2-CE 4.09Å; Y42-M108 HydrophobicContact CE2-CG 3.77Å; Y42-M108 HydrophobicContact CG-CG 3.69Å; A104-M108 VanDerWaalsContact O-CB 3.24Å; A104-M108 WeakPolarHBondContact O-CB 3.33Å; A104-M108 PolarHBondContact O-N 2.96Å; N105-M108 PolarHBondContact O-N 3.39Å; M108-A110 VanDerWaalsContact C-N 3.32Å; M108-A110 PolarHBondContact O-N 3.23Å; M108-T111 WeakPolarHBondContact O-CA 3.44Å; M108-T111 WeakPolarHBondContact O-CB 3.48Å; M108-T111 PolarHBondContact O-N 3.05Å; M108-T111 VanDerWaalsContact O-N 3.1Å; M108-I112 HydrophobicContact CG-CD1 3.9Å; M108-I112 HydrophobicContact CG-CG1 4.43Å; M108-I112 WeakPolarHBondContact O-CG1 3.16Å; M108-I112 PolarHBondContact O-N 3.42Å; M108-I112 HydrophobicContact SD-CD1 4.4Å; M108-I112 HydrophobicContact SD-CG1 4.46Å |
| 109 | F | 91.9 | Very high | 90.4 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 179 | -73 | -56.5 | 0 | 0 | 0 | 112.2 | Y42 A45 I73 A76 Y77 N105 T111 I112 F113 | Y42-F109 HydrophobicContact CD1-CE1 4.23Å; Y42-F109 HydrophobicContact CD1-CZ 4.13Å; Y42-F109 HydrophobicContact CE1-CE2 4.23Å; Y42-F109 HydrophobicContact CE1-CZ 4.11Å; A45-F109 HydrophobicContact CB-CE1 3.96Å; I73-F109 HydrophobicContact CD1-CD1 4.47Å; I73-F109 HydrophobicContact CG1-CD1 3.94Å; I73-F109 HydrophobicContact CG1-CE1 3.85Å; I73-F109 HydrophobicContact CG1-CG 4.4Å; I73-F109 HydrophobicContact CG1-CZ 4.24Å; I73-F109 HydrophobicContact CG2-CD2 4.29Å; I73-F109 HydrophobicContact CG2-CE2 4.32Å; A76-F109 HydrophobicContact CB-CE2 3.64Å; A76-F109 HydrophobicContact CB-CZ 3.49Å; A76-F109 VanDerWaalsContact CB-CZ 3.49Å; Y77-F109 AromaticContact CE2-CD2 3.81Å; Y77-F109 HydrophobicContact CE2-CD2 3.81Å; Y77-F109 HydrophobicContact CE2-CE2 4.01Å; N105-F109 HydrophobicContact CB-CD2 4.22Å; N105-F109 HydrophobicContact CB-CE2 4.14Å; N105-F109 WeakPolarHBondContact O-CB 3.41Å; N105-F109 WeakPolarHBondContact O-CD2 3.45Å; N105-F109 PolarHBondContact O-N 2.78Å; F109-T111 VanDerWaalsContact C-N 3.31Å; F109-T111 PolarHBondContact O-N 3.35Å; F109-I112 HydrophobicContact CD1-CD1 4.37Å; F109-I112 PolarHBondContact O-N 2.98Å; F109-F113 VanDerWaalsContact O-CB 3.31Å; F109-F113 WeakPolarHBondContact O-CB 3.43Å; F109-F113 PolarHBondContact O-N 3.16Å |
| 110 | A | 92 | Very high | 89.8 | Confident | 58 Ų | 58 | 47.3 Ų | 47.3 | 48% | 0.479 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T106 M108 F114 | T106-A110 VanDerWaalsContact O-CB 3.3Å; T106-A110 WeakPolarHBondContact O-CB 3.46Å; T106-A110 PolarHBondContact O-N 3.13Å; T106-A110 VanDerWaalsContact O-N 3.07Å; M108-A110 VanDerWaalsContact C-N 3.32Å; M108-A110 PolarHBondContact O-N 3.23Å; A110-F114 VanDerWaalsContact O-CB 3.28Å; A110-F114 WeakPolarHBondContact O-CB 3.41Å; A110-F114 PolarHBondContact O-N 2.97Å |
| 111 | T | 92.3 | Very high | 89 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 177.4 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | V10 A13 L107 M108 F109 F114 L115 | V10-T111 HydrophobicContact CB-CG2 4.46Å; V10-T111 HydrophobicContact CG1-CG2 3.74Å; V10-T111 WeakPolarHBondContact O-CG2 3.38Å; A13-T111 HydrophobicContact CB-CG2 4.4Å; A13-T111 WeakPolarHBondContact CB-OG1 3.26Å; L107-T111 WeakPolarHBondContact O-CB 3.39Å; L107-T111 PolarHBondContact O-N 2.9Å; L107-T111 PolarHBondContact O-OG1 3.38Å; M108-T111 WeakPolarHBondContact O-CA 3.44Å; M108-T111 WeakPolarHBondContact O-CB 3.48Å; M108-T111 PolarHBondContact O-N 3.05Å; M108-T111 VanDerWaalsContact O-N 3.1Å; F109-T111 VanDerWaalsContact C-N 3.31Å; F109-T111 PolarHBondContact O-N 3.35Å; T111-F114 PolarHBondContact O-N 3.4Å; T111-L115 WeakPolarHBondContact O-CB 3.44Å; T111-L115 PolarHBondContact O-N 2.84Å |
| 112 | I | 90.6 | Very high | 87.9 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 176.9 | -67 | 167.1 | 0 | 0 | 0 | 110.6 | P46 M108 F109 F114 L115 V116 | P46-I112 HydrophobicContact CB-CG2 4.41Å; M108-I112 HydrophobicContact CG-CD1 3.9Å; M108-I112 HydrophobicContact CG-CG1 4.43Å; M108-I112 WeakPolarHBondContact O-CG1 3.16Å; M108-I112 PolarHBondContact O-N 3.42Å; M108-I112 HydrophobicContact SD-CD1 4.4Å; M108-I112 HydrophobicContact SD-CG1 4.46Å; F109-I112 HydrophobicContact CD1-CD1 4.37Å; F109-I112 PolarHBondContact O-N 2.98Å; I112-F114 VanDerWaalsContact C-N 3.33Å; I112-F114 PolarHBondContact O-N 3Å; I112-L115 WeakPolarHBondContact O-CB 3.31Å; I112-L115 PolarHBondContact O-N 3.35Å; I112-V116 HydrophobicContact CG2-CG2 4.49Å; I112-V116 WeakPolarHBondContact O-CG2 3.32Å; I112-V116 PolarHBondContact O-N 3.44Å |
| 113 | F | 88.1 | Confident | 86.3 | Confident | 137 Ų | 137 | 53.8 Ų | 53.8 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.6 | -45.4 | 178.5 | 178.5 | -100.2 | 0 | 0 | 0 | 111.3 | F109 V116 Y117 | F109-F113 VanDerWaalsContact O-CB 3.31Å; F109-F113 WeakPolarHBondContact O-CB 3.43Å; F109-F113 PolarHBondContact O-N 3.16Å; F113-V116 PolarHBondContact O-N 3.39Å; F113-Y117 VanDerWaalsContact O-CB 3.26Å; F113-Y117 WeakPolarHBondContact O-CB 3.43Å; F113-Y117 PolarHBondContact O-N 2.89Å |
| 114 | F | 88.9 | Confident | 84.5 | Confident | 87 Ų | 87 | 56.5 Ų | 56.5 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 177.3 | -173.9 | -109.3 | 0 | 0 | 0 | 112 | T6 V10 A110 T111 I112 Y117 L118 | T6-F114 HydrophobicContact CG2-CE1 3.48Å; T6-F114 VanDerWaalsContact CG2-CE1 3.48Å; T6-F114 HydrophobicContact CG2-CZ 3.82Å; V10-F114 HydrophobicContact CG2-CD1 3.6Å; V10-F114 HydrophobicContact CG2-CE1 3.88Å; A110-F114 VanDerWaalsContact O-CB 3.28Å; A110-F114 WeakPolarHBondContact O-CB 3.41Å; A110-F114 PolarHBondContact O-N 2.97Å; T111-F114 PolarHBondContact O-N 3.4Å; I112-F114 VanDerWaalsContact C-N 3.33Å; I112-F114 PolarHBondContact O-N 3Å; F114-Y117 PolarHBondContact O-N 3.38Å; F114-L118 HydrophobicContact CD1-CD1 3.68Å; F114-L118 HydrophobicContact CD1-CG 4.44Å; F114-L118 HydrophobicContact CE1-CD1 3.53Å; F114-L118 HydrophobicContact CE1-CG 4.32Å; F114-L118 HydrophobicContact CG-CD1 4.35Å; F114-L118 HydrophobicContact CZ-CD1 4.02Å; F114-L118 HydrophobicContact CZ-CD2 4.31Å; F114-L118 HydrophobicContact CZ-CG 4.38Å; F114-L118 WeakPolarHBondContact O-CD1 3.43Å; F114-L118 WeakPolarHBondContact O-CG 3.3Å; F114-L118 PolarHBondContact O-N 2.72Å |
| 115 | L | 87.9 | Confident | 82.5 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.8 | -53.9 | 173.7 | -163.8 | -148.1 | 0 | 0 | 0 | 110.8 | T111 I112 Y117 L118 V119 | T111-L115 WeakPolarHBondContact O-CB 3.44Å; T111-L115 PolarHBondContact O-N 2.84Å; I112-L115 WeakPolarHBondContact O-CB 3.31Å; I112-L115 PolarHBondContact O-N 3.35Å; L115-Y117 VanDerWaalsContact C-N 3.3Å; L115-Y117 PolarHBondContact O-N 2.92Å; L115-L118 WeakPolarHBondContact O-CB 3.5Å; L115-L118 PolarHBondContact O-N 3.29Å; L115-L118 VanDerWaalsContact O-N 3.11Å; L115-V119 HydrophobicContact CD2-CG2 3.38Å; L115-V119 WeakPolarHBondContact O-CG2 3.34Å; L115-V119 PolarHBondContact O-N 2.84Å |
| 116 | V | 85.9 | Confident | 80.7 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 8% | 0.079 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | -178.9 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L49 I112 F113 L118 V119 V120 | L49-V116 HydrophobicContact CB-CG1 4.18Å; L49-V116 HydrophobicContact CB-CG2 4.41Å; L49-V116 HydrophobicContact CD2-CB 3.98Å; L49-V116 HydrophobicContact CD2-CG1 3.8Å; L49-V116 HydrophobicContact CD2-CG2 3.99Å; L49-V116 HydrophobicContact CG-CG1 4.33Å; I112-V116 HydrophobicContact CG2-CG2 4.49Å; I112-V116 WeakPolarHBondContact O-CG2 3.32Å; I112-V116 PolarHBondContact O-N 3.44Å; F113-V116 PolarHBondContact O-N 3.39Å; V116-L118 VanDerWaalsContact C-N 3.28Å; V116-L118 PolarHBondContact O-N 3.01Å; V116-V119 PolarHBondContact O-N 3.33Å; V116-V119 VanDerWaalsContact O-N 3.16Å; V116-V120 HydrophobicContact CG1-CG2 4.2Å; V116-V120 VanDerWaalsContact O-CG2 3.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.49Å; V116-V120 PolarHBondContact O-N 2.91Å |
| 117 | Y | 84.6 | Confident | 78.7 | Confident | 124 Ų | 124 | 71.5 Ų | 71.5 | 49% | 0.486 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.6 | -42.5 | 175.3 | 175.5 | -99.2 | 0 | 0 | 0 | 112.2 | F113 F114 L115 V120 K121 | F113-Y117 VanDerWaalsContact O-CB 3.26Å; F113-Y117 WeakPolarHBondContact O-CB 3.43Å; F113-Y117 PolarHBondContact O-N 2.89Å; F114-Y117 PolarHBondContact O-N 3.38Å; L115-Y117 VanDerWaalsContact C-N 3.3Å; L115-Y117 PolarHBondContact O-N 2.92Å; Y117-V120 PolarHBondContact O-N 3.35Å; Y117-K121 HydrophobicContact CE1-CD 4.3Å; Y117-K121 WeakPolarHBondContact O-CB 3.24Å; Y117-K121 PolarHBondContact O-N 3.44Å |
| 118 | L | 84.4 | Confident | 76.5 | Confident | 55 Ų | 55 | 71.7 Ų | 71.7 | 29% | 0.288 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 176.6 | -68.7 | 164.6 | 0 | 0 | 0 | 113 | T6 F114 L115 V116 V120 K121 S122 | T6-L118 HydrophobicContact CG2-CD1 3.14Å; T6-L118 HydrophobicContact CG2-CD2 3.89Å; T6-L118 HydrophobicContact CG2-CG 4.12Å; F114-L118 HydrophobicContact CD1-CD1 3.68Å; F114-L118 HydrophobicContact CD1-CG 4.44Å; F114-L118 HydrophobicContact CE1-CD1 3.53Å; F114-L118 HydrophobicContact CE1-CG 4.32Å; F114-L118 HydrophobicContact CG-CD1 4.35Å; F114-L118 HydrophobicContact CZ-CD1 4.02Å; F114-L118 HydrophobicContact CZ-CD2 4.31Å; F114-L118 HydrophobicContact CZ-CG 4.38Å; F114-L118 WeakPolarHBondContact O-CD1 3.43Å; F114-L118 WeakPolarHBondContact O-CG 3.3Å; F114-L118 PolarHBondContact O-N 2.72Å; L115-L118 WeakPolarHBondContact O-CB 3.5Å; L115-L118 PolarHBondContact O-N 3.29Å; L115-L118 VanDerWaalsContact O-N 3.11Å; V116-L118 VanDerWaalsContact C-N 3.28Å; V116-L118 PolarHBondContact O-N 3.01Å; L118-V120 VanDerWaalsContact C-N 3.34Å; L118-K121 PolarHBondContact O-N 3.33Å; L118-S122 PolarHBondContact O-N 3.2Å; L118-S122 PolarHBondContact O-OG 3.31Å |
| 119 | V | 82 | Confident | 74 | Confident | 54 Ų | 54 | 83.4 Ų | 83.4 | 33% | 0.327 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.3 | -32.3 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 111 | K53 L115 V116 S122 D123 | K53-V119 PolarHBondContact NZ-O 2.99Å; L115-V119 HydrophobicContact CD2-CG2 3.38Å; L115-V119 WeakPolarHBondContact O-CG2 3.34Å; L115-V119 PolarHBondContact O-N 2.84Å; V116-V119 PolarHBondContact O-N 3.33Å; V116-V119 VanDerWaalsContact O-N 3.16Å; V119-S122 WeakPolarHBondContact CA-OG 3.37Å; V119-S122 PolarHBondContact O-OG 3.46Å; V119-D123 VanDerWaalsContact O-CG 3.28Å; V119-D123 VanDerWaalsContact O-OD2 3.08Å |
| 120 | V | 77.5 | Confident | 73.1 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 33% | 0.333 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -46.9 | 169.2 | 174.7 | 0 | 0 | 0 | 0 | 109.8 | K53 V116 Y117 L118 S122 D123 | K53-V120 HydrophobicContact CD-CG2 3.53Å; K53-V120 HydrophobicContact CG-CG2 4.01Å; V116-V120 HydrophobicContact CG1-CG2 4.2Å; V116-V120 VanDerWaalsContact O-CG2 3.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.49Å; V116-V120 PolarHBondContact O-N 2.91Å; Y117-V120 PolarHBondContact O-N 3.35Å; L118-V120 VanDerWaalsContact C-N 3.34Å; V120-S122 PolarHBondContact O-N 3.49Å; V120-D123 PolarHBondContact O-N 3.08Å |
| 121 | K | 73.1 | Confident | 72.1 | Confident | 80 Ų | 80 | 88.1 Ų | 88.1 | 35% | 0.348 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.2 | -27.7 | -175.4 | -174.3 | 150.7 | -176.7 | 57.1 | 0 | 114.2 | Y117 L118 D123 F125 | Y117-K121 HydrophobicContact CE1-CD 4.3Å; Y117-K121 WeakPolarHBondContact O-CB 3.24Å; Y117-K121 PolarHBondContact O-N 3.44Å; L118-K121 PolarHBondContact O-N 3.33Å; K121-D123 VanDerWaalsContact C-N 3.28Å; K121-D123 PolarHBondContact O-N 3.22Å; K121-F125 HydrophobicContact CD-CE2 4.49Å; K121-F125 HydrophobicContact CG-CD2 4.33Å; K121-F125 HydrophobicContact CG-CE2 3.91Å; K121-F125 WeakPolarHBondContact O-CD2 3.21Å |
| 122 | S | 68.7 | Low | 71 | Confident | 60 Ų | 60 | 92.1 Ų | 92.1 | 42% | 0.42 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 175.5 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | L118 V119 V120 F125 D126 | L118-S122 PolarHBondContact O-N 3.2Å; L118-S122 PolarHBondContact O-OG 3.31Å; V119-S122 WeakPolarHBondContact CA-OG 3.37Å; V119-S122 PolarHBondContact O-OG 3.46Å; V120-S122 PolarHBondContact O-N 3.49Å; S122-F125 PolarHBondContact O-N 3.44Å; S122-D126 PolarHBondContact O-N 3.17Å |
| 123 | D | 59.8 | Low | 69.9 | Low | 80 Ų | 80 | 96.1 Ų | 96.1 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.7 | -34.8 | -177.1 | -54.9 | -17.7 | 0 | 0 | 0 | 110.8 | K53 V119 V120 K121 F125 D126 S127 | K53-D123 IonicContact NZ-OD2 2.72Å; K53-D123 PolarHBondContact NZ-OD2 3.39Å; V119-D123 VanDerWaalsContact O-CG 3.28Å; V119-D123 VanDerWaalsContact O-OD2 3.08Å; V120-D123 PolarHBondContact O-N 3.08Å; K121-D123 VanDerWaalsContact C-N 3.28Å; K121-D123 PolarHBondContact O-N 3.22Å; D123-F125 VanDerWaalsContact C-N 3.25Å; D123-F125 PolarHBondContact O-N 3.3Å; D123-D126 PolarHBondContact O-N 3.38Å; D123-S127 PolarHBondContact O-N 3.47Å; D123-S127 VanDerWaalsContact O-N 3.08Å |
| 124 | D | 57 | Low | 68.7 | Low | 96 Ų | 96 | 93.5 Ų | 93.5 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -34.7 | 174.4 | -65 | -29.5 | 0 | 0 | 0 | 112.2 | S127 | D124-S127 PolarHBondContact O-OG 3.36Å |
| 125 | F | 52.1 | Low | 67.4 | Low | 149 Ų | 149 | 93.9 Ų | 93.9 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -74.1 | -35.2 | 177.9 | -78 | -74.4 | 0 | 0 | 0 | 112.8 | K121 S122 D123 S127 G128 | K121-F125 HydrophobicContact CD-CE2 4.49Å; K121-F125 HydrophobicContact CG-CD2 4.33Å; K121-F125 HydrophobicContact CG-CE2 3.91Å; K121-F125 WeakPolarHBondContact O-CD2 3.21Å; S122-F125 PolarHBondContact O-N 3.44Å; D123-F125 VanDerWaalsContact C-N 3.25Å; D123-F125 PolarHBondContact O-N 3.3Å; F125-S127 VanDerWaalsContact C-N 3.35Å; F125-G128 PolarHBondContact O-N 3.3Å |
| 126 | D | 55.1 | Low | 65.9 | Low | 142 Ų | 142 | 94.8 Ų | 94.8 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.5 | -31.3 | 177.5 | -112.3 | 10.8 | 0 | 0 | 0 | 111.6 | S122 D123 G128 | S122-D126 PolarHBondContact O-N 3.17Å; D123-D126 PolarHBondContact O-N 3.38Å; D126-G128 VanDerWaalsContact C-N 3.26Å; D126-G128 PolarHBondContact O-N 3.04Å |
| 127 | S | 52.9 | Low | 64.4 | Low | 92 Ų | 92 | 101.1 Ų | 101.1 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -6.3 | 177.3 | 71.2 | 0 | 0 | 0 | 0 | 115.2 | D123 D124 F125 | D123-S127 PolarHBondContact O-N 3.47Å; D123-S127 VanDerWaalsContact O-N 3.08Å; D124-S127 PolarHBondContact O-OG 3.36Å; F125-S127 VanDerWaalsContact C-N 3.35Å |
| 128 | G | 48.2 | Very low | 62.7 | Low | 70 Ų | 70 | 99.2 Ų | 99.2 | 72% | 0.722 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 5.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F125 D126 | F125-G128 PolarHBondContact O-N 3.3Å; D126-G128 VanDerWaalsContact C-N 3.26Å; D126-G128 PolarHBondContact O-N 3.04Å |
| 129 | F | 41.6 | Very low | 60.7 | Low | 257 Ų | 257 | 103.2 Ų | 103.2 | 100% | 1.127 | 57% | 0.57 | S | S | * | * | trans | -125.8 | 0 | 177.5 | -169.3 | -89.9 | 0 | 0 | 0 | 110.8 |
Retrieved 129 of 129 residues in 31.2 ms
(Link to these results)