| 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 | 49.8 | Very low | 55.1 | Low | 179 Ų | 179 | 90.1 Ų | 90.1 | 88% | 0.882 | 51% | 0.51 | S | S | * | . | 0 | -44.3 | 0 | -109.3 | -177.1 | -72.4 | 0 | 0 | 112.1 | L4 L5 | M1-L4 PolarHBondContact O-N 2.88Å; M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | E | 45.1 | Very low | 55.7 | Low | 163 Ų | 163 | 84.4 Ų | 84.4 | 76% | 0.762 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.1 | -35.3 | -176.9 | -57.4 | -154.5 | 158.1 | 0 | 0 | 115.1 | L5 S6 | E2-L5 WeakPolarHBondContact O-CB 3.37Å; E2-L5 PolarHBondContact O-N 3.21Å; E2-S6 PolarHBondContact O-N 3.3Å |
| 3 | A | 51.6 | Low | 56.2 | Low | 76 Ų | 76 | 79.8 Ų | 79.8 | 63% | 0.628 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.5 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L5 S6 V7 | A3-L5 VanDerWaalsContact C-N 3.26Å; A3-L5 PolarHBondContact O-N 3.44Å; A3-S6 PolarHBondContact O-N 2.9Å; A3-S6 PolarHBondContact O-OG 3.38Å; A3-V7 WeakPolarHBondContact O-CG2 3.46Å; A3-V7 PolarHBondContact O-N 3.15Å |
| 4 | L | 54.9 | Low | 56.9 | Low | 114 Ų | 114 | 79.1 Ų | 79.1 | 60% | 0.597 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.1 | -37.6 | 174.8 | -170.6 | 71.6 | 0 | 0 | 0 | 111.1 | M1 V7 L8 | M1-L4 PolarHBondContact O-N 2.88Å; L4-V7 PolarHBondContact O-N 2.93Å; L4-L8 HydrophobicContact CD1-CD1 4.23Å; L4-L8 HydrophobicContact CD2-CD1 4.3Å; L4-L8 HydrophobicContact CG-CD1 3.68Å; L4-L8 WeakPolarHBondContact O-CB 3.38Å; L4-L8 WeakPolarHBondContact O-CD1 3.43Å; L4-L8 PolarHBondContact O-N 3.43Å |
| 5 | L | 54.8 | Low | 57.2 | Low | 21 Ų | 21 | 74.7 Ų | 74.7 | 11% | 0.11 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 178 | -165.9 | 74.9 | 0 | 0 | 0 | 112.8 | M1 E2 A3 V7 L8 K9 T86 Y89 | M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.16Å; E2-L5 WeakPolarHBondContact O-CB 3.37Å; E2-L5 PolarHBondContact O-N 3.21Å; A3-L5 VanDerWaalsContact C-N 3.26Å; A3-L5 PolarHBondContact O-N 3.44Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 3.14Å; L5-K9 HydrophobicContact CD2-CD 4.48Å; L5-K9 HydrophobicContact CG-CD 4.26Å; L5-K9 HydrophobicContact CG-CG 4.42Å; L5-K9 WeakPolarHBondContact O-CB 3.49Å; L5-K9 WeakPolarHBondContact O-CG 3.49Å; L5-K9 PolarHBondContact O-N 3.34Å; L5-T86 HydrophobicContact CB-CG2 4.47Å; L5-T86 HydrophobicContact CD1-CG2 3.43Å; L5-T86 VanDerWaalsContact CD1-CG2 3.43Å; L5-T86 HydrophobicContact CD2-CG2 3.89Å; L5-T86 WeakPolarHBondContact CD2-OG1 3.22Å; L5-T86 HydrophobicContact CG-CG2 4.11Å; L5-Y89 HydrophobicContact CD1-CD1 4.49Å |
| 6 | S | 54.8 | Low | 57.5 | Low | 76 Ų | 76 | 72 Ų | 72 | 53% | 0.531 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62 | -37.6 | 176.8 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | E2 A3 G10 | E2-S6 PolarHBondContact O-N 3.3Å; A3-S6 PolarHBondContact O-N 2.9Å; A3-S6 PolarHBondContact O-OG 3.38Å; S6-G10 PolarHBondContact O-N 3.14Å |
| 7 | V | 57.7 | Low | 58 | Low | 94 Ų | 94 | 74.5 Ų | 74.5 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -71.3 | -43.3 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | A3 L4 L5 G10 H11 | A3-V7 WeakPolarHBondContact O-CG2 3.46Å; A3-V7 PolarHBondContact O-N 3.15Å; L4-V7 PolarHBondContact O-N 2.93Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.48Å; V7-G10 PolarHBondContact O-N 2.99Å; V7-H11 PolarHBondContact O-N 3.03Å |
| 8 | L | 58.3 | Low | 58.5 | Low | 24 Ų | 24 | 75.1 Ų | 75.1 | 13% | 0.126 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.3 | -100.9 | 110.5 | 0 | 0 | 0 | 112.6 | L4 L5 H11 A15 Y89 L90 | L4-L8 HydrophobicContact CD1-CD1 4.23Å; L4-L8 HydrophobicContact CD2-CD1 4.3Å; L4-L8 HydrophobicContact CG-CD1 3.68Å; L4-L8 WeakPolarHBondContact O-CB 3.38Å; L4-L8 WeakPolarHBondContact O-CD1 3.43Å; L4-L8 PolarHBondContact O-N 3.43Å; L5-L8 PolarHBondContact O-N 3.14Å; L8-H11 CarbonylContact O-C 3.55Å; L8-H11 VanDerWaalsContact O-C 3.32Å; L8-H11 PolarHBondContact O-N 3.31Å; L8-A15 HydrophobicContact CB-CB 4.39Å; L8-A15 HydrophobicContact CD2-CB 3.48Å; L8-A15 VanDerWaalsContact CD2-CB 3.48Å; L8-A15 HydrophobicContact CG-CB 3.59Å; L8-Y89 HydrophobicContact CD2-CE1 4.48Å; L8-L90 HydrophobicContact CD2-CD1 4.26Å |
| 9 | K | 58.3 | Low | 58.8 | Low | 74 Ų | 74 | 72.2 Ų | 72.2 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 177.5 | -76.2 | -178.3 | 175.1 | -173.7 | 0 | 112.1 | L5 H11 | L5-K9 HydrophobicContact CD2-CD 4.48Å; L5-K9 HydrophobicContact CG-CD 4.26Å; L5-K9 HydrophobicContact CG-CG 4.42Å; L5-K9 WeakPolarHBondContact O-CB 3.49Å; L5-K9 WeakPolarHBondContact O-CG 3.49Å; L5-K9 PolarHBondContact O-N 3.34Å; K9-H11 VanDerWaalsContact C-N 3.33Å |
| 10 | G | 58.2 | Low | 59 | Low | 52 Ų | 52 | 70.4 Ų | 70.4 | 54% | 0.536 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72 | -26.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S6 V7 | S6-G10 PolarHBondContact O-N 3.14Å; V7-G10 PolarHBondContact O-N 2.99Å |
| 11 | H | 62.5 | Low | 59.3 | Low | 118 Ų | 118 | 72 Ų | 72 | 55% | 0.546 | 42% | 0.419 | S | S | . | . | trans | -139.1 | 73.2 | -174.3 | -64.1 | 70.9 | 0 | 0 | 0 | 111 | V7 L8 K9 G13 P14 A15 | V7-H11 PolarHBondContact O-N 3.03Å; L8-H11 CarbonylContact O-C 3.55Å; L8-H11 VanDerWaalsContact O-C 3.32Å; L8-H11 PolarHBondContact O-N 3.31Å; K9-H11 VanDerWaalsContact C-N 3.33Å; H11-G13 VanDerWaalsContact C-N 3.29Å; H11-G13 PolarHBondContact O-N 3.4Å; H11-P14 HydrophobicContact CB-CB 4.48Å; H11-P14 HydrophobicContact CB-CG 3.94Å; H11-P14 WeakPolarHBondContact O-CD 3.42Å; H11-A15 PolarHBondContact O-N 2.9Å | ||
| 12 | P | 61.9 | Low | 60.1 | Low | 22 Ų | 22 | 69 Ų | 69 | 14% | 0.143 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.5 | -34 | -177.7 | 23.1 | -32.7 | 0 | 0 | 0 | 112.7 | A15 V16 Y135 | P12-A15 PolarHBondContact O-N 3.45Å; P12-V16 WeakPolarHBondContact O-CB 3.46Å; P12-V16 WeakPolarHBondContact O-CG2 3.35Å; P12-V16 PolarHBondContact O-N 3.37Å; P12-Y135 HydrophobicContact CG-CD1 3.96Å; P12-Y135 HydrophobicContact CG-CE1 3.71Å |
| 13 | G | 63.2 | Low | 61.2 | Low | 24 Ų | 24 | 62.9 Ų | 62.9 | 25% | 0.247 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -52.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | H11 A15 V16 L17 | H11-G13 VanDerWaalsContact C-N 3.29Å; H11-G13 PolarHBondContact O-N 3.4Å; G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 3.15Å; G13-V16 WeakPolarHBondContact O-CB 3.47Å; G13-V16 PolarHBondContact O-N 3.17Å; G13-L17 WeakPolarHBondContact O-CG 3.45Å; G13-L17 PolarHBondContact O-N 3.46Å |
| 14 | P | 65.4 | Low | 62 | Low | 71 Ų | 71 | 66.3 Ų | 66.3 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -37.7 | 174.8 | -29.4 | 36.2 | 0 | 0 | 0 | 114 | H11 V16 L17 V18 | H11-P14 HydrophobicContact CB-CB 4.48Å; H11-P14 HydrophobicContact CB-CG 3.94Å; H11-P14 WeakPolarHBondContact O-CD 3.42Å; P14-V16 VanDerWaalsContact C-N 3.34Å; P14-L17 PolarHBondContact O-N 3.35Å; P14-V18 WeakPolarHBondContact O-CG2 3.43Å; P14-V18 PolarHBondContact O-N 3.05Å |
| 15 | A | 61.3 | Low | 62.5 | Low | 13 Ų | 13 | 65.2 Ų | 65.2 | 11% | 0.107 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L8 H11 P12 G13 V18 C19 | L8-A15 HydrophobicContact CB-CB 4.39Å; L8-A15 HydrophobicContact CD2-CB 3.48Å; L8-A15 VanDerWaalsContact CD2-CB 3.48Å; L8-A15 HydrophobicContact CG-CB 3.59Å; H11-A15 PolarHBondContact O-N 2.9Å; P12-A15 PolarHBondContact O-N 3.45Å; G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 3.15Å; A15-V18 PolarHBondContact O-N 3.07Å; A15-C19 PolarHBondContact O-N 3.27Å; A15-C19 PolarHBondContact O-SG 2.98Å |
| 16 | V | 62.9 | Low | 63 | Low | 31 Ų | 31 | 66.7 Ų | 66.7 | 19% | 0.188 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 172.4 | 163.1 | 0 | 0 | 0 | 0 | 109.6 | P12 G13 P14 V18 C19 S20 A97 | P12-V16 WeakPolarHBondContact O-CB 3.46Å; P12-V16 WeakPolarHBondContact O-CG2 3.35Å; P12-V16 PolarHBondContact O-N 3.37Å; G13-V16 WeakPolarHBondContact O-CB 3.47Å; G13-V16 PolarHBondContact O-N 3.17Å; P14-V16 VanDerWaalsContact C-N 3.34Å; V16-V18 PolarHBondContact O-N 3.21Å; V16-C19 PolarHBondContact O-N 2.96Å; V16-S20 WeakPolarHBondContact O-CB 3.35Å; V16-S20 PolarHBondContact O-N 3.23Å; V16-A97 HydrophobicContact CB-CB 3.59Å; V16-A97 HydrophobicContact CG1-CB 3.31Å; V16-A97 HydrophobicContact CG2-CB 3.84Å; V16-A97 VanDerWaalsContact O-CB 3.23Å; V16-A97 WeakPolarHBondContact O-CB 3.3Å |
| 17 | L | 65.6 | Low | 63.6 | Low | 114 Ų | 114 | 63.5 Ų | 63.5 | 60% | 0.597 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | 179.1 | -71.6 | 170.7 | 0 | 0 | 0 | 113.2 | G13 P14 S20 L21 | G13-L17 WeakPolarHBondContact O-CG 3.45Å; G13-L17 PolarHBondContact O-N 3.46Å; P14-L17 PolarHBondContact O-N 3.35Å; L17-S20 WeakPolarHBondContact O-CB 3.36Å; L17-S20 PolarHBondContact O-N 3.43Å; L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.27Å |
| 18 | V | 66.9 | Low | 63.9 | Low | 86 Ų | 86 | 64.3 Ų | 64.3 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | P14 A15 V16 S20 L21 L22 | P14-V18 WeakPolarHBondContact O-CG2 3.43Å; P14-V18 PolarHBondContact O-N 3.05Å; A15-V18 PolarHBondContact O-N 3.07Å; V16-V18 PolarHBondContact O-N 3.21Å; V18-S20 VanDerWaalsContact C-N 3.29Å; V18-S20 PolarHBondContact O-N 3.41Å; V18-L21 PolarHBondContact O-N 3.48Å; V18-L22 HydrophobicContact CG1-CD1 4.27Å; V18-L22 WeakPolarHBondContact O-CG 3.29Å; V18-L22 PolarHBondContact O-N 2.79Å |
| 19 | C | 63.8 | Low | 64.2 | Low | 20 Ų | 20 | 68.9 Ų | 68.9 | 14% | 0.135 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 175.4 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | A15 V16 L22 F23 A97 | A15-C19 PolarHBondContact O-N 3.27Å; A15-C19 PolarHBondContact O-SG 2.98Å; V16-C19 PolarHBondContact O-N 2.96Å; C19-L22 PolarHBondContact O-N 3.14Å; C19-F23 WeakPolarHBondContact O-CB 3.39Å; C19-F23 PolarHBondContact O-N 2.87Å; C19-A97 HydrophobicContact CB-CB 4.07Å |
| 20 | S | 62.8 | Low | 64.4 | Low | 35 Ų | 35 | 67.5 Ų | 67.5 | 25% | 0.245 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.6 | -162.7 | 0 | 0 | 0 | 0 | 112.4 | V16 L17 V18 F23 R24 A97 | V16-S20 WeakPolarHBondContact O-CB 3.35Å; V16-S20 PolarHBondContact O-N 3.23Å; L17-S20 WeakPolarHBondContact O-CB 3.36Å; L17-S20 PolarHBondContact O-N 3.43Å; V18-S20 VanDerWaalsContact C-N 3.29Å; V18-S20 PolarHBondContact O-N 3.41Å; S20-F23 PolarHBondContact O-N 3.31Å; S20-R24 WeakPolarHBondContact O-CB 3.23Å; S20-R24 PolarHBondContact O-N 3.23Å; S20-A97 VanDerWaalsContact CB-O 3.28Å; S20-A97 WeakPolarHBondContact CB-O 3.09Å; S20-A97 PolarHBondContact OG-O 2.75Å |
| 21 | L | 65.8 | Low | 64.5 | Low | 106 Ų | 106 | 69 Ų | 69 | 56% | 0.555 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 176.6 | -70.1 | 171.6 | 0 | 0 | 0 | 112.2 | L17 V18 F23 R24 V25 | L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.27Å; V18-L21 PolarHBondContact O-N 3.48Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 2.97Å; L21-R24 WeakPolarHBondContact O-CB 3.39Å; L21-R24 PolarHBondContact O-N 3.47Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 2.9Å |
| 22 | L | 66.6 | Low | 64.5 | Low | 115 Ų | 115 | 73.5 Ų | 73.5 | 60% | 0.602 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 174.8 | -71.5 | 172.1 | 0 | 0 | 0 | 111.4 | V18 C19 R24 V25 A26 | V18-L22 HydrophobicContact CG1-CD1 4.27Å; V18-L22 WeakPolarHBondContact O-CG 3.29Å; V18-L22 PolarHBondContact O-N 2.79Å; C19-L22 PolarHBondContact O-N 3.14Å; L22-R24 VanDerWaalsContact C-N 3.32Å; L22-R24 PolarHBondContact O-N 2.86Å; L22-V25 PolarHBondContact O-N 3.3Å; L22-A26 PolarHBondContact O-N 3.09Å |
| 23 | F | 67.8 | Low | 64.4 | Low | 34 Ų | 34 | 77.3 Ų | 77.3 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.8 | -165.8 | -94.3 | 0 | 0 | 0 | 111.8 | C19 S20 L21 V25 A26 H27 V54 G98 Y99 H102 | C19-F23 WeakPolarHBondContact O-CB 3.39Å; C19-F23 PolarHBondContact O-N 2.87Å; S20-F23 PolarHBondContact O-N 3.31Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 2.97Å; F23-V25 VanDerWaalsContact C-N 3.33Å; F23-V25 PolarHBondContact O-N 2.91Å; F23-A26 PolarHBondContact O-N 2.84Å; F23-H27 VanDerWaalsContact O-CB 3.3Å; F23-H27 WeakPolarHBondContact O-CB 3.35Å; F23-H27 PolarHBondContact O-N 3.31Å; F23-V54 HydrophobicContact CE1-CG1 3.85Å; F23-V54 HydrophobicContact CZ-CG1 3.57Å; F23-G98 WeakPolarHBondContact CD1-O 3.33Å; F23-G98 VanDerWaalsContact CG-O 3.29Å; F23-G98 WeakPolarHBondContact CG-O 3.41Å; F23-Y99 HydrophobicContact CE1-CD2 4.08Å; F23-Y99 HydrophobicContact CE2-CD2 4.32Å; F23-Y99 AromaticContact CZ-CD2 3.56Å; F23-Y99 HydrophobicContact CZ-CD2 3.56Å; F23-Y99 HydrophobicContact CZ-CG 4.25Å; F23-H102 HydrophobicContact CD1-CB 4.11Å; F23-H102 AromaticContact CD1-CG 3.97Å; F23-H102 HydrophobicContact CE1-CB 4.32Å |
| 24 | R | 67.6 | Low | 64.1 | Low | 149 Ų | 149 | 81.9 Ų | 81.9 | 56% | 0.562 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62 | -39.1 | 175.5 | -168.7 | 176.2 | -178 | -178.3 | 0.2 | 112.3 | S20 L21 L22 H27 Q28 | S20-R24 WeakPolarHBondContact O-CB 3.23Å; S20-R24 PolarHBondContact O-N 3.23Å; L21-R24 WeakPolarHBondContact O-CB 3.39Å; L21-R24 PolarHBondContact O-N 3.47Å; L22-R24 VanDerWaalsContact C-N 3.32Å; L22-R24 PolarHBondContact O-N 2.86Å; R24-H27 PolarHBondContact O-N 2.98Å; R24-Q28 WeakPolarHBondContact O-CG 3.46Å; R24-Q28 PolarHBondContact O-N 3.09Å |
| 25 | V | 65.9 | Low | 63.9 | Low | 90 Ų | 90 | 80.2 Ų | 80.2 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 174.7 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L21 L22 F23 H27 Q28 L29 | L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 2.9Å; L22-V25 PolarHBondContact O-N 3.3Å; F23-V25 VanDerWaalsContact C-N 3.33Å; F23-V25 PolarHBondContact O-N 2.91Å; V25-H27 VanDerWaalsContact C-N 3.3Å; V25-H27 PolarHBondContact O-N 3.28Å; V25-Q28 PolarHBondContact O-N 2.94Å; V25-L29 PolarHBondContact O-N 3.18Å |
| 26 | A | 64.8 | Low | 63.9 | Low | 52 Ų | 52 | 81.7 Ų | 81.7 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L22 F23 L29 L30 | L22-A26 PolarHBondContact O-N 3.09Å; F23-A26 PolarHBondContact O-N 2.84Å; A26-L29 WeakPolarHBondContact O-CB 3.46Å; A26-L29 PolarHBondContact O-N 3.45Å; A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 PolarHBondContact O-N 2.88Å |
| 27 | H | 67.4 | Low | 63.6 | Low | 10 Ų | 10 | 85.5 Ų | 85.5 | 5% | 0.046 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 174.9 | -178.1 | -173.8 | 0 | 0 | 0 | 111.3 | F23 R24 V25 L29 L30 Q31 V54 H102 | F23-H27 VanDerWaalsContact O-CB 3.3Å; F23-H27 WeakPolarHBondContact O-CB 3.35Å; F23-H27 PolarHBondContact O-N 3.31Å; R24-H27 PolarHBondContact O-N 2.98Å; V25-H27 VanDerWaalsContact C-N 3.3Å; V25-H27 PolarHBondContact O-N 3.28Å; H27-L29 PolarHBondContact O-N 2.95Å; H27-L30 PolarHBondContact O-N 3.46Å; H27-L30 VanDerWaalsContact O-N 3.14Å; H27-Q31 PolarHBondContact CE1-NE2 3.31Å; H27-Q31 PolarHBondContact NE2-NE2 3.49Å; H27-Q31 WeakPolarHBondContact O-CG 3.3Å; H27-Q31 PolarHBondContact O-N 2.9Å; H27-V54 WeakPolarHBondContact CD2-CG2 3.4Å; H27-H102 AromaticContact CE1-CE1 3.3Å; H27-H102 PolarHBondContact CE1-CE1 2.87Å; H27-H102 AromaticContact CE1-NE2 3.86Å; H27-H102 AromaticContact ND1-CE1 2.91Å; H27-H102 PolarHBondContact ND1-CE1 2.96Å; H27-H102 AromaticContact ND1-ND1 3.86Å; H27-H102 AromaticContact ND1-NE2 3.09Å; H27-H102 PolarHBondContact ND1-NE2 2.9Å |
| 28 | Q | 65.2 | Low | 63.2 | Low | 110 Ų | 110 | 83.1 Ų | 83.1 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 175.5 | -75.4 | -178.8 | -7.6 | 0 | 0 | 112.6 | R24 V25 | R24-Q28 WeakPolarHBondContact O-CG 3.46Å; R24-Q28 PolarHBondContact O-N 3.09Å; V25-Q28 PolarHBondContact O-N 2.94Å |
| 29 | L | 64.1 | Low | 62.8 | Low | 121 Ų | 121 | 79 Ų | 79 | 63% | 0.634 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.5 | -43.1 | 175.5 | -151 | 82.5 | 0 | 0 | 0 | 111.2 | V25 A26 H27 Q31 R32 | V25-L29 PolarHBondContact O-N 3.18Å; A26-L29 WeakPolarHBondContact O-CB 3.46Å; A26-L29 PolarHBondContact O-N 3.45Å; H27-L29 PolarHBondContact O-N 2.95Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.42Å; L29-R32 WeakPolarHBondContact O-CB 3.35Å; L29-R32 PolarHBondContact O-N 2.7Å; L29-R32 VanDerWaalsContact O-N 3.15Å |
| 30 | L | 62 | Low | 62.6 | Low | 44 Ų | 44 | 87.3 Ų | 87.3 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.9 | -31.4 | 179.1 | -140.2 | 75.1 | 0 | 0 | 0 | 112.4 | A26 H27 R32 L33 V54 V57 | A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 PolarHBondContact O-N 2.88Å; H27-L30 PolarHBondContact O-N 3.46Å; H27-L30 VanDerWaalsContact O-N 3.14Å; L30-R32 PolarHBondContact O-N 3.47Å; L30-L33 HydrophobicContact CD1-CD1 3.84Å; L30-L33 HydrophobicContact CG-CD1 3.88Å; L30-L33 WeakPolarHBondContact O-CB 3.29Å; L30-L33 WeakPolarHBondContact O-CG 3.47Å; L30-L33 PolarHBondContact O-N 2.71Å; L30-L33 VanDerWaalsContact O-N 3.11Å; L30-V54 HydrophobicContact CB-CG2 4.5Å; L30-V54 HydrophobicContact CD2-CB 4.29Å; L30-V54 HydrophobicContact CD2-CG2 3.77Å; L30-V57 HydrophobicContact CD1-CG2 4.1Å; L30-V57 HydrophobicContact CD2-CB 4.15Å; L30-V57 HydrophobicContact CD2-CG2 3.72Å |
| 31 | Q | 61.7 | Low | 62.4 | Low | 84 Ų | 84 | 93.7 Ų | 93.7 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.4 | 173.9 | -76.1 | -173.9 | -1.2 | 0 | 0 | 113.8 | H27 L29 L33 | H27-Q31 PolarHBondContact CE1-NE2 3.31Å; H27-Q31 PolarHBondContact NE2-NE2 3.49Å; H27-Q31 WeakPolarHBondContact O-CG 3.3Å; H27-Q31 PolarHBondContact O-N 2.9Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.42Å; Q31-L33 VanDerWaalsContact C-N 3.33Å |
| 32 | R | 61.2 | Low | 62.5 | Low | 212 Ų | 212 | 91.2 Ų | 91.2 | 80% | 0.8 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -6.8 | 174.6 | -62 | -175.5 | 178.5 | -172.5 | -0.4 | 113.4 | L29 L30 | L29-R32 WeakPolarHBondContact O-CB 3.35Å; L29-R32 PolarHBondContact O-N 2.7Å; L29-R32 VanDerWaalsContact O-N 3.15Å; L30-R32 PolarHBondContact O-N 3.47Å |
| 33 | L | 61.1 | Low | 62.4 | Low | 103 Ų | 103 | 89.8 Ų | 89.8 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -66.3 | 143.5 | 177.1 | -69.9 | 173.9 | 0 | 0 | 0 | 111.4 | L30 Q31 V35 | L30-L33 HydrophobicContact CD1-CD1 3.84Å; L30-L33 HydrophobicContact CG-CD1 3.88Å; L30-L33 WeakPolarHBondContact O-CB 3.29Å; L30-L33 WeakPolarHBondContact O-CG 3.47Å; L30-L33 PolarHBondContact O-N 2.71Å; L30-L33 VanDerWaalsContact O-N 3.11Å; Q31-L33 VanDerWaalsContact C-N 3.33Å; L33-V35 PolarHBondContact O-N 3.18Å |
| 34 | P | 56.8 | Low | 62.3 | Low | 120 Ų | 120 | 91.9 Ų | 91.9 | 78% | 0.779 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 125.1 | -178.1 | 25.2 | -32.7 | 0 | 0 | 0 | 110.8 | ||
| 35 | V | 61 | Low | 62.2 | Low | 35 Ų | 35 | 88.1 Ų | 88.1 | 21% | 0.212 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -86 | 133.9 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | L33 T37 V39 K50 | L33-V35 PolarHBondContact O-N 3.18Å; V35-T37 PolarHBondContact O-N 3.47Å; V35-V39 HydrophobicContact CG1-CB 4.06Å; V35-V39 HydrophobicContact CG1-CG1 3.97Å; V35-K50 HydrophobicContact CG2-CG 4.5Å |
| 36 | P | 61.2 | Low | 62.3 | Low | 44 Ų | 44 | 85 Ų | 85 | 29% | 0.286 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 137.2 | 176.3 | -24.4 | 32.6 | 0 | 0 | 0 | 111.9 | V38 V39 R40 W49 | P36-V38 PolarHBondContact O-N 2.93Å; P36-V38 VanDerWaalsContact O-N 3.15Å; P36-V39 HydrophobicContact CB-CB 4.5Å; P36-V39 HydrophobicContact CB-CG2 4.25Å; P36-V39 WeakPolarHBondContact O-CB 3.4Å; P36-V39 PolarHBondContact O-N 3.42Å; P36-R40 PolarHBondContact O-N 3.33Å; P36-R40 VanDerWaalsContact O-N 3.14Å; P36-W49 HydrophobicContact CG-CH2 3.82Å; P36-W49 HydrophobicContact CG-CZ2 3.57Å; P36-W49 HydrophobicContact CG-CZ3 4.37Å |
| 37 | T | 55.7 | Low | 62.5 | Low | 112 Ų | 112 | 85 Ų | 85 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.9 | -177.5 | 41.6 | 0 | 0 | 0 | 0 | 113.3 | V35 V39 R40 | V35-T37 PolarHBondContact O-N 3.47Å; T37-V39 VanDerWaalsContact C-N 3.27Å; T37-V39 PolarHBondContact O-N 3.11Å; T37-R40 WeakPolarHBondContact O-CB 3.45Å; T37-R40 PolarHBondContact O-N 3.37Å |
| 38 | V | 57.3 | Low | 62.6 | Low | 63 Ų | 63 | 86.5 Ų | 86.5 | 38% | 0.382 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.3 | 176.7 | -171.6 | 0 | 0 | 0 | 0 | 112.7 | P36 | P36-V38 PolarHBondContact O-N 2.93Å; P36-V38 VanDerWaalsContact O-N 3.15Å |
| 39 | V | 58.6 | Low | 62.9 | Low | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -21.7 | -178.6 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | V35 P36 T37 Q41 R45 S46 W49 | V35-V39 HydrophobicContact CG1-CB 4.06Å; V35-V39 HydrophobicContact CG1-CG1 3.97Å; P36-V39 HydrophobicContact CB-CB 4.5Å; P36-V39 HydrophobicContact CB-CG2 4.25Å; P36-V39 WeakPolarHBondContact O-CB 3.4Å; P36-V39 PolarHBondContact O-N 3.42Å; T37-V39 VanDerWaalsContact C-N 3.27Å; T37-V39 PolarHBondContact O-N 3.11Å; V39-Q41 PolarHBondContact O-N 3.2Å; V39-R45 VanDerWaalsContact CG1-C 3.49Å; V39-R45 HydrophobicContact CG1-CB 4.01Å; V39-R45 VanDerWaalsContact CG1-O 3.29Å; V39-R45 WeakPolarHBondContact CG1-O 3.43Å; V39-S46 PolarHBondContact O-N 3.06Å; V39-W49 HydrophobicContact CG1-CB 3.73Å; V39-W49 HydrophobicContact CG1-CG 4.2Å; V39-W49 HydrophobicContact CG2-CE3 4.05Å; V39-W49 HydrophobicContact CG2-CZ3 4.46Å |
| 40 | R | 59.4 | Low | 63.3 | Low | 195 Ų | 195 | 80.7 Ų | 80.7 | 74% | 0.736 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.7 | 177.1 | -157.5 | 176.1 | -166.4 | 176.5 | 4.1 | 113.8 | P36 T37 D42 | P36-R40 PolarHBondContact O-N 3.33Å; P36-R40 VanDerWaalsContact O-N 3.14Å; T37-R40 WeakPolarHBondContact O-CB 3.45Å; T37-R40 PolarHBondContact O-N 3.37Å; R40-D42 VanDerWaalsContact C-N 3.35Å |
| 41 | Q | 59 | Low | 63.8 | Low | 168 Ų | 168 | 79.5 Ų | 79.5 | 79% | 0.785 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -22.3 | -177.2 | -66.5 | -178.6 | -9.1 | 0 | 0 | 113.9 | V39 | V39-Q41 PolarHBondContact O-N 3.2Š|
| 42 | D | 67.1 | Low | 64.3 | Low | 55 Ų | 55 | 76 Ų | 76 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | trans | -126.8 | 119.7 | 177.4 | -173.3 | -10.9 | 0 | 0 | 0 | 109.2 | R40 F44 R45 S46 | R40-D42 VanDerWaalsContact C-N 3.35Å; D42-F44 PolarHBondContact O-N 3.22Å; D42-F44 VanDerWaalsContact O-N 3.14Å; D42-F44 WeakPolarHBondContact OD1-CB 3.4Å; D42-F44 PolarHBondContact OD1-N 2.93Å; D42-R45 HydrophobicContact CB-CB 4.11Å; D42-R45 HydrophobicContact CB-CG 3.98Å; D42-R45 PolarHBondContact O-N 2.75Å; D42-S46 PolarHBondContact O-N 3.32Å | ||
| 43 | A | 65.9 | Low | 64.9 | Low | 85 Ų | 85 | 66.9 Ų | 66.9 | 70% | 0.702 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -54.2 | -34.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W47 | A43-W47 PolarHBondContact O-N 3.22Å |
| 44 | F | 64.6 | Low | 65.5 | Low | 77 Ų | 77 | 62.3 Ų | 62.3 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.6 | -43.4 | 176.9 | 179.7 | -107.3 | 0 | 0 | 0 | 112.6 | D42 S46 W47 K48 H112 | D42-F44 PolarHBondContact O-N 3.22Å; D42-F44 VanDerWaalsContact O-N 3.14Å; D42-F44 WeakPolarHBondContact OD1-CB 3.4Å; D42-F44 PolarHBondContact OD1-N 2.93Å; F44-S46 VanDerWaalsContact C-N 3.33Å; F44-W47 HydrophobicContact CE2-CE3 4.42Å; F44-W47 HydrophobicContact CE2-CZ3 4.47Å; F44-W47 PolarHBondContact O-N 3Å; F44-K48 WeakPolarHBondContact O-CB 3.42Å; F44-K48 PolarHBondContact O-N 3.42Å; F44-H112 AromaticContact CD2-CD2 3.83Å; F44-H112 AromaticContact CD2-NE2 3.4Å; F44-H112 WeakPolarHBondContact CD2-NE2 3.14Å; F44-H112 AromaticContact CE2-CD2 3.46Å; F44-H112 VanDerWaalsContact CE2-CD2 3.46Å; F44-H112 WeakPolarHBondContact CE2-CD2 3.23Å; F44-H112 AromaticContact CE2-NE2 3.57Å |
| 45 | R | 65.3 | Low | 66.5 | Low | 71 Ų | 71 | 56.9 Ų | 56.9 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 176.8 | -66.7 | 176 | 78.4 | -176.3 | 7.6 | 111 | V39 D42 K48 W49 L164 | V39-R45 VanDerWaalsContact CG1-C 3.49Å; V39-R45 HydrophobicContact CG1-CB 4.01Å; V39-R45 VanDerWaalsContact CG1-O 3.29Å; V39-R45 WeakPolarHBondContact CG1-O 3.43Å; D42-R45 HydrophobicContact CB-CB 4.11Å; D42-R45 HydrophobicContact CB-CG 3.98Å; D42-R45 PolarHBondContact O-N 2.75Å; R45-K48 PolarHBondContact O-N 3.45Å; R45-W49 WeakPolarHBondContact O-CB 3.28Å; R45-W49 PolarHBondContact O-N 3.42Å; R45-L164 PolarHBondContact NH2-O 2.76Å |
| 46 | S | 68.6 | Low | 67.3 | Low | 23 Ų | 23 | 57.4 Ų | 57.4 | 16% | 0.161 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 175.4 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | V39 D42 F44 K50 | V39-S46 PolarHBondContact O-N 3.06Å; D42-S46 PolarHBondContact O-N 3.32Å; F44-S46 VanDerWaalsContact C-N 3.33Å; S46-K50 WeakPolarHBondContact O-CG 3.05Å; S46-K50 PolarHBondContact O-N 2.92Å |
| 47 | W | 68.9 | Low | 68 | Low | 52 Ų | 52 | 58.9 Ų | 58.9 | 20% | 0.197 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 173.4 | 173.4 | 80.2 | 0 | 0 | 0 | 110.8 | A43 F44 W49 K50 N51 D106 I107 T110 H112 | A43-W47 PolarHBondContact O-N 3.22Å; F44-W47 HydrophobicContact CE2-CE3 4.42Å; F44-W47 HydrophobicContact CE2-CZ3 4.47Å; F44-W47 PolarHBondContact O-N 3Å; W47-W49 VanDerWaalsContact C-N 3.29Å; W47-W49 PolarHBondContact O-N 3.26Å; W47-K50 PolarHBondContact O-N 3.37Å; W47-K50 VanDerWaalsContact O-N 3.09Å; W47-N51 PolarHBondContact O-N 3.45Å; W47-D106 PolarHBondContact NE1-OD2 2.97Å; W47-I107 HydrophobicContact CH2-CG1 4.38Å; W47-T110 HydrophobicContact CZ2-CG2 4.28Å; W47-T110 WeakPolarHBondContact CZ2-OG1 3.26Å; W47-H112 HydrophobicContact CH2-CB 4.26Å; W47-H112 HydrophobicContact CZ3-CB 4.41Å; W47-H112 AromaticContact CZ3-ND1 3.98Å |
| 48 | K | 70.8 | Confident | 69.2 | Low | 43 Ų | 43 | 53.8 Ų | 53.8 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 178.8 | -171.3 | 171.7 | -179.8 | 171.2 | 0 | 112.2 | F44 R45 L52 L164 D259 | F44-K48 WeakPolarHBondContact O-CB 3.42Å; F44-K48 PolarHBondContact O-N 3.42Å; R45-K48 PolarHBondContact O-N 3.45Å; K48-L52 WeakPolarHBondContact O-CB 3.02Å; K48-L52 PolarHBondContact O-N 3.25Å; K48-L164 HydrophobicContact CD-CD1 4.13Å; K48-L164 HydrophobicContact CD-CD2 4.32Å; K48-L164 HydrophobicContact CG-CD1 4Å; K48-D259 IonicContact NZ-OD2 3.89Å |
| 49 | W | 71.5 | Confident | 70.3 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 175.9 | -179.4 | -82.8 | 0 | 0 | 0 | 112.7 | P36 V39 R45 W47 L52 S53 M161 L164 A165 | P36-W49 HydrophobicContact CG-CH2 3.82Å; P36-W49 HydrophobicContact CG-CZ2 3.57Å; P36-W49 HydrophobicContact CG-CZ3 4.37Å; V39-W49 HydrophobicContact CG1-CB 3.73Å; V39-W49 HydrophobicContact CG1-CG 4.2Å; V39-W49 HydrophobicContact CG2-CE3 4.05Å; V39-W49 HydrophobicContact CG2-CZ3 4.46Å; R45-W49 WeakPolarHBondContact O-CB 3.28Å; R45-W49 PolarHBondContact O-N 3.42Å; W47-W49 VanDerWaalsContact C-N 3.29Å; W47-W49 PolarHBondContact O-N 3.26Å; W49-L52 PolarHBondContact O-N 2.91Å; W49-S53 WeakPolarHBondContact O-CB 3.39Å; W49-S53 PolarHBondContact O-N 2.97Å; W49-S53 PolarHBondContact O-OG 3.3Å; W49-M161 HydrophobicContact CD2-CE 4.08Å; W49-M161 HydrophobicContact CE3-CB 4.4Å; W49-M161 HydrophobicContact CE3-CE 4.37Å; W49-M161 HydrophobicContact CE3-CG 4.46Å; W49-M161 HydrophobicContact CH2-CB 4.05Å; W49-M161 HydrophobicContact CH2-CE 3.63Å; W49-M161 HydrophobicContact CZ2-CE 3.26Å; W49-M161 HydrophobicContact CZ3-CB 3.81Å; W49-M161 HydrophobicContact CZ3-CE 4.17Å; W49-M161 HydrophobicContact CZ3-CG 4.29Å; W49-M161 WeakPolarHBondContact CZ3-O 3.08Å; W49-L164 HydrophobicContact CE3-CB 4.22Å; W49-L164 HydrophobicContact CZ3-CB 4.47Å; W49-A165 HydrophobicContact CH2-CB 4.47Å; W49-A165 HydrophobicContact CZ3-CB 4.15Å |
| 50 | K | 71.3 | Confident | 71.4 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 178 | -72.9 | 179.7 | 179 | -170 | 0 | 111 | V35 S46 W47 L52 S53 V54 | V35-K50 HydrophobicContact CG2-CG 4.5Å; S46-K50 WeakPolarHBondContact O-CG 3.05Å; S46-K50 PolarHBondContact O-N 2.92Å; W47-K50 PolarHBondContact O-N 3.37Å; W47-K50 VanDerWaalsContact O-N 3.09Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.03Å; K50-S53 PolarHBondContact O-N 3.24Å; K50-V54 WeakPolarHBondContact O-CG2 3.36Å; K50-V54 PolarHBondContact O-N 3.22Å; K50-V54 VanDerWaalsContact O-N 3.11Å |
| 51 | N | 73.4 | Confident | 72.5 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 178.6 | -157.4 | 48.6 | 0 | 0 | 0 | 111.1 | W47 S53 V54 S55 D103 | W47-N51 PolarHBondContact O-N 3.45Å; N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 2.9Å; N51-V54 WeakPolarHBondContact O-CB 3.43Å; N51-V54 PolarHBondContact O-N 2.92Å; N51-V54 VanDerWaalsContact O-N 3.09Å; N51-S55 PolarHBondContact O-N 3.43Å; N51-S55 PolarHBondContact O-OG 2.96Å; N51-D103 PolarHBondContact ND2-OD1 3.38Å; N51-D103 PolarHBondContact OD1-OD1 3.04Å |
| 52 | L | 72.3 | Confident | 73.6 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -33.1 | 178.8 | -169.5 | 62.5 | 0 | 0 | 0 | 113.6 | K48 W49 K50 M56 H157 L160 M161 L164 | K48-L52 WeakPolarHBondContact O-CB 3.02Å; K48-L52 PolarHBondContact O-N 3.25Å; W49-L52 PolarHBondContact O-N 2.91Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.03Å; L52-M56 VanDerWaalsContact O-CB 3.32Å; L52-M56 WeakPolarHBondContact O-CB 3.48Å; L52-M56 PolarHBondContact O-N 3.37Å; L52-H157 HydrophobicContact CD1-CB 3.83Å; L52-H157 WeakPolarHBondContact CD1-ND1 3.49Å; L52-H157 HydrophobicContact CG-CB 4.35Å; L52-L160 HydrophobicContact CD1-CB 4.49Å; L52-L160 HydrophobicContact CD1-CD2 3.87Å; L52-L160 HydrophobicContact CD1-CG 4.5Å; L52-L160 HydrophobicContact CD2-CB 3.75Å; L52-L160 HydrophobicContact CD2-CD2 3.77Å; L52-L160 HydrophobicContact CD2-CG 3.59Å; L52-M161 HydrophobicContact CB-CG 4.47Å; L52-M161 HydrophobicContact CD2-CB 4.26Å; L52-M161 HydrophobicContact CD2-CG 3.34Å; L52-M161 HydrophobicContact CG-CG 3.72Å; L52-M161 HydrophobicContact CG-SD 4.43Å; L52-L164 HydrophobicContact CD2-CD1 4.02Å |
| 53 | S | 73.6 | Confident | 74.3 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -38.9 | 175 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | W49 K50 N51 M56 V57 M161 | W49-S53 WeakPolarHBondContact O-CB 3.39Å; W49-S53 PolarHBondContact O-N 2.97Å; W49-S53 PolarHBondContact O-OG 3.3Å; K50-S53 PolarHBondContact O-N 3.24Å; N51-S53 VanDerWaalsContact C-N 3.29Å; N51-S53 PolarHBondContact O-N 2.9Å; S53-M56 PolarHBondContact O-N 3.09Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-V57 PolarHBondContact O-N 3.11Å; S53-M161 WeakPolarHBondContact OG-CE 3.48Å |
| 54 | V | 73.4 | Confident | 75.1 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | F23 H27 L30 K50 N51 M56 V57 H58 Y99 | F23-V54 HydrophobicContact CE1-CG1 3.85Å; F23-V54 HydrophobicContact CZ-CG1 3.57Å; H27-V54 WeakPolarHBondContact CD2-CG2 3.4Å; L30-V54 HydrophobicContact CB-CG2 4.5Å; L30-V54 HydrophobicContact CD2-CB 4.29Å; L30-V54 HydrophobicContact CD2-CG2 3.77Å; K50-V54 WeakPolarHBondContact O-CG2 3.36Å; K50-V54 PolarHBondContact O-N 3.22Å; K50-V54 VanDerWaalsContact O-N 3.11Å; N51-V54 WeakPolarHBondContact O-CB 3.43Å; N51-V54 PolarHBondContact O-N 2.92Å; N51-V54 VanDerWaalsContact O-N 3.09Å; V54-M56 VanDerWaalsContact C-N 3.29Å; V54-M56 PolarHBondContact O-N 2.88Å; V54-V57 PolarHBondContact O-N 2.71Å; V54-H58 WeakPolarHBondContact O-CB 3.29Å; V54-H58 PolarHBondContact O-N 2.83Å; V54-Y99 HydrophobicContact CG1-CE2 4.43Å |
| 55 | S | 76.7 | Confident | 76 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.7 | -42.9 | 172.6 | -51.2 | 0 | 0 | 0 | 0 | 112 | N51 H58 S59 Y99 | N51-S55 PolarHBondContact O-N 3.43Å; N51-S55 PolarHBondContact O-OG 2.96Å; S55-H58 WeakPolarHBondContact O-CB 3.47Å; S55-H58 PolarHBondContact O-N 3.24Å; S55-S59 WeakPolarHBondContact O-CB 3.49Å; S55-S59 PolarHBondContact O-N 3.22Å; S55-S59 PolarHBondContact O-OG 2.93Å; S55-S59 VanDerWaalsContact O-OG 3.06Å; S55-Y99 WeakPolarHBondContact CA-OH 3.07Å; S55-Y99 WeakPolarHBondContact CB-OH 3.33Å; S55-Y99 PolarHBondContact OG-OH 3.43Å |
| 56 | M | 77.8 | Confident | 76.8 | Confident | 46 Ų | 46 | 34.2 Ų | 34.2 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.3 | -46.7 | 178.4 | -174.4 | -179.7 | 179.7 | 0 | 0 | 112.2 | L52 S53 V54 H58 S59 V60 H157 L158 M161 | L52-M56 VanDerWaalsContact O-CB 3.32Å; L52-M56 WeakPolarHBondContact O-CB 3.48Å; L52-M56 PolarHBondContact O-N 3.37Å; S53-M56 PolarHBondContact O-N 3.09Å; V54-M56 VanDerWaalsContact C-N 3.29Å; V54-M56 PolarHBondContact O-N 2.88Å; M56-H58 VanDerWaalsContact C-N 3.28Å; M56-H58 PolarHBondContact O-N 3.02Å; M56-S59 PolarHBondContact O-N 3.48Å; M56-V60 VanDerWaalsContact O-CG2 3.31Å; M56-V60 WeakPolarHBondContact O-CG2 3.26Å; M56-V60 PolarHBondContact O-N 3.02Å; M56-H157 HydrophobicContact CB-CB 4.11Å; M56-H157 HydrophobicContact CG-CB 4.45Å; M56-L158 HydrophobicContact CE-CB 4.26Å; M56-L158 HydrophobicContact CE-CD1 4.2Å; M56-M161 HydrophobicContact SD-SD 3.71Å |
| 57 | V | 76.8 | Confident | 77.5 | Confident | 75 Ų | 75 | 36 Ų | 36 | 46% | 0.455 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | L30 S53 V54 V60 L61 | L30-V57 HydrophobicContact CD1-CG2 4.1Å; L30-V57 HydrophobicContact CD2-CB 4.15Å; L30-V57 HydrophobicContact CD2-CG2 3.72Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-V57 PolarHBondContact O-N 3.11Å; V54-V57 PolarHBondContact O-N 2.71Å; V57-V60 PolarHBondContact O-N 3.08Å; V57-L61 WeakPolarHBondContact O-CB 3.22Å; V57-L61 PolarHBondContact O-N 3.35Å |
| 58 | H | 81.1 | Confident | 78.1 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -55.5 | 174.1 | 175.3 | 74.2 | 0 | 0 | 0 | 111.6 | V54 S55 M56 V60 L61 T62 Y99 | V54-H58 WeakPolarHBondContact O-CB 3.29Å; V54-H58 PolarHBondContact O-N 2.83Å; S55-H58 WeakPolarHBondContact O-CB 3.47Å; S55-H58 PolarHBondContact O-N 3.24Å; M56-H58 VanDerWaalsContact C-N 3.28Å; M56-H58 PolarHBondContact O-N 3.02Å; H58-V60 VanDerWaalsContact C-N 3.26Å; H58-V60 PolarHBondContact O-N 3.27Å; H58-L61 PolarHBondContact O-N 3.34Å; H58-L61 VanDerWaalsContact O-N 3.07Å; H58-T62 WeakPolarHBondContact CE1-CG2 3.44Å; H58-T62 PolarHBondContact O-N 3.08Å; H58-T62 PolarHBondContact O-OG1 2.77Å; H58-Y99 HydrophobicContact CB-CD1 4.25Å; H58-Y99 HydrophobicContact CB-CD2 3.6Å; H58-Y99 HydrophobicContact CB-CE1 4.47Å; H58-Y99 HydrophobicContact CB-CE2 3.85Å; H58-Y99 HydrophobicContact CB-CG 3.8Å; H58-Y99 AromaticContact CD2-CD1 3.09Å; H58-Y99 WeakPolarHBondContact CD2-CD1 3.48Å; H58-Y99 AromaticContact CD2-CE1 3.41Å; H58-Y99 VanDerWaalsContact CD2-CE1 3.41Å; H58-Y99 WeakPolarHBondContact CD2-CE1 3.35Å; H58-Y99 AromaticContact CD2-CG 3.46Å; H58-Y99 VanDerWaalsContact CD2-CG 3.46Å; H58-Y99 WeakPolarHBondContact CE1-CB 3.03Å; H58-Y99 AromaticContact CE1-CD1 3.6Å; H58-Y99 AromaticContact CE1-CG 3.61Å; H58-Y99 AromaticContact CG-CD1 3.43Å; H58-Y99 VanDerWaalsContact CG-CD1 3.43Å; H58-Y99 AromaticContact CG-CD2 3.61Å; H58-Y99 AromaticContact CG-CE1 3.94Å; H58-Y99 AromaticContact CG-CG 3.23Å; H58-Y99 WeakPolarHBondContact ND1-CB 3.33Å; H58-Y99 AromaticContact ND1-CD1 3.77Å; H58-Y99 AromaticContact ND1-CG 3.37Å; H58-Y99 AromaticContact NE2-CD1 3.23Å; H58-Y99 WeakPolarHBondContact NE2-CD1 3.32Å; H58-Y99 AromaticContact NE2-CE1 3.91Å; H58-Y99 AromaticContact NE2-CG 3.71Å |
| 59 | S | 81.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -34.1 | -178.3 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | S55 M56 G63 E150 S153 V154 | S55-S59 WeakPolarHBondContact O-CB 3.49Å; S55-S59 PolarHBondContact O-N 3.22Å; S55-S59 PolarHBondContact O-OG 2.93Å; S55-S59 VanDerWaalsContact O-OG 3.06Å; M56-S59 PolarHBondContact O-N 3.48Å; S59-G63 WeakPolarHBondContact O-CA 3.41Å; S59-G63 PolarHBondContact O-N 3.2Å; S59-E150 VanDerWaalsContact CB-OE2 3.28Å; S59-E150 WeakPolarHBondContact CB-OE2 3.48Å; S59-E150 PolarHBondContact OG-OE2 2.91Å; S59-S153 WeakPolarHBondContact OG-CB 3.47Å; S59-V154 VanDerWaalsContact C-CG2 3.49Å |
| 60 | V | 81.6 | Confident | 78.7 | Confident | 63 Ų | 63 | 33.5 Ų | 33.5 | 38% | 0.382 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.1 | -50.2 | 173.6 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | M56 V57 H58 T64 V154 | M56-V60 VanDerWaalsContact O-CG2 3.31Å; M56-V60 WeakPolarHBondContact O-CG2 3.26Å; M56-V60 PolarHBondContact O-N 3.02Å; V57-V60 PolarHBondContact O-N 3.08Å; H58-V60 VanDerWaalsContact C-N 3.26Å; H58-V60 PolarHBondContact O-N 3.27Å; V60-T64 VanDerWaalsContact O-CB 3.29Å; V60-T64 WeakPolarHBondContact O-CB 3.19Å; V60-T64 PolarHBondContact O-N 3.4Å; V60-T64 PolarHBondContact O-OG1 3.05Å; V60-V154 HydrophobicContact CB-CG2 4.34Å; V60-V154 HydrophobicContact CG2-CB 4.36Å; V60-V154 HydrophobicContact CG2-CG1 3.72Å; V60-V154 HydrophobicContact CG2-CG2 3.63Å |
| 61 | L | 81.7 | Confident | 79.1 | Confident | 87 Ų | 87 | 35.9 Ų | 35.9 | 46% | 0.455 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.3 | -47.5 | -178 | -174.5 | 142.9 | 0 | 0 | 0 | 111.5 | V57 H58 W65 | V57-L61 WeakPolarHBondContact O-CB 3.22Å; V57-L61 PolarHBondContact O-N 3.35Å; H58-L61 PolarHBondContact O-N 3.34Å; H58-L61 VanDerWaalsContact O-N 3.07Å; L61-W65 HydrophobicContact CD2-CE3 3.92Å; L61-W65 HydrophobicContact CD2-CZ3 4.26Å; L61-W65 WeakPolarHBondContact O-CB 3.49Å; L61-W65 PolarHBondContact O-N 3.28Å |
| 62 | T | 82.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.5 | -38.5 | -178 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | H58 W65 A66 L91 S95 | H58-T62 WeakPolarHBondContact CE1-CG2 3.44Å; H58-T62 PolarHBondContact O-N 3.08Å; H58-T62 PolarHBondContact O-OG1 2.77Å; T62-W65 PolarHBondContact O-N 3.4Å; T62-A66 VanDerWaalsContact O-CB 3.22Å; T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 3.48Å; T62-L91 HydrophobicContact CG2-CD1 3.97Å; T62-S95 VanDerWaalsContact CG2-OG 3.26Å; T62-S95 WeakPolarHBondContact CG2-OG 3.06Å |
| 63 | G | 81.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -49.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S59 A66 L67 | S59-G63 WeakPolarHBondContact O-CA 3.41Å; S59-G63 PolarHBondContact O-N 3.2Å; G63-A66 PolarHBondContact O-N 3.4Å; G63-L67 WeakPolarHBondContact O-CG 3.47Å; G63-L67 PolarHBondContact O-N 3.08Å |
| 64 | T | 83.2 | Confident | 78.9 | Confident | 82 Ų | 82 | 45.3 Ų | 45.3 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 177.3 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | V60 A66 L67 T68 | V60-T64 VanDerWaalsContact O-CB 3.29Å; V60-T64 WeakPolarHBondContact O-CB 3.19Å; V60-T64 PolarHBondContact O-N 3.4Å; V60-T64 PolarHBondContact O-OG1 3.05Å; T64-A66 PolarHBondContact O-N 2.97Å; T64-L67 PolarHBondContact O-N 3.15Å; T64-T68 PolarHBondContact O-N 2.79Å; T64-T68 PolarHBondContact O-OG1 3.09Å |
| 65 | W | 83.2 | Confident | 78.5 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 26% | 0.261 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 178.6 | -162.2 | -19 | 0 | 0 | 0 | 111.8 | L61 T62 L67 T68 C69 L87 L90 L91 | L61-W65 HydrophobicContact CD2-CE3 3.92Å; L61-W65 HydrophobicContact CD2-CZ3 4.26Å; L61-W65 WeakPolarHBondContact O-CB 3.49Å; L61-W65 PolarHBondContact O-N 3.28Å; T62-W65 PolarHBondContact O-N 3.4Å; W65-L67 PolarHBondContact O-N 2.9Å; W65-T68 PolarHBondContact O-N 3.38Å; W65-C69 VanDerWaalsContact CD1-SG 3.51Å; W65-C69 WeakPolarHBondContact O-CB 3.28Å; W65-C69 PolarHBondContact O-N 3.07Å; W65-C69 PolarHBondContact O-SG 3.35Å; W65-L87 HydrophobicContact CZ2-CD2 4.42Å; W65-L90 HydrophobicContact CH2-CD2 3.55Å; W65-L90 HydrophobicContact CZ2-CD2 3.77Å; W65-L91 HydrophobicContact CB-CD1 3.83Å; W65-L91 HydrophobicContact CB-CD2 4.09Å; W65-L91 HydrophobicContact CD2-CB 4.22Å; W65-L91 HydrophobicContact CD2-CD1 3.86Å; W65-L91 HydrophobicContact CD2-CG 4.47Å; W65-L91 HydrophobicContact CE3-CD1 3.9Å; W65-L91 HydrophobicContact CG-CB 4.37Å; W65-L91 HydrophobicContact CG-CD1 3.84Å; W65-L91 HydrophobicContact CG-CD2 4.02Å; W65-L91 HydrophobicContact CG-CG 4.3Å |
| 66 | A | 82.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T62 G63 T64 C69 A70 L91 L144 L147 F148 | T62-A66 VanDerWaalsContact O-CB 3.22Å; T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 3.48Å; G63-A66 PolarHBondContact O-N 3.4Å; T64-A66 PolarHBondContact O-N 2.97Å; A66-C69 PolarHBondContact O-N 2.84Å; A66-A70 PolarHBondContact O-N 3.42Å; A66-L91 HydrophobicContact CB-CD2 4.07Å; A66-L144 HydrophobicContact CB-CD1 4.05Å; A66-L147 HydrophobicContact CB-CB 4.21Å; A66-F148 HydrophobicContact CB-CD1 3.74Å; A66-F148 HydrophobicContact CB-CE1 3.9Å |
| 67 | L | 83.3 | Confident | 77 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 31% | 0.314 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 174.9 | -69.8 | 175.3 | 0 | 0 | 0 | 111.9 | G63 T64 W65 C69 A70 V71 V151 F187 | G63-L67 WeakPolarHBondContact O-CG 3.47Å; G63-L67 PolarHBondContact O-N 3.08Å; T64-L67 PolarHBondContact O-N 3.15Å; W65-L67 PolarHBondContact O-N 2.9Å; L67-C69 VanDerWaalsContact C-N 3.34Å; L67-C69 PolarHBondContact O-N 3.42Å; L67-A70 PolarHBondContact O-N 3.47Å; L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 3.16Å; L67-V151 HydrophobicContact CD1-CG2 3.84Å; L67-V151 HydrophobicContact CD2-CG2 4.44Å; L67-V151 HydrophobicContact CG-CG2 4.04Å; L67-F187 HydrophobicContact CD2-CE1 3.9Å |
| 68 | T | 81.1 | Confident | 76.2 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 41% | 0.405 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | T64 W65 A70 V71 I72 | T64-T68 PolarHBondContact O-N 2.79Å; T64-T68 PolarHBondContact O-OG1 3.09Å; W65-T68 PolarHBondContact O-N 3.38Å; T68-A70 VanDerWaalsContact C-N 3.3Å; T68-A70 PolarHBondContact O-N 3.38Å; T68-V71 PolarHBondContact O-N 2.98Å; T68-I72 HydrophobicContact CG2-CD1 3.53Å; T68-I72 HydrophobicContact CG2-CG1 4.29Å; T68-I72 WeakPolarHBondContact O-CB 3.31Å; T68-I72 VanDerWaalsContact O-CG1 3.23Å; T68-I72 WeakPolarHBondContact O-CG1 3.32Å; T68-I72 PolarHBondContact O-N 3.17Å |
| 69 | C | 77.9 | Confident | 75.3 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 175.7 | -76.6 | 0 | 0 | 0 | 0 | 112.4 | W65 A66 L67 W73 L144 | W65-C69 VanDerWaalsContact CD1-SG 3.51Å; W65-C69 WeakPolarHBondContact O-CB 3.28Å; W65-C69 PolarHBondContact O-N 3.07Å; W65-C69 PolarHBondContact O-SG 3.35Å; A66-C69 PolarHBondContact O-N 2.84Å; L67-C69 VanDerWaalsContact C-N 3.34Å; L67-C69 PolarHBondContact O-N 3.42Å; C69-W73 PolarHBondContact O-N 3.06Å; C69-L144 HydrophobicContact CB-CD1 3.96Å; C69-L144 HydrophobicContact CB-CD2 3.91Å |
| 70 | A | 77.1 | Confident | 74.5 | Confident | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.1 | -35.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A66 L67 T68 W73 F148 | A66-A70 PolarHBondContact O-N 3.42Å; L67-A70 PolarHBondContact O-N 3.47Å; T68-A70 VanDerWaalsContact C-N 3.3Å; T68-A70 PolarHBondContact O-N 3.38Å; A70-W73 CarbonylContact O-C 3.49Å; A70-F148 HydrophobicContact CB-CE1 4.02Å; A70-F148 HydrophobicContact CB-CZ 3.47Å; A70-F148 VanDerWaalsContact CB-CZ 3.47Å |
| 71 | V | 79.1 | Confident | 73.2 | Confident | 120 Ų | 120 | 55.5 Ų | 55.5 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -71.1 | -41.3 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L67 T68 | L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 3.16Å; T68-V71 PolarHBondContact O-N 2.98Å |
| 72 | I | 76.3 | Confident | 72.1 | Confident | 93 Ų | 93 | 60.4 Ų | 60.4 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.4 | -36.2 | -178.8 | -61.3 | 171.8 | 0 | 0 | 0 | 111.1 | T68 | T68-I72 HydrophobicContact CG2-CD1 3.53Å; T68-I72 HydrophobicContact CG2-CG1 4.29Å; T68-I72 WeakPolarHBondContact O-CB 3.31Å; T68-I72 VanDerWaalsContact O-CG1 3.23Å; T68-I72 WeakPolarHBondContact O-CG1 3.32Å; T68-I72 PolarHBondContact O-N 3.17Å |
| 73 | W | 70.6 | Confident | 70.9 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | trans | -125 | 80.6 | 179.8 | -63.8 | -79.9 | 0 | 0 | 0 | 111.5 | C69 A70 E75 T76 F83 N85 L87 | C69-W73 PolarHBondContact O-N 3.06Å; A70-W73 CarbonylContact O-C 3.49Å; W73-E75 PolarHBondContact O-N 3.22Å; W73-E75 VanDerWaalsContact O-N 3.12Å; W73-T76 HydrophobicContact CB-CG2 3.95Å; W73-T76 WeakPolarHBondContact O-CB 3.43Å; W73-T76 VanDerWaalsContact O-CG2 3.28Å; W73-T76 WeakPolarHBondContact O-CG2 3.33Å; W73-T76 PolarHBondContact O-N 2.95Å; W73-T76 PolarHBondContact O-OG1 3.31Å; W73-F83 HydrophobicContact CB-CE1 3.95Å; W73-F83 HydrophobicContact CB-CZ 3.93Å; W73-F83 AromaticContact CD1-CZ 3.81Å; W73-F83 HydrophobicContact CG-CE1 4.28Å; W73-F83 HydrophobicContact CG-CZ 4Å; W73-N85 VanDerWaalsContact CE2-ND2 3.29Å; W73-N85 VanDerWaalsContact CH2-ND2 3.27Å; W73-N85 WeakPolarHBondContact CH2-ND2 3.37Å; W73-N85 WeakPolarHBondContact CZ2-ND2 3.09Å; W73-N85 WeakPolarHBondContact CZ3-ND2 3.14Å; W73-L87 HydrophobicContact CH2-CD1 3.57Å; W73-L87 HydrophobicContact CH2-CG 4.45Å; W73-L87 HydrophobicContact CZ3-CD1 3.77Å | ||
| 74 | P | 67.9 | Low | 69.7 | Low | 84 Ų | 84 | 67.3 Ų | 67.3 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -63 | -20 | 178.1 | 26.2 | -34.5 | 0 | 0 | 0 | 112.7 | T76 L77 | P74-T76 PolarHBondContact O-N 3.45Å; P74-T76 VanDerWaalsContact O-N 3.14Å; P74-L77 WeakPolarHBondContact O-CB 3.4Å; P74-L77 PolarHBondContact O-N 3.02Å |
| 75 | E | 65.6 | Low | 68.9 | Low | 109 Ų | 109 | 64.6 Ų | 64.6 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -59.8 | -19.5 | 172.9 | -63.7 | 177.1 | -173.1 | 0 | 0 | 113.2 | W73 L77 S78 N79 F83 | W73-E75 PolarHBondContact O-N 3.22Å; W73-E75 VanDerWaalsContact O-N 3.12Å; E75-L77 PolarHBondContact O-N 3.5Å; E75-S78 PolarHBondContact O-N 3.31Å; E75-S78 PolarHBondContact O-OG 2.97Å; E75-N79 PolarHBondContact O-N 3.36Å; E75-F83 HydrophobicContact CB-CD2 4.07Å; E75-F83 HydrophobicContact CB-CE2 3.92Å; E75-F83 HydrophobicContact CB-CZ 4.37Å; E75-F83 VanDerWaalsContact OE2-CE2 3.32Å; E75-F83 WeakPolarHBondContact OE2-CE2 3.31Å |
| 76 | T | 61.8 | Low | 68 | Low | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -61.5 | -27.5 | 171.3 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | W73 P74 F83 L144 | W73-T76 HydrophobicContact CB-CG2 3.95Å; W73-T76 WeakPolarHBondContact O-CB 3.43Å; W73-T76 VanDerWaalsContact O-CG2 3.28Å; W73-T76 WeakPolarHBondContact O-CG2 3.33Å; W73-T76 PolarHBondContact O-N 2.95Å; W73-T76 PolarHBondContact O-OG1 3.31Å; P74-T76 PolarHBondContact O-N 3.45Å; P74-T76 VanDerWaalsContact O-N 3.14Å; T76-F83 HydrophobicContact CG2-CD1 3.46Å; T76-F83 VanDerWaalsContact CG2-CD1 3.46Å; T76-F83 HydrophobicContact CG2-CE1 3.41Å; T76-F83 VanDerWaalsContact CG2-CE1 3.41Å; T76-L144 HydrophobicContact CG2-CD2 4.04Å |
| 77 | L | 60.4 | Low | 67.4 | Low | 76 Ų | 76 | 65.8 Ų | 65.8 | 40% | 0.398 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -87.9 | -15.3 | -179.9 | -59.5 | 174.4 | 0 | 0 | 0 | 113.3 | P74 E75 I145 Y194 | P74-L77 WeakPolarHBondContact O-CB 3.4Å; P74-L77 PolarHBondContact O-N 3.02Å; E75-L77 PolarHBondContact O-N 3.5Å; L77-I145 HydrophobicContact CD2-CD1 3.83Å; L77-I145 HydrophobicContact CD2-CG1 3.96Å; L77-Y194 PolarHBondContact O-OH 3.4Å |
| 78 | S | 60 | Low | 66.7 | Low | 77 Ų | 77 | 63 Ų | 63 | 54% | 0.538 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -33.2 | 179.6 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | E75 | E75-S78 PolarHBondContact O-N 3.31Å; E75-S78 PolarHBondContact O-OG 2.97Å |
| 79 | N | 63.7 | Low | 66.2 | Low | 93 Ų | 93 | 60 Ų | 60 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | trans | -118.9 | 61.1 | -173.4 | -73.9 | -47.3 | 0 | 0 | 0 | 113 | E75 H81 F83 | E75-N79 PolarHBondContact O-N 3.36Å; N79-H81 PolarHBondContact O-N 2.75Å; N79-H81 VanDerWaalsContact O-N 3.12Å; N79-F83 HydrophobicContact CB-CB 4.1Å; N79-F83 WeakPolarHBondContact O-CB 2.98Å; N79-F83 PolarHBondContact O-N 3.27Å | ||
| 80 | I | 64.3 | Low | 65.9 | Low | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.1 | -177 | -66.1 | 172.8 | 0 | 0 | 0 | 113.4 | I145 Y194 Y198 | I80-I145 HydrophobicContact CD1-CD1 4.09Å; I80-I145 HydrophobicContact CG1-CD1 4.21Å; I80-Y194 HydrophobicContact CD1-CE1 3.7Å; I80-Y194 WeakPolarHBondContact CD1-OH 3.22Å; I80-Y198 HydrophobicContact CB-CE1 3.92Å; I80-Y198 HydrophobicContact CB-CE2 4.12Å; I80-Y198 HydrophobicContact CD1-CD1 4.01Å; I80-Y198 HydrophobicContact CD1-CD2 3.68Å; I80-Y198 HydrophobicContact CD1-CE1 4.13Å; I80-Y198 HydrophobicContact CD1-CE2 3.81Å; I80-Y198 HydrophobicContact CD1-CG 3.78Å; I80-Y198 HydrophobicContact CG1-CE2 4.36Å; I80-Y198 HydrophobicContact CG2-CD1 4.29Å; I80-Y198 HydrophobicContact CG2-CE1 3.71Å |
| 81 | H | 54.8 | Low | 65.8 | Low | 54 Ų | 54 | 61.8 Ų | 61.8 | 25% | 0.25 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -34 | -169.9 | -144.1 | 112 | 0 | 0 | 0 | 114 | N79 Y139 | N79-H81 PolarHBondContact O-N 2.75Å; N79-H81 VanDerWaalsContact O-N 3.12Å; H81-Y139 AromaticContact CE1-CE1 3.57Å; H81-Y139 AromaticContact CE1-CZ 3.85Å; H81-Y139 PolarHBondContact CE1-OH 2.84Å; H81-Y139 VanDerWaalsContact CE1-OH 3.27Å; H81-Y139 AromaticContact ND1-CE1 3.64Å; H81-Y139 AromaticContact NE2-CE1 3.88Å; H81-Y139 AromaticContact NE2-CZ 3.95Å; H81-Y139 PolarHBondContact NE2-OH 3.37Å |
| 82 | K | 56.6 | Low | 65.5 | Low | 189 Ų | 189 | 56 Ų | 56 | 82% | 0.822 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | -14.1 | -172.3 | -70.9 | -175.2 | 179.6 | 179.1 | 0 | 114.2 | H84 | K82-H84 PolarHBondContact O-N 3.32Š|
| 83 | F | 57.9 | Low | 65.3 | Low | 41 Ų | 41 | 51.7 Ų | 51.7 | 18% | 0.18 | 26% | 0.262 | C | S | . | . | trans | -80.6 | 107 | -177.8 | -165.1 | -91.6 | 0 | 0 | 0 | 110.6 | W73 E75 T76 N79 N85 | W73-F83 HydrophobicContact CB-CE1 3.95Å; W73-F83 HydrophobicContact CB-CZ 3.93Å; W73-F83 AromaticContact CD1-CZ 3.81Å; W73-F83 HydrophobicContact CG-CE1 4.28Å; W73-F83 HydrophobicContact CG-CZ 4Å; E75-F83 HydrophobicContact CB-CD2 4.07Å; E75-F83 HydrophobicContact CB-CE2 3.92Å; E75-F83 HydrophobicContact CB-CZ 4.37Å; E75-F83 VanDerWaalsContact OE2-CE2 3.32Å; E75-F83 WeakPolarHBondContact OE2-CE2 3.31Å; T76-F83 HydrophobicContact CG2-CD1 3.46Å; T76-F83 VanDerWaalsContact CG2-CD1 3.46Å; T76-F83 HydrophobicContact CG2-CE1 3.41Å; T76-F83 VanDerWaalsContact CG2-CE1 3.41Å; N79-F83 HydrophobicContact CB-CB 4.1Å; N79-F83 WeakPolarHBondContact O-CB 2.98Å; N79-F83 PolarHBondContact O-N 3.27Å; F83-N85 HydrophobicContact CE1-CB 4Å | ||
| 84 | H | 57.4 | Low | 65.3 | Low | 106 Ų | 106 | 49.9 Ų | 49.9 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | trans | -107.5 | 136 | 168.3 | 66 | 38.8 | 0 | 0 | 0 | 109.6 | K82 I140 | K82-H84 PolarHBondContact O-N 3.32Å; H84-I140 HydrophobicContact CB-CD1 3.94Å | ||
| 85 | N | 66.5 | Low | 65.4 | Low | 25 Ų | 25 | 45.9 Ų | 45.9 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | trans | -126.8 | 141.1 | 167.9 | -174.4 | 12.4 | 0 | 0 | 0 | 109.4 | W73 F83 L87 S88 Y89 | W73-N85 VanDerWaalsContact CE2-ND2 3.29Å; W73-N85 VanDerWaalsContact CH2-ND2 3.27Å; W73-N85 WeakPolarHBondContact CH2-ND2 3.37Å; W73-N85 WeakPolarHBondContact CZ2-ND2 3.09Å; W73-N85 WeakPolarHBondContact CZ3-ND2 3.14Å; F83-N85 HydrophobicContact CE1-CB 4Å; N85-L87 PolarHBondContact O-N 2.94Å; N85-S88 PolarHBondContact O-N 3.43Å; N85-S88 VanDerWaalsContact O-N 3.1Å; N85-Y89 PolarHBondContact O-N 3.33Å | ||
| 86 | T | 64.4 | Low | 65.5 | Low | 42 Ų | 42 | 40.8 Ų | 40.8 | 26% | 0.258 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -50.1 | -43.9 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | L5 L90 | L5-T86 HydrophobicContact CB-CG2 4.47Å; L5-T86 HydrophobicContact CD1-CG2 3.43Å; L5-T86 VanDerWaalsContact CD1-CG2 3.43Å; L5-T86 HydrophobicContact CD2-CG2 3.89Å; L5-T86 WeakPolarHBondContact CD2-OG1 3.22Å; L5-T86 HydrophobicContact CG-CG2 4.11Å; T86-L90 WeakPolarHBondContact O-CB 3.23Å; T86-L90 PolarHBondContact O-N 3.03Å |
| 87 | L | 68.2 | Low | 65.5 | Low | 52 Ų | 52 | 40.8 Ų | 40.8 | 27% | 0.272 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71.4 | -37.3 | -179.8 | -65.1 | -177.5 | 0 | 0 | 0 | 112.6 | W65 W73 N85 L91 | W65-L87 HydrophobicContact CZ2-CD2 4.42Å; W73-L87 HydrophobicContact CH2-CD1 3.57Å; W73-L87 HydrophobicContact CH2-CG 4.45Å; W73-L87 HydrophobicContact CZ3-CD1 3.77Å; N85-L87 PolarHBondContact O-N 2.94Å; L87-L91 VanDerWaalsContact O-CB 3.25Å; L87-L91 WeakPolarHBondContact O-CB 3.23Å; L87-L91 PolarHBondContact O-N 2.92Å |
| 88 | S | 68.7 | Low | 65.7 | Low | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68 | -40.4 | 175.7 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | N85 L91 I92 | N85-S88 PolarHBondContact O-N 3.43Å; N85-S88 VanDerWaalsContact O-N 3.1Å; S88-L91 PolarHBondContact O-N 2.86Å; S88-I92 WeakPolarHBondContact O-CD1 3.09Å; S88-I92 VanDerWaalsContact O-CG1 3.27Å; S88-I92 WeakPolarHBondContact O-CG1 3.41Å; S88-I92 PolarHBondContact O-N 3.32Å |
| 89 | Y | 71.8 | Confident | 66.3 | Low | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.3 | -174.5 | -98.7 | 0 | 0 | 0 | 111.9 | L5 L8 N85 L91 I92 C93 L134 Q137 I140 | L5-Y89 HydrophobicContact CD1-CD1 4.49Å; L8-Y89 HydrophobicContact CD2-CE1 4.48Å; N85-Y89 PolarHBondContact O-N 3.33Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.11Å; Y89-I92 PolarHBondContact O-N 3.4Å; Y89-C93 WeakPolarHBondContact O-CB 3.49Å; Y89-C93 PolarHBondContact O-N 3.02Å; Y89-L134 HydrophobicContact CD2-CD2 3.77Å; Y89-L134 HydrophobicContact CE1-CD2 4.39Å; Y89-L134 HydrophobicContact CE2-CB 4.37Å; Y89-L134 HydrophobicContact CE2-CD2 3.34Å; Y89-L134 HydrophobicContact CE2-CG 4.44Å; Y89-L134 HydrophobicContact CG-CD2 4.45Å; Y89-L134 PolarHBondContact OH-O 3.06Å; Y89-Q137 PolarHBondContact OH-NE2 2.97Å; Y89-I140 HydrophobicContact CD2-CD1 3.75Å; Y89-I140 HydrophobicContact CD2-CG1 4.44Å |
| 90 | L | 71.3 | Confident | 66.8 | Low | 50 Ų | 50 | 29.6 Ų | 29.6 | 26% | 0.262 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 176.9 | -166.6 | 93.8 | 0 | 0 | 0 | 111.2 | L8 W65 T86 I92 C93 V94 | L8-L90 HydrophobicContact CD2-CD1 4.26Å; W65-L90 HydrophobicContact CH2-CD2 3.55Å; W65-L90 HydrophobicContact CZ2-CD2 3.77Å; T86-L90 WeakPolarHBondContact O-CB 3.23Å; T86-L90 PolarHBondContact O-N 3.03Å; L90-I92 PolarHBondContact O-N 3.37Å; L90-C93 PolarHBondContact O-N 3.16Å; L90-V94 HydrophobicContact CG-CG2 4.42Å; L90-V94 WeakPolarHBondContact O-CB 3.02Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 2.99Å |
| 91 | L | 74.4 | Confident | 67.1 | Low | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.2 | -47.1 | 175.8 | 173.4 | 60.7 | 0 | 0 | 0 | 111.3 | T62 W65 A66 L87 S88 Y89 V94 S95 L144 L147 | T62-L91 HydrophobicContact CG2-CD1 3.97Å; W65-L91 HydrophobicContact CB-CD1 3.83Å; W65-L91 HydrophobicContact CB-CD2 4.09Å; W65-L91 HydrophobicContact CD2-CB 4.22Å; W65-L91 HydrophobicContact CD2-CD1 3.86Å; W65-L91 HydrophobicContact CD2-CG 4.47Å; W65-L91 HydrophobicContact CE3-CD1 3.9Å; W65-L91 HydrophobicContact CG-CB 4.37Å; W65-L91 HydrophobicContact CG-CD1 3.84Å; W65-L91 HydrophobicContact CG-CD2 4.02Å; W65-L91 HydrophobicContact CG-CG 4.3Å; A66-L91 HydrophobicContact CB-CD2 4.07Å; L87-L91 VanDerWaalsContact O-CB 3.25Å; L87-L91 WeakPolarHBondContact O-CB 3.23Å; L87-L91 PolarHBondContact O-N 2.92Å; S88-L91 PolarHBondContact O-N 2.86Å; Y89-L91 VanDerWaalsContact C-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.11Å; L91-V94 PolarHBondContact O-N 3.24Å; L91-S95 VanDerWaalsContact O-CB 3.29Å; L91-S95 WeakPolarHBondContact O-CB 3.47Å; L91-S95 PolarHBondContact O-N 3.38Å; L91-S95 PolarHBondContact O-OG 2.95Å; L91-L144 HydrophobicContact CD2-CD1 3.54Å; L91-L147 HydrophobicContact CD2-CD1 4.11Å; L91-L147 HydrophobicContact CG-CD1 3.93Å |
| 92 | I | 73.9 | Confident | 68 | Low | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 177.9 | -63.6 | 157.7 | 0 | 0 | 0 | 109.9 | S88 Y89 L90 V94 S95 T96 F130 L134 I140 A143 L147 | S88-I92 WeakPolarHBondContact O-CD1 3.09Å; S88-I92 VanDerWaalsContact O-CG1 3.27Å; S88-I92 WeakPolarHBondContact O-CG1 3.41Å; S88-I92 PolarHBondContact O-N 3.32Å; Y89-I92 PolarHBondContact O-N 3.4Å; L90-I92 PolarHBondContact O-N 3.37Å; I92-V94 PolarHBondContact O-N 3.47Å; I92-S95 PolarHBondContact O-N 3.22Å; I92-T96 WeakPolarHBondContact O-CB 3.31Å; I92-T96 PolarHBondContact O-N 3.36Å; I92-T96 PolarHBondContact O-OG1 3.25Å; I92-F130 HydrophobicContact CG2-CB 3.97Å; I92-F130 HydrophobicContact CG2-CD2 4.19Å; I92-F130 HydrophobicContact CG2-CG 4.13Å; I92-L134 HydrophobicContact CB-CD2 4.11Å; I92-L134 HydrophobicContact CG2-CD1 4.13Å; I92-L134 HydrophobicContact CG2-CD2 3.79Å; I92-L134 HydrophobicContact CG2-CG 3.8Å; I92-I140 HydrophobicContact CD1-CB 4.25Å; I92-I140 HydrophobicContact CD1-CG2 3.64Å; I92-I140 WeakPolarHBondContact CD1-O 3.45Å; I92-A143 HydrophobicContact CD1-CB 3.66Å; I92-A143 HydrophobicContact CG1-CB 4.09Å; I92-L147 HydrophobicContact CG1-CD1 4.42Å |
| 93 | C | 71.5 | Confident | 68.8 | Low | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.2 | -48.6 | 176.2 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | Y89 L90 S95 A97 L134 | Y89-C93 WeakPolarHBondContact O-CB 3.49Å; Y89-C93 PolarHBondContact O-N 3.02Å; L90-C93 PolarHBondContact O-N 3.16Å; C93-S95 VanDerWaalsContact C-N 3.3Å; C93-S95 PolarHBondContact O-N 3.12Å; C93-A97 WeakPolarHBondContact O-CB 3.4Å; C93-A97 PolarHBondContact O-N 3.1Å; C93-L134 HydrophobicContact CB-CD2 4.24Å |
| 94 | V | 70.4 | Confident | 69.6 | Low | 36 Ų | 36 | 21.8 Ų | 21.8 | 22% | 0.218 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -62.7 | -39.1 | 177 | 171.2 | 0 | 0 | 0 | 0 | 111 | L90 L91 I92 G98 | L90-V94 HydrophobicContact CG-CG2 4.42Å; L90-V94 WeakPolarHBondContact O-CB 3.02Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 2.99Å; L91-V94 PolarHBondContact O-N 3.24Å; I92-V94 PolarHBondContact O-N 3.47Å; V94-G98 WeakPolarHBondContact O-CA 3.24Å; V94-G98 PolarHBondContact O-N 2.99Å |
| 95 | S | 70.6 | Confident | 70.2 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -69.8 | -50.7 | -179 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | T62 L91 I92 C93 Y99 F100 | T62-S95 VanDerWaalsContact CG2-OG 3.26Å; T62-S95 WeakPolarHBondContact CG2-OG 3.06Å; L91-S95 VanDerWaalsContact O-CB 3.29Å; L91-S95 WeakPolarHBondContact O-CB 3.47Å; L91-S95 PolarHBondContact O-N 3.38Å; L91-S95 PolarHBondContact O-OG 2.95Å; I92-S95 PolarHBondContact O-N 3.22Å; C93-S95 VanDerWaalsContact C-N 3.3Å; C93-S95 PolarHBondContact O-N 3.12Å; S95-Y99 PolarHBondContact O-N 2.92Å; S95-F100 VanDerWaalsContact O-CD2 3.23Å; S95-F100 WeakPolarHBondContact O-CD2 3.38Å; S95-F100 PolarHBondContact O-N 3.29Å; S95-F100 VanDerWaalsContact O-N 3.11Å |
| 96 | T | 67 | Low | 70.5 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -68.5 | -46.3 | -178.4 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | I92 V101 I127 F130 L131 L134 | I92-T96 WeakPolarHBondContact O-CB 3.31Å; I92-T96 PolarHBondContact O-N 3.36Å; I92-T96 PolarHBondContact O-OG1 3.25Å; T96-V101 VanDerWaalsContact O-CG2 3.24Å; T96-V101 WeakPolarHBondContact O-CG2 3.42Å; T96-I127 HydrophobicContact CG2-CG2 4.49Å; T96-F130 HydrophobicContact CG2-CB 3.93Å; T96-F130 WeakPolarHBondContact OG1-CB 3.34Å; T96-F130 WeakPolarHBondContact OG1-CD2 3.39Å; T96-L131 HydrophobicContact CG2-CD2 3.96Å; T96-L131 HydrophobicContact CG2-CG 3.87Å; T96-L134 HydrophobicContact CG2-CD1 4.33Å |
| 97 | A | 61.2 | Low | 70.8 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -84.4 | -37.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V16 C19 S20 C93 | V16-A97 HydrophobicContact CB-CB 3.59Å; V16-A97 HydrophobicContact CG1-CB 3.31Å; V16-A97 HydrophobicContact CG2-CB 3.84Å; V16-A97 VanDerWaalsContact O-CB 3.23Å; V16-A97 WeakPolarHBondContact O-CB 3.3Å; C19-A97 HydrophobicContact CB-CB 4.07Å; S20-A97 VanDerWaalsContact CB-O 3.28Å; S20-A97 WeakPolarHBondContact CB-O 3.09Å; S20-A97 PolarHBondContact OG-O 2.75Å; C93-A97 WeakPolarHBondContact O-CB 3.4Å; C93-A97 PolarHBondContact O-N 3.1Å |
| 98 | G | 64.8 | Low | 71.1 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -78.9 | -60.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111.1 | F23 V94 H102 | F23-G98 WeakPolarHBondContact CD1-O 3.33Å; F23-G98 VanDerWaalsContact CG-O 3.29Å; F23-G98 WeakPolarHBondContact CG-O 3.41Å; V94-G98 WeakPolarHBondContact O-CA 3.24Å; V94-G98 PolarHBondContact O-N 2.99Å; G98-H102 WeakPolarHBondContact O-CB 3.45Å |
| 99 | Y | 72.5 | Confident | 71.2 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -98.5 | -56 | -166.9 | 173.7 | -104.3 | 0 | 0 | 0 | 113.8 | F23 V54 S55 H58 S95 V101 H102 D103 | F23-Y99 HydrophobicContact CE1-CD2 4.08Å; F23-Y99 HydrophobicContact CE2-CD2 4.32Å; F23-Y99 AromaticContact CZ-CD2 3.56Å; F23-Y99 HydrophobicContact CZ-CD2 3.56Å; F23-Y99 HydrophobicContact CZ-CG 4.25Å; V54-Y99 HydrophobicContact CG1-CE2 4.43Å; S55-Y99 WeakPolarHBondContact CA-OH 3.07Å; S55-Y99 WeakPolarHBondContact CB-OH 3.33Å; S55-Y99 PolarHBondContact OG-OH 3.43Å; H58-Y99 HydrophobicContact CB-CD1 4.25Å; H58-Y99 HydrophobicContact CB-CD2 3.6Å; H58-Y99 HydrophobicContact CB-CE1 4.47Å; H58-Y99 HydrophobicContact CB-CE2 3.85Å; H58-Y99 HydrophobicContact CB-CG 3.8Å; H58-Y99 AromaticContact CD2-CD1 3.09Å; H58-Y99 WeakPolarHBondContact CD2-CD1 3.48Å; H58-Y99 AromaticContact CD2-CE1 3.41Å; H58-Y99 VanDerWaalsContact CD2-CE1 3.41Å; H58-Y99 WeakPolarHBondContact CD2-CE1 3.35Å; H58-Y99 AromaticContact CD2-CG 3.46Å; H58-Y99 VanDerWaalsContact CD2-CG 3.46Å; H58-Y99 WeakPolarHBondContact CE1-CB 3.03Å; H58-Y99 AromaticContact CE1-CD1 3.6Å; H58-Y99 AromaticContact CE1-CG 3.61Å; H58-Y99 AromaticContact CG-CD1 3.43Å; H58-Y99 VanDerWaalsContact CG-CD1 3.43Å; H58-Y99 AromaticContact CG-CD2 3.61Å; H58-Y99 AromaticContact CG-CE1 3.94Å; H58-Y99 AromaticContact CG-CG 3.23Å; H58-Y99 WeakPolarHBondContact ND1-CB 3.33Å; H58-Y99 AromaticContact ND1-CD1 3.77Å; H58-Y99 AromaticContact ND1-CG 3.37Å; H58-Y99 AromaticContact NE2-CD1 3.23Å; H58-Y99 WeakPolarHBondContact NE2-CD1 3.32Å; H58-Y99 AromaticContact NE2-CE1 3.91Å; H58-Y99 AromaticContact NE2-CG 3.71Å; S95-Y99 PolarHBondContact O-N 2.92Å; Y99-V101 PolarHBondContact O-N 3.39Å; Y99-H102 CarbonylContact O-C 3.11Å; Y99-H102 PolarHBondContact O-N 3.05Å; Y99-H102 VanDerWaalsContact O-N 3.08Å; Y99-D103 HydrophobicContact CD2-CB 4.41Å; Y99-D103 HydrophobicContact CE1-CB 4.48Å; Y99-D103 HydrophobicContact CE2-CB 4.05Å; Y99-D103 WeakPolarHBondContact O-CB 3.08Å; Y99-D103 PolarHBondContact O-N 3.5Å; Y99-D103 PolarHBondContact OH-OD2 3.26Å |
| 100 | F | 73.6 | Confident | 70.9 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -62.9 | -44 | -168.7 | -75.2 | -61.9 | 0 | 0 | 0 | 112.9 | S95 A104 H123 V126 I127 F130 L147 | S95-F100 VanDerWaalsContact O-CD2 3.23Å; S95-F100 WeakPolarHBondContact O-CD2 3.38Å; S95-F100 PolarHBondContact O-N 3.29Å; S95-F100 VanDerWaalsContact O-N 3.11Å; F100-A104 WeakPolarHBondContact O-CB 3.47Å; F100-A104 PolarHBondContact O-N 2.85Å; F100-A104 VanDerWaalsContact O-N 3.08Å; F100-H123 AromaticContact CD1-CE1 3.8Å; F100-H123 AromaticContact CD1-ND1 3.33Å; F100-H123 VanDerWaalsContact CD1-ND1 3.33Å; F100-H123 WeakPolarHBondContact CD1-ND1 3.46Å; F100-H123 AromaticContact CE1-ND1 3.86Å; F100-V126 HydrophobicContact CD2-CG1 4.2Å; F100-V126 HydrophobicContact CE1-CG1 4.3Å; F100-V126 HydrophobicContact CE2-CG1 3.96Å; F100-V126 HydrophobicContact CZ-CG1 4Å; F100-I127 HydrophobicContact CB-CD1 4.1Å; F100-I127 HydrophobicContact CB-CG1 3.61Å; F100-F130 HydrophobicContact CD2-CE2 4.49Å; F100-F130 HydrophobicContact CE2-CD2 4.4Å; F100-F130 AromaticContact CE2-CE2 3.95Å; F100-F130 HydrophobicContact CE2-CE2 3.95Å; F100-L147 HydrophobicContact CE2-CD2 4.29Å |
| 101 | V | 72.6 | Confident | 70.5 | Confident | 69 Ų | 69 | 29.2 Ų | 29.2 | 42% | 0.418 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.3 | -39 | 175 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | T96 Y99 G105 I127 | T96-V101 VanDerWaalsContact O-CG2 3.24Å; T96-V101 WeakPolarHBondContact O-CG2 3.42Å; Y99-V101 PolarHBondContact O-N 3.39Å; V101-G105 PolarHBondContact O-N 2.87Å; V101-I127 HydrophobicContact CG2-CD1 3.97Å; V101-I127 HydrophobicContact CG2-CG1 4.19Å; V101-I127 HydrophobicContact CG2-CG2 3.99Å |
| 102 | H | 73.4 | Confident | 70 | Confident | 37 Ų | 37 | 32.1 Ų | 32.1 | 17% | 0.171 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -47.6 | 178.5 | 179.3 | -62.3 | 0 | 0 | 0 | 111.7 | F23 H27 G98 Y99 G105 D106 | F23-H102 HydrophobicContact CD1-CB 4.11Å; F23-H102 AromaticContact CD1-CG 3.97Å; F23-H102 HydrophobicContact CE1-CB 4.32Å; H27-H102 AromaticContact CE1-CE1 3.3Å; H27-H102 PolarHBondContact CE1-CE1 2.87Å; H27-H102 AromaticContact CE1-NE2 3.86Å; H27-H102 AromaticContact ND1-CE1 2.91Å; H27-H102 PolarHBondContact ND1-CE1 2.96Å; H27-H102 AromaticContact ND1-ND1 3.86Å; H27-H102 AromaticContact ND1-NE2 3.09Å; H27-H102 PolarHBondContact ND1-NE2 2.9Å; G98-H102 WeakPolarHBondContact O-CB 3.45Å; Y99-H102 CarbonylContact O-C 3.11Å; Y99-H102 PolarHBondContact O-N 3.05Å; Y99-H102 VanDerWaalsContact O-N 3.08Å; H102-G105 PolarHBondContact O-N 3.38Å; H102-D106 PolarHBondContact O-N 3.45Å |
| 103 | D | 73 | Confident | 69.4 | Low | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | -178.6 | -168.3 | 41.2 | 0 | 0 | 0 | 110.9 | N51 Y99 G105 D106 I107 H123 | N51-D103 PolarHBondContact ND2-OD1 3.38Å; N51-D103 PolarHBondContact OD1-OD1 3.04Å; Y99-D103 HydrophobicContact CD2-CB 4.41Å; Y99-D103 HydrophobicContact CE1-CB 4.48Å; Y99-D103 HydrophobicContact CE2-CB 4.05Å; Y99-D103 WeakPolarHBondContact O-CB 3.08Å; Y99-D103 PolarHBondContact O-N 3.5Å; Y99-D103 PolarHBondContact OH-OD2 3.26Å; D103-G105 VanDerWaalsContact C-N 3.31Å; D103-G105 PolarHBondContact O-N 3.21Å; D103-D106 PolarHBondContact O-N 3.22Å; D103-I107 WeakPolarHBondContact O-CD1 3.33Å; D103-I107 VanDerWaalsContact O-CG1 3.26Å; D103-I107 WeakPolarHBondContact O-CG1 3.36Å; D103-I107 PolarHBondContact O-N 3.03Å; D103-H123 IonicContact OD2-CE1 3.52Å; D103-H123 IonicContact OD2-NE2 2.71Å; D103-H123 PolarHBondContact OD2-NE2 2.85Å; D103-H123 VanDerWaalsContact OD2-NE2 3.1Å |
| 104 | A | 73.7 | Confident | 68.9 | Low | 14 Ų | 14 | 44.5 Ų | 44.5 | 12% | 0.116 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F100 I108 L120 H123 I127 | F100-A104 WeakPolarHBondContact O-CB 3.47Å; F100-A104 PolarHBondContact O-N 2.85Å; F100-A104 VanDerWaalsContact O-N 3.08Å; A104-I108 WeakPolarHBondContact O-CD1 3.45Å; A104-I108 VanDerWaalsContact O-CG1 3.22Å; A104-I108 WeakPolarHBondContact O-CG1 3.33Å; A104-I108 PolarHBondContact O-N 3.42Å; A104-I108 VanDerWaalsContact O-N 3.11Å; A104-L120 HydrophobicContact CB-CD2 4.23Å; A104-H123 HydrophobicContact CB-CB 4.12Å; A104-I127 HydrophobicContact CB-CD1 4.36Å |
| 105 | G | 71.6 | Confident | 68.4 | Low | 25 Ų | 25 | 44.9 Ų | 44.9 | 26% | 0.258 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V101 H102 D103 I107 I108 L109 | V101-G105 PolarHBondContact O-N 2.87Å; H102-G105 PolarHBondContact O-N 3.38Å; D103-G105 VanDerWaalsContact C-N 3.31Å; D103-G105 PolarHBondContact O-N 3.21Å; G105-I107 PolarHBondContact O-N 2.8Å; G105-I108 PolarHBondContact O-N 2.85Å; G105-L109 WeakPolarHBondContact O-CB 3.4Å; G105-L109 VanDerWaalsContact O-CG 3.23Å; G105-L109 WeakPolarHBondContact O-CG 3.19Å; G105-L109 PolarHBondContact O-N 3.3Å |
| 106 | D | 71.9 | Confident | 68.4 | Low | 35 Ų | 35 | 45.9 Ų | 45.9 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 179.4 | -164.1 | 69.2 | 0 | 0 | 0 | 111.5 | W47 H102 D103 I108 L109 T110 | W47-D106 PolarHBondContact NE1-OD2 2.97Å; H102-D106 PolarHBondContact O-N 3.45Å; D103-D106 PolarHBondContact O-N 3.22Å; D106-I108 VanDerWaalsContact C-N 3.34Å; D106-I108 PolarHBondContact O-N 3.42Å; D106-L109 PolarHBondContact O-N 3.37Å; D106-T110 VanDerWaalsContact O-CB 3.3Å; D106-T110 WeakPolarHBondContact O-CB 3.39Å; D106-T110 VanDerWaalsContact O-CG2 3.22Å; D106-T110 WeakPolarHBondContact O-CG2 3.29Å; D106-T110 PolarHBondContact O-N 3.31Å; D106-T110 PolarHBondContact O-OG1 2.87Å |
| 107 | I | 70.8 | Confident | 68.7 | Low | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.7 | -65.8 | 165.6 | 0 | 0 | 0 | 111.7 | W47 D103 G105 T110 H112 G113 L120 | W47-I107 HydrophobicContact CH2-CG1 4.38Å; D103-I107 WeakPolarHBondContact O-CD1 3.33Å; D103-I107 VanDerWaalsContact O-CG1 3.26Å; D103-I107 WeakPolarHBondContact O-CG1 3.36Å; D103-I107 PolarHBondContact O-N 3.03Å; G105-I107 PolarHBondContact O-N 2.8Å; I107-T110 PolarHBondContact O-OG1 3.33Å; I107-H112 PolarHBondContact O-N 3.16Å; I107-G113 PolarHBondContact O-N 3.26Å; I107-L120 HydrophobicContact CB-CD2 4.05Å; I107-L120 HydrophobicContact CG2-CD1 4.07Å; I107-L120 HydrophobicContact CG2-CD2 3.88Å; I107-L120 HydrophobicContact CG2-CG 3.94Å |
| 108 | I | 74.2 | Confident | 69.5 | Low | 107 Ų | 107 | 57.4 Ų | 57.4 | 55% | 0.549 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.7 | -49.3 | 178.6 | -68 | 165.9 | 0 | 0 | 0 | 110.5 | A104 G105 D106 T110 G111 L120 | A104-I108 WeakPolarHBondContact O-CD1 3.45Å; A104-I108 VanDerWaalsContact O-CG1 3.22Å; A104-I108 WeakPolarHBondContact O-CG1 3.33Å; A104-I108 PolarHBondContact O-N 3.42Å; A104-I108 VanDerWaalsContact O-N 3.11Å; G105-I108 PolarHBondContact O-N 2.85Å; D106-I108 VanDerWaalsContact C-N 3.34Å; D106-I108 PolarHBondContact O-N 3.42Å; I108-T110 PolarHBondContact O-N 2.9Å; I108-G111 PolarHBondContact O-N 2.74Å; I108-L120 HydrophobicContact CD1-CD2 4.12Å; I108-L120 HydrophobicContact CG1-CD1 4.04Å; I108-L120 HydrophobicContact CG1-CD2 3.83Å |
| 109 | L | 70.9 | Confident | 70 | Confident | 152 Ų | 152 | 61.3 Ų | 61.3 | 80% | 0.796 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70.6 | -30.1 | -174.8 | -68.9 | 172.9 | 0 | 0 | 0 | 113 | G105 D106 G111 | G105-L109 WeakPolarHBondContact O-CB 3.4Å; G105-L109 VanDerWaalsContact O-CG 3.23Å; G105-L109 WeakPolarHBondContact O-CG 3.19Å; G105-L109 PolarHBondContact O-N 3.3Å; D106-L109 PolarHBondContact O-N 3.37Å; L109-G111 PolarHBondContact O-N 2.82Å |
| 110 | T | 65.7 | Low | 70.4 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.6 | 175.3 | 59 | 0 | 0 | 0 | 0 | 113.8 | W47 D106 I107 I108 H112 | W47-T110 HydrophobicContact CZ2-CG2 4.28Å; W47-T110 WeakPolarHBondContact CZ2-OG1 3.26Å; D106-T110 VanDerWaalsContact O-CB 3.3Å; D106-T110 WeakPolarHBondContact O-CB 3.39Å; D106-T110 VanDerWaalsContact O-CG2 3.22Å; D106-T110 WeakPolarHBondContact O-CG2 3.29Å; D106-T110 PolarHBondContact O-N 3.31Å; D106-T110 PolarHBondContact O-OG1 2.87Å; I107-T110 PolarHBondContact O-OG1 3.33Å; I108-T110 PolarHBondContact O-N 2.9Å; T110-H112 VanDerWaalsContact C-N 3.27Å; T110-H112 PolarHBondContact O-CE1 3.02Å; T110-H112 PolarHBondContact O-N 3.07Å; T110-H112 PolarHBondContact O-ND1 3.44Å; T110-H112 PolarHBondContact OG1-ND1 3.5Å |
| 111 | G | 62 | Low | 70.9 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 6.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I108 L109 G113 | I108-G111 PolarHBondContact O-N 2.74Å; L109-G111 PolarHBondContact O-N 2.82Å; G111-G113 VanDerWaalsContact C-N 3.32Å |
| 112 | H | 64.9 | Low | 71.5 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | trans | -87.9 | 2.7 | 179.9 | -62.1 | 100.8 | 0 | 0 | 0 | 113.7 | F44 W47 I107 T110 R114 G115 S116 | F44-H112 AromaticContact CD2-CD2 3.83Å; F44-H112 AromaticContact CD2-NE2 3.4Å; F44-H112 WeakPolarHBondContact CD2-NE2 3.14Å; F44-H112 AromaticContact CE2-CD2 3.46Å; F44-H112 VanDerWaalsContact CE2-CD2 3.46Å; F44-H112 WeakPolarHBondContact CE2-CD2 3.23Å; F44-H112 AromaticContact CE2-NE2 3.57Å; W47-H112 HydrophobicContact CH2-CB 4.26Å; W47-H112 HydrophobicContact CZ3-CB 4.41Å; W47-H112 AromaticContact CZ3-ND1 3.98Å; I107-H112 PolarHBondContact O-N 3.16Å; T110-H112 VanDerWaalsContact C-N 3.27Å; T110-H112 PolarHBondContact O-CE1 3.02Å; T110-H112 PolarHBondContact O-N 3.07Å; T110-H112 PolarHBondContact O-ND1 3.44Å; T110-H112 PolarHBondContact OG1-ND1 3.5Å; H112-R114 VanDerWaalsContact C-N 3.28Å; H112-R114 PolarHBondContact O-N 3.42Å; H112-R114 VanDerWaalsContact O-N 3.17Å; H112-G115 PolarHBondContact O-N 2.82Å; H112-S116 PolarHBondContact O-N 2.87Å; H112-S116 VanDerWaalsContact O-N 3.16Å | ||
| 113 | G | 61.5 | Low | 72 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I107 G111 G115 S116 W117 | I107-G113 PolarHBondContact O-N 3.26Å; G111-G113 VanDerWaalsContact C-N 3.32Å; G113-G115 VanDerWaalsContact C-N 3.34Å; G113-G115 PolarHBondContact O-N 3.44Å; G113-S116 CarbonylContact O-C 3.58Å; G113-S116 PolarHBondContact O-N 3.46Å; G113-W117 WeakPolarHBondContact O-CA 3.33Å; G113-W117 PolarHBondContact O-N 3.01Å; G113-W117 VanDerWaalsContact O-N 3.07Å |
| 114 | R | 60.7 | Low | 72.6 | Confident | 248 Ų | 248 | 63.9 Ų | 63.9 | 94% | 0.936 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -31.2 | 175.8 | -72 | -175.7 | 121.5 | 135.8 | 0.7 | 113.2 | H112 | H112-R114 VanDerWaalsContact C-N 3.28Å; H112-R114 PolarHBondContact O-N 3.42Å; H112-R114 VanDerWaalsContact O-N 3.17Å |
| 115 | G | 60.6 | Low | 73.2 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -26.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | H112 G113 F256 | H112-G115 PolarHBondContact O-N 2.82Å; G113-G115 VanDerWaalsContact C-N 3.34Å; G113-G115 PolarHBondContact O-N 3.44Å; G115-F256 WeakPolarHBondContact O-CE2 3.48Å; G115-F256 WeakPolarHBondContact O-CZ 3.2Å |
| 116 | S | 68.9 | Low | 73.8 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -118 | 27.9 | -174 | -67 | 0 | 0 | 0 | 0 | 113.4 | H112 G113 E118 F119 L120 | H112-S116 PolarHBondContact O-N 2.87Å; H112-S116 VanDerWaalsContact O-N 3.16Å; G113-S116 CarbonylContact O-C 3.58Å; G113-S116 PolarHBondContact O-N 3.46Å; S116-E118 VanDerWaalsContact C-N 3.27Å; S116-E118 PolarHBondContact O-N 2.67Å; S116-F119 WeakPolarHBondContact O-CB 3.48Å; S116-F119 PolarHBondContact O-N 2.87Å; S116-L120 PolarHBondContact O-N 2.97Å |
| 117 | W | 74.8 | Confident | 74.4 | Confident | 171 Ų | 171 | 63.4 Ų | 63.4 | 65% | 0.648 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -57.4 | -38.3 | -177.2 | 178.9 | -99.2 | 0 | 0 | 0 | 113.1 | G113 F119 L120 L121 | G113-W117 WeakPolarHBondContact O-CA 3.33Å; G113-W117 PolarHBondContact O-N 3.01Å; G113-W117 VanDerWaalsContact O-N 3.07Å; W117-F119 VanDerWaalsContact C-N 3.29Å; W117-F119 PolarHBondContact O-N 2.93Å; W117-L120 PolarHBondContact O-N 2.84Å; W117-L121 WeakPolarHBondContact O-CB 3.47Å; W117-L121 PolarHBondContact O-N 3.26Å |
| 118 | E | 78.3 | Confident | 75.1 | Confident | 74 Ų | 74 | 69.4 Ų | 69.4 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.9 | -55.9 | 178.2 | 158.5 | 0 | 0 | 111.6 | S116 L121 H122 Y226 R229 | S116-E118 VanDerWaalsContact C-N 3.27Å; S116-E118 PolarHBondContact O-N 2.67Å; E118-L121 PolarHBondContact O-N 2.97Å; E118-H122 PolarHBondContact O-N 3.48Å; E118-Y226 WeakPolarHBondContact CB-OH 3.25Å; E118-Y226 WeakPolarHBondContact OE2-CE1 3.31Å; E118-Y226 PolarHBondContact OE2-OH 3.27Å; E118-Y226 VanDerWaalsContact OE2-OH 3.13Å; E118-R229 IonicContact OE1-CZ 3.24Å; E118-R229 IonicContact OE1-NH1 3.35Å; E118-R229 PolarHBondContact OE1-NH1 3.47Å; E118-R229 IonicContact OE1-NH2 2.8Å; E118-R229 PolarHBondContact OE1-NH2 3.42Å; E118-R229 IonicContact OE2-CZ 3.58Å; E118-R229 IonicContact OE2-NH1 3.42Å; E118-R229 PolarHBondContact OE2-NH1 3.25Å; E118-R229 IonicContact OE2-NH2 2.84Å |
| 119 | F | 74.9 | Confident | 75.6 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 36% | 0.36 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.2 | -36.7 | 176.1 | -62.9 | -76.6 | 0 | 0 | 0 | 112.3 | S116 W117 H122 H123 | S116-F119 WeakPolarHBondContact O-CB 3.48Å; S116-F119 PolarHBondContact O-N 2.87Å; W117-F119 VanDerWaalsContact C-N 3.29Å; W117-F119 PolarHBondContact O-N 2.93Å; F119-H122 WeakPolarHBondContact O-CB 3.34Å; F119-H122 PolarHBondContact O-N 2.82Å; F119-H123 PolarHBondContact O-CD2 3.18Å; F119-H123 PolarHBondContact O-N 3.07Å |
| 120 | L | 80.2 | Confident | 76.2 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 174.4 | -73.9 | 173.7 | 0 | 0 | 0 | 111.9 | A104 I107 I108 S116 W117 H122 H123 A124 | A104-L120 HydrophobicContact CB-CD2 4.23Å; I107-L120 HydrophobicContact CB-CD2 4.05Å; I107-L120 HydrophobicContact CG2-CD1 4.07Å; I107-L120 HydrophobicContact CG2-CD2 3.88Å; I107-L120 HydrophobicContact CG2-CG 3.94Å; I108-L120 HydrophobicContact CD1-CD2 4.12Å; I108-L120 HydrophobicContact CG1-CD1 4.04Å; I108-L120 HydrophobicContact CG1-CD2 3.83Å; S116-L120 PolarHBondContact O-N 2.97Å; W117-L120 PolarHBondContact O-N 2.84Å; L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H123 PolarHBondContact O-N 3.04Å; L120-A124 WeakPolarHBondContact O-CB 3.28Å; L120-A124 PolarHBondContact O-N 3.33Å |
| 121 | L | 83.6 | Confident | 77 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 31% | 0.314 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.7 | 179.8 | 136.6 | 0 | 0 | 0 | 111.1 | W117 E118 A124 M125 M218 M222 | W117-L121 WeakPolarHBondContact O-CB 3.47Å; W117-L121 PolarHBondContact O-N 3.26Å; E118-L121 PolarHBondContact O-N 2.97Å; L121-A124 PolarHBondContact O-N 3.04Å; L121-M125 HydrophobicContact CD2-CE 3.31Å; L121-M125 HydrophobicContact CD2-SD 4.2Å; L121-M125 HydrophobicContact CG-CE 4.15Å; L121-M125 WeakPolarHBondContact O-CE 3.24Å; L121-M125 WeakPolarHBondContact O-CG 3.42Å; L121-M125 PolarHBondContact O-N 2.84Å; L121-M125 VanDerWaalsContact O-N 3.11Å; L121-M218 HydrophobicContact CD1-CE 4.41Å; L121-M218 HydrophobicContact CD2-CE 4.33Å; L121-M222 HydrophobicContact CD2-SD 4.13Å |
| 122 | H | 86.5 | Confident | 78 | Confident | 28 Ų | 28 | 58 Ų | 58 | 13% | 0.13 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.8 | -52.7 | 170.5 | 172.5 | 67.6 | 0 | 0 | 0 | 112.3 | E118 F119 L120 A124 M125 V126 M219 M222 | E118-H122 PolarHBondContact O-N 3.48Å; F119-H122 WeakPolarHBondContact O-CB 3.34Å; F119-H122 PolarHBondContact O-N 2.82Å; L120-H122 VanDerWaalsContact C-N 3.34Å; H122-A124 VanDerWaalsContact C-N 3.34Å; H122-A124 PolarHBondContact O-N 3.41Å; H122-M125 PolarHBondContact O-N 2.82Å; H122-V126 WeakPolarHBondContact O-CG2 3.43Å; H122-V126 PolarHBondContact O-N 3.19Å; H122-M219 VanDerWaalsContact CE1-CE 3.49Å; H122-M219 WeakPolarHBondContact CE1-CE 3.35Å; H122-M219 VanDerWaalsContact ND1-CE 3.35Å; H122-M219 WeakPolarHBondContact ND1-CE 3.07Å; H122-M219 PolarHBondContact ND1-SD 3.19Å; H122-M222 HydrophobicContact CB-CE 3.44Å; H122-M222 VanDerWaalsContact CB-CE 3.44Å; H122-M222 HydrophobicContact CB-SD 4.13Å |
| 123 | H | 84.3 | Confident | 78.8 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 180 | -71.3 | -47.7 | 0 | 0 | 0 | 112.1 | F100 D103 A104 F119 L120 M125 V126 I127 | F100-H123 AromaticContact CD1-CE1 3.8Å; F100-H123 AromaticContact CD1-ND1 3.33Å; F100-H123 VanDerWaalsContact CD1-ND1 3.33Å; F100-H123 WeakPolarHBondContact CD1-ND1 3.46Å; F100-H123 AromaticContact CE1-ND1 3.86Å; D103-H123 IonicContact OD2-CE1 3.52Å; D103-H123 IonicContact OD2-NE2 2.71Å; D103-H123 PolarHBondContact OD2-NE2 2.85Å; D103-H123 VanDerWaalsContact OD2-NE2 3.1Å; A104-H123 HydrophobicContact CB-CB 4.12Å; F119-H123 PolarHBondContact O-CD2 3.18Å; F119-H123 PolarHBondContact O-N 3.07Å; L120-H123 PolarHBondContact O-N 3.04Å; H123-M125 VanDerWaalsContact C-N 3.35Å; H123-M125 PolarHBondContact O-N 3.18Å; H123-V126 PolarHBondContact O-N 3.05Å; H123-I127 HydrophobicContact CB-CD1 4.23Å; H123-I127 VanDerWaalsContact O-CB 3.27Å; H123-I127 WeakPolarHBondContact O-CB 3.47Å; H123-I127 WeakPolarHBondContact O-CD1 3.35Å; H123-I127 WeakPolarHBondContact O-CG1 3.46Å; H123-I127 PolarHBondContact O-N 3.48Å |
| 124 | A | 84.1 | Confident | 79.6 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 50% | 0.496 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L120 L121 H122 W128 | L120-A124 WeakPolarHBondContact O-CB 3.28Å; L120-A124 PolarHBondContact O-N 3.33Å; L121-A124 PolarHBondContact O-N 3.04Å; H122-A124 VanDerWaalsContact C-N 3.34Å; H122-A124 PolarHBondContact O-N 3.41Å; A124-W128 WeakPolarHBondContact O-CB 3.41Å; A124-W128 PolarHBondContact O-N 3.06Å; A124-W128 VanDerWaalsContact O-N 3.11Å |
| 125 | M | 86.9 | Confident | 80.4 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 178.2 | -71.6 | -175.3 | -64.3 | 0 | 0 | 112.1 | L121 H122 H123 C129 T215 M218 M219 | L121-M125 HydrophobicContact CD2-CE 3.31Å; L121-M125 HydrophobicContact CD2-SD 4.2Å; L121-M125 HydrophobicContact CG-CE 4.15Å; L121-M125 WeakPolarHBondContact O-CE 3.24Å; L121-M125 WeakPolarHBondContact O-CG 3.42Å; L121-M125 PolarHBondContact O-N 2.84Å; L121-M125 VanDerWaalsContact O-N 3.11Å; H122-M125 PolarHBondContact O-N 2.82Å; H123-M125 VanDerWaalsContact C-N 3.35Å; H123-M125 PolarHBondContact O-N 3.18Å; M125-C129 PolarHBondContact O-N 2.59Å; M125-C129 VanDerWaalsContact O-N 3.12Å; M125-C129 PolarHBondContact O-SG 3.02Å; M125-C129 VanDerWaalsContact O-SG 3.42Å; M125-T215 HydrophobicContact CB-CG2 3.81Å; M125-T215 HydrophobicContact CG-CG2 4.03Å; M125-T215 HydrophobicContact SD-CG2 4.18Å; M125-M218 HydrophobicContact CE-CB 4.46Å; M125-M218 HydrophobicContact SD-CB 3.74Å; M125-M218 HydrophobicContact SD-CE 3.9Å; M125-M218 HydrophobicContact SD-SD 4.21Å; M125-M219 HydrophobicContact CB-SD 4.49Å; M125-M219 HydrophobicContact CE-CG 4.05Å; M125-M219 HydrophobicContact CE-SD 3.56Å; M125-M219 VanDerWaalsContact CE-SD 3.56Å; M125-M219 HydrophobicContact SD-CG 4.36Å |
| 126 | V | 84.8 | Confident | 81 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | -179.7 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | F100 H122 H123 W128 C129 F130 M219 | F100-V126 HydrophobicContact CD2-CG1 4.2Å; F100-V126 HydrophobicContact CE1-CG1 4.3Å; F100-V126 HydrophobicContact CE2-CG1 3.96Å; F100-V126 HydrophobicContact CZ-CG1 4Å; H122-V126 WeakPolarHBondContact O-CG2 3.43Å; H122-V126 PolarHBondContact O-N 3.19Å; H123-V126 PolarHBondContact O-N 3.05Å; V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 PolarHBondContact O-N 3.35Å; V126-C129 PolarHBondContact O-N 3.41Å; V126-F130 HydrophobicContact CG1-CD1 4.45Å; V126-F130 HydrophobicContact CG1-CD2 4.01Å; V126-F130 HydrophobicContact CG1-CE1 4.27Å; V126-F130 HydrophobicContact CG1-CE2 3.82Å; V126-F130 HydrophobicContact CG1-CG 4.33Å; V126-F130 HydrophobicContact CG1-CZ 3.96Å; V126-F130 WeakPolarHBondContact O-CB 3.41Å; V126-F130 WeakPolarHBondContact O-CG 3.37Å; V126-F130 PolarHBondContact O-N 2.81Å; V126-M219 HydrophobicContact CG2-CE 3.92Å |
| 127 | I | 84.5 | Confident | 81.2 | Confident | 26 Ų | 26 | 52 Ų | 52 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.7 | -47.4 | 179 | -70.7 | 163.7 | 0 | 0 | 0 | 110 | T96 F100 V101 A104 H123 F130 L131 | T96-I127 HydrophobicContact CG2-CG2 4.49Å; F100-I127 HydrophobicContact CB-CD1 4.1Å; F100-I127 HydrophobicContact CB-CG1 3.61Å; V101-I127 HydrophobicContact CG2-CD1 3.97Å; V101-I127 HydrophobicContact CG2-CG1 4.19Å; V101-I127 HydrophobicContact CG2-CG2 3.99Å; A104-I127 HydrophobicContact CB-CD1 4.36Å; H123-I127 HydrophobicContact CB-CD1 4.23Å; H123-I127 VanDerWaalsContact O-CB 3.27Å; H123-I127 WeakPolarHBondContact O-CB 3.47Å; H123-I127 WeakPolarHBondContact O-CD1 3.35Å; H123-I127 WeakPolarHBondContact O-CG1 3.46Å; H123-I127 PolarHBondContact O-N 3.48Å; I127-F130 PolarHBondContact O-N 3.28Å; I127-L131 HydrophobicContact CG2-CD1 3.7Å; I127-L131 HydrophobicContact CG2-CG 4.19Å; I127-L131 VanDerWaalsContact O-CB 3.32Å; I127-L131 WeakPolarHBondContact O-CB 3.38Å; I127-L131 VanDerWaalsContact O-CG 3.24Å; I127-L131 WeakPolarHBondContact O-CG 3.27Å; I127-L131 PolarHBondContact O-N 3.43Å |
| 128 | W | 84.8 | Confident | 81 | Confident | 133 Ų | 133 | 46.6 Ų | 46.6 | 50% | 0.504 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.8 | -48 | -179.5 | 177.2 | -93.7 | 0 | 0 | 0 | 112.3 | A124 V126 F130 L131 Y132 Y211 | A124-W128 WeakPolarHBondContact O-CB 3.41Å; A124-W128 PolarHBondContact O-N 3.06Å; A124-W128 VanDerWaalsContact O-N 3.11Å; V126-W128 VanDerWaalsContact C-N 3.32Å; V126-W128 PolarHBondContact O-N 3.35Å; W128-F130 VanDerWaalsContact C-N 3.3Å; W128-F130 PolarHBondContact O-N 2.91Å; W128-L131 PolarHBondContact O-N 3.02Å; W128-Y132 PolarHBondContact O-N 3.42Å; W128-Y211 AromaticContact CD1-CE1 3.43Å; W128-Y211 VanDerWaalsContact CD1-CE1 3.43Å; W128-Y211 AromaticContact CD1-CZ 3.67Å; W128-Y211 AromaticContact NE1-CE1 3.21Å; W128-Y211 AromaticContact NE1-CZ 3.42Å; W128-Y211 PolarHBondContact NE1-OH 3.5Å; W128-Y211 VanDerWaalsContact NE1-OH 3.16Å |
| 129 | C | 83.8 | Confident | 80.9 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 178 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | M125 V126 Y132 A133 | M125-C129 PolarHBondContact O-N 2.59Å; M125-C129 VanDerWaalsContact O-N 3.12Å; M125-C129 PolarHBondContact O-SG 3.02Å; M125-C129 VanDerWaalsContact O-SG 3.42Å; V126-C129 PolarHBondContact O-N 3.41Å; C129-Y132 PolarHBondContact O-N 2.9Å; C129-A133 PolarHBondContact O-N 3.28Å; C129-A133 VanDerWaalsContact O-N 3.09Å |
| 130 | F | 84.1 | Confident | 80.9 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.6 | -36 | 179.3 | -71.1 | 4.3 | 0 | 0 | 0 | 112.4 | I92 T96 F100 V126 I127 W128 Y132 A133 L134 A143 A146 L147 | I92-F130 HydrophobicContact CG2-CB 3.97Å; I92-F130 HydrophobicContact CG2-CD2 4.19Å; I92-F130 HydrophobicContact CG2-CG 4.13Å; T96-F130 HydrophobicContact CG2-CB 3.93Å; T96-F130 WeakPolarHBondContact OG1-CB 3.34Å; T96-F130 WeakPolarHBondContact OG1-CD2 3.39Å; F100-F130 HydrophobicContact CD2-CE2 4.49Å; F100-F130 HydrophobicContact CE2-CD2 4.4Å; F100-F130 AromaticContact CE2-CE2 3.95Å; F100-F130 HydrophobicContact CE2-CE2 3.95Å; V126-F130 HydrophobicContact CG1-CD1 4.45Å; V126-F130 HydrophobicContact CG1-CD2 4.01Å; V126-F130 HydrophobicContact CG1-CE1 4.27Å; V126-F130 HydrophobicContact CG1-CE2 3.82Å; V126-F130 HydrophobicContact CG1-CG 4.33Å; V126-F130 HydrophobicContact CG1-CZ 3.96Å; V126-F130 WeakPolarHBondContact O-CB 3.41Å; V126-F130 WeakPolarHBondContact O-CG 3.37Å; V126-F130 PolarHBondContact O-N 2.81Å; I127-F130 PolarHBondContact O-N 3.28Å; W128-F130 VanDerWaalsContact C-N 3.3Å; W128-F130 PolarHBondContact O-N 2.91Å; F130-Y132 VanDerWaalsContact C-N 3.33Å; F130-A133 PolarHBondContact O-N 2.84Å; F130-L134 WeakPolarHBondContact O-CB 3.48Å; F130-L134 VanDerWaalsContact O-CG 3.25Å; F130-L134 WeakPolarHBondContact O-CG 3.48Å; F130-L134 PolarHBondContact O-N 3.43Å; F130-A143 HydrophobicContact CD1-CB 3.77Å; F130-A143 HydrophobicContact CE1-CB 3.69Å; F130-A143 HydrophobicContact CZ-CB 4.43Å; F130-A146 HydrophobicContact CE1-CB 4.25Å; F130-A146 HydrophobicContact CZ-CB 4.42Å; F130-L147 HydrophobicContact CE2-CD1 4.33Å; F130-L147 HydrophobicContact CE2-CD2 3.81Å; F130-L147 HydrophobicContact CE2-CG 3.94Å; F130-L147 HydrophobicContact CZ-CD2 4.06Å; F130-L147 HydrophobicContact CZ-CG 3.86Å |
| 131 | L | 82.7 | Confident | 80.9 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 171.7 | -77.5 | 174.5 | 0 | 0 | 0 | 110.7 | T96 I127 W128 A133 L134 Y135 | T96-L131 HydrophobicContact CG2-CD2 3.96Å; T96-L131 HydrophobicContact CG2-CG 3.87Å; I127-L131 HydrophobicContact CG2-CD1 3.7Å; I127-L131 HydrophobicContact CG2-CG 4.19Å; I127-L131 VanDerWaalsContact O-CB 3.32Å; I127-L131 WeakPolarHBondContact O-CB 3.38Å; I127-L131 VanDerWaalsContact O-CG 3.24Å; I127-L131 WeakPolarHBondContact O-CG 3.27Å; I127-L131 PolarHBondContact O-N 3.43Å; W128-L131 PolarHBondContact O-N 3.02Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 2.91Å; L131-L134 PolarHBondContact O-N 2.97Å; L131-L134 VanDerWaalsContact O-N 3.16Å; L131-Y135 HydrophobicContact CD2-CE2 4.35Å; L131-Y135 VanDerWaalsContact O-CD2 3.27Å; L131-Y135 WeakPolarHBondContact O-CD2 3.44Å; L131-Y135 PolarHBondContact O-N 3.16Å |
| 132 | Y | 83 | Confident | 80.7 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.9 | -47.9 | 175.2 | -178.2 | -82.6 | 0 | 0 | 0 | 111.5 | W128 C129 F130 L134 Y135 T136 Y139 F212 | W128-Y132 PolarHBondContact O-N 3.42Å; C129-Y132 PolarHBondContact O-N 2.9Å; F130-Y132 VanDerWaalsContact C-N 3.33Å; Y132-L134 VanDerWaalsContact C-N 3.29Å; Y132-L134 PolarHBondContact O-N 2.95Å; Y132-Y135 PolarHBondContact O-N 3.35Å; Y132-T136 HydrophobicContact CD1-CG2 4.1Å; Y132-T136 HydrophobicContact CD2-CG2 4.22Å; Y132-T136 HydrophobicContact CE1-CG2 3.8Å; Y132-T136 HydrophobicContact CE2-CG2 3.91Å; Y132-T136 HydrophobicContact CG-CG2 4.33Å; Y132-T136 WeakPolarHBondContact O-CB 3.27Å; Y132-T136 WeakPolarHBondContact O-CG2 3.4Å; Y132-T136 PolarHBondContact O-N 3.4Å; Y132-T136 PolarHBondContact O-OG1 3.24Å; Y132-Y139 HydrophobicContact CE1-CD2 4.14Å; Y132-Y139 HydrophobicContact CE1-CE2 4.18Å; Y132-F212 HydrophobicContact CD1-CE1 4.36Å; Y132-F212 HydrophobicContact CD1-CE2 4.21Å; Y132-F212 AromaticContact CD1-CZ 3.43Å; Y132-F212 HydrophobicContact CD1-CZ 3.43Å; Y132-F212 VanDerWaalsContact CD1-CZ 3.43Å; Y132-F212 HydrophobicContact CD2-CZ 4.41Å; Y132-F212 AromaticContact CE1-CE2 3.86Å; Y132-F212 HydrophobicContact CE1-CE2 3.86Å; Y132-F212 AromaticContact CE1-CZ 3.56Å; Y132-F212 HydrophobicContact CE1-CZ 3.56Å; Y132-F212 AromaticContact CG-CZ 3.87Å; Y132-F212 HydrophobicContact CG-CZ 3.87Å |
| 133 | A | 80.9 | Confident | 80.5 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -35.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C129 F130 L131 Q137 L138 A143 | C129-A133 PolarHBondContact O-N 3.28Å; C129-A133 VanDerWaalsContact O-N 3.09Å; F130-A133 PolarHBondContact O-N 2.84Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 2.91Å; A133-Q137 WeakPolarHBondContact O-CA 3.49Å; A133-Q137 PolarHBondContact O-N 3.35Å; A133-L138 WeakPolarHBondContact CA-O 3.24Å; A133-L138 WeakPolarHBondContact CB-O 3.32Å; A133-A143 HydrophobicContact CB-CB 4.43Å |
| 134 | L | 78.4 | Confident | 80.5 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.1 | -38.8 | 176.9 | -71.6 | 172.5 | 0 | 0 | 0 | 113 | Y89 I92 C93 T96 F130 L131 Y132 Q137 | Y89-L134 HydrophobicContact CD2-CD2 3.77Å; Y89-L134 HydrophobicContact CE1-CD2 4.39Å; Y89-L134 HydrophobicContact CE2-CB 4.37Å; Y89-L134 HydrophobicContact CE2-CD2 3.34Å; Y89-L134 HydrophobicContact CE2-CG 4.44Å; Y89-L134 HydrophobicContact CG-CD2 4.45Å; Y89-L134 PolarHBondContact OH-O 3.06Å; I92-L134 HydrophobicContact CB-CD2 4.11Å; I92-L134 HydrophobicContact CG2-CD1 4.13Å; I92-L134 HydrophobicContact CG2-CD2 3.79Å; I92-L134 HydrophobicContact CG2-CG 3.8Å; C93-L134 HydrophobicContact CB-CD2 4.24Å; T96-L134 HydrophobicContact CG2-CD1 4.33Å; F130-L134 WeakPolarHBondContact O-CB 3.48Å; F130-L134 VanDerWaalsContact O-CG 3.25Å; F130-L134 WeakPolarHBondContact O-CG 3.48Å; F130-L134 PolarHBondContact O-N 3.43Å; L131-L134 PolarHBondContact O-N 2.97Å; L131-L134 VanDerWaalsContact O-N 3.16Å; Y132-L134 VanDerWaalsContact C-N 3.29Å; Y132-L134 PolarHBondContact O-N 2.95Å; L134-Q137 PolarHBondContact O-NE2 3.43Å |
| 135 | Y | 78.2 | Confident | 80.5 | Confident | 151 Ų | 151 | 33 Ų | 33 | 59% | 0.592 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -76.4 | -44 | -180 | -86.9 | -73.1 | 0 | 0 | 0 | 112.4 | P12 L131 Y132 Q137 | P12-Y135 HydrophobicContact CG-CD1 3.96Å; P12-Y135 HydrophobicContact CG-CE1 3.71Å; L131-Y135 HydrophobicContact CD2-CE2 4.35Å; L131-Y135 VanDerWaalsContact O-CD2 3.27Å; L131-Y135 WeakPolarHBondContact O-CD2 3.44Å; L131-Y135 PolarHBondContact O-N 3.16Å; Y132-Y135 PolarHBondContact O-N 3.35Å; Y135-Q137 VanDerWaalsContact C-N 3.34Å |
| 136 | T | 74.3 | Confident | 80.5 | Confident | 53 Ų | 53 | 33.3 Ų | 33.3 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -82 | -16.3 | -179 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | Y132 L138 | Y132-T136 HydrophobicContact CD1-CG2 4.1Å; Y132-T136 HydrophobicContact CD2-CG2 4.22Å; Y132-T136 HydrophobicContact CE1-CG2 3.8Å; Y132-T136 HydrophobicContact CE2-CG2 3.91Å; Y132-T136 HydrophobicContact CG-CG2 4.33Å; Y132-T136 WeakPolarHBondContact O-CB 3.27Å; Y132-T136 WeakPolarHBondContact O-CG2 3.4Å; Y132-T136 PolarHBondContact O-N 3.4Å; Y132-T136 PolarHBondContact O-OG1 3.24Å; T136-L138 PolarHBondContact O-N 2.71Å; T136-L138 VanDerWaalsContact O-N 3.07Å; T136-L138 PolarHBondContact OG1-N 3.11Å |
| 137 | Q | 71.7 | Confident | 80.6 | Confident | 51 Ų | 51 | 32.6 Ų | 32.6 | 24% | 0.238 | 16% | 0.158 | C | C | . | . | trans | 58.3 | 11.7 | -170.8 | -54.4 | -76.4 | -44.9 | 0 | 0 | 113.4 | Y89 A133 L134 Y135 I140 | Y89-Q137 PolarHBondContact OH-NE2 2.97Å; A133-Q137 WeakPolarHBondContact O-CA 3.49Å; A133-Q137 PolarHBondContact O-N 3.35Å; L134-Q137 PolarHBondContact O-NE2 3.43Å; Y135-Q137 VanDerWaalsContact C-N 3.34Å; Q137-I140 HydrophobicContact CB-CD1 4.43Å; Q137-I140 WeakPolarHBondContact O-CD1 3.35Å | ||
| 138 | L | 71.6 | Confident | 80.6 | Confident | 56 Ų | 56 | 32.4 Ų | 32.4 | 29% | 0.293 | 16% | 0.156 | S | C | . | . | trans | -98.1 | 151.8 | 177 | -62.7 | 173.8 | 0 | 0 | 0 | 109.4 | A133 T136 I140 | A133-L138 WeakPolarHBondContact CA-O 3.24Å; A133-L138 WeakPolarHBondContact CB-O 3.32Å; T136-L138 PolarHBondContact O-N 2.71Å; T136-L138 VanDerWaalsContact O-N 3.07Å; T136-L138 PolarHBondContact OG1-N 3.11Å; L138-I140 PolarHBondContact O-N 3.42Å; L138-I140 VanDerWaalsContact O-N 3.17Å | ||
| 139 | Y | 75.3 | Confident | 80.7 | Confident | 24 Ų | 24 | 27.2 Ų | 27.2 | 9% | 0.094 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 62 | 20.6 | 175.9 | -43.2 | -64.9 | 0 | 0 | 0 | 115.7 | H81 Y132 A141 G142 A143 L206 | H81-Y139 AromaticContact CE1-CE1 3.57Å; H81-Y139 AromaticContact CE1-CZ 3.85Å; H81-Y139 PolarHBondContact CE1-OH 2.84Å; H81-Y139 VanDerWaalsContact CE1-OH 3.27Å; H81-Y139 AromaticContact ND1-CE1 3.64Å; H81-Y139 AromaticContact NE2-CE1 3.88Å; H81-Y139 AromaticContact NE2-CZ 3.95Å; H81-Y139 PolarHBondContact NE2-OH 3.37Å; Y132-Y139 HydrophobicContact CE1-CD2 4.14Å; Y132-Y139 HydrophobicContact CE1-CE2 4.18Å; Y139-A141 VanDerWaalsContact C-N 3.26Å; Y139-A141 PolarHBondContact O-N 3.12Å; Y139-G142 WeakPolarHBondContact O-CA 3.48Å; Y139-G142 PolarHBondContact O-N 3.06Å; Y139-A143 PolarHBondContact O-N 3.31Å; Y139-L206 HydrophobicContact CD1-CD2 4.16Å; Y139-L206 HydrophobicContact CE1-CD2 3.28Å; Y139-L206 WeakPolarHBondContact OH-CD2 3.43Å |
| 140 | I | 76.5 | Confident | 80.8 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.6 | -43.7 | 174.7 | -67.3 | 171.3 | 0 | 0 | 0 | 110.6 | H84 Y89 I92 Q137 L138 G142 A143 L144 | H84-I140 HydrophobicContact CB-CD1 3.94Å; Y89-I140 HydrophobicContact CD2-CD1 3.75Å; Y89-I140 HydrophobicContact CD2-CG1 4.44Å; I92-I140 HydrophobicContact CD1-CB 4.25Å; I92-I140 HydrophobicContact CD1-CG2 3.64Å; I92-I140 WeakPolarHBondContact CD1-O 3.45Å; Q137-I140 HydrophobicContact CB-CD1 4.43Å; Q137-I140 WeakPolarHBondContact O-CD1 3.35Å; L138-I140 PolarHBondContact O-N 3.42Å; L138-I140 VanDerWaalsContact O-N 3.17Å; I140-G142 VanDerWaalsContact C-N 3.32Å; I140-G142 PolarHBondContact O-N 3.41Å; I140-A143 PolarHBondContact O-N 3.11Å; I140-L144 PolarHBondContact O-N 3.49Å |
| 141 | A | 78.6 | Confident | 80.8 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65 | -34.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y139 L144 I145 | Y139-A141 VanDerWaalsContact C-N 3.26Å; Y139-A141 PolarHBondContact O-N 3.12Å; A141-L144 WeakPolarHBondContact O-CB 3.46Å; A141-L144 PolarHBondContact O-N 3.48Å; A141-I145 VanDerWaalsContact O-CG1 3.29Å; A141-I145 WeakPolarHBondContact O-CG1 3.33Å; A141-I145 PolarHBondContact O-N 3.34Å |
| 142 | G | 80.6 | Confident | 81.1 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y139 I140 L144 I145 A146 | Y139-G142 WeakPolarHBondContact O-CA 3.48Å; Y139-G142 PolarHBondContact O-N 3.06Å; I140-G142 VanDerWaalsContact C-N 3.32Å; I140-G142 PolarHBondContact O-N 3.41Å; G142-L144 VanDerWaalsContact C-N 3.3Å; G142-L144 PolarHBondContact O-N 3.03Å; G142-I145 PolarHBondContact O-N 2.96Å; G142-A146 PolarHBondContact O-N 3.49Å |
| 143 | A | 82.7 | Confident | 81.2 | Confident | 8 Ų | 8 | 23 Ų | 23 | 7% | 0.066 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.8 | -36.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I92 F130 A133 Y139 I140 A146 L147 | I92-A143 HydrophobicContact CD1-CB 3.66Å; I92-A143 HydrophobicContact CG1-CB 4.09Å; F130-A143 HydrophobicContact CD1-CB 3.77Å; F130-A143 HydrophobicContact CE1-CB 3.69Å; F130-A143 HydrophobicContact CZ-CB 4.43Å; A133-A143 HydrophobicContact CB-CB 4.43Å; Y139-A143 PolarHBondContact O-N 3.31Å; I140-A143 PolarHBondContact O-N 3.11Å; A143-A146 PolarHBondContact O-N 3.28Å; A143-L147 PolarHBondContact O-N 3.06Å; A143-L147 VanDerWaalsContact O-N 3.14Å |
| 144 | L | 84 | Confident | 81.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 172.1 | 179.2 | 71.9 | 0 | 0 | 0 | 112 | A66 C69 T76 L91 I140 A141 G142 A146 L147 | A66-L144 HydrophobicContact CB-CD1 4.05Å; C69-L144 HydrophobicContact CB-CD1 3.96Å; C69-L144 HydrophobicContact CB-CD2 3.91Å; T76-L144 HydrophobicContact CG2-CD2 4.04Å; L91-L144 HydrophobicContact CD2-CD1 3.54Å; I140-L144 PolarHBondContact O-N 3.49Å; A141-L144 WeakPolarHBondContact O-CB 3.46Å; A141-L144 PolarHBondContact O-N 3.48Å; G142-L144 VanDerWaalsContact C-N 3.3Å; G142-L144 PolarHBondContact O-N 3.03Å; L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 2.95Å; L144-L147 WeakPolarHBondContact O-CB 3.34Å; L144-L147 PolarHBondContact O-N 3.13Å; L144-L147 VanDerWaalsContact O-N 3.15Å |
| 145 | I | 83.6 | Confident | 81.4 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | 178.1 | -63.9 | 167.5 | 0 | 0 | 0 | 110.4 | L77 I80 A141 G142 L147 F148 T191 Y194 L195 | L77-I145 HydrophobicContact CD2-CD1 3.83Å; L77-I145 HydrophobicContact CD2-CG1 3.96Å; I80-I145 HydrophobicContact CD1-CD1 4.09Å; I80-I145 HydrophobicContact CG1-CD1 4.21Å; A141-I145 VanDerWaalsContact O-CG1 3.29Å; A141-I145 WeakPolarHBondContact O-CG1 3.33Å; A141-I145 PolarHBondContact O-N 3.34Å; G142-I145 PolarHBondContact O-N 2.96Å; I145-L147 PolarHBondContact O-N 2.84Å; I145-F148 VanDerWaalsContact O-CB 3.31Å; I145-F148 WeakPolarHBondContact O-CB 3.41Å; I145-F148 PolarHBondContact O-N 3.42Å; I145-F148 VanDerWaalsContact O-N 3.09Å; I145-T191 HydrophobicContact CG2-CG2 4.42Å; I145-Y194 HydrophobicContact CD1-CD1 4.43Å; I145-Y194 HydrophobicContact CD1-CE1 3.75Å; I145-Y194 HydrophobicContact CG2-CD1 4.17Å; I145-L195 HydrophobicContact CB-CD1 4.22Å; I145-L195 HydrophobicContact CG2-CD1 3.72Å; I145-L195 HydrophobicContact CG2-CG 4.38Å |
| 146 | A | 86.4 | Confident | 81.6 | Confident | 28 Ų | 28 | 20.1 Ų | 20.1 | 23% | 0.231 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.4 | -31.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F130 G142 A143 L144 F148 V149 L195 | F130-A146 HydrophobicContact CE1-CB 4.25Å; F130-A146 HydrophobicContact CZ-CB 4.42Å; G142-A146 PolarHBondContact O-N 3.49Å; A143-A146 PolarHBondContact O-N 3.28Å; L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 2.95Å; A146-F148 VanDerWaalsContact C-N 3.26Å; A146-F148 PolarHBondContact O-N 3.39Å; A146-V149 WeakPolarHBondContact O-CB 3.31Å; A146-V149 WeakPolarHBondContact O-CG1 3.46Å; A146-V149 PolarHBondContact O-N 2.93Å; A146-L195 HydrophobicContact CB-CD1 4.18Å |
| 147 | L | 86.4 | Confident | 82.1 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12.5 | 175.6 | -78.2 | 170.6 | 0 | 0 | 0 | 114.3 | A66 L91 I92 F100 F130 A143 L144 I145 V149 E150 | A66-L147 HydrophobicContact CB-CB 4.21Å; L91-L147 HydrophobicContact CD2-CD1 4.11Å; L91-L147 HydrophobicContact CG-CD1 3.93Å; I92-L147 HydrophobicContact CG1-CD1 4.42Å; F100-L147 HydrophobicContact CE2-CD2 4.29Å; F130-L147 HydrophobicContact CE2-CD1 4.33Å; F130-L147 HydrophobicContact CE2-CD2 3.81Å; F130-L147 HydrophobicContact CE2-CG 3.94Å; F130-L147 HydrophobicContact CZ-CD2 4.06Å; F130-L147 HydrophobicContact CZ-CG 3.86Å; A143-L147 PolarHBondContact O-N 3.06Å; A143-L147 VanDerWaalsContact O-N 3.14Å; L144-L147 WeakPolarHBondContact O-CB 3.34Å; L144-L147 PolarHBondContact O-N 3.13Å; L144-L147 VanDerWaalsContact O-N 3.15Å; I145-L147 PolarHBondContact O-N 2.84Å; L147-V149 PolarHBondContact O-N 2.86Å; L147-V149 VanDerWaalsContact O-N 3.11Å; L147-E150 HydrophobicContact CD2-CG 4.02Å; L147-E150 VanDerWaalsContact O-CB 3.24Å; L147-E150 WeakPolarHBondContact O-CB 3.2Å; L147-E150 WeakPolarHBondContact O-CG 3.25Å; L147-E150 PolarHBondContact O-N 2.8Å |
| 148 | F | 85.4 | Confident | 82.4 | Confident | 22 Ų | 22 | 19.6 Ų | 19.6 | 10% | 0.096 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.7 | 172.8 | -74.6 | 6.2 | 0 | 0 | 0 | 112.5 | A66 A70 I145 A146 E150 V151 F187 T191 | A66-F148 HydrophobicContact CB-CD1 3.74Å; A66-F148 HydrophobicContact CB-CE1 3.9Å; A70-F148 HydrophobicContact CB-CE1 4.02Å; A70-F148 HydrophobicContact CB-CZ 3.47Å; A70-F148 VanDerWaalsContact CB-CZ 3.47Å; I145-F148 VanDerWaalsContact O-CB 3.31Å; I145-F148 WeakPolarHBondContact O-CB 3.41Å; I145-F148 PolarHBondContact O-N 3.42Å; I145-F148 VanDerWaalsContact O-N 3.09Å; A146-F148 VanDerWaalsContact C-N 3.26Å; A146-F148 PolarHBondContact O-N 3.39Å; F148-E150 PolarHBondContact O-N 3.27Å; F148-E150 VanDerWaalsContact O-N 3.11Å; F148-V151 WeakPolarHBondContact O-CB 3.37Å; F148-V151 WeakPolarHBondContact O-CG2 3.27Å; F148-V151 PolarHBondContact O-N 3.43Å; F148-V151 VanDerWaalsContact O-N 3.08Å; F148-F187 HydrophobicContact CB-CD1 4.41Å; F148-T191 HydrophobicContact CB-CG2 3.64Å; F148-T191 HydrophobicContact CD2-CG2 3.71Å; F148-T191 HydrophobicContact CG-CG2 4.17Å |
| 149 | V | 86.3 | Confident | 82.9 | Confident | 24 Ų | 24 | 17.7 Ų | 17.7 | 15% | 0.145 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -52 | -30.6 | 171.4 | 83.9 | 0 | 0 | 0 | 0 | 112.3 | A146 L147 V151 N152 S153 R188 | A146-V149 WeakPolarHBondContact O-CB 3.31Å; A146-V149 WeakPolarHBondContact O-CG1 3.46Å; A146-V149 PolarHBondContact O-N 2.93Å; L147-V149 PolarHBondContact O-N 2.86Å; L147-V149 VanDerWaalsContact O-N 3.11Å; V149-V151 VanDerWaalsContact C-N 3.28Å; V149-V151 PolarHBondContact O-N 2.88Å; V149-N152 PolarHBondContact O-N 3.27Å; V149-N152 VanDerWaalsContact O-N 3.16Å; V149-S153 PolarHBondContact O-N 3.5Å; V149-S153 VanDerWaalsContact O-N 3.14Å; V149-S153 PolarHBondContact O-OG 2.89Å; V149-R188 HydrophobicContact CB-CG 4.47Å; V149-R188 HydrophobicContact CG2-CB 4.46Å; V149-R188 HydrophobicContact CG2-CG 3.28Å |
| 150 | E | 85.5 | Confident | 83 | Confident | 8 Ų | 8 | 18.2 Ų | 18.2 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.2 | -27.6 | -178 | -65.5 | -60 | 147.8 | 0 | 0 | 112.7 | S59 L147 F148 N152 S153 V154 | S59-E150 VanDerWaalsContact CB-OE2 3.28Å; S59-E150 WeakPolarHBondContact CB-OE2 3.48Å; S59-E150 PolarHBondContact OG-OE2 2.91Å; L147-E150 HydrophobicContact CD2-CG 4.02Å; L147-E150 VanDerWaalsContact O-CB 3.24Å; L147-E150 WeakPolarHBondContact O-CB 3.2Å; L147-E150 WeakPolarHBondContact O-CG 3.25Å; L147-E150 PolarHBondContact O-N 2.8Å; F148-E150 PolarHBondContact O-N 3.27Å; F148-E150 VanDerWaalsContact O-N 3.11Å; E150-N152 VanDerWaalsContact C-N 3.26Å; E150-N152 PolarHBondContact O-N 3Å; E150-S153 WeakPolarHBondContact O-CA 3.34Å; E150-S153 WeakPolarHBondContact O-CB 3.39Å; E150-S153 PolarHBondContact O-N 3.1Å; E150-S153 WeakPolarHBondContact OE2-CB 3.29Å; E150-V154 WeakPolarHBondContact O-CG2 3.36Å; E150-V154 PolarHBondContact O-N 2.9Å |
| 151 | V | 85.1 | Confident | 83 | Confident | 26 Ų | 26 | 19.2 Ų | 19.2 | 16% | 0.158 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 174 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | L67 F148 V149 F187 | L67-V151 HydrophobicContact CD1-CG2 3.84Å; L67-V151 HydrophobicContact CD2-CG2 4.44Å; L67-V151 HydrophobicContact CG-CG2 4.04Å; F148-V151 WeakPolarHBondContact O-CB 3.37Å; F148-V151 WeakPolarHBondContact O-CG2 3.27Å; F148-V151 PolarHBondContact O-N 3.43Å; F148-V151 VanDerWaalsContact O-N 3.08Å; V149-V151 VanDerWaalsContact C-N 3.28Å; V149-V151 PolarHBondContact O-N 2.88Å; V151-F187 HydrophobicContact CB-CB 4.44Å; V151-F187 HydrophobicContact CB-CD1 4.4Å; V151-F187 HydrophobicContact CB-CD2 4.39Å; V151-F187 HydrophobicContact CB-CG 4.17Å; V151-F187 HydrophobicContact CG1-CD2 3.96Å; V151-F187 HydrophobicContact CG1-CE2 4.05Å; V151-F187 HydrophobicContact CG1-CG 4.22Å; V151-F187 HydrophobicContact CG1-CZ 4.39Å; V151-F187 HydrophobicContact CG2-CD1 4.5Å |
| 152 | N | 88.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71 | -40.6 | 172.7 | 172.9 | -111.9 | 0 | 0 | 0 | 111.4 | V149 E150 V154 T155 L156 N180 T183 Y184 R188 | V149-N152 PolarHBondContact O-N 3.27Å; V149-N152 VanDerWaalsContact O-N 3.16Å; E150-N152 VanDerWaalsContact C-N 3.26Å; E150-N152 PolarHBondContact O-N 3Å; N152-V154 PolarHBondContact O-N 3.31Å; N152-T155 PolarHBondContact O-N 3.46Å; N152-T155 PolarHBondContact O-OG1 3.41Å; N152-L156 PolarHBondContact O-N 3.06Å; N152-N180 PolarHBondContact ND2-O 2.75Å; N152-N180 VanDerWaalsContact ND2-O 3.13Å; N152-N180 PolarHBondContact ND2-OD1 3.45Å; N152-T183 PolarHBondContact ND2-OG1 3.3Å; N152-Y184 WeakPolarHBondContact ND2-CA 3.22Å; N152-Y184 PolarHBondContact ND2-N 2.97Å; N152-Y184 VanDerWaalsContact ND2-N 3.19Å; N152-Y184 WeakPolarHBondContact OD1-CD2 3.32Å; N152-R188 HydrophobicContact CB-CB 4.49Å; N152-R188 HydrophobicContact CB-CG 4.37Å; N152-R188 WeakPolarHBondContact OD1-CD 3.46Å; N152-R188 PolarHBondContact OD1-NH1 3.33Å |
| 153 | S | 84.7 | Confident | 82.6 | Confident | 10 Ų | 10 | 22.6 Ų | 22.6 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.3 | -35.3 | 178.4 | -60 | 0 | 0 | 0 | 0 | 112.9 | S59 V149 E150 T155 L156 H157 | S59-S153 WeakPolarHBondContact OG-CB 3.47Å; V149-S153 PolarHBondContact O-N 3.5Å; V149-S153 VanDerWaalsContact O-N 3.14Å; V149-S153 PolarHBondContact O-OG 2.89Å; E150-S153 WeakPolarHBondContact O-CA 3.34Å; E150-S153 WeakPolarHBondContact O-CB 3.39Å; E150-S153 PolarHBondContact O-N 3.1Å; E150-S153 WeakPolarHBondContact OE2-CB 3.29Å; S153-T155 PolarHBondContact O-N 3.01Å; S153-L156 PolarHBondContact O-N 3.11Å; S153-H157 WeakPolarHBondContact O-CB 3.4Å; S153-H157 PolarHBondContact O-CD2 3.36Å; S153-H157 PolarHBondContact O-N 2.82Å |
| 154 | V | 83.3 | Confident | 82 | Confident | 31 Ų | 31 | 23 Ų | 23 | 19% | 0.188 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.4 | -51.9 | 173.1 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | S59 V60 E150 N152 L156 H157 L158 | S59-V154 VanDerWaalsContact C-CG2 3.49Å; V60-V154 HydrophobicContact CB-CG2 4.34Å; V60-V154 HydrophobicContact CG2-CB 4.36Å; V60-V154 HydrophobicContact CG2-CG1 3.72Å; V60-V154 HydrophobicContact CG2-CG2 3.63Å; E150-V154 WeakPolarHBondContact O-CG2 3.36Å; E150-V154 PolarHBondContact O-N 2.9Å; N152-V154 PolarHBondContact O-N 3.31Å; V154-L156 VanDerWaalsContact C-N 3.33Å; V154-L156 PolarHBondContact O-N 3.29Å; V154-H157 PolarHBondContact O-N 2.98Å; V154-L158 WeakPolarHBondContact O-CB 3.15Å; V154-L158 PolarHBondContact O-N 2.96Å |
| 155 | T | 81.1 | Confident | 81.3 | Confident | 16 Ų | 16 | 24.5 Ų | 24.5 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.8 | -32.9 | -177.5 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | N152 S153 R159 N176 V179 N180 T183 | N152-T155 PolarHBondContact O-N 3.46Å; N152-T155 PolarHBondContact O-OG1 3.41Å; S153-T155 PolarHBondContact O-N 3.01Å; T155-R159 WeakPolarHBondContact O-CB 3.22Å; T155-R159 PolarHBondContact O-N 3.11Å; T155-N176 PolarHBondContact O-ND2 2.91Å; T155-V179 HydrophobicContact CG2-CG1 3.9Å; T155-N180 WeakPolarHBondContact OG1-CA 3.36Å; T155-N180 PolarHBondContact OG1-OD1 2.85Å; T155-T183 PolarHBondContact OG1-OG1 3.46Å |
| 156 | L | 83.1 | Confident | 80.8 | Confident | 48 Ų | 48 | 29.7 Ų | 29.7 | 25% | 0.251 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67 | -46.6 | 174 | -172.2 | 73.7 | 0 | 0 | 0 | 111.9 | N152 S153 V154 R159 L160 N180 | N152-L156 PolarHBondContact O-N 3.06Å; S153-L156 PolarHBondContact O-N 3.11Å; V154-L156 VanDerWaalsContact C-N 3.33Å; V154-L156 PolarHBondContact O-N 3.29Å; L156-R159 WeakPolarHBondContact O-CB 3.45Å; L156-R159 PolarHBondContact O-N 3.39Å; L156-L160 PolarHBondContact O-N 3.36Å; L156-N180 PolarHBondContact N-OD1 2.96Å |
| 157 | H | 83.1 | Confident | 80 | Confident | 30 Ų | 30 | 29.9 Ų | 29.9 | 14% | 0.139 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 178 | -68.9 | -45.2 | 0 | 0 | 0 | 110.9 | L52 M56 S153 V154 R159 L160 M161 | L52-H157 HydrophobicContact CD1-CB 3.83Å; L52-H157 WeakPolarHBondContact CD1-ND1 3.49Å; L52-H157 HydrophobicContact CG-CB 4.35Å; M56-H157 HydrophobicContact CB-CB 4.11Å; M56-H157 HydrophobicContact CG-CB 4.45Å; S153-H157 WeakPolarHBondContact O-CB 3.4Å; S153-H157 PolarHBondContact O-CD2 3.36Å; S153-H157 PolarHBondContact O-N 2.82Å; V154-H157 PolarHBondContact O-N 2.98Å; H157-R159 VanDerWaalsContact C-N 3.31Å; H157-R159 PolarHBondContact O-N 3.14Å; H157-L160 PolarHBondContact O-N 3.15Å; H157-L160 VanDerWaalsContact O-N 3.16Å; H157-M161 WeakPolarHBondContact O-CG 3.42Å; H157-M161 PolarHBondContact O-N 3.31Å |
| 158 | L | 79.3 | Confident | 79.1 | Confident | 63 Ų | 63 | 33.9 Ų | 33.9 | 33% | 0.33 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 173.3 | -178.2 | 59.4 | 0 | 0 | 0 | 111.9 | M56 V154 L160 M161 L162 | M56-L158 HydrophobicContact CE-CB 4.26Å; M56-L158 HydrophobicContact CE-CD1 4.2Å; V154-L158 WeakPolarHBondContact O-CB 3.15Å; V154-L158 PolarHBondContact O-N 2.96Å; L158-L160 PolarHBondContact O-N 3.11Å; L158-M161 PolarHBondContact O-N 3.34Å; L158-L162 HydrophobicContact CD1-CD1 4.49Å; L158-L162 HydrophobicContact CG-CD1 4.27Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 2.83Å |
| 159 | R | 81.3 | Confident | 77.9 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.6 | 179.5 | 177.5 | 163.5 | -93.1 | 2.4 | 111.2 | T155 L156 H157 L162 K163 Y173 N176 L230 T233 D234 | T155-R159 WeakPolarHBondContact O-CB 3.22Å; T155-R159 PolarHBondContact O-N 3.11Å; L156-R159 WeakPolarHBondContact O-CB 3.45Å; L156-R159 PolarHBondContact O-N 3.39Å; H157-R159 VanDerWaalsContact C-N 3.31Å; H157-R159 PolarHBondContact O-N 3.14Å; R159-L162 PolarHBondContact O-N 3.13Å; R159-K163 WeakPolarHBondContact O-CB 3.42Å; R159-K163 PolarHBondContact O-N 3.35Å; R159-Y173 HydrophobicContact CG-CE2 3.82Å; R159-N176 VanDerWaalsContact CA-ND2 3.34Å; R159-N176 WeakPolarHBondContact CA-ND2 3.43Å; R159-N176 WeakPolarHBondContact CB-ND2 3.46Å; R159-N176 PolarHBondContact N-ND2 3.09Å; R159-N176 VanDerWaalsContact N-ND2 3.12Å; R159-L230 VanDerWaalsContact NH1-CD1 3.31Å; R159-T233 PolarHBondContact NH2-OG1 3.3Å; R159-D234 IonicContact CZ-OD1 2.87Å; R159-D234 IonicContact CZ-OD2 3.1Å; R159-D234 IonicContact NE-OD1 3.43Å; R159-D234 PolarHBondContact NE-OD1 3.14Å; R159-D234 IonicContact NE-OD2 3.54Å; R159-D234 PolarHBondContact NE-OD2 3.16Å; R159-D234 VanDerWaalsContact NH2-CG 3.28Å; R159-D234 IonicContact NH2-OD1 3.68Å; R159-D234 PolarHBondContact NH2-OD1 2.84Å; R159-D234 IonicContact NH2-OD2 3.38Å; R159-D234 PolarHBondContact NH2-OD2 3.06Å |
| 160 | L | 77.6 | Confident | 77.3 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 18% | 0.183 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.1 | -36.4 | -178.6 | -176.7 | 61.7 | 0 | 0 | 0 | 111.6 | L52 L156 H157 L158 K163 L164 | L52-L160 HydrophobicContact CD1-CB 4.49Å; L52-L160 HydrophobicContact CD1-CD2 3.87Å; L52-L160 HydrophobicContact CD1-CG 4.5Å; L52-L160 HydrophobicContact CD2-CB 3.75Å; L52-L160 HydrophobicContact CD2-CD2 3.77Å; L52-L160 HydrophobicContact CD2-CG 3.59Å; L156-L160 PolarHBondContact O-N 3.36Å; H157-L160 PolarHBondContact O-N 3.15Å; H157-L160 VanDerWaalsContact O-N 3.16Å; L158-L160 PolarHBondContact O-N 3.11Å; L160-K163 HydrophobicContact CD1-CD 4.46Å; L160-K163 PolarHBondContact O-N 3.08Å; L160-L164 HydrophobicContact CG-CD1 4.45Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 2.91Å |
| 161 | M | 76 | Confident | 76.8 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 171.2 | -70.3 | -179.9 | 76.7 | 0 | 0 | 110.7 | W49 L52 S53 M56 H157 L158 K163 L164 A165 | W49-M161 HydrophobicContact CD2-CE 4.08Å; W49-M161 HydrophobicContact CE3-CB 4.4Å; W49-M161 HydrophobicContact CE3-CE 4.37Å; W49-M161 HydrophobicContact CE3-CG 4.46Å; W49-M161 HydrophobicContact CH2-CB 4.05Å; W49-M161 HydrophobicContact CH2-CE 3.63Å; W49-M161 HydrophobicContact CZ2-CE 3.26Å; W49-M161 HydrophobicContact CZ3-CB 3.81Å; W49-M161 HydrophobicContact CZ3-CE 4.17Å; W49-M161 HydrophobicContact CZ3-CG 4.29Å; W49-M161 WeakPolarHBondContact CZ3-O 3.08Å; L52-M161 HydrophobicContact CB-CG 4.47Å; L52-M161 HydrophobicContact CD2-CB 4.26Å; L52-M161 HydrophobicContact CD2-CG 3.34Å; L52-M161 HydrophobicContact CG-CG 3.72Å; L52-M161 HydrophobicContact CG-SD 4.43Å; S53-M161 WeakPolarHBondContact OG-CE 3.48Å; M56-M161 HydrophobicContact SD-SD 3.71Å; H157-M161 WeakPolarHBondContact O-CG 3.42Å; H157-M161 PolarHBondContact O-N 3.31Å; L158-M161 PolarHBondContact O-N 3.34Å; M161-K163 VanDerWaalsContact C-N 3.31Å; M161-K163 PolarHBondContact O-N 3.15Å; M161-L164 CarbonylContact O-C 3.56Å; M161-L164 PolarHBondContact O-N 3.27Å; M161-L164 VanDerWaalsContact O-N 3.08Å; M161-A165 WeakPolarHBondContact O-CB 3.31Å; M161-A165 PolarHBondContact O-N 2.95Å |
| 162 | L | 75.8 | Confident | 76.4 | Confident | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 177 | -69.9 | 169.3 | 0 | 0 | 0 | 112.6 | L158 R159 A165 N166 A167 Y173 | L158-L162 HydrophobicContact CD1-CD1 4.49Å; L158-L162 HydrophobicContact CG-CD1 4.27Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 2.83Å; R159-L162 PolarHBondContact O-N 3.13Å; L162-A165 PolarHBondContact O-N 3.22Å; L162-N166 PolarHBondContact O-N 3.19Å; L162-A167 HydrophobicContact CD2-CB 4.26Å; L162-A167 PolarHBondContact O-N 2.8Å; L162-Y173 HydrophobicContact CB-CD2 4.12Å |
| 163 | K | 75.4 | Confident | 75.9 | Confident | 48 Ų | 48 | 49.1 Ų | 49.1 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 173 | -175.3 | 176.6 | 179.1 | -168.5 | 0 | 111.2 | R159 L160 M161 N166 D259 | R159-K163 WeakPolarHBondContact O-CB 3.42Å; R159-K163 PolarHBondContact O-N 3.35Å; L160-K163 HydrophobicContact CD1-CD 4.46Å; L160-K163 PolarHBondContact O-N 3.08Å; M161-K163 VanDerWaalsContact C-N 3.31Å; M161-K163 PolarHBondContact O-N 3.15Å; K163-N166 PolarHBondContact O-N 3.2Å; K163-D259 IonicContact NZ-OD1 3.64Å; K163-D259 PolarHBondContact NZ-OD1 3.34Å |
| 164 | L | 69.8 | Low | 75.5 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69 | -31.2 | 176.3 | -72.5 | 171.9 | 0 | 0 | 0 | 113 | R45 K48 W49 L52 L160 M161 N166 | R45-L164 PolarHBondContact NH2-O 2.76Å; K48-L164 HydrophobicContact CD-CD1 4.13Å; K48-L164 HydrophobicContact CD-CD2 4.32Å; K48-L164 HydrophobicContact CG-CD1 4Å; W49-L164 HydrophobicContact CE3-CB 4.22Å; W49-L164 HydrophobicContact CZ3-CB 4.47Å; L52-L164 HydrophobicContact CD2-CD1 4.02Å; L160-L164 HydrophobicContact CG-CD1 4.45Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 2.91Å; M161-L164 CarbonylContact O-C 3.56Å; M161-L164 PolarHBondContact O-N 3.27Å; M161-L164 VanDerWaalsContact O-N 3.08Å; L164-N166 PolarHBondContact O-N 3.03Å |
| 165 | A | 70.7 | Confident | 75.5 | Confident | 32 Ų | 32 | 57 Ų | 57 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 0.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W49 M161 L162 A167 | W49-A165 HydrophobicContact CH2-CB 4.47Å; W49-A165 HydrophobicContact CZ3-CB 4.15Å; M161-A165 WeakPolarHBondContact O-CB 3.31Å; M161-A165 PolarHBondContact O-N 2.95Å; L162-A165 PolarHBondContact O-N 3.22Å; A165-A167 HydrophobicContact CB-CB 4.48Å; A165-A167 PolarHBondContact O-N 3.44Å |
| 166 | N | 71.4 | Confident | 75.6 | Confident | 113 Ų | 113 | 56.9 Ų | 56.9 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 23.9 | -175.7 | -152.7 | 43.4 | 0 | 0 | 0 | 114 | L162 K163 L164 Q168 | L162-N166 PolarHBondContact O-N 3.19Å; K163-N166 PolarHBondContact O-N 3.2Å; L164-N166 PolarHBondContact O-N 3.03Å; N166-Q168 VanDerWaalsContact C-N 3.26Å; N166-Q168 PolarHBondContact O-N 3.21Å |
| 167 | A | 70.9 | Confident | 75.5 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 26% | 0.256 | 31% | 0.31 | S | S | . | . | trans | -91.6 | 33.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L162 A165 S169 S170 | L162-A167 HydrophobicContact CD2-CB 4.26Å; L162-A167 PolarHBondContact O-N 2.8Å; A165-A167 HydrophobicContact CB-CB 4.48Å; A165-A167 PolarHBondContact O-N 3.44Å; A167-S169 VanDerWaalsContact C-N 3.25Å; A167-S169 PolarHBondContact O-N 3.37Å; A167-S170 WeakPolarHBondContact O-CB 3.33Å; A167-S170 PolarHBondContact O-N 2.88Å; A167-S170 PolarHBondContact O-OG 3.24Å | ||
| 168 | Q | 66.3 | Low | 75.5 | Confident | 87 Ų | 87 | 61 Ų | 61 | 41% | 0.407 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.1 | -172.5 | -63.2 | -174.8 | -46.5 | 0 | 0 | 113.8 | N166 S170 Y173 | N166-Q168 VanDerWaalsContact C-N 3.26Å; N166-Q168 PolarHBondContact O-N 3.21Å; Q168-S170 VanDerWaalsContact C-N 3.34Å; Q168-Y173 WeakPolarHBondContact O-CD1 3.19Å |
| 169 | S | 61.7 | Low | 75.8 | Confident | 112 Ų | 112 | 60.8 Ų | 60.8 | 78% | 0.783 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -2.3 | 177.7 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | A167 | A167-S169 VanDerWaalsContact C-N 3.25Å; A167-S169 PolarHBondContact O-N 3.37Å |
| 170 | S | 74 | Confident | 76.1 | Confident | 36 Ų | 36 | 60 Ų | 60 | 25% | 0.252 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -76.8 | 144.7 | -178 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | A167 Q168 M172 Y173 | A167-S170 WeakPolarHBondContact O-CB 3.33Å; A167-S170 PolarHBondContact O-N 2.88Å; A167-S170 PolarHBondContact O-OG 3.24Å; Q168-S170 VanDerWaalsContact C-N 3.34Å; S170-M172 PolarHBondContact O-N 3.38Å; S170-Y173 WeakPolarHBondContact O-CB 3.39Å; S170-Y173 PolarHBondContact O-N 2.91Å; S170-Y173 PolarHBondContact OG-N 3.32Å |
| 171 | S | 73.6 | Confident | 76.5 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 61% | 0.608 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -55.4 | -33.5 | 172.4 | -177 | 0 | 0 | 0 | 0 | 112.1 | Y173 H174 I175 | S171-Y173 VanDerWaalsContact C-N 3.29Å; S171-Y173 PolarHBondContact O-N 2.7Å; S171-H174 PolarHBondContact O-N 2.9Å; S171-I175 WeakPolarHBondContact O-CG1 3.44Å; S171-I175 PolarHBondContact O-N 3.32Å |
| 172 | M | 76.3 | Confident | 77 | Confident | 142 Ų | 142 | 66 Ų | 66 | 70% | 0.7 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.4 | -34.3 | 175.3 | -60 | -156.9 | 96.2 | 0 | 0 | 113.1 | S170 N176 | S170-M172 PolarHBondContact O-N 3.38Å; M172-N176 WeakPolarHBondContact O-CB 3.36Å; M172-N176 PolarHBondContact O-N 3.36Å |
| 173 | Y | 78.1 | Confident | 77.5 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 9% | 0.086 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 175.8 | -177.1 | -96.6 | 0 | 0 | 0 | 111.7 | R159 L162 Q168 S170 S171 N176 K177 D234 | R159-Y173 HydrophobicContact CG-CE2 3.82Å; L162-Y173 HydrophobicContact CB-CD2 4.12Å; Q168-Y173 WeakPolarHBondContact O-CD1 3.19Å; S170-Y173 WeakPolarHBondContact O-CB 3.39Å; S170-Y173 PolarHBondContact O-N 2.91Å; S170-Y173 PolarHBondContact OG-N 3.32Å; S171-Y173 VanDerWaalsContact C-N 3.29Å; S171-Y173 PolarHBondContact O-N 2.7Å; Y173-N176 PolarHBondContact O-N 2.94Å; Y173-K177 WeakPolarHBondContact O-CB 3.3Å; Y173-K177 PolarHBondContact O-N 3.31Å; Y173-D234 PolarHBondContact OH-OD1 3.22Å |
| 174 | H | 77.4 | Confident | 78.1 | Confident | 107 Ų | 107 | 63 Ų | 63 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 178.7 | -70.8 | -71.2 | 0 | 0 | 0 | 112.6 | S171 K177 I178 | S171-H174 PolarHBondContact O-N 2.9Å; H174-K177 WeakPolarHBondContact O-CB 3.18Å; H174-K177 PolarHBondContact O-N 3.38Å; H174-I178 PolarHBondContact O-N 2.89Å |
| 175 | I | 83.1 | Confident | 78.9 | Confident | 101 Ų | 101 | 65.5 Ų | 65.5 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 175.2 | -65 | 165.7 | 0 | 0 | 0 | 109.6 | S171 K177 I178 V179 | S171-I175 WeakPolarHBondContact O-CG1 3.44Å; S171-I175 PolarHBondContact O-N 3.32Å; I175-K177 VanDerWaalsContact C-N 3.26Å; I175-K177 PolarHBondContact O-N 3.09Å; I175-I178 PolarHBondContact O-N 2.9Å; I175-I178 VanDerWaalsContact O-N 3.11Å; I175-V179 HydrophobicContact CG2-CG2 4.19Å; I175-V179 WeakPolarHBondContact O-CG2 3.28Å; I175-V179 PolarHBondContact O-N 3.5Å |
| 176 | N | 83.7 | Confident | 79.7 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.2 | -32.2 | -179.7 | -169.4 | 51.9 | 0 | 0 | 0 | 112.5 | T155 R159 M172 Y173 N180 | T155-N176 PolarHBondContact O-ND2 2.91Å; R159-N176 VanDerWaalsContact CA-ND2 3.34Å; R159-N176 WeakPolarHBondContact CA-ND2 3.43Å; R159-N176 WeakPolarHBondContact CB-ND2 3.46Å; R159-N176 PolarHBondContact N-ND2 3.09Å; R159-N176 VanDerWaalsContact N-ND2 3.12Å; M172-N176 WeakPolarHBondContact O-CB 3.36Å; M172-N176 PolarHBondContact O-N 3.36Å; Y173-N176 PolarHBondContact O-N 2.94Å; N176-N180 WeakPolarHBondContact O-CB 3.36Å; N176-N180 PolarHBondContact O-N 3.36Å |
| 177 | K | 80.6 | Confident | 80.4 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 172.7 | 173.9 | 179.8 | 160.1 | 177.3 | 0 | 111.8 | Y173 H174 I175 L181 D234 | Y173-K177 WeakPolarHBondContact O-CB 3.3Å; Y173-K177 PolarHBondContact O-N 3.31Å; H174-K177 WeakPolarHBondContact O-CB 3.18Å; H174-K177 PolarHBondContact O-N 3.38Å; I175-K177 VanDerWaalsContact C-N 3.26Å; I175-K177 PolarHBondContact O-N 3.09Å; K177-L181 PolarHBondContact O-N 3.49Å; K177-D234 HydrophobicContact CD-CB 4.03Å; K177-D234 PolarHBondContact NZ-O 2.69Å |
| 178 | I | 83.6 | Confident | 81.1 | Confident | 124 Ų | 124 | 66.5 Ų | 66.5 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.3 | -46.3 | 179.7 | -63.3 | 172.4 | 0 | 0 | 0 | 110.3 | H174 I175 N180 L181 F182 | H174-I178 PolarHBondContact O-N 2.89Å; I175-I178 PolarHBondContact O-N 2.9Å; I175-I178 VanDerWaalsContact O-N 3.11Å; I178-N180 VanDerWaalsContact C-N 3.33Å; I178-N180 PolarHBondContact O-N 2.88Å; I178-L181 PolarHBondContact O-N 2.88Å; I178-F182 PolarHBondContact O-N 3.41Å |
| 179 | V | 85.6 | Confident | 82.1 | Confident | 60 Ų | 60 | 65 Ų | 65 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | T155 I175 F182 T183 | T155-V179 HydrophobicContact CG2-CG1 3.9Å; I175-V179 HydrophobicContact CG2-CG2 4.19Å; I175-V179 WeakPolarHBondContact O-CG2 3.28Å; I175-V179 PolarHBondContact O-N 3.5Å; V179-F182 PolarHBondContact O-N 3.31Å; V179-T183 HydrophobicContact CG1-CG2 4.17Å; V179-T183 WeakPolarHBondContact O-CB 3.29Å; V179-T183 VanDerWaalsContact O-CG2 3.31Å; V179-T183 WeakPolarHBondContact O-CG2 3.46Å; V179-T183 PolarHBondContact O-N 3.49Å; V179-T183 PolarHBondContact O-OG1 2.88Å |
| 180 | N | 87.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.3 | 177.3 | 67.4 | 0 | 0 | 0 | 111.4 | N152 T155 L156 N176 I178 T183 Y184 L230 | N152-N180 PolarHBondContact ND2-O 2.75Å; N152-N180 VanDerWaalsContact ND2-O 3.13Å; N152-N180 PolarHBondContact ND2-OD1 3.45Å; T155-N180 WeakPolarHBondContact OG1-CA 3.36Å; T155-N180 PolarHBondContact OG1-OD1 2.85Å; L156-N180 PolarHBondContact N-OD1 2.96Å; N176-N180 WeakPolarHBondContact O-CB 3.36Å; N176-N180 PolarHBondContact O-N 3.36Å; I178-N180 VanDerWaalsContact C-N 3.33Å; I178-N180 PolarHBondContact O-N 2.88Å; N180-T183 WeakPolarHBondContact CA-OG1 3.39Å; N180-T183 PolarHBondContact O-OG1 3.16Å; N180-Y184 WeakPolarHBondContact O-CB 3.42Å; N180-Y184 PolarHBondContact O-N 3.32Å; N180-L230 WeakPolarHBondContact ND2-CD2 3.4Å |
| 181 | L | 85.4 | Confident | 83.9 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 27% | 0.272 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 176.3 | -178.3 | 62.5 | 0 | 0 | 0 | 111.8 | K177 I178 Y184 V185 F227 L231 F235 | K177-L181 PolarHBondContact O-N 3.49Å; I178-L181 PolarHBondContact O-N 2.88Å; L181-Y184 WeakPolarHBondContact O-CB 3.43Å; L181-Y184 PolarHBondContact O-N 2.92Å; L181-V185 PolarHBondContact O-N 3.03Å; L181-F227 HydrophobicContact CD1-CE2 3.74Å; L181-F227 HydrophobicContact CD1-CZ 4.15Å; L181-L231 HydrophobicContact CD1-CD2 4.22Å; L181-F235 HydrophobicContact CD2-CE2 4.34Å; L181-F235 HydrophobicContact CD2-CZ 4.08Å |
| 182 | F | 87.4 | Confident | 84.5 | Confident | 130 Ų | 130 | 56.9 Ų | 56.9 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.1 | -51.5 | 179.3 | 176.2 | -100.3 | 0 | 0 | 0 | 112 | I178 V179 Y184 V185 M186 | I178-F182 PolarHBondContact O-N 3.41Å; V179-F182 PolarHBondContact O-N 3.31Å; F182-Y184 PolarHBondContact O-N 3.4Å; F182-V185 PolarHBondContact O-N 3.39Å; F182-M186 HydrophobicContact CD2-CG 4.39Å; F182-M186 HydrophobicContact CE1-CG 4.17Å; F182-M186 HydrophobicContact CE2-CG 3.94Å; F182-M186 HydrophobicContact CZ-CG 3.82Å; F182-M186 PolarHBondContact O-N 3.27Å; F182-M186 VanDerWaalsContact O-N 3.09Å |
| 183 | T | 86.4 | Confident | 85.1 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 9% | 0.086 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -31.2 | 178.9 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | N152 T155 V179 N180 F187 | N152-T183 PolarHBondContact ND2-OG1 3.3Å; T155-T183 PolarHBondContact OG1-OG1 3.46Å; V179-T183 HydrophobicContact CG1-CG2 4.17Å; V179-T183 WeakPolarHBondContact O-CB 3.29Å; V179-T183 VanDerWaalsContact O-CG2 3.31Å; V179-T183 WeakPolarHBondContact O-CG2 3.46Å; V179-T183 PolarHBondContact O-N 3.49Å; V179-T183 PolarHBondContact O-OG1 2.88Å; N180-T183 WeakPolarHBondContact CA-OG1 3.39Å; N180-T183 PolarHBondContact O-OG1 3.16Å; T183-F187 HydrophobicContact CG2-CD2 4.29Å; T183-F187 WeakPolarHBondContact O-CB 3.3Å; T183-F187 PolarHBondContact O-N 2.93Å |
| 184 | Y | 86.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -63 | -45.3 | 175.5 | -166.2 | -80.2 | 0 | 0 | 0 | 111.7 | N152 N180 L181 F182 R188 L189 M223 F227 | N152-Y184 WeakPolarHBondContact ND2-CA 3.22Å; N152-Y184 PolarHBondContact ND2-N 2.97Å; N152-Y184 VanDerWaalsContact ND2-N 3.19Å; N152-Y184 WeakPolarHBondContact OD1-CD2 3.32Å; N180-Y184 WeakPolarHBondContact O-CB 3.42Å; N180-Y184 PolarHBondContact O-N 3.32Å; L181-Y184 WeakPolarHBondContact O-CB 3.43Å; L181-Y184 PolarHBondContact O-N 2.92Å; F182-Y184 PolarHBondContact O-N 3.4Å; Y184-R188 HydrophobicContact CD1-CB 4.41Å; Y184-R188 HydrophobicContact CD2-CB 4.45Å; Y184-R188 VanDerWaalsContact CD2-CD 3.45Å; Y184-R188 HydrophobicContact CE2-CG 4.48Å; Y184-R188 HydrophobicContact CG-CB 4.29Å; Y184-R188 WeakPolarHBondContact O-CA 3.33Å; Y184-R188 WeakPolarHBondContact O-CB 3.36Å; Y184-R188 PolarHBondContact O-N 3.47Å; Y184-L189 HydrophobicContact CD1-CD1 4.28Å; Y184-L189 HydrophobicContact CD1-CG 4.11Å; Y184-L189 HydrophobicContact CE1-CD1 4.28Å; Y184-L189 HydrophobicContact CE1-CD2 4.12Å; Y184-L189 HydrophobicContact CE1-CG 3.96Å; Y184-L189 PolarHBondContact O-N 3.36Å; Y184-M223 VanDerWaalsContact OH-CG 3.28Å; Y184-M223 WeakPolarHBondContact OH-CG 3.48Å; Y184-M223 PolarHBondContact OH-O 2.65Å; Y184-F227 AromaticContact CD1-CD2 3.43Å; Y184-F227 HydrophobicContact CD1-CD2 3.43Å; Y184-F227 VanDerWaalsContact CD1-CD2 3.43Å; Y184-F227 AromaticContact CD1-CE2 3.79Å; Y184-F227 HydrophobicContact CD1-CE2 3.79Å; Y184-F227 HydrophobicContact CD1-CG 4.26Å; Y184-F227 HydrophobicContact CE1-CB 3.68Å; Y184-F227 AromaticContact CE1-CD2 3.26Å; Y184-F227 HydrophobicContact CE1-CD2 3.26Å; Y184-F227 HydrophobicContact CE1-CE2 4.06Å; Y184-F227 AromaticContact CE1-CG 3.67Å; Y184-F227 HydrophobicContact CE1-CG 3.67Å; Y184-F227 HydrophobicContact CG-CD2 4.17Å; Y184-F227 HydrophobicContact CG-CE2 4.48Å; Y184-F227 AromaticContact CZ-CD2 3.86Å |
| 185 | V | 87.1 | Confident | 86 | Confident | 69 Ų | 69 | 55 Ų | 55 | 42% | 0.418 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -67.9 | -47.8 | 179.4 | 176 | 0 | 0 | 0 | 0 | 110.5 | L181 F182 L189 G190 | L181-V185 PolarHBondContact O-N 3.03Å; F182-V185 PolarHBondContact O-N 3.39Å; V185-L189 HydrophobicContact CG2-CD1 4.48Å; V185-L189 WeakPolarHBondContact O-CB 3.09Å; V185-L189 PolarHBondContact O-N 3.47Å; V185-G190 PolarHBondContact O-N 3.35Å |
| 186 | M | 87.3 | Confident | 86.2 | Confident | 109 Ų | 109 | 51.2 Ų | 51.2 | 54% | 0.537 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -73.1 | -56.2 | -173.8 | -65.6 | -59.4 | -68.4 | 0 | 0 | 113.2 | F182 | F182-M186 HydrophobicContact CD2-CG 4.39Å; F182-M186 HydrophobicContact CE1-CG 4.17Å; F182-M186 HydrophobicContact CE2-CG 3.94Å; F182-M186 HydrophobicContact CZ-CG 3.82Å; F182-M186 PolarHBondContact O-N 3.27Å; F182-M186 VanDerWaalsContact O-N 3.09Å |
| 187 | F | 85.4 | Confident | 86.4 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 25% | 0.25 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -91.7 | -16.5 | -170.8 | -69 | -75.3 | 0 | 0 | 0 | 113.8 | L67 F148 V151 T183 T191 | L67-F187 HydrophobicContact CD2-CE1 3.9Å; F148-F187 HydrophobicContact CB-CD1 4.41Å; V151-F187 HydrophobicContact CB-CB 4.44Å; V151-F187 HydrophobicContact CB-CD1 4.4Å; V151-F187 HydrophobicContact CB-CD2 4.39Å; V151-F187 HydrophobicContact CB-CG 4.17Å; V151-F187 HydrophobicContact CG1-CD2 3.96Å; V151-F187 HydrophobicContact CG1-CE2 4.05Å; V151-F187 HydrophobicContact CG1-CG 4.22Å; V151-F187 HydrophobicContact CG1-CZ 4.39Å; V151-F187 HydrophobicContact CG2-CD1 4.5Å; T183-F187 HydrophobicContact CG2-CD2 4.29Å; T183-F187 WeakPolarHBondContact O-CB 3.3Å; T183-F187 PolarHBondContact O-N 2.93Å; F187-T191 WeakPolarHBondContact O-CB 3.46Å; F187-T191 VanDerWaalsContact O-CG2 3.25Å; F187-T191 WeakPolarHBondContact O-CG2 3.4Å; F187-T191 PolarHBondContact O-OG1 3.46Å |
| 188 | R | 86.8 | Confident | 86.6 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -101.9 | -66.3 | -179.3 | -126.2 | -158.4 | 164.1 | 101.5 | 1.8 | 109.8 | V149 N152 Y184 T191 Q192 M223 | V149-R188 HydrophobicContact CB-CG 4.47Å; V149-R188 HydrophobicContact CG2-CB 4.46Å; V149-R188 HydrophobicContact CG2-CG 3.28Å; N152-R188 HydrophobicContact CB-CB 4.49Å; N152-R188 HydrophobicContact CB-CG 4.37Å; N152-R188 WeakPolarHBondContact OD1-CD 3.46Å; N152-R188 PolarHBondContact OD1-NH1 3.33Å; Y184-R188 HydrophobicContact CD1-CB 4.41Å; Y184-R188 HydrophobicContact CD2-CB 4.45Å; Y184-R188 VanDerWaalsContact CD2-CD 3.45Å; Y184-R188 HydrophobicContact CE2-CG 4.48Å; Y184-R188 HydrophobicContact CG-CB 4.29Å; Y184-R188 WeakPolarHBondContact O-CA 3.33Å; Y184-R188 WeakPolarHBondContact O-CB 3.36Å; Y184-R188 PolarHBondContact O-N 3.47Å; R188-T191 PolarHBondContact O-OG1 3.4Å; R188-Q192 WeakPolarHBondContact O-CB 3.27Å; R188-Q192 PolarHBondContact O-N 3.2Å; R188-Q192 VanDerWaalsContact O-N 3.16Å; R188-M223 HydrophobicContact CB-CE 3.36Å; R188-M223 HydrophobicContact CG-CE 3.11Å; R188-M223 VanDerWaalsContact O-CE 3.28Å; R188-M223 WeakPolarHBondContact O-CE 3.23Å |
| 189 | L | 86.1 | Confident | 86.6 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 29% | 0.293 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -67 | -41.3 | -178.7 | -64.7 | 176.4 | 0 | 0 | 0 | 112.1 | Y184 V185 Q192 F193 M223 | Y184-L189 HydrophobicContact CD1-CD1 4.28Å; Y184-L189 HydrophobicContact CD1-CG 4.11Å; Y184-L189 HydrophobicContact CE1-CD1 4.28Å; Y184-L189 HydrophobicContact CE1-CD2 4.12Å; Y184-L189 HydrophobicContact CE1-CG 3.96Å; Y184-L189 PolarHBondContact O-N 3.36Å; V185-L189 HydrophobicContact CG2-CD1 4.48Å; V185-L189 WeakPolarHBondContact O-CB 3.09Å; V185-L189 PolarHBondContact O-N 3.47Å; L189-Q192 PolarHBondContact O-N 2.99Å; L189-F193 VanDerWaalsContact O-CB 3.24Å; L189-F193 WeakPolarHBondContact O-CB 3.33Å; L189-F193 PolarHBondContact O-N 3.03Å; L189-M223 HydrophobicContact CD2-CE 4.38Å; L189-M223 HydrophobicContact CD2-CG 4.19Å; L189-M223 HydrophobicContact CD2-SD 3.82Å |
| 190 | G | 86.6 | Confident | 86.6 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V185 F193 Y194 | V185-G190 PolarHBondContact O-N 3.35Å; G190-F193 PolarHBondContact O-N 3.34Å; G190-Y194 WeakPolarHBondContact O-CB 3.45Å; G190-Y194 PolarHBondContact O-N 2.92Å |
| 191 | T | 87.1 | Confident | 86.4 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 179.1 | 52 | 0 | 0 | 0 | 0 | 111 | I145 F148 F187 R188 F193 Y194 L195 | I145-T191 HydrophobicContact CG2-CG2 4.42Å; F148-T191 HydrophobicContact CB-CG2 3.64Å; F148-T191 HydrophobicContact CD2-CG2 3.71Å; F148-T191 HydrophobicContact CG-CG2 4.17Å; F187-T191 WeakPolarHBondContact O-CB 3.46Å; F187-T191 VanDerWaalsContact O-CG2 3.25Å; F187-T191 WeakPolarHBondContact O-CG2 3.4Å; F187-T191 PolarHBondContact O-OG1 3.46Å; R188-T191 PolarHBondContact O-OG1 3.4Å; T191-F193 VanDerWaalsContact C-N 3.34Å; T191-F193 PolarHBondContact O-N 2.99Å; T191-Y194 WeakPolarHBondContact O-CB 3.29Å; T191-Y194 PolarHBondContact O-N 3.46Å; T191-L195 WeakPolarHBondContact O-CD1 3.31Å; T191-L195 PolarHBondContact O-N 3.03Å |
| 192 | Q | 87.4 | Confident | 86.1 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 180 | -164.6 | 73 | 1.8 | 0 | 0 | 112.4 | R188 L189 T196 M216 N220 M223 | R188-Q192 WeakPolarHBondContact O-CB 3.27Å; R188-Q192 PolarHBondContact O-N 3.2Å; R188-Q192 VanDerWaalsContact O-N 3.16Å; L189-Q192 PolarHBondContact O-N 2.99Å; Q192-T196 VanDerWaalsContact O-CB 3.31Å; Q192-T196 WeakPolarHBondContact O-CB 3.49Å; Q192-T196 PolarHBondContact O-N 3Å; Q192-T196 PolarHBondContact O-OG1 3.4Å; Q192-M216 VanDerWaalsContact CD-CE 3.46Å; Q192-M216 HydrophobicContact CG-CE 4.19Å; Q192-N220 VanDerWaalsContact CD-OD1 3.25Å; Q192-N220 WeakPolarHBondContact CG-OD1 3.5Å; Q192-N220 PolarHBondContact NE2-OD1 3.4Å; Q192-M223 HydrophobicContact CB-CE 4.26Å; Q192-M223 HydrophobicContact CB-SD 3.99Å; Q192-M223 HydrophobicContact CG-SD 3.91Å |
| 193 | F | 88.4 | Confident | 85.5 | Confident | 147 Ų | 147 | 57.4 Ų | 57.4 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.8 | -47.9 | 172 | 177.1 | -97.5 | 0 | 0 | 0 | 111.3 | L189 G190 T191 T196 W197 | L189-F193 VanDerWaalsContact O-CB 3.24Å; L189-F193 WeakPolarHBondContact O-CB 3.33Å; L189-F193 PolarHBondContact O-N 3.03Å; G190-F193 PolarHBondContact O-N 3.34Å; T191-F193 VanDerWaalsContact C-N 3.34Å; T191-F193 PolarHBondContact O-N 2.99Å; F193-T196 PolarHBondContact O-N 3.34Å; F193-W197 WeakPolarHBondContact O-CB 3.46Å; F193-W197 PolarHBondContact O-N 3.32Å |
| 194 | Y | 87.5 | Confident | 84.8 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 26% | 0.263 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 179.3 | 174.1 | -93.3 | 0 | 0 | 0 | 112.5 | L77 I80 I145 G190 T191 T196 W197 Y198 | L77-Y194 PolarHBondContact O-OH 3.4Å; I80-Y194 HydrophobicContact CD1-CE1 3.7Å; I80-Y194 WeakPolarHBondContact CD1-OH 3.22Å; I145-Y194 HydrophobicContact CD1-CD1 4.43Å; I145-Y194 HydrophobicContact CD1-CE1 3.75Å; I145-Y194 HydrophobicContact CG2-CD1 4.17Å; G190-Y194 WeakPolarHBondContact O-CB 3.45Å; G190-Y194 PolarHBondContact O-N 2.92Å; T191-Y194 WeakPolarHBondContact O-CB 3.29Å; T191-Y194 PolarHBondContact O-N 3.46Å; Y194-T196 PolarHBondContact O-N 2.96Å; Y194-W197 PolarHBondContact O-N 2.92Å; Y194-Y198 WeakPolarHBondContact O-CB 3.25Å; Y194-Y198 PolarHBondContact O-N 3.07Å |
| 195 | L | 86.1 | Confident | 83.9 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 9% | 0.094 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.1 | -88.6 | 130.3 | 0 | 0 | 0 | 112.2 | I145 A146 T191 Y198 I199 M216 | I145-L195 HydrophobicContact CB-CD1 4.22Å; I145-L195 HydrophobicContact CG2-CD1 3.72Å; I145-L195 HydrophobicContact CG2-CG 4.38Å; A146-L195 HydrophobicContact CB-CD1 4.18Å; T191-L195 WeakPolarHBondContact O-CD1 3.31Å; T191-L195 PolarHBondContact O-N 3.03Å; L195-Y198 PolarHBondContact O-N 3.18Å; L195-I199 WeakPolarHBondContact O-CG1 2.89Å; L195-I199 PolarHBondContact O-N 3.21Å; L195-M216 HydrophobicContact CB-CE 3.62Å |
| 196 | T | 87.5 | Confident | 83.2 | Confident | 22 Ų | 22 | 69 Ų | 69 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 176.8 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | Q192 F193 Y194 Y198 I199 V200 M217 N220 | Q192-T196 VanDerWaalsContact O-CB 3.31Å; Q192-T196 WeakPolarHBondContact O-CB 3.49Å; Q192-T196 PolarHBondContact O-N 3Å; Q192-T196 PolarHBondContact O-OG1 3.4Å; F193-T196 PolarHBondContact O-N 3.34Å; Y194-T196 PolarHBondContact O-N 2.96Å; T196-Y198 VanDerWaalsContact C-N 3.31Å; T196-Y198 PolarHBondContact O-N 3.45Å; T196-I199 PolarHBondContact O-N 3.07Å; T196-V200 WeakPolarHBondContact O-CG2 3.4Å; T196-V200 PolarHBondContact O-N 3.01Å; T196-M217 HydrophobicContact CG2-CE 3.4Å; T196-M217 VanDerWaalsContact CG2-CE 3.4Å; T196-N220 PolarHBondContact OG1-ND2 2.94Å; T196-N220 VanDerWaalsContact OG1-ND2 3.15Å |
| 197 | W | 88.4 | Confident | 82.3 | Confident | 130 Ų | 130 | 68.7 Ų | 68.7 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 177.5 | 175.8 | 84.9 | 0 | 0 | 0 | 111.3 | F193 Y194 I199 V200 H201 | F193-W197 WeakPolarHBondContact O-CB 3.46Å; F193-W197 PolarHBondContact O-N 3.32Å; Y194-W197 PolarHBondContact O-N 2.92Å; W197-I199 PolarHBondContact O-N 3.39Å; W197-V200 PolarHBondContact O-N 3.17Å; W197-H201 VanDerWaalsContact O-CB 3.29Å; W197-H201 WeakPolarHBondContact O-CB 3.35Å; W197-H201 PolarHBondContact O-N 3.36Å |
| 198 | Y | 84.2 | Confident | 82 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 177.7 | -176.1 | -95.7 | 0 | 0 | 0 | 112.3 | I80 Y194 L195 T196 N202 | I80-Y198 HydrophobicContact CB-CE1 3.92Å; I80-Y198 HydrophobicContact CB-CE2 4.12Å; I80-Y198 HydrophobicContact CD1-CD1 4.01Å; I80-Y198 HydrophobicContact CD1-CD2 3.68Å; I80-Y198 HydrophobicContact CD1-CE1 4.13Å; I80-Y198 HydrophobicContact CD1-CE2 3.81Å; I80-Y198 HydrophobicContact CD1-CG 3.78Å; I80-Y198 HydrophobicContact CG1-CE2 4.36Å; I80-Y198 HydrophobicContact CG2-CD1 4.29Å; I80-Y198 HydrophobicContact CG2-CE1 3.71Å; Y194-Y198 WeakPolarHBondContact O-CB 3.25Å; Y194-Y198 PolarHBondContact O-N 3.07Å; L195-Y198 PolarHBondContact O-N 3.18Å; T196-Y198 VanDerWaalsContact C-N 3.31Å; T196-Y198 PolarHBondContact O-N 3.45Å; Y198-N202 WeakPolarHBondContact CD2-ND2 3.46Å; Y198-N202 WeakPolarHBondContact CE2-ND2 3.48Å; Y198-N202 WeakPolarHBondContact O-CB 3.35Å; Y198-N202 PolarHBondContact O-N 2.93Å; Y198-N202 PolarHBondContact O-ND2 3.33Å |
| 199 | I | 84.3 | Confident | 81.5 | Confident | 17 Ų | 17 | 71 Ų | 71 | 9% | 0.087 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 179 | -69.2 | 163.2 | 0 | 0 | 0 | 111.4 | L195 T196 W197 Y203 L206 F212 L213 M216 | L195-I199 WeakPolarHBondContact O-CG1 2.89Å; L195-I199 PolarHBondContact O-N 3.21Å; T196-I199 PolarHBondContact O-N 3.07Å; W197-I199 PolarHBondContact O-N 3.39Å; I199-Y203 VanDerWaalsContact O-CA 3.25Å; I199-Y203 WeakPolarHBondContact O-CA 3.28Å; I199-Y203 WeakPolarHBondContact O-CB 3.18Å; I199-Y203 PolarHBondContact O-N 2.97Å; I199-L206 HydrophobicContact CB-CD1 4.23Å; I199-L206 HydrophobicContact CG1-CD1 4.32Å; I199-L206 HydrophobicContact CG2-CD1 4.12Å; I199-L206 WeakPolarHBondContact O-CD1 2.78Å; I199-F212 HydrophobicContact CD1-CB 4.34Å; I199-L213 HydrophobicContact CG2-CB 4.03Å; I199-L213 HydrophobicContact CG2-CD1 4.07Å; I199-M216 HydrophobicContact CD1-CB 4.49Å; I199-M216 HydrophobicContact CD1-CG 3.6Å |
| 200 | V | 85.6 | Confident | 81.2 | Confident | 86 Ų | 86 | 69.4 Ų | 69.4 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 178.7 | 173 | 0 | 0 | 0 | 0 | 111.1 | T196 W197 Y203 L213 | T196-V200 WeakPolarHBondContact O-CG2 3.4Å; T196-V200 PolarHBondContact O-N 3.01Å; W197-V200 PolarHBondContact O-N 3.17Å; V200-Y203 WeakPolarHBondContact O-CB 3.26Å; V200-Y203 PolarHBondContact O-N 3.44Å; V200-L213 HydrophobicContact CG2-CD1 3.83Å |
| 201 | H | 82.7 | Confident | 81.1 | Confident | 127 Ų | 127 | 73 Ų | 73 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.8 | -35.2 | -178.2 | -164.9 | 73.6 | 0 | 0 | 0 | 112.6 | W197 | W197-H201 VanDerWaalsContact O-CB 3.29Å; W197-H201 WeakPolarHBondContact O-CB 3.35Å; W197-H201 PolarHBondContact O-N 3.36Å |
| 202 | N | 79.1 | Confident | 80.9 | Confident | 43 Ų | 43 | 73.9 Ų | 73.9 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 19 | 180 | -60.4 | -86.2 | 0 | 0 | 0 | 112.6 | Y198 S204 W205 L206 | Y198-N202 WeakPolarHBondContact CD2-ND2 3.46Å; Y198-N202 WeakPolarHBondContact CE2-ND2 3.48Å; Y198-N202 WeakPolarHBondContact O-CB 3.35Å; Y198-N202 PolarHBondContact O-N 2.93Å; Y198-N202 PolarHBondContact O-ND2 3.33Å; N202-S204 PolarHBondContact O-N 3.43Å; N202-W205 PolarHBondContact O-N 2.98Å; N202-L206 HydrophobicContact CB-CD1 4.08Å; N202-L206 HydrophobicContact CB-CG 4.35Å; N202-L206 WeakPolarHBondContact O-CD1 3.3Å; N202-L206 WeakPolarHBondContact O-CG 3.32Å; N202-L206 PolarHBondContact O-N 3.32Å; N202-L206 VanDerWaalsContact O-N 3.17Å |
| 203 | Y | 75.8 | Confident | 80.9 | Confident | 116 Ų | 116 | 75 Ų | 75 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -56.6 | -37.3 | -171.8 | -173.4 | -97.3 | 0 | 0 | 0 | 113.2 | I199 V200 W205 L213 | I199-Y203 VanDerWaalsContact O-CA 3.25Å; I199-Y203 WeakPolarHBondContact O-CA 3.28Å; I199-Y203 WeakPolarHBondContact O-CB 3.18Å; I199-Y203 PolarHBondContact O-N 2.97Å; V200-Y203 WeakPolarHBondContact O-CB 3.26Å; V200-Y203 PolarHBondContact O-N 3.44Å; Y203-W205 VanDerWaalsContact C-N 3.27Å; Y203-W205 PolarHBondContact O-N 3.02Å; Y203-L213 HydrophobicContact CD2-CD2 4.36Å; Y203-L213 HydrophobicContact CE2-CD2 4.06Å |
| 204 | S | 70.4 | Confident | 80.8 | Confident | 105 Ų | 105 | 73.1 Ų | 73.1 | 73% | 0.734 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -73.4 | -14.9 | 179.9 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | N202 | N202-S204 PolarHBondContact O-N 3.43Š|
| 205 | W | 68.9 | Low | 80.8 | Confident | 207 Ų | 207 | 70.4 Ų | 70.4 | 78% | 0.784 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -110 | -4.1 | -178.9 | -73.6 | 59.4 | 0 | 0 | 0 | 112.7 | N202 Y203 | N202-W205 PolarHBondContact O-N 2.98Å; Y203-W205 VanDerWaalsContact C-N 3.27Å; Y203-W205 PolarHBondContact O-N 3.02Å |
| 206 | L | 71.3 | Confident | 80.9 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -92 | 113.3 | -177.9 | -79.7 | 161.4 | 0 | 0 | 0 | 110.2 | Y139 I199 N202 H208 G209 | Y139-L206 HydrophobicContact CD1-CD2 4.16Å; Y139-L206 HydrophobicContact CE1-CD2 3.28Å; Y139-L206 WeakPolarHBondContact OH-CD2 3.43Å; I199-L206 HydrophobicContact CB-CD1 4.23Å; I199-L206 HydrophobicContact CG1-CD1 4.32Å; I199-L206 HydrophobicContact CG2-CD1 4.12Å; I199-L206 WeakPolarHBondContact O-CD1 2.78Å; N202-L206 HydrophobicContact CB-CD1 4.08Å; N202-L206 HydrophobicContact CB-CG 4.35Å; N202-L206 WeakPolarHBondContact O-CD1 3.3Å; N202-L206 WeakPolarHBondContact O-CG 3.32Å; N202-L206 PolarHBondContact O-N 3.32Å; N202-L206 VanDerWaalsContact O-N 3.17Å; L206-H208 PolarHBondContact O-N 2.91Å; L206-G209 PolarHBondContact O-N 2.88Å |
| 207 | D | 69.7 | Low | 81 | Confident | 102 Ų | 102 | 73 Ų | 73 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 124.3 | 166.2 | -73.3 | -28.1 | 0 | 0 | 0 | 108.9 | G209 | D207-G209 VanDerWaalsContact C-N 3.26Å; D207-G209 PolarHBondContact O-N 3.47Å |
| 208 | H | 78.3 | Confident | 81 | Confident | 130 Ų | 130 | 70.8 Ų | 70.8 | 60% | 0.602 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 26 | -175.9 | -51.2 | 81.5 | 0 | 0 | 0 | 115.1 | L206 G210 Y211 F212 | L206-H208 PolarHBondContact O-N 2.91Å; H208-G210 PolarHBondContact O-N 3.23Å; H208-G210 VanDerWaalsContact O-N 3.09Å; H208-Y211 PolarHBondContact O-N 3.32Å; H208-F212 HydrophobicContact CB-CE2 4.38Å; H208-F212 WeakPolarHBondContact O-CD2 3.3Å; H208-F212 PolarHBondContact O-N 2.6Å |
| 209 | G | 75.7 | Confident | 81.2 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 5% | 0.052 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -51.3 | -36.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | L206 D207 Y211 F212 L213 | L206-G209 PolarHBondContact O-N 2.88Å; D207-G209 VanDerWaalsContact C-N 3.26Å; D207-G209 PolarHBondContact O-N 3.47Å; G209-Y211 PolarHBondContact O-N 3.35Å; G209-F212 PolarHBondContact O-N 3.23Å; G209-L213 VanDerWaalsContact O-CB 3.32Å; G209-L213 WeakPolarHBondContact O-CB 3.46Å; G209-L213 PolarHBondContact O-N 3.16Å |
| 210 | G | 80.7 | Confident | 81.4 | Confident | 23 Ų | 23 | 71.7 Ų | 71.7 | 24% | 0.237 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H208 L213 I214 | H208-G210 PolarHBondContact O-N 3.23Å; H208-G210 VanDerWaalsContact O-N 3.09Å; G210-L213 PolarHBondContact O-N 3.01Å; G210-I214 VanDerWaalsContact O-CG1 3.3Å; G210-I214 WeakPolarHBondContact O-CG1 3.46Å; G210-I214 PolarHBondContact O-N 2.97Å |
| 211 | Y | 83.6 | Confident | 81.5 | Confident | 111 Ų | 111 | 72.7 Ų | 72.7 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.4 | -43.3 | 179 | -179.6 | -89.6 | 0 | 0 | 0 | 111.6 | W128 H208 G209 L213 I214 T215 | W128-Y211 AromaticContact CD1-CE1 3.43Å; W128-Y211 VanDerWaalsContact CD1-CE1 3.43Å; W128-Y211 AromaticContact CD1-CZ 3.67Å; W128-Y211 AromaticContact NE1-CE1 3.21Å; W128-Y211 AromaticContact NE1-CZ 3.42Å; W128-Y211 PolarHBondContact NE1-OH 3.5Å; W128-Y211 VanDerWaalsContact NE1-OH 3.16Å; H208-Y211 PolarHBondContact O-N 3.32Å; G209-Y211 PolarHBondContact O-N 3.35Å; Y211-L213 VanDerWaalsContact C-N 3.33Å; Y211-L213 PolarHBondContact O-N 3.48Å; Y211-I214 PolarHBondContact O-N 3.21Å; Y211-T215 PolarHBondContact O-N 3.09Å; Y211-T215 PolarHBondContact O-OG1 2.99Å |
| 212 | F | 83.9 | Confident | 81.7 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 13% | 0.127 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 174.6 | -73.3 | -66.6 | 0 | 0 | 0 | 112 | Y132 I199 H208 G209 T215 M216 | Y132-F212 HydrophobicContact CD1-CE1 4.36Å; Y132-F212 HydrophobicContact CD1-CE2 4.21Å; Y132-F212 AromaticContact CD1-CZ 3.43Å; Y132-F212 HydrophobicContact CD1-CZ 3.43Å; Y132-F212 VanDerWaalsContact CD1-CZ 3.43Å; Y132-F212 HydrophobicContact CD2-CZ 4.41Å; Y132-F212 AromaticContact CE1-CE2 3.86Å; Y132-F212 HydrophobicContact CE1-CE2 3.86Å; Y132-F212 AromaticContact CE1-CZ 3.56Å; Y132-F212 HydrophobicContact CE1-CZ 3.56Å; Y132-F212 AromaticContact CG-CZ 3.87Å; Y132-F212 HydrophobicContact CG-CZ 3.87Å; I199-F212 HydrophobicContact CD1-CB 4.34Å; H208-F212 HydrophobicContact CB-CE2 4.38Å; H208-F212 WeakPolarHBondContact O-CD2 3.3Å; H208-F212 PolarHBondContact O-N 2.6Å; G209-F212 PolarHBondContact O-N 3.23Å; F212-T215 PolarHBondContact O-N 2.97Å; F212-M216 WeakPolarHBondContact O-CB 3.37Å; F212-M216 VanDerWaalsContact O-CG 3.26Å; F212-M216 WeakPolarHBondContact O-CG 3.32Å; F212-M216 PolarHBondContact O-N 3.5Å |
| 213 | L | 86.1 | Confident | 82 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 177.7 | -174.4 | 63.8 | 0 | 0 | 0 | 111.5 | I199 V200 Y203 G209 G210 Y211 T215 M216 M217 | I199-L213 HydrophobicContact CG2-CB 4.03Å; I199-L213 HydrophobicContact CG2-CD1 4.07Å; V200-L213 HydrophobicContact CG2-CD1 3.83Å; Y203-L213 HydrophobicContact CD2-CD2 4.36Å; Y203-L213 HydrophobicContact CE2-CD2 4.06Å; G209-L213 VanDerWaalsContact O-CB 3.32Å; G209-L213 WeakPolarHBondContact O-CB 3.46Å; G209-L213 PolarHBondContact O-N 3.16Å; G210-L213 PolarHBondContact O-N 3.01Å; Y211-L213 VanDerWaalsContact C-N 3.33Å; Y211-L213 PolarHBondContact O-N 3.48Å; L213-T215 PolarHBondContact O-N 3.33Å; L213-M216 PolarHBondContact O-N 3.44Å; L213-M217 HydrophobicContact CD1-CE 4.05Å; L213-M217 VanDerWaalsContact O-CG 3.3Å; L213-M217 WeakPolarHBondContact O-CG 3.49Å; L213-M217 PolarHBondContact O-N 3.42Å |
| 214 | I | 87.8 | Confident | 82.4 | Confident | 107 Ų | 107 | 65 Ų | 65 | 55% | 0.549 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 176.3 | -69.4 | 165.7 | 0 | 0 | 0 | 110.5 | G210 Y211 M216 M217 M218 | G210-I214 VanDerWaalsContact O-CG1 3.3Å; G210-I214 WeakPolarHBondContact O-CG1 3.46Å; G210-I214 PolarHBondContact O-N 2.97Å; Y211-I214 PolarHBondContact O-N 3.21Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 3.09Å; I214-M217 PolarHBondContact O-N 3.01Å; I214-M218 HydrophobicContact CG2-SD 4.29Å; I214-M218 WeakPolarHBondContact O-CG 3.31Å; I214-M218 PolarHBondContact O-N 3.18Å |
| 215 | T | 87.2 | Confident | 83.1 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -42.2 | 179.4 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | M125 Y211 F212 L213 M218 M219 | M125-T215 HydrophobicContact CB-CG2 3.81Å; M125-T215 HydrophobicContact CG-CG2 4.03Å; M125-T215 HydrophobicContact SD-CG2 4.18Å; Y211-T215 PolarHBondContact O-N 3.09Å; Y211-T215 PolarHBondContact O-OG1 2.99Å; F212-T215 PolarHBondContact O-N 2.97Å; L213-T215 PolarHBondContact O-N 3.33Å; T215-M218 PolarHBondContact O-N 2.81Å; T215-M219 VanDerWaalsContact O-CG 3.3Å; T215-M219 WeakPolarHBondContact O-CG 3.45Å; T215-M219 PolarHBondContact O-N 3.16Å |
| 216 | M | 88.2 | Confident | 83.8 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.4 | -77.2 | -63.8 | -63.1 | 0 | 0 | 112.7 | Q192 L195 I199 F212 L213 I214 M219 N220 | Q192-M216 VanDerWaalsContact CD-CE 3.46Å; Q192-M216 HydrophobicContact CG-CE 4.19Å; L195-M216 HydrophobicContact CB-CE 3.62Å; I199-M216 HydrophobicContact CD1-CB 4.49Å; I199-M216 HydrophobicContact CD1-CG 3.6Å; F212-M216 WeakPolarHBondContact O-CB 3.37Å; F212-M216 VanDerWaalsContact O-CG 3.26Å; F212-M216 WeakPolarHBondContact O-CG 3.32Å; F212-M216 PolarHBondContact O-N 3.5Å; L213-M216 PolarHBondContact O-N 3.44Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 3.09Å; M216-M219 PolarHBondContact O-N 2.86Å; M216-N220 WeakPolarHBondContact O-CB 3.48Å; M216-N220 PolarHBondContact O-N 3.18Å; M216-N220 PolarHBondContact O-ND2 3.39Å; M216-N220 PolarHBondContact O-OD1 3.29Å |
| 217 | M | 88.4 | Confident | 84.2 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 35% | 0.345 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 176 | -72 | -54.1 | 100.9 | 0 | 0 | 111.9 | T196 L213 I214 M219 N220 I221 | T196-M217 HydrophobicContact CG2-CE 3.4Å; T196-M217 VanDerWaalsContact CG2-CE 3.4Å; L213-M217 HydrophobicContact CD1-CE 4.05Å; L213-M217 VanDerWaalsContact O-CG 3.3Å; L213-M217 WeakPolarHBondContact O-CG 3.49Å; L213-M217 PolarHBondContact O-N 3.42Å; I214-M217 PolarHBondContact O-N 3.01Å; M217-M219 VanDerWaalsContact C-N 3.33Å; M217-M219 PolarHBondContact O-N 3.37Å; M217-N220 WeakPolarHBondContact CE-ND2 3.33Å; M217-N220 WeakPolarHBondContact O-CB 3.4Å; M217-N220 PolarHBondContact O-N 2.85Å; M217-I221 VanDerWaalsContact O-CG1 3.31Å; M217-I221 WeakPolarHBondContact O-CG1 3.28Å; M217-I221 PolarHBondContact O-N 3.47Å |
| 218 | M | 88.9 | Confident | 84.8 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 174.9 | -71 | 179.2 | 65.6 | 0 | 0 | 111.5 | L121 M125 I214 T215 N220 I221 M222 | L121-M218 HydrophobicContact CD1-CE 4.41Å; L121-M218 HydrophobicContact CD2-CE 4.33Å; M125-M218 HydrophobicContact CE-CB 4.46Å; M125-M218 HydrophobicContact SD-CB 3.74Å; M125-M218 HydrophobicContact SD-CE 3.9Å; M125-M218 HydrophobicContact SD-SD 4.21Å; I214-M218 HydrophobicContact CG2-SD 4.29Å; I214-M218 WeakPolarHBondContact O-CG 3.31Å; I214-M218 PolarHBondContact O-N 3.18Å; T215-M218 PolarHBondContact O-N 2.81Å; M218-N220 VanDerWaalsContact C-N 3.35Å; M218-N220 PolarHBondContact O-N 3.5Å; M218-I221 PolarHBondContact O-N 3.41Å; M218-M222 WeakPolarHBondContact O-CB 3.14Å; M218-M222 PolarHBondContact O-N 2.89Å |
| 219 | M | 88.1 | Confident | 84.9 | Confident | 31 Ų | 31 | 57 Ų | 57 | 15% | 0.153 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175 | -72.2 | -71.9 | -71.5 | 0 | 0 | 112.1 | H122 M125 V126 T215 M216 M217 M222 M223 | H122-M219 VanDerWaalsContact CE1-CE 3.49Å; H122-M219 WeakPolarHBondContact CE1-CE 3.35Å; H122-M219 VanDerWaalsContact ND1-CE 3.35Å; H122-M219 WeakPolarHBondContact ND1-CE 3.07Å; H122-M219 PolarHBondContact ND1-SD 3.19Å; M125-M219 HydrophobicContact CB-SD 4.49Å; M125-M219 HydrophobicContact CE-CG 4.05Å; M125-M219 HydrophobicContact CE-SD 3.56Å; M125-M219 VanDerWaalsContact CE-SD 3.56Å; M125-M219 HydrophobicContact SD-CG 4.36Å; V126-M219 HydrophobicContact CG2-CE 3.92Å; T215-M219 VanDerWaalsContact O-CG 3.3Å; T215-M219 WeakPolarHBondContact O-CG 3.45Å; T215-M219 PolarHBondContact O-N 3.16Å; M216-M219 PolarHBondContact O-N 2.86Å; M217-M219 VanDerWaalsContact C-N 3.33Å; M217-M219 PolarHBondContact O-N 3.37Å; M219-M222 PolarHBondContact O-N 3.4Å; M219-M222 HydrophobicContact SD-CE 4.26Å; M219-M223 WeakPolarHBondContact O-CB 3.24Å; M219-M223 PolarHBondContact O-N 3.06Å |
| 220 | N | 88.2 | Confident | 85 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 176.3 | -68.1 | -9.2 | 0 | 0 | 0 | 111.8 | Q192 T196 M216 M217 M218 M223 V224 | Q192-N220 VanDerWaalsContact CD-OD1 3.25Å; Q192-N220 WeakPolarHBondContact CG-OD1 3.5Å; Q192-N220 PolarHBondContact NE2-OD1 3.4Å; T196-N220 PolarHBondContact OG1-ND2 2.94Å; T196-N220 VanDerWaalsContact OG1-ND2 3.15Å; M216-N220 WeakPolarHBondContact O-CB 3.48Å; M216-N220 PolarHBondContact O-N 3.18Å; M216-N220 PolarHBondContact O-ND2 3.39Å; M216-N220 PolarHBondContact O-OD1 3.29Å; M217-N220 WeakPolarHBondContact CE-ND2 3.33Å; M217-N220 WeakPolarHBondContact O-CB 3.4Å; M217-N220 PolarHBondContact O-N 2.85Å; M218-N220 VanDerWaalsContact C-N 3.35Å; M218-N220 PolarHBondContact O-N 3.5Å; N220-M223 WeakPolarHBondContact O-CB 3.48Å; N220-M223 PolarHBondContact O-N 3.44Å; N220-V224 WeakPolarHBondContact O-CG2 3.44Å; N220-V224 PolarHBondContact O-N 3.06Å |
| 221 | I | 88.5 | Confident | 84.9 | Confident | 107 Ų | 107 | 58.8 Ų | 58.8 | 55% | 0.549 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 179.1 | -68.8 | 164.4 | 0 | 0 | 0 | 110 | M217 M218 M223 V224 I225 | M217-I221 VanDerWaalsContact O-CG1 3.31Å; M217-I221 WeakPolarHBondContact O-CG1 3.28Å; M217-I221 PolarHBondContact O-N 3.47Å; M218-I221 PolarHBondContact O-N 3.41Å; I221-M223 VanDerWaalsContact C-N 3.27Å; I221-M223 PolarHBondContact O-N 2.94Å; I221-V224 PolarHBondContact O-N 2.96Å; I221-I225 HydrophobicContact CG2-CD1 3.84Å; I221-I225 VanDerWaalsContact O-CG1 3.32Å; I221-I225 WeakPolarHBondContact O-CG1 3.37Å; I221-I225 PolarHBondContact O-N 2.96Å |
| 222 | M | 86.4 | Confident | 84.6 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | -178.6 | -160.3 | -176.3 | 73.2 | 0 | 0 | 111.6 | L121 H122 M218 M219 I225 Y226 | L121-M222 HydrophobicContact CD2-SD 4.13Å; H122-M222 HydrophobicContact CB-CE 3.44Å; H122-M222 VanDerWaalsContact CB-CE 3.44Å; H122-M222 HydrophobicContact CB-SD 4.13Å; M218-M222 WeakPolarHBondContact O-CB 3.14Å; M218-M222 PolarHBondContact O-N 2.89Å; M219-M222 PolarHBondContact O-N 3.4Å; M219-M222 HydrophobicContact SD-CE 4.26Å; M222-I225 PolarHBondContact O-N 3.23Å; M222-Y226 HydrophobicContact CE-CE2 3.92Å; M222-Y226 HydrophobicContact CG-CD2 4.37Å; M222-Y226 HydrophobicContact CG-CE2 3.82Å; M222-Y226 WeakPolarHBondContact O-CD2 3.36Å; M222-Y226 PolarHBondContact O-N 2.88Å; M222-Y226 HydrophobicContact SD-CE2 4.27Å |
| 223 | M | 85.1 | Confident | 83.9 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.4 | 177.9 | -178 | -128.7 | 0 | 0 | 113 | Y184 R188 L189 Q192 M219 N220 I221 I225 Y226 F227 | Y184-M223 VanDerWaalsContact OH-CG 3.28Å; Y184-M223 WeakPolarHBondContact OH-CG 3.48Å; Y184-M223 PolarHBondContact OH-O 2.65Å; R188-M223 HydrophobicContact CB-CE 3.36Å; R188-M223 HydrophobicContact CG-CE 3.11Å; R188-M223 VanDerWaalsContact O-CE 3.28Å; R188-M223 WeakPolarHBondContact O-CE 3.23Å; L189-M223 HydrophobicContact CD2-CE 4.38Å; L189-M223 HydrophobicContact CD2-CG 4.19Å; L189-M223 HydrophobicContact CD2-SD 3.82Å; Q192-M223 HydrophobicContact CB-CE 4.26Å; Q192-M223 HydrophobicContact CB-SD 3.99Å; Q192-M223 HydrophobicContact CG-SD 3.91Å; M219-M223 WeakPolarHBondContact O-CB 3.24Å; M219-M223 PolarHBondContact O-N 3.06Å; N220-M223 WeakPolarHBondContact O-CB 3.48Å; N220-M223 PolarHBondContact O-N 3.44Å; I221-M223 VanDerWaalsContact C-N 3.27Å; I221-M223 PolarHBondContact O-N 2.94Å; M223-I225 VanDerWaalsContact C-N 3.32Å; M223-I225 PolarHBondContact O-N 3.12Å; M223-Y226 PolarHBondContact O-N 3.02Å; M223-F227 WeakPolarHBondContact O-CB 3.33Å; M223-F227 PolarHBondContact O-N 2.89Å |
| 224 | V | 85.1 | Confident | 83.2 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | N220 I221 Y226 F227 Y228 | N220-V224 WeakPolarHBondContact O-CG2 3.44Å; N220-V224 PolarHBondContact O-N 3.06Å; I221-V224 PolarHBondContact O-N 2.96Å; V224-Y226 PolarHBondContact O-N 2.97Å; V224-F227 PolarHBondContact O-N 2.89Å; V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.37Å |
| 225 | I | 85.4 | Confident | 82.1 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 175.4 | -67.5 | 167 | 0 | 0 | 0 | 110.6 | I221 M222 M223 Y228 R229 | I221-I225 HydrophobicContact CG2-CD1 3.84Å; I221-I225 VanDerWaalsContact O-CG1 3.32Å; I221-I225 WeakPolarHBondContact O-CG1 3.37Å; I221-I225 PolarHBondContact O-N 2.96Å; M222-I225 PolarHBondContact O-N 3.23Å; M223-I225 VanDerWaalsContact C-N 3.32Å; M223-I225 PolarHBondContact O-N 3.12Å; I225-Y228 PolarHBondContact O-N 3.49Å; I225-R229 WeakPolarHBondContact O-CG 3.41Å; I225-R229 PolarHBondContact O-N 3.14Å |
| 226 | Y | 82.8 | Confident | 80.9 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.2 | -37 | 178 | -69.7 | -29.4 | 0 | 0 | 0 | 113.4 | E118 M222 M223 V224 Y228 R229 L230 | E118-Y226 WeakPolarHBondContact CB-OH 3.25Å; E118-Y226 WeakPolarHBondContact OE2-CE1 3.31Å; E118-Y226 PolarHBondContact OE2-OH 3.27Å; E118-Y226 VanDerWaalsContact OE2-OH 3.13Å; M222-Y226 HydrophobicContact CE-CE2 3.92Å; M222-Y226 HydrophobicContact CG-CD2 4.37Å; M222-Y226 HydrophobicContact CG-CE2 3.82Å; M222-Y226 WeakPolarHBondContact O-CD2 3.36Å; M222-Y226 PolarHBondContact O-N 2.88Å; M222-Y226 HydrophobicContact SD-CE2 4.27Å; M223-Y226 PolarHBondContact O-N 3.02Å; V224-Y226 PolarHBondContact O-N 2.97Å; Y226-Y228 VanDerWaalsContact C-N 3.33Å; Y226-Y228 PolarHBondContact O-N 3.31Å; Y226-R229 PolarHBondContact O-N 3.12Å; Y226-L230 VanDerWaalsContact O-CB 3.29Å; Y226-L230 WeakPolarHBondContact O-CB 3.35Å; Y226-L230 PolarHBondContact O-N 3.36Å |
| 227 | F | 80.2 | Confident | 79.3 | Confident | 46 Ų | 46 | 69.6 Ų | 69.6 | 20% | 0.202 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 173 | -173.1 | -121.9 | 0 | 0 | 0 | 111.4 | L181 Y184 M223 V224 L230 L231 | L181-F227 HydrophobicContact CD1-CE2 3.74Å; L181-F227 HydrophobicContact CD1-CZ 4.15Å; Y184-F227 AromaticContact CD1-CD2 3.43Å; Y184-F227 HydrophobicContact CD1-CD2 3.43Å; Y184-F227 VanDerWaalsContact CD1-CD2 3.43Å; Y184-F227 AromaticContact CD1-CE2 3.79Å; Y184-F227 HydrophobicContact CD1-CE2 3.79Å; Y184-F227 HydrophobicContact CD1-CG 4.26Å; Y184-F227 HydrophobicContact CE1-CB 3.68Å; Y184-F227 AromaticContact CE1-CD2 3.26Å; Y184-F227 HydrophobicContact CE1-CD2 3.26Å; Y184-F227 HydrophobicContact CE1-CE2 4.06Å; Y184-F227 AromaticContact CE1-CG 3.67Å; Y184-F227 HydrophobicContact CE1-CG 3.67Å; Y184-F227 HydrophobicContact CG-CD2 4.17Å; Y184-F227 HydrophobicContact CG-CE2 4.48Å; Y184-F227 AromaticContact CZ-CD2 3.86Å; M223-F227 WeakPolarHBondContact O-CB 3.33Å; M223-F227 PolarHBondContact O-N 2.89Å; V224-F227 PolarHBondContact O-N 2.89Å; F227-L230 PolarHBondContact O-N 3.07Å; F227-L231 HydrophobicContact CD1-CD1 3.87Å; F227-L231 HydrophobicContact CD1-CG 4.44Å; F227-L231 HydrophobicContact CD2-CG 4.43Å; F227-L231 HydrophobicContact CE1-CD1 3.4Å; F227-L231 HydrophobicContact CE1-CG 4.12Å; F227-L231 HydrophobicContact CE2-CD1 4.27Å; F227-L231 HydrophobicContact CE2-CD2 4.26Å; F227-L231 HydrophobicContact CE2-CG 4.11Å; F227-L231 HydrophobicContact CG-CD1 4.49Å; F227-L231 HydrophobicContact CZ-CD1 3.63Å; F227-L231 HydrophobicContact CZ-CD2 4.11Å; F227-L231 HydrophobicContact CZ-CG 3.95Å; F227-L231 WeakPolarHBondContact O-CG 3.34Å; F227-L231 PolarHBondContact O-N 3.04Å |
| 228 | Y | 81.9 | Confident | 77.2 | Confident | 154 Ų | 154 | 76.6 Ų | 76.6 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 176.7 | 176 | -98.8 | 0 | 0 | 0 | 112.1 | V224 I225 Y226 L230 L231 R232 | V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.37Å; I225-Y228 PolarHBondContact O-N 3.49Å; Y226-Y228 VanDerWaalsContact C-N 3.33Å; Y226-Y228 PolarHBondContact O-N 3.31Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 2.89Å; Y228-L231 PolarHBondContact O-N 3.43Å; Y228-R232 VanDerWaalsContact O-CB 3.3Å; Y228-R232 WeakPolarHBondContact O-CB 3.32Å; Y228-R232 PolarHBondContact O-N 3.2Å |
| 229 | R | 80.8 | Confident | 74.8 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 30% | 0.302 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.9 | -70.8 | -176.7 | -168.4 | 170.5 | 6.5 | 111.6 | E118 I225 Y226 R232 T233 | E118-R229 IonicContact OE1-CZ 3.24Å; E118-R229 IonicContact OE1-NH1 3.35Å; E118-R229 PolarHBondContact OE1-NH1 3.47Å; E118-R229 IonicContact OE1-NH2 2.8Å; E118-R229 PolarHBondContact OE1-NH2 3.42Å; E118-R229 IonicContact OE2-CZ 3.58Å; E118-R229 IonicContact OE2-NH1 3.42Å; E118-R229 PolarHBondContact OE2-NH1 3.25Å; E118-R229 IonicContact OE2-NH2 2.84Å; I225-R229 WeakPolarHBondContact O-CG 3.41Å; I225-R229 PolarHBondContact O-N 3.14Å; Y226-R229 PolarHBondContact O-N 3.12Å; R229-R232 PolarHBondContact O-N 2.97Å; R229-T233 WeakPolarHBondContact O-CG2 3.22Å; R229-T233 PolarHBondContact O-N 3.44Å; R229-T233 PolarHBondContact O-OG1 3Å |
| 230 | L | 78.1 | Confident | 72.6 | Confident | 13 Ų | 13 | 84.4 Ų | 84.4 | 7% | 0.068 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.6 | -50.7 | 176.6 | -178.7 | 69.8 | 0 | 0 | 0 | 111.8 | R159 N180 Y226 F227 Y228 R232 T233 D234 | R159-L230 VanDerWaalsContact NH1-CD1 3.31Å; N180-L230 WeakPolarHBondContact ND2-CD2 3.4Å; Y226-L230 VanDerWaalsContact O-CB 3.29Å; Y226-L230 WeakPolarHBondContact O-CB 3.35Å; Y226-L230 PolarHBondContact O-N 3.36Å; F227-L230 PolarHBondContact O-N 3.07Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 2.89Å; L230-R232 VanDerWaalsContact C-N 3.29Å; L230-R232 PolarHBondContact O-N 3.46Å; L230-T233 PolarHBondContact O-N 3.28Å; L230-T233 PolarHBondContact O-OG1 3.39Å; L230-D234 WeakPolarHBondContact O-CB 3.36Å; L230-D234 PolarHBondContact O-N 2.76Å |
| 231 | L | 77.3 | Confident | 69.9 | Low | 52 Ų | 52 | 94.2 Ų | 94.2 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 177.7 | -74.5 | -179.6 | 0 | 0 | 0 | 111.6 | L181 F227 Y228 D234 F235 | L181-L231 HydrophobicContact CD1-CD2 4.22Å; F227-L231 HydrophobicContact CD1-CD1 3.87Å; F227-L231 HydrophobicContact CD1-CG 4.44Å; F227-L231 HydrophobicContact CD2-CG 4.43Å; F227-L231 HydrophobicContact CE1-CD1 3.4Å; F227-L231 HydrophobicContact CE1-CG 4.12Å; F227-L231 HydrophobicContact CE2-CD1 4.27Å; F227-L231 HydrophobicContact CE2-CD2 4.26Å; F227-L231 HydrophobicContact CE2-CG 4.11Å; F227-L231 HydrophobicContact CG-CD1 4.49Å; F227-L231 HydrophobicContact CZ-CD1 3.63Å; F227-L231 HydrophobicContact CZ-CD2 4.11Å; F227-L231 HydrophobicContact CZ-CG 3.95Å; F227-L231 WeakPolarHBondContact O-CG 3.34Å; F227-L231 PolarHBondContact O-N 3.04Å; Y228-L231 PolarHBondContact O-N 3.43Å; L231-D234 PolarHBondContact O-N 3.15Å; L231-F235 HydrophobicContact CD2-CD2 3.8Å; L231-F235 HydrophobicContact CD2-CE2 3.77Å; L231-F235 WeakPolarHBondContact O-CB 3.25Å; L231-F235 PolarHBondContact O-N 2.97Å |
| 232 | R | 77.4 | Confident | 67.3 | Low | 126 Ų | 126 | 98.7 Ų | 98.7 | 48% | 0.475 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 177.7 | -171.3 | -174.9 | -177.4 | -150.6 | 6.8 | 111.7 | Y228 R229 L230 F236 | Y228-R232 VanDerWaalsContact O-CB 3.3Å; Y228-R232 WeakPolarHBondContact O-CB 3.32Å; Y228-R232 PolarHBondContact O-N 3.2Å; R229-R232 PolarHBondContact O-N 2.97Å; L230-R232 VanDerWaalsContact C-N 3.29Å; L230-R232 PolarHBondContact O-N 3.46Å; R232-F236 CarbonylContact O-C 3.32Å; R232-F236 WeakPolarHBondContact O-CA 3.39Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 3.02Å |
| 233 | T | 70.6 | Confident | 64.8 | Low | 45 Ų | 45 | 104.4 Ų | 104.4 | 28% | 0.276 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.3 | -34.2 | -178.5 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | R159 R229 L230 D259 | R159-T233 PolarHBondContact NH2-OG1 3.3Å; R229-T233 WeakPolarHBondContact O-CG2 3.22Å; R229-T233 PolarHBondContact O-N 3.44Å; R229-T233 PolarHBondContact O-OG1 3Å; L230-T233 PolarHBondContact O-N 3.28Å; L230-T233 PolarHBondContact O-OG1 3.39Å; T233-D259 VanDerWaalsContact CG2-OXT 3.31Å; T233-D259 WeakPolarHBondContact CG2-OXT 3.38Å |
| 234 | D | 69.9 | Low | 62.3 | Low | 21 Ų | 21 | 107 Ų | 107 | 11% | 0.112 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -90.2 | -32.3 | -174.8 | -81.2 | -14.8 | 0 | 0 | 0 | 114.3 | R159 Y173 K177 L230 L231 | R159-D234 IonicContact CZ-OD1 2.87Å; R159-D234 IonicContact CZ-OD2 3.1Å; R159-D234 IonicContact NE-OD1 3.43Å; R159-D234 PolarHBondContact NE-OD1 3.14Å; R159-D234 IonicContact NE-OD2 3.54Å; R159-D234 PolarHBondContact NE-OD2 3.16Å; R159-D234 VanDerWaalsContact NH2-CG 3.28Å; R159-D234 IonicContact NH2-OD1 3.68Å; R159-D234 PolarHBondContact NH2-OD1 2.84Å; R159-D234 IonicContact NH2-OD2 3.38Å; R159-D234 PolarHBondContact NH2-OD2 3.06Å; Y173-D234 PolarHBondContact OH-OD1 3.22Å; K177-D234 HydrophobicContact CD-CB 4.03Å; K177-D234 PolarHBondContact NZ-O 2.69Å; L230-D234 WeakPolarHBondContact O-CB 3.36Å; L230-D234 PolarHBondContact O-N 2.76Å; L231-D234 PolarHBondContact O-N 3.15Å |
| 235 | F | 66.6 | Low | 59.7 | Low | 105 Ų | 105 | 112.3 Ų | 112.3 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -110.6 | -22.9 | -176.2 | -66.3 | -86.3 | 0 | 0 | 0 | 113.7 | L181 L231 P237 | L181-F235 HydrophobicContact CD2-CE2 4.34Å; L181-F235 HydrophobicContact CD2-CZ 4.08Å; L231-F235 HydrophobicContact CD2-CD2 3.8Å; L231-F235 HydrophobicContact CD2-CE2 3.77Å; L231-F235 WeakPolarHBondContact O-CB 3.25Å; L231-F235 PolarHBondContact O-N 2.97Å; F235-P237 WeakPolarHBondContact O-CD 3.29Å |
| 236 | F | 60.3 | Low | 57.1 | Low | 155 Ų | 155 | 116.8 Ų | 116.8 | 68% | 0.68 | 56% | 0.556 | S | S | * | * | trans | -120.5 | 61 | 176.5 | -59 | -80.9 | 0 | 0 | 0 | 111.3 | R232 R238 | R232-F236 CarbonylContact O-C 3.32Å; R232-F236 WeakPolarHBondContact O-CA 3.39Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 3.02Å; F236-R238 PolarHBondContact O-N 3.27Å | ||
| 237 | P | 54.8 | Low | 54.6 | Low | 99 Ų | 99 | 117.9 Ų | 117.9 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | trans | -57.7 | 111.3 | 173.6 | 23.9 | -30 | 0 | 0 | 0 | 107.8 | F235 S239 | F235-P237 WeakPolarHBondContact O-CD 3.29Å; P237-S239 PolarHBondContact O-N 3.27Å | ||
| 238 | R | 45.2 | Very low | 52.2 | Low | 217 Ų | 217 | 122.4 Ų | 122.4 | 82% | 0.819 | 61% | 0.611 | S | S | * | * | trans | -59.2 | 107.9 | 172.9 | -154.5 | -179.8 | -168.5 | -172.4 | 2.3 | 105 | F236 K240 | F236-R238 PolarHBondContact O-N 3.27Å; R238-K240 PolarHBondContact O-N 2.72Å | ||
| 239 | S | 38.5 | Very low | 49.8 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | trans | -48.7 | 109.8 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | P237 R241 | P237-S239 PolarHBondContact O-N 3.27Å; S239-R241 PolarHBondContact O-N 3.17Å | ||
| 240 | K | 41.6 | Very low | 47.4 | Very low | 169 Ų | 169 | 126 Ų | 126 | 74% | 0.735 | 64% | 0.641 | S | S | * | * | trans | -64.6 | 98.8 | 168.9 | -87.7 | -174 | 175.7 | -178.9 | 0 | 104.4 | R238 Y242 | R238-K240 PolarHBondContact O-N 2.72Å; K240-Y242 PolarHBondContact O-N 2.9Å | ||
| 241 | R | 31.5 | Very low | 45.1 | Very low | 241 Ų | 241 | 132.8 Ų | 132.8 | 91% | 0.909 | 68% | 0.677 | S | S | * | * | trans | -56.2 | 92.4 | 159.1 | -112.5 | -178.1 | 170.7 | -178.5 | -2.8 | 106.4 | S239 T243 | S239-R241 PolarHBondContact O-N 3.17Å; R241-T243 PolarHBondContact O-N 2.98Å | ||
| 242 | Y | 34.6 | Very low | 43 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 79% | 0.788 | 71% | 0.708 | S | S | * | * | trans | -66.4 | 117.4 | 150.1 | -87.7 | -87.9 | 0 | 0 | 0 | 105.4 | K240 | K240-Y242 PolarHBondContact O-N 2.9Š| ||
| 243 | T | 33.2 | Very low | 41 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 87% | 0.871 | 71% | 0.714 | S | S | * | * | 158.3 | 123 | 121 | -47.9 | 0 | 0 | 0 | 0 | 108.9 | R241 | R241-T243 PolarHBondContact O-N 2.98Š| |||
| 244 | G | 33.1 | Very low | 39.3 | Very low | 69 Ų | 69 | 143 Ų | 143 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 112.5 | 87.7 | 157 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 245 | Q | 30 | Very low | 37.8 | Very low | 201 Ų | 201 | 150.8 Ų | 150.8 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | -173.3 | 123.9 | 116 | -103.2 | 175.5 | -3.9 | 0 | 0 | 111.7 | |||||
| 246 | N | 31.6 | Very low | 36.5 | Very low | 168 Ų | 168 | 150 Ų | 150 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -52.4 | 149.4 | 160.7 | -75.1 | -27.4 | 0 | 0 | 0 | 111.2 | ||||
| 247 | G | 29.9 | Very low | 35.4 | Very low | 64 Ų | 64 | 149.5 Ų | 149.5 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 116.6 | 111.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 248 | T | 29.5 | Very low | 34.4 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | 63.3 | 108.3 | 137.5 | 51 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 249 | H | 30.6 | Very low | 34 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | 69.9 | 126.5 | 129 | -125.1 | -96.9 | 0 | 0 | 0 | 120.1 | |||||
| 250 | N | 32.1 | Very low | 33.8 | Very low | 133 Ų | 133 | 144 Ų | 144 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 71.2 | 105 | 151 | -120.3 | 4.4 | 0 | 0 | 0 | 118.2 | ||||
| 251 | N | 28.8 | Very low | 33.4 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | -166.6 | 118.1 | 127 | -106.6 | -31.7 | 0 | 0 | 0 | 113.6 | S253 | N251-S253 PolarHBondContact O-N 3.39Š| |||
| 252 | N | 33.3 | Very low | 33.5 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 91% | 0.914 | 74% | 0.743 | S | S | * | * | trans | -67.1 | 74.7 | 162.1 | -100.8 | -20.1 | 0 | 0 | 0 | 110.4 | ||||
| 253 | S | 34.8 | Very low | 33.5 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | trans | -140.1 | 90.7 | 160.9 | -173.7 | 0 | 0 | 0 | 0 | 107.2 | N251 K255 | N251-S253 PolarHBondContact O-N 3.39Å; S253-K255 PolarHBondContact O-N 3.04Å | ||
| 254 | K | 36.5 | Very low | 33.5 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | -66.7 | 71.7 | 158.6 | -73.6 | -170.8 | 179.3 | -174.8 | 0 | 107.1 | F256 | K254-F256 PolarHBondContact O-N 3.18Š| ||
| 255 | K | 37.6 | Very low | 33.5 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -57.7 | 121.4 | 168.5 | -166.4 | 172.2 | -173.5 | 172.6 | 0 | 105.6 | S253 L257 | S253-K255 PolarHBondContact O-N 3.04Å; K255-L257 PolarHBondContact O-N 3Å; K255-L257 VanDerWaalsContact O-N 3.09Å | ||
| 256 | F | 38.3 | Very low | 33.7 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 38% | 0.382 | 72% | 0.719 | S | S | . | * | trans | -30.8 | 116.9 | 172.3 | -127.7 | -106.3 | 0 | 0 | 0 | 108.7 | G115 K254 S258 | G115-F256 WeakPolarHBondContact O-CE2 3.48Å; G115-F256 WeakPolarHBondContact O-CZ 3.2Å; K254-F256 PolarHBondContact O-N 3.18Å; F256-S258 PolarHBondContact O-N 3.47Å | ||
| 257 | L | 37.9 | Very low | 33.9 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | -47.6 | 111.7 | 167.9 | -87.9 | 161.5 | 0 | 0 | 0 | 105.4 | K255 D259 | K255-L257 PolarHBondContact O-N 3Å; K255-L257 VanDerWaalsContact O-N 3.09Å; L257-D259 PolarHBondContact O-N 2.87Å | ||
| 258 | S | 33.5 | Very low | 34.2 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | -42.1 | 104.5 | -175 | 46.9 | 0 | 0 | 0 | 0 | 110 | F256 | F256-S258 PolarHBondContact O-N 3.47Š| ||
| 259 | D | 38 | Very low | 34.7 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 34% | 0.337 | 70% | 0.696 | S | S | . | * | trans | -95.6 | 0 | 167.6 | -77.2 | -27.9 | 0 | 0 | 0 | 108.2 | K48 K163 T233 L257 | K48-D259 IonicContact NZ-OD2 3.89Å; K163-D259 IonicContact NZ-OD1 3.64Å; K163-D259 PolarHBondContact NZ-OD1 3.34Å; T233-D259 VanDerWaalsContact CG2-OXT 3.31Å; T233-D259 WeakPolarHBondContact CG2-OXT 3.38Å; L257-D259 PolarHBondContact O-N 2.87Å |
Retrieved 259 of 259 residues in 563.9 ms
(Link to these results)