| 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 | 38.4 | Very low | 46.1 | Very low | 174 Ų | 174 | 118.1 Ų | 118.1 | 86% | 0.857 | 59% | 0.587 | S | S | * | * | 0 | -59.5 | 0 | -147.5 | 169.6 | 59.1 | 0 | 0 | 113.3 | L3 I4 K5 | M1-L3 PolarHBondContact O-N 3.33Å; M1-I4 PolarHBondContact O-N 2.88Å; M1-K5 WeakPolarHBondContact O-CG 3.4Å; M1-K5 PolarHBondContact O-N 3.43Å | |||
| 2 | K | 45.9 | Very low | 45.9 | Very low | 187 Ų | 187 | 115.9 Ų | 115.9 | 81% | 0.813 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.9 | -41.3 | 175.3 | -77.8 | -176.4 | 177.7 | 178.6 | 0 | 113.8 | K5 K6 | K2-K5 PolarHBondContact O-N 3.32Å; K2-K6 PolarHBondContact O-N 2.92Å |
| 3 | L | 46.4 | Very low | 45.9 | Very low | 119 Ų | 119 | 110.2 Ų | 110.2 | 62% | 0.623 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.1 | -42.9 | 177 | -174.4 | 65.7 | 0 | 0 | 0 | 112.7 | M1 K6 I7 | M1-L3 PolarHBondContact O-N 3.33Å; L3-K6 CarbonylContact O-C 3.59Å; L3-K6 WeakPolarHBondContact O-CB 3.5Å; L3-K6 PolarHBondContact O-N 2.81Å; L3-K6 VanDerWaalsContact O-N 3.16Å; L3-I7 HydrophobicContact CG-CD1 4.14Å; L3-I7 WeakPolarHBondContact O-CG1 3.18Å; L3-I7 PolarHBondContact O-N 2.87Å |
| 4 | I | 41.7 | Very low | 45.8 | Very low | 98 Ų | 98 | 114.2 Ų | 114.2 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.6 | -44.2 | 174.1 | -64.4 | 170.6 | 0 | 0 | 0 | 110.1 | M1 K6 I7 M8 | M1-I4 PolarHBondContact O-N 2.88Å; I4-K6 VanDerWaalsContact C-N 3.29Å; I4-K6 PolarHBondContact O-N 2.83Å; I4-I7 PolarHBondContact O-N 3.24Å; I4-M8 HydrophobicContact CG2-CG 4.26Å; I4-M8 HydrophobicContact CG2-SD 3.96Å; I4-M8 WeakPolarHBondContact O-CB 3.33Å; I4-M8 VanDerWaalsContact O-CG 3.26Å; I4-M8 WeakPolarHBondContact O-CG 3.36Å; I4-M8 PolarHBondContact O-N 2.97Å |
| 5 | K | 45.7 | Very low | 45.4 | Very low | 138 Ų | 138 | 109.4 Ų | 109.4 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.5 | -37.8 | 173 | -75.2 | -172.5 | 175.7 | -170.9 | 0 | 112.2 | M1 K2 S9 | M1-K5 WeakPolarHBondContact O-CG 3.4Å; M1-K5 PolarHBondContact O-N 3.43Å; K2-K5 PolarHBondContact O-N 3.32Å; K5-S9 VanDerWaalsContact O-CB 3.26Å; K5-S9 WeakPolarHBondContact O-CB 3.41Å; K5-S9 PolarHBondContact O-N 3.31Å |
| 6 | K | 51.7 | Low | 45.4 | Very low | 146 Ų | 146 | 109.9 Ų | 109.9 | 64% | 0.635 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.1 | -44.4 | 174 | -95.5 | -173.8 | 173.2 | -173.2 | 0 | 112.6 | K2 L3 I4 S9 V10 | K2-K6 PolarHBondContact O-N 2.92Å; L3-K6 CarbonylContact O-C 3.59Å; L3-K6 WeakPolarHBondContact O-CB 3.5Å; L3-K6 PolarHBondContact O-N 2.81Å; L3-K6 VanDerWaalsContact O-N 3.16Å; I4-K6 VanDerWaalsContact C-N 3.29Å; I4-K6 PolarHBondContact O-N 2.83Å; K6-S9 PolarHBondContact O-N 2.99Å; K6-S9 PolarHBondContact O-OG 3.48Å; K6-S9 VanDerWaalsContact O-OG 3.1Å; K6-V10 WeakPolarHBondContact O-CB 3.25Å; K6-V10 VanDerWaalsContact O-CG2 3.23Å; K6-V10 WeakPolarHBondContact O-CG2 3.47Å; K6-V10 PolarHBondContact O-N 3.3Å |
| 7 | I | 48.4 | Very low | 45.8 | Very low | 78 Ų | 78 | 110.1 Ų | 110.1 | 40% | 0.4 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.1 | -46.8 | 176.3 | -68.6 | 167.7 | 0 | 0 | 0 | 109.3 | L3 I4 S9 V10 I11 | L3-I7 HydrophobicContact CG-CD1 4.14Å; L3-I7 WeakPolarHBondContact O-CG1 3.18Å; L3-I7 PolarHBondContact O-N 2.87Å; I4-I7 PolarHBondContact O-N 3.24Å; I7-S9 VanDerWaalsContact C-N 3.33Å; I7-S9 PolarHBondContact O-N 2.79Å; I7-V10 PolarHBondContact O-N 3.4Å; I7-I11 HydrophobicContact CG2-CD1 3.71Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 WeakPolarHBondContact O-CB 3.5Å; I7-I11 VanDerWaalsContact O-CG1 3.23Å; I7-I11 WeakPolarHBondContact O-CG1 3.42Å; I7-I11 PolarHBondContact O-N 3Å |
| 8 | M | 44.8 | Very low | 45.6 | Very low | 107 Ų | 107 | 109.3 Ų | 109.3 | 53% | 0.527 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 173.4 | -70.6 | -179.8 | 75.9 | 0 | 0 | 111.9 | I4 L12 | I4-M8 HydrophobicContact CG2-CG 4.26Å; I4-M8 HydrophobicContact CG2-SD 3.96Å; I4-M8 WeakPolarHBondContact O-CB 3.33Å; I4-M8 VanDerWaalsContact O-CG 3.26Å; I4-M8 WeakPolarHBondContact O-CG 3.36Å; I4-M8 PolarHBondContact O-N 2.97Å; M8-L12 WeakPolarHBondContact O-CB 2.82Å; M8-L12 WeakPolarHBondContact O-CD1 3.27Å; M8-L12 VanDerWaalsContact O-CG 3.32Å; M8-L12 WeakPolarHBondContact O-CG 3.38Å; M8-L12 PolarHBondContact O-N 3.38Å |
| 9 | S | 49.2 | Very low | 45.5 | Very low | 66 Ų | 66 | 107.3 Ų | 107.3 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.4 | -31.8 | 177.9 | 84.3 | 0 | 0 | 0 | 0 | 112.9 | K5 K6 I7 G13 | K5-S9 VanDerWaalsContact O-CB 3.26Å; K5-S9 WeakPolarHBondContact O-CB 3.41Å; K5-S9 PolarHBondContact O-N 3.31Å; K6-S9 PolarHBondContact O-N 2.99Å; K6-S9 PolarHBondContact O-OG 3.48Å; K6-S9 VanDerWaalsContact O-OG 3.1Å; I7-S9 VanDerWaalsContact C-N 3.33Å; I7-S9 PolarHBondContact O-N 2.79Å; S9-G13 WeakPolarHBondContact O-CA 3.23Å; S9-G13 PolarHBondContact O-N 3.06Å |
| 10 | V | 51.5 | Low | 45.7 | Very low | 92 Ų | 92 | 104.7 Ų | 104.7 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.7 | -44.9 | 174 | 169.3 | 0 | 0 | 0 | 0 | 109.7 | K6 I7 G13 W14 | K6-V10 WeakPolarHBondContact O-CB 3.25Å; K6-V10 VanDerWaalsContact O-CG2 3.23Å; K6-V10 WeakPolarHBondContact O-CG2 3.47Å; K6-V10 PolarHBondContact O-N 3.3Å; I7-V10 PolarHBondContact O-N 3.4Å; V10-G13 PolarHBondContact O-N 3.29Å; V10-W14 WeakPolarHBondContact O-CB 3.5Å; V10-W14 PolarHBondContact O-N 3.45Å |
| 11 | I | 43.2 | Very low | 45.9 | Very low | 94 Ų | 94 | 102.9 Ų | 102.9 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 173 | -67 | 167.7 | 0 | 0 | 0 | 109.6 | I7 G13 W14 C15 | I7-I11 HydrophobicContact CG2-CD1 3.71Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 WeakPolarHBondContact O-CB 3.5Å; I7-I11 VanDerWaalsContact O-CG1 3.23Å; I7-I11 WeakPolarHBondContact O-CG1 3.42Å; I7-I11 PolarHBondContact O-N 3Å; I11-G13 VanDerWaalsContact C-N 3.31Å; I11-G13 PolarHBondContact O-N 3.41Å; I11-W14 PolarHBondContact O-N 3.04Å; I11-C15 VanDerWaalsContact O-CB 3.3Å; I11-C15 WeakPolarHBondContact O-CB 3.28Å; I11-C15 PolarHBondContact O-N 3.04Å; I11-C15 PolarHBondContact O-SG 2.88Å |
| 12 | L | 43.8 | Very low | 46.1 | Very low | 92 Ų | 92 | 96.4 Ų | 96.4 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 174.5 | -85.6 | 157.1 | 0 | 0 | 0 | 112.1 | M8 C15 M16 | M8-L12 WeakPolarHBondContact O-CB 2.82Å; M8-L12 WeakPolarHBondContact O-CD1 3.27Å; M8-L12 VanDerWaalsContact O-CG 3.32Å; M8-L12 WeakPolarHBondContact O-CG 3.38Å; M8-L12 PolarHBondContact O-N 3.38Å; L12-C15 PolarHBondContact O-N 3.5Å; L12-M16 VanDerWaalsContact O-CB 3.25Å; L12-M16 WeakPolarHBondContact O-CB 3.48Å; L12-M16 WeakPolarHBondContact O-CG 3.4Å; L12-M16 PolarHBondContact O-N 2.74Å |
| 13 | G | 46.1 | Very low | 46.2 | Very low | 41 Ų | 41 | 91.6 Ų | 91.6 | 42% | 0.423 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S9 V10 I11 F17 | S9-G13 WeakPolarHBondContact O-CA 3.23Å; S9-G13 PolarHBondContact O-N 3.06Å; V10-G13 PolarHBondContact O-N 3.29Å; I11-G13 VanDerWaalsContact C-N 3.31Å; I11-G13 PolarHBondContact O-N 3.41Å; G13-F17 VanDerWaalsContact O-CB 3.28Å; G13-F17 WeakPolarHBondContact O-CB 3.47Å; G13-F17 PolarHBondContact O-N 3.37Å |
| 14 | W | 45.1 | Very low | 46.2 | Very low | 167 Ų | 167 | 93.4 Ų | 93.4 | 63% | 0.633 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | 173.7 | -112.8 | 85.8 | 0 | 0 | 0 | 111.8 | V10 I11 F17 M18 | V10-W14 WeakPolarHBondContact O-CB 3.5Å; V10-W14 PolarHBondContact O-N 3.45Å; I11-W14 PolarHBondContact O-N 3.04Å; W14-F17 PolarHBondContact O-N 3.47Å; W14-M18 HydrophobicContact CE3-CE 4.33Å; W14-M18 HydrophobicContact CE3-CG 4.06Å; W14-M18 HydrophobicContact CZ3-CE 3.77Å; W14-M18 HydrophobicContact CZ3-CG 4.38Å; W14-M18 HydrophobicContact CZ3-SD 4.34Å; W14-M18 WeakPolarHBondContact O-CB 3.4Å; W14-M18 WeakPolarHBondContact O-CG 3.42Å; W14-M18 PolarHBondContact O-N 3.36Å |
| 15 | C | 38.6 | Very low | 46.1 | Very low | 42 Ų | 42 | 93.1 Ų | 93.1 | 28% | 0.284 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 176.6 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | I11 L12 F17 M18 V19 W51 | I11-C15 VanDerWaalsContact O-CB 3.3Å; I11-C15 WeakPolarHBondContact O-CB 3.28Å; I11-C15 PolarHBondContact O-N 3.04Å; I11-C15 PolarHBondContact O-SG 2.88Å; L12-C15 PolarHBondContact O-N 3.5Å; C15-F17 VanDerWaalsContact C-N 3.33Å; C15-F17 PolarHBondContact O-N 2.83Å; C15-M18 PolarHBondContact O-N 2.97Å; C15-V19 WeakPolarHBondContact O-CB 3.2Å; C15-V19 VanDerWaalsContact O-CG2 3.24Å; C15-V19 WeakPolarHBondContact O-CG2 3.34Å; C15-V19 PolarHBondContact O-N 3.01Å; C15-W51 HydrophobicContact CB-CZ2 4.35Å |
| 16 | M | 45.3 | Very low | 45.9 | Very low | 118 Ų | 118 | 91.9 Ų | 91.9 | 58% | 0.581 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.9 | -38.4 | 174.9 | -74.1 | -70.4 | -72.4 | 0 | 0 | 110.9 | L12 T20 | L12-M16 VanDerWaalsContact O-CB 3.25Å; L12-M16 WeakPolarHBondContact O-CB 3.48Å; L12-M16 WeakPolarHBondContact O-CG 3.4Å; L12-M16 PolarHBondContact O-N 2.74Å; M16-T20 WeakPolarHBondContact O-CB 3.11Å; M16-T20 PolarHBondContact O-N 3.26Å; M16-T20 PolarHBondContact O-OG1 2.85Å |
| 17 | F | 52.3 | Low | 45.4 | Very low | 112 Ų | 112 | 95.3 Ų | 95.3 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -47.6 | 172.7 | 176.7 | -100.3 | 0 | 0 | 0 | 111.4 | G13 W14 C15 T20 M21 | G13-F17 VanDerWaalsContact O-CB 3.28Å; G13-F17 WeakPolarHBondContact O-CB 3.47Å; G13-F17 PolarHBondContact O-N 3.37Å; W14-F17 PolarHBondContact O-N 3.47Å; C15-F17 VanDerWaalsContact C-N 3.33Å; C15-F17 PolarHBondContact O-N 2.83Å; F17-T20 PolarHBondContact O-N 3.2Å; F17-M21 HydrophobicContact CD1-CG 4.29Å; F17-M21 HydrophobicContact CD2-CG 4.31Å; F17-M21 HydrophobicContact CE1-CG 3.87Å; F17-M21 HydrophobicContact CE2-CE 4.45Å; F17-M21 HydrophobicContact CE2-CG 3.9Å; F17-M21 HydrophobicContact CE2-SD 4.45Å; F17-M21 HydrophobicContact CG-CG 4.5Å; F17-M21 HydrophobicContact CZ-CG 3.66Å; F17-M21 HydrophobicContact CZ-SD 4.23Å; F17-M21 VanDerWaalsContact O-CB 3.25Å; F17-M21 WeakPolarHBondContact O-CB 3.34Å; F17-M21 WeakPolarHBondContact O-CG 3.4Å; F17-M21 PolarHBondContact O-N 3.35Å |
| 18 | M | 43.4 | Very low | 45.1 | Very low | 97 Ų | 97 | 101.6 Ų | 101.6 | 48% | 0.478 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.8 | -74.2 | -91.1 | 119.7 | 0 | 0 | 111.9 | W14 C15 M21 S22 | W14-M18 HydrophobicContact CE3-CE 4.33Å; W14-M18 HydrophobicContact CE3-CG 4.06Å; W14-M18 HydrophobicContact CZ3-CE 3.77Å; W14-M18 HydrophobicContact CZ3-CG 4.38Å; W14-M18 HydrophobicContact CZ3-SD 4.34Å; W14-M18 WeakPolarHBondContact O-CB 3.4Å; W14-M18 WeakPolarHBondContact O-CG 3.42Å; W14-M18 PolarHBondContact O-N 3.36Å; C15-M18 PolarHBondContact O-N 2.97Å; M18-M21 PolarHBondContact O-N 3.46Å; M18-S22 WeakPolarHBondContact O-CB 3.4Å; M18-S22 PolarHBondContact O-N 3.24Å; M18-S22 PolarHBondContact O-OG 3.12Å |
| 19 | V | 43.9 | Very low | 44.7 | Very low | 70 Ų | 70 | 101.9 Ų | 101.9 | 42% | 0.424 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 111 | C15 S22 V23 | C15-V19 WeakPolarHBondContact O-CB 3.2Å; C15-V19 VanDerWaalsContact O-CG2 3.24Å; C15-V19 WeakPolarHBondContact O-CG2 3.34Å; C15-V19 PolarHBondContact O-N 3.01Å; V19-S22 VanDerWaalsContact CA-OG 3.27Å; V19-S22 WeakPolarHBondContact CA-OG 3.38Å; V19-S22 PolarHBondContact O-N 3.22Å; V19-S22 PolarHBondContact O-OG 3.07Å; V19-S22 VanDerWaalsContact O-OG 3.1Å; V19-V23 HydrophobicContact CG1-CG2 4.27Å; V19-V23 WeakPolarHBondContact O-CB 3.38Å; V19-V23 WeakPolarHBondContact O-CG2 3.5Å; V19-V23 PolarHBondContact O-N 3.03Å |
| 20 | T | 48.5 | Very low | 44 | Very low | 55 Ų | 55 | 108.5 Ų | 108.5 | 34% | 0.337 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 179 | -52 | 0 | 0 | 0 | 0 | 111.1 | M16 F17 R24 | M16-T20 WeakPolarHBondContact O-CB 3.11Å; M16-T20 PolarHBondContact O-N 3.26Å; M16-T20 PolarHBondContact O-OG1 2.85Å; F17-T20 PolarHBondContact O-N 3.2Å; T20-R24 HydrophobicContact CG2-CG 4.35Å; T20-R24 VanDerWaalsContact O-CB 3.23Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 VanDerWaalsContact O-CG 3.25Å; T20-R24 WeakPolarHBondContact O-CG 3.09Å; T20-R24 PolarHBondContact O-N 2.97Å |
| 21 | M | 49.4 | Very low | 43.2 | Very low | 67 Ų | 67 | 113.1 Ų | 113.1 | 33% | 0.33 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 172.2 | -82.1 | -68.8 | 105 | 0 | 0 | 111 | F17 M18 R24 L25 | F17-M21 HydrophobicContact CD1-CG 4.29Å; F17-M21 HydrophobicContact CD2-CG 4.31Å; F17-M21 HydrophobicContact CE1-CG 3.87Å; F17-M21 HydrophobicContact CE2-CE 4.45Å; F17-M21 HydrophobicContact CE2-CG 3.9Å; F17-M21 HydrophobicContact CE2-SD 4.45Å; F17-M21 HydrophobicContact CG-CG 4.5Å; F17-M21 HydrophobicContact CZ-CG 3.66Å; F17-M21 HydrophobicContact CZ-SD 4.23Å; F17-M21 VanDerWaalsContact O-CB 3.25Å; F17-M21 WeakPolarHBondContact O-CB 3.34Å; F17-M21 WeakPolarHBondContact O-CG 3.4Å; F17-M21 PolarHBondContact O-N 3.35Å; M18-M21 PolarHBondContact O-N 3.46Å; M21-R24 PolarHBondContact O-N 3.34Å; M21-L25 WeakPolarHBondContact O-CB 3.41Å; M21-L25 PolarHBondContact O-N 3.11Å |
| 22 | S | 44.2 | Very low | 42.7 | Very low | 39 Ų | 39 | 116.3 Ų | 116.3 | 27% | 0.273 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 177.8 | 37.4 | 0 | 0 | 0 | 0 | 112.2 | M18 V19 L25 L26 | M18-S22 WeakPolarHBondContact O-CB 3.4Å; M18-S22 PolarHBondContact O-N 3.24Å; M18-S22 PolarHBondContact O-OG 3.12Å; V19-S22 VanDerWaalsContact CA-OG 3.27Å; V19-S22 WeakPolarHBondContact CA-OG 3.38Å; V19-S22 PolarHBondContact O-N 3.22Å; V19-S22 PolarHBondContact O-OG 3.07Å; V19-S22 VanDerWaalsContact O-OG 3.1Å; S22-L25 PolarHBondContact O-N 3.17Å; S22-L26 VanDerWaalsContact O-CB 3.28Å; S22-L26 WeakPolarHBondContact O-CB 3.3Å; S22-L26 WeakPolarHBondContact O-CD1 3.48Å; S22-L26 WeakPolarHBondContact O-CG 3.49Å; S22-L26 PolarHBondContact O-N 3.41Å |
| 23 | V | 46.8 | Very low | 42.4 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 52% | 0.515 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.7 | -41.1 | 173.3 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | V19 L26 R27 | V19-V23 HydrophobicContact CG1-CG2 4.27Å; V19-V23 WeakPolarHBondContact O-CB 3.38Å; V19-V23 WeakPolarHBondContact O-CG2 3.5Å; V19-V23 PolarHBondContact O-N 3.03Å; V23-L26 PolarHBondContact O-N 3.06Å; V23-R27 PolarHBondContact O-N 3.31Å |
| 24 | R | 46.6 | Very low | 42 | Very low | 158 Ų | 158 | 124 Ų | 124 | 60% | 0.596 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.3 | -40.4 | 175.2 | -77.2 | 179.8 | -178.6 | -170.5 | 1.3 | 111.3 | T20 M21 R27 Y28 | T20-R24 HydrophobicContact CG2-CG 4.35Å; T20-R24 VanDerWaalsContact O-CB 3.23Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 VanDerWaalsContact O-CG 3.25Å; T20-R24 WeakPolarHBondContact O-CG 3.09Å; T20-R24 PolarHBondContact O-N 2.97Å; M21-R24 PolarHBondContact O-N 3.34Å; R24-R27 PolarHBondContact O-N 3.47Å; R24-Y28 WeakPolarHBondContact O-CD2 3.36Å; R24-Y28 PolarHBondContact O-N 3.36Å; R24-Y28 VanDerWaalsContact O-N 3.1Å |
| 25 | L | 40.6 | Very low | 41.8 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 48% | 0.482 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.4 | -43.7 | 174 | -117.2 | 85.2 | 0 | 0 | 0 | 111.4 | M21 S22 R27 Y28 L29 | M21-L25 WeakPolarHBondContact O-CB 3.41Å; M21-L25 PolarHBondContact O-N 3.11Å; S22-L25 PolarHBondContact O-N 3.17Å; L25-R27 PolarHBondContact O-N 3.01Å; L25-Y28 PolarHBondContact O-N 3.49Å; L25-Y28 VanDerWaalsContact O-N 3.08Å; L25-L29 HydrophobicContact CD2-CD1 4.09Å; L25-L29 HydrophobicContact CG-CD1 4.31Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 WeakPolarHBondContact O-CG 3.45Å; L25-L29 PolarHBondContact O-N 2.98Å |
| 26 | L | 40.2 | Very low | 41.6 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 58% | 0.581 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -57.5 | -35.3 | 174.6 | -81.8 | 161.7 | 0 | 0 | 0 | 112 | S22 V23 | S22-L26 VanDerWaalsContact O-CB 3.28Å; S22-L26 WeakPolarHBondContact O-CB 3.3Å; S22-L26 WeakPolarHBondContact O-CD1 3.48Å; S22-L26 WeakPolarHBondContact O-CG 3.49Å; S22-L26 PolarHBondContact O-N 3.41Å; V23-L26 PolarHBondContact O-N 3.06Å |
| 27 | R | 40.6 | Very low | 41 | Very low | 218 Ų | 218 | 125.6 Ų | 125.6 | 82% | 0.823 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.8 | -33.3 | 176.4 | -150.4 | 179.7 | -167.9 | -168.1 | 3.3 | 112.7 | V23 R24 L25 | V23-R27 PolarHBondContact O-N 3.31Å; R24-R27 PolarHBondContact O-N 3.47Å; L25-R27 PolarHBondContact O-N 3.01Å |
| 28 | Y | 43.2 | Very low | 40.3 | Very low | 210 Ų | 210 | 128.3 Ų | 128.3 | 82% | 0.824 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.6 | -30.5 | 175.9 | -95.9 | -81.2 | 0 | 0 | 0 | 113 | R24 L25 | R24-Y28 WeakPolarHBondContact O-CD2 3.36Å; R24-Y28 PolarHBondContact O-N 3.36Å; R24-Y28 VanDerWaalsContact O-N 3.1Å; L25-Y28 PolarHBondContact O-N 3.49Å; L25-Y28 VanDerWaalsContact O-N 3.08Å |
| 29 | L | 35.4 | Very low | 40.2 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 60% | 0.597 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 20.8 | -174.1 | -63.6 | 170.4 | 0 | 0 | 0 | 113.1 | L25 F31 | L25-L29 HydrophobicContact CD2-CD1 4.09Å; L25-L29 HydrophobicContact CG-CD1 4.31Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 WeakPolarHBondContact O-CG 3.45Å; L25-L29 PolarHBondContact O-N 2.98Å; L29-F31 PolarHBondContact O-N 3.46Å |
| 30 | Y | 35.9 | Very low | 39.9 | Very low | 205 Ų | 205 | 130.5 Ų | 130.5 | 80% | 0.804 | 60% | 0.601 | S | S | * | * | trans | -68.1 | 0.6 | 177 | -143.6 | -94.6 | 0 | 0 | 0 | 113.7 | ||||
| 31 | F | 33.6 | Very low | 39.3 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 83% | 0.829 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -109.5 | 113 | 165.5 | -82.9 | -91.9 | 0 | 0 | 0 | 108.7 | L29 | L29-F31 PolarHBondContact O-N 3.46Š|
| 32 | E | 33.8 | Very low | 39 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 75% | 0.748 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 107.9 | 114.9 | 161.4 | -60.9 | -152 | 164.4 | 0 | 0 | 120.6 | ||
| 33 | Y | 35.9 | Very low | 38.8 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 73% | 0.729 | 62% | 0.619 | S | S | * | * | trans | 66.9 | 127.9 | 149.3 | -76.3 | -81.9 | 0 | 0 | 0 | 123.3 | C35 | Y33-C35 VanDerWaalsContact C-N 3.32Å; Y33-C35 PolarHBondContact O-N 2.97Å | ||
| 34 | V | 38.9 | Very low | 38.4 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 67% | 0.667 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -16.8 | -171.9 | 174.2 | 0 | 0 | 0 | 0 | 115.5 | Y36 L37 | V34-Y36 VanDerWaalsContact C-N 3.34Å; V34-Y36 PolarHBondContact O-N 2.96Å; V34-L37 PolarHBondContact O-N 2.81Å |
| 35 | C | 40.2 | Very low | 38.2 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.9 | -34 | -178.5 | -136.1 | 0 | 0 | 0 | 0 | 112.3 | Y33 L37 | Y33-C35 VanDerWaalsContact C-N 3.32Å; Y33-C35 PolarHBondContact O-N 2.97Å; C35-L37 VanDerWaalsContact C-N 3.34Å; C35-L37 PolarHBondContact O-N 3.3Å |
| 36 | Y | 34.6 | Very low | 38.1 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.3 | -28.1 | 177.3 | -74.7 | -76.9 | 0 | 0 | 0 | 113.1 | V34 K38 I39 W40 | V34-Y36 VanDerWaalsContact C-N 3.34Å; V34-Y36 PolarHBondContact O-N 2.96Å; Y36-K38 VanDerWaalsContact C-N 3.34Å; Y36-K38 PolarHBondContact O-N 3.22Å; Y36-I39 PolarHBondContact O-N 3.19Å; Y36-W40 WeakPolarHBondContact O-CB 3.42Å; Y36-W40 PolarHBondContact O-N 3.45Å |
| 37 | L | 34.2 | Very low | 38.1 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.2 | -32.9 | -178.9 | -104.3 | 124.7 | 0 | 0 | 0 | 113.3 | V34 C35 R41 | V34-L37 PolarHBondContact O-N 2.81Å; C35-L37 VanDerWaalsContact C-N 3.34Å; C35-L37 PolarHBondContact O-N 3.3Å; L37-R41 VanDerWaalsContact O-CB 3.25Å; L37-R41 WeakPolarHBondContact O-CB 3.31Å; L37-R41 WeakPolarHBondContact O-CG 3.35Å; L37-R41 PolarHBondContact O-N 3.5Å |
| 38 | K | 37.1 | Very low | 37.9 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 74% | 0.735 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.6 | -44.3 | 177.2 | -74.9 | -174 | 176.5 | -175.5 | 0 | 111.8 | Y36 W40 R41 F42 | Y36-K38 VanDerWaalsContact C-N 3.34Å; Y36-K38 PolarHBondContact O-N 3.22Å; K38-W40 VanDerWaalsContact C-N 3.35Å; K38-R41 PolarHBondContact O-N 2.92Å; K38-F42 WeakPolarHBondContact O-CB 3.39Å; K38-F42 PolarHBondContact O-N 2.95Å |
| 39 | I | 40.2 | Very low | 37.5 | Very low | 86 Ų | 86 | 118.1 Ų | 118.1 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.9 | -39.3 | 176.1 | -67.7 | 165.5 | 0 | 0 | 0 | 110.7 | Y36 F42 F43 | Y36-I39 PolarHBondContact O-N 3.19Å; I39-F42 VanDerWaalsContact O-CB 3.3Å; I39-F42 WeakPolarHBondContact O-CB 3.43Å; I39-F42 PolarHBondContact O-N 3.26Å; I39-F43 HydrophobicContact CG2-CD2 3.8Å; I39-F43 HydrophobicContact CG2-CE2 3.56Å; I39-F43 WeakPolarHBondContact O-CD2 3.28Å; I39-F43 PolarHBondContact O-N 3.11Å |
| 40 | W | 38.3 | Very low | 37.6 | Very low | 128 Ų | 128 | 113 Ų | 113 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -78.7 | -30.6 | 178.4 | -79.3 | 106.2 | 0 | 0 | 0 | 113.8 | Y36 K38 F42 F43 A44 | Y36-W40 WeakPolarHBondContact O-CB 3.42Å; Y36-W40 PolarHBondContact O-N 3.45Å; K38-W40 VanDerWaalsContact C-N 3.35Å; W40-F42 VanDerWaalsContact C-N 3.26Å; W40-F42 PolarHBondContact O-N 3.32Å; W40-F43 HydrophobicContact CE3-CB 3.91Å; W40-F43 HydrophobicContact CE3-CD2 4.31Å; W40-F43 HydrophobicContact CE3-CG 4.41Å; W40-F43 HydrophobicContact CZ3-CB 4.26Å; W40-F43 PolarHBondContact O-N 2.98Å; W40-A44 VanDerWaalsContact O-CB 3.27Å; W40-A44 WeakPolarHBondContact O-CB 3.25Å; W40-A44 PolarHBondContact O-N 2.8Å |
| 41 | R | 36.8 | Very low | 37.7 | Very low | 177 Ų | 177 | 108.7 Ų | 108.7 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 165.9 | -82.1 | 177.1 | 173.8 | -165.4 | -1 | 110.6 | L37 K38 A44 F45 | L37-R41 VanDerWaalsContact O-CB 3.25Å; L37-R41 WeakPolarHBondContact O-CB 3.31Å; L37-R41 WeakPolarHBondContact O-CG 3.35Å; L37-R41 PolarHBondContact O-N 3.5Å; K38-R41 PolarHBondContact O-N 2.92Å; R41-A44 PolarHBondContact O-N 3.37Å; R41-F45 VanDerWaalsContact O-CB 3.28Å; R41-F45 WeakPolarHBondContact O-CB 3.39Å; R41-F45 PolarHBondContact O-N 2.94Å |
| 42 | F | 41.3 | Very low | 37.9 | Very low | 55 Ų | 55 | 104.6 Ų | 104.6 | 24% | 0.241 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 172.7 | 174.4 | -98 | 0 | 0 | 0 | 112.3 | K38 I39 W40 F45 I46 L319 L323 | K38-F42 WeakPolarHBondContact O-CB 3.39Å; K38-F42 PolarHBondContact O-N 2.95Å; I39-F42 VanDerWaalsContact O-CB 3.3Å; I39-F42 WeakPolarHBondContact O-CB 3.43Å; I39-F42 PolarHBondContact O-N 3.26Å; W40-F42 VanDerWaalsContact C-N 3.26Å; W40-F42 PolarHBondContact O-N 3.32Å; F42-F45 WeakPolarHBondContact O-CB 3.36Å; F42-F45 PolarHBondContact O-N 3.11Å; F42-I46 HydrophobicContact CD1-CD1 3.83Å; F42-I46 HydrophobicContact CE1-CD1 3.47Å; F42-I46 VanDerWaalsContact CE1-CD1 3.47Å; F42-I46 HydrophobicContact CE2-CD1 4.39Å; F42-I46 HydrophobicContact CG-CD1 4.44Å; F42-I46 HydrophobicContact CZ-CD1 3.78Å; F42-I46 WeakPolarHBondContact O-CG1 3.45Å; F42-I46 PolarHBondContact O-N 3.36Å; F42-L319 HydrophobicContact CD2-CD1 4.29Å; F42-L319 HydrophobicContact CE2-CD1 4.35Å; F42-L323 HydrophobicContact CE2-CD2 3.61Å; F42-L323 HydrophobicContact CE2-CG 4.42Å; F42-L323 HydrophobicContact CZ-CD2 4.12Å |
| 43 | F | 41 | Very low | 38.1 | Very low | 91 Ų | 91 | 98.6 Ų | 98.6 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.8 | -79.6 | -68.2 | 0 | 0 | 0 | 113.8 | I39 W40 F45 I46 L47 | I39-F43 HydrophobicContact CG2-CD2 3.8Å; I39-F43 HydrophobicContact CG2-CE2 3.56Å; I39-F43 WeakPolarHBondContact O-CD2 3.28Å; I39-F43 PolarHBondContact O-N 3.11Å; W40-F43 HydrophobicContact CE3-CB 3.91Å; W40-F43 HydrophobicContact CE3-CD2 4.31Å; W40-F43 HydrophobicContact CE3-CG 4.41Å; W40-F43 HydrophobicContact CZ3-CB 4.26Å; W40-F43 PolarHBondContact O-N 2.98Å; F43-F45 VanDerWaalsContact C-N 3.28Å; F43-F45 PolarHBondContact O-N 3.21Å; F43-I46 HydrophobicContact CD1-CD1 4.45Å; F43-I46 PolarHBondContact O-N 3.38Å; F43-L47 WeakPolarHBondContact O-CG 3.24Å; F43-L47 PolarHBondContact O-N 2.91Å |
| 44 | A | 39 | Very low | 38.3 | Very low | 50 Ų | 50 | 94 Ų | 94 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W40 R41 L47 M48 | W40-A44 VanDerWaalsContact O-CB 3.27Å; W40-A44 WeakPolarHBondContact O-CB 3.25Å; W40-A44 PolarHBondContact O-N 2.8Å; R41-A44 PolarHBondContact O-N 3.37Å; A44-L47 PolarHBondContact O-N 3.37Å; A44-M48 PolarHBondContact O-N 3.01Å |
| 45 | F | 41.6 | Very low | 38.1 | Very low | 112 Ų | 112 | 94.4 Ų | 94.4 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 173 | -116.4 | -92.7 | 0 | 0 | 0 | 112.5 | R41 F42 F43 L47 M48 G49 M297 F308 | R41-F45 VanDerWaalsContact O-CB 3.28Å; R41-F45 WeakPolarHBondContact O-CB 3.39Å; R41-F45 PolarHBondContact O-N 2.94Å; F42-F45 WeakPolarHBondContact O-CB 3.36Å; F42-F45 PolarHBondContact O-N 3.11Å; F43-F45 VanDerWaalsContact C-N 3.28Å; F43-F45 PolarHBondContact O-N 3.21Å; F45-L47 VanDerWaalsContact C-N 3.25Å; F45-L47 PolarHBondContact O-N 2.93Å; F45-M48 PolarHBondContact O-N 3.3Å; F45-G49 PolarHBondContact O-N 3.35Å; F45-M297 HydrophobicContact CD1-SD 4.17Å; F45-M297 HydrophobicContact CE1-SD 4.1Å; F45-F308 HydrophobicContact CE1-CD1 4.22Å; F45-F308 AromaticContact CE1-CE1 3.68Å; F45-F308 HydrophobicContact CE1-CE1 3.68Å; F45-F308 AromaticContact CZ-CE1 3.96Å; F45-F308 HydrophobicContact CZ-CE1 3.96Å |
| 46 | I | 38.8 | Very low | 37.9 | Very low | 30 Ų | 30 | 93.4 Ų | 93.4 | 15% | 0.154 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 174.2 | -70.8 | 166.4 | 0 | 0 | 0 | 110.1 | F42 F43 G50 V290 | F42-I46 HydrophobicContact CD1-CD1 3.83Å; F42-I46 HydrophobicContact CE1-CD1 3.47Å; F42-I46 VanDerWaalsContact CE1-CD1 3.47Å; F42-I46 HydrophobicContact CE2-CD1 4.39Å; F42-I46 HydrophobicContact CG-CD1 4.44Å; F42-I46 HydrophobicContact CZ-CD1 3.78Å; F42-I46 WeakPolarHBondContact O-CG1 3.45Å; F42-I46 PolarHBondContact O-N 3.36Å; F43-I46 HydrophobicContact CD1-CD1 4.45Å; F43-I46 PolarHBondContact O-N 3.38Å; I46-G50 PolarHBondContact O-N 2.96Å; I46-V290 HydrophobicContact CD1-CG2 4.43Å; I46-V290 HydrophobicContact CG2-CG2 4.17Å |
| 47 | L | 39.4 | Very low | 38.1 | Very low | 104 Ų | 104 | 89.2 Ų | 89.2 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.6 | -49.6 | 178.1 | -70.8 | 167.1 | 0 | 0 | 0 | 111.3 | F43 A44 F45 G50 W51 | F43-L47 WeakPolarHBondContact O-CG 3.24Å; F43-L47 PolarHBondContact O-N 2.91Å; A44-L47 PolarHBondContact O-N 3.37Å; F45-L47 VanDerWaalsContact C-N 3.25Å; F45-L47 PolarHBondContact O-N 2.93Å; L47-G50 CarbonylContact O-C 3.6Å; L47-G50 WeakPolarHBondContact O-CA 3.27Å; L47-G50 PolarHBondContact O-N 3.49Å; L47-W51 PolarHBondContact O-N 3.36Å |
| 48 | M | 36.6 | Very low | 38.2 | Very low | 136 Ų | 136 | 85.8 Ų | 85.8 | 67% | 0.67 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 179.2 | -76.1 | -176.4 | 75.7 | 0 | 0 | 113.5 | A44 F45 G50 W51 L52 | A44-M48 PolarHBondContact O-N 3.01Å; F45-M48 PolarHBondContact O-N 3.3Å; M48-G50 VanDerWaalsContact C-N 3.34Å; M48-W51 WeakPolarHBondContact O-CB 2.85Å; M48-W51 PolarHBondContact O-N 3.09Å; M48-L52 PolarHBondContact O-N 3.24Å |
| 49 | G | 36.1 | Very low | 38.1 | Very low | 19 Ų | 19 | 84.8 Ų | 84.8 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | F45 W51 L52 S53 | F45-G49 PolarHBondContact O-N 3.35Å; G49-W51 VanDerWaalsContact C-N 3.32Å; G49-W51 PolarHBondContact O-N 3.35Å; G49-L52 PolarHBondContact O-N 2.7Å; G49-S53 PolarHBondContact O-N 3.36Å |
| 50 | G | 36.7 | Very low | 37.9 | Very low | 8 Ų | 8 | 82.4 Ų | 82.4 | 8% | 0.082 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I46 L47 M48 L52 S53 I54 | I46-G50 PolarHBondContact O-N 2.96Å; L47-G50 CarbonylContact O-C 3.6Å; L47-G50 WeakPolarHBondContact O-CA 3.27Å; L47-G50 PolarHBondContact O-N 3.49Å; M48-G50 VanDerWaalsContact C-N 3.34Å; G50-L52 PolarHBondContact O-N 3Å; G50-S53 PolarHBondContact O-N 3.07Å; G50-S53 PolarHBondContact O-OG 3.49Å; G50-I54 WeakPolarHBondContact O-CB 3.43Å; G50-I54 WeakPolarHBondContact O-CD1 3.42Å; G50-I54 WeakPolarHBondContact O-CG1 3.28Å; G50-I54 PolarHBondContact O-N 2.85Å |
| 51 | W | 37.4 | Very low | 37.9 | Very low | 114 Ų | 114 | 79.2 Ų | 79.2 | 43% | 0.432 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 176.6 | -78.9 | 105.2 | 0 | 0 | 0 | 113.9 | C15 L47 M48 G49 I54 L55 | C15-W51 HydrophobicContact CB-CZ2 4.35Å; L47-W51 PolarHBondContact O-N 3.36Å; M48-W51 WeakPolarHBondContact O-CB 2.85Å; M48-W51 PolarHBondContact O-N 3.09Å; G49-W51 VanDerWaalsContact C-N 3.32Å; G49-W51 PolarHBondContact O-N 3.35Å; W51-I54 PolarHBondContact O-N 3.43Å; W51-L55 PolarHBondContact O-N 3.01Å |
| 52 | L | 37.1 | Very low | 37.9 | Very low | 103 Ų | 103 | 77 Ų | 77 | 54% | 0.539 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 177.6 | -78.5 | 165.2 | 0 | 0 | 0 | 111.6 | M48 G49 G50 I54 L55 S56 | M48-L52 PolarHBondContact O-N 3.24Å; G49-L52 PolarHBondContact O-N 2.7Å; G50-L52 PolarHBondContact O-N 3Å; L52-I54 VanDerWaalsContact C-N 3.35Å; L52-L55 PolarHBondContact O-N 2.95Å; L52-S56 WeakPolarHBondContact O-CB 3.31Å; L52-S56 PolarHBondContact O-N 3.2Å |
| 53 | S | 38.6 | Very low | 37.7 | Very low | 34 Ų | 34 | 82.8 Ų | 82.8 | 24% | 0.238 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 171.9 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | G49 G50 S56 F57 | G49-S53 PolarHBondContact O-N 3.36Å; G50-S53 PolarHBondContact O-N 3.07Å; G50-S53 PolarHBondContact O-OG 3.49Å; S53-S56 PolarHBondContact O-N 2.95Å; S53-F57 WeakPolarHBondContact O-CB 3.46Å; S53-F57 PolarHBondContact O-N 2.86Å |
| 54 | I | 39.6 | Very low | 37.7 | Very low | 90 Ų | 90 | 79.2 Ų | 79.2 | 46% | 0.462 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.8 | -31.9 | 177.5 | -68.8 | 162.3 | 0 | 0 | 0 | 112.2 | G50 W51 L52 F57 G58 | G50-I54 WeakPolarHBondContact O-CB 3.43Å; G50-I54 WeakPolarHBondContact O-CD1 3.42Å; G50-I54 WeakPolarHBondContact O-CG1 3.28Å; G50-I54 PolarHBondContact O-N 2.85Å; W51-I54 PolarHBondContact O-N 3.43Å; L52-I54 VanDerWaalsContact C-N 3.35Å; I54-F57 VanDerWaalsContact O-CB 3.29Å; I54-F57 WeakPolarHBondContact O-CB 3.43Å; I54-F57 PolarHBondContact O-N 3.03Å; I54-G58 PolarHBondContact O-N 2.84Å |
| 55 | L | 34.5 | Very low | 37.7 | Very low | 118 Ų | 118 | 84.5 Ų | 84.5 | 62% | 0.618 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -73.1 | -42.7 | 173.3 | -78.1 | 164.7 | 0 | 0 | 0 | 111.6 | W51 L52 F57 G58 M59 | W51-L55 PolarHBondContact O-N 3.01Å; L52-L55 PolarHBondContact O-N 2.95Å; L55-F57 PolarHBondContact O-N 3.07Å; L55-G58 PolarHBondContact O-N 3.15Å; L55-G58 VanDerWaalsContact O-N 3.15Å; L55-M59 PolarHBondContact O-N 3Å |
| 56 | S | 36 | Very low | 37.8 | Very low | 80 Ų | 80 | 82.9 Ų | 82.9 | 56% | 0.559 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -56.9 | -38.2 | 168.2 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | L52 S53 M59 S60 | L52-S56 WeakPolarHBondContact O-CB 3.31Å; L52-S56 PolarHBondContact O-N 3.2Å; S53-S56 PolarHBondContact O-N 2.95Å; S56-M59 PolarHBondContact O-N 3.38Å; S56-S60 PolarHBondContact O-N 3.44Å; S56-S60 PolarHBondContact O-OG 2.82Å |
| 57 | F | 40.8 | Very low | 38.1 | Very low | 66 Ų | 66 | 83.7 Ų | 83.7 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 173.6 | 172.6 | -101.2 | 0 | 0 | 0 | 113.7 | S53 I54 L55 M59 S60 L61 V249 I253 | S53-F57 WeakPolarHBondContact O-CB 3.46Å; S53-F57 PolarHBondContact O-N 2.86Å; I54-F57 VanDerWaalsContact O-CB 3.29Å; I54-F57 WeakPolarHBondContact O-CB 3.43Å; I54-F57 PolarHBondContact O-N 3.03Å; L55-F57 PolarHBondContact O-N 3.07Å; F57-M59 VanDerWaalsContact C-N 3.31Å; F57-M59 PolarHBondContact O-N 3.32Å; F57-S60 VanDerWaalsContact CA-OG 3.22Å; F57-S60 WeakPolarHBondContact CA-OG 3.44Å; F57-S60 PolarHBondContact O-N 2.88Å; F57-S60 PolarHBondContact O-OG 3.4Å; F57-L61 HydrophobicContact CD1-CD1 3.83Å; F57-L61 HydrophobicContact CE1-CD1 3.4Å; F57-L61 HydrophobicContact CE2-CD1 4.18Å; F57-L61 HydrophobicContact CG-CD1 4.38Å; F57-L61 HydrophobicContact CZ-CD1 3.6Å; F57-L61 HydrophobicContact CZ-CG 4.44Å; F57-L61 WeakPolarHBondContact O-CB 3.42Å; F57-L61 PolarHBondContact O-N 3.27Å; F57-V249 HydrophobicContact CD2-CG1 4.11Å; F57-I253 HydrophobicContact CE2-CD1 3.86Å; F57-I253 HydrophobicContact CE2-CG1 3.65Å; F57-I253 HydrophobicContact CZ-CG1 4.36Å |
| 58 | G | 35 | Very low | 38.4 | Very low | 32 Ų | 32 | 80.8 Ų | 80.8 | 33% | 0.33 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I54 L55 L62 | I54-G58 PolarHBondContact O-N 2.84Å; L55-G58 PolarHBondContact O-N 3.15Å; L55-G58 VanDerWaalsContact O-N 3.15Å; G58-L62 PolarHBondContact O-N 2.87Å |
| 59 | M | 35.6 | Very low | 39 | Very low | 147 Ų | 147 | 75.8 Ų | 75.8 | 72% | 0.724 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -73.9 | -39.8 | 176.8 | -70.4 | -169.3 | 166.1 | 0 | 0 | 112.7 | L55 S56 F57 L62 W63 | L55-M59 PolarHBondContact O-N 3Å; S56-M59 PolarHBondContact O-N 3.38Å; F57-M59 VanDerWaalsContact C-N 3.31Å; F57-M59 PolarHBondContact O-N 3.32Å; M59-L62 PolarHBondContact O-N 3.44Å; M59-W63 PolarHBondContact O-N 3.41Å |
| 60 | S | 36.6 | Very low | 39.8 | Very low | 37 Ų | 37 | 76.1 Ų | 76.1 | 26% | 0.259 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.1 | -33.3 | 175.1 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | S56 F57 W63 V64 | S56-S60 PolarHBondContact O-N 3.44Å; S56-S60 PolarHBondContact O-OG 2.82Å; F57-S60 VanDerWaalsContact CA-OG 3.22Å; F57-S60 WeakPolarHBondContact CA-OG 3.44Å; F57-S60 PolarHBondContact O-N 2.88Å; F57-S60 PolarHBondContact O-OG 3.4Å; S60-W63 PolarHBondContact O-N 3.34Å; S60-V64 WeakPolarHBondContact O-CG2 3.47Å; S60-V64 PolarHBondContact O-N 3.42Å |
| 61 | L | 37.1 | Very low | 40.3 | Very low | 60 Ų | 60 | 79.7 Ų | 79.7 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 169.4 | -90.5 | 161.6 | 0 | 0 | 0 | 113.1 | F57 Y65 L194 L197 | F57-L61 HydrophobicContact CD1-CD1 3.83Å; F57-L61 HydrophobicContact CE1-CD1 3.4Å; F57-L61 HydrophobicContact CE2-CD1 4.18Å; F57-L61 HydrophobicContact CG-CD1 4.38Å; F57-L61 HydrophobicContact CZ-CD1 3.6Å; F57-L61 HydrophobicContact CZ-CG 4.44Å; F57-L61 WeakPolarHBondContact O-CB 3.42Å; F57-L61 PolarHBondContact O-N 3.27Å; L61-Y65 WeakPolarHBondContact O-CB 3.36Å; L61-Y65 PolarHBondContact O-N 3.24Å; L61-L194 HydrophobicContact CD2-CD2 4.03Å; L61-L197 HydrophobicContact CD2-CD2 3.95Å |
| 62 | L | 36.3 | Very low | 41.2 | Very low | 130 Ų | 130 | 77.8 Ų | 77.8 | 68% | 0.681 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.8 | -41.9 | 176.1 | -77.3 | 167.3 | 0 | 0 | 0 | 111.6 | G58 M59 S66 | G58-L62 PolarHBondContact O-N 2.87Å; M59-L62 PolarHBondContact O-N 3.44Å; L62-S66 VanDerWaalsContact O-CB 3.28Å; L62-S66 WeakPolarHBondContact O-CB 3.32Å; L62-S66 PolarHBondContact O-N 2.89Å; L62-S66 VanDerWaalsContact O-N 3.14Å |
| 63 | W | 38.2 | Very low | 42.3 | Very low | 178 Ų | 178 | 77.3 Ų | 77.3 | 67% | 0.674 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.9 | -37.3 | 176.4 | -172 | 79.2 | 0 | 0 | 0 | 112.3 | M59 S60 S66 T67 | M59-W63 PolarHBondContact O-N 3.41Å; S60-W63 PolarHBondContact O-N 3.34Å; W63-S66 CarbonylContact O-C 3.57Å; W63-S66 WeakPolarHBondContact O-CB 3.42Å; W63-S66 PolarHBondContact O-N 2.68Å; W63-T67 HydrophobicContact CH2-CG2 4.44Å; W63-T67 HydrophobicContact CZ2-CG2 4.2Å; W63-T67 PolarHBondContact O-N 3.2Å; W63-T67 PolarHBondContact O-OG1 3.35Å |
| 64 | V | 39.8 | Very low | 43.6 | Very low | 16 Ų | 16 | 82.3 Ų | 82.3 | 10% | 0.097 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -82 | -36.6 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 114.6 | S60 S66 T67 V68 L197 | S60-V64 WeakPolarHBondContact O-CG2 3.47Å; S60-V64 PolarHBondContact O-N 3.42Å; V64-S66 PolarHBondContact O-N 3.13Å; V64-T67 VanDerWaalsContact CA-OG1 3.24Å; V64-T67 WeakPolarHBondContact CA-OG1 3.48Å; V64-T67 PolarHBondContact O-N 3.15Å; V64-T67 VanDerWaalsContact O-N 3.1Å; V64-T67 PolarHBondContact O-OG1 3.25Å; V64-V68 HydrophobicContact CG1-CG2 3.96Å; V64-V68 PolarHBondContact O-N 2.86Å; V64-L197 HydrophobicContact CB-CD1 3.67Å; V64-L197 HydrophobicContact CG1-CB 4.45Å; V64-L197 HydrophobicContact CG1-CD1 3.49Å; V64-L197 VanDerWaalsContact CG1-CD1 3.49Å; V64-L197 HydrophobicContact CG1-CG 4.43Å; V64-L197 HydrophobicContact CG2-CD1 3.59Å |
| 65 | Y | 40.1 | Very low | 44.4 | Very low | 161 Ų | 161 | 80 Ų | 80 | 63% | 0.631 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.8 | -36.1 | 168 | -173.5 | -94.9 | 0 | 0 | 0 | 110.7 | L61 G69 | L61-Y65 WeakPolarHBondContact O-CB 3.36Å; L61-Y65 PolarHBondContact O-N 3.24Å; Y65-G69 PolarHBondContact O-N 3.49Å |
| 66 | S | 44.1 | Very low | 45.9 | Very low | 77 Ų | 77 | 79.5 Ų | 79.5 | 54% | 0.538 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 171.5 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | L62 W63 V64 G70 | L62-S66 VanDerWaalsContact O-CB 3.28Å; L62-S66 WeakPolarHBondContact O-CB 3.32Å; L62-S66 PolarHBondContact O-N 2.89Å; L62-S66 VanDerWaalsContact O-N 3.14Å; W63-S66 CarbonylContact O-C 3.57Å; W63-S66 WeakPolarHBondContact O-CB 3.42Å; W63-S66 PolarHBondContact O-N 2.68Å; V64-S66 PolarHBondContact O-N 3.13Å; S66-G70 WeakPolarHBondContact O-CA 3.46Å; S66-G70 PolarHBondContact O-N 3.3Å |
| 67 | T | 45.5 | Very low | 47.6 | Very low | 47 Ų | 47 | 78.7 Ų | 78.7 | 29% | 0.288 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -78.2 | -44.3 | -177.7 | 30.3 | 0 | 0 | 0 | 0 | 114.4 | W63 V64 M71 | W63-T67 HydrophobicContact CH2-CG2 4.44Å; W63-T67 HydrophobicContact CZ2-CG2 4.2Å; W63-T67 PolarHBondContact O-N 3.2Å; W63-T67 PolarHBondContact O-OG1 3.35Å; V64-T67 VanDerWaalsContact CA-OG1 3.24Å; V64-T67 WeakPolarHBondContact CA-OG1 3.48Å; V64-T67 PolarHBondContact O-N 3.15Å; V64-T67 VanDerWaalsContact O-N 3.1Å; V64-T67 PolarHBondContact O-OG1 3.25Å; T67-M71 VanDerWaalsContact O-CB 3.24Å; T67-M71 WeakPolarHBondContact O-CB 3.34Å; T67-M71 PolarHBondContact O-N 3.31Å |
| 68 | V | 44.7 | Very low | 48.8 | Very low | 43 Ų | 43 | 77.8 Ų | 77.8 | 26% | 0.261 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -76.8 | -44.6 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | V64 K72 V105 | V64-V68 HydrophobicContact CG1-CG2 3.96Å; V64-V68 PolarHBondContact O-N 2.86Å; V68-K72 PolarHBondContact O-N 2.84Å; V68-V105 HydrophobicContact CG1-CG1 4.48Å |
| 69 | G | 49.9 | Very low | 50.5 | Low | 31 Ų | 31 | 79.4 Ų | 79.4 | 32% | 0.32 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y65 K72 N73 | Y65-G69 PolarHBondContact O-N 3.49Å; G69-K72 PolarHBondContact O-N 3.24Å; G69-N73 WeakPolarHBondContact O-CB 3.36Å; G69-N73 VanDerWaalsContact O-CG 3.26Å; G69-N73 PolarHBondContact O-N 3.3Å; G69-N73 PolarHBondContact O-ND2 3.35Å |
| 70 | G | 52 | Low | 52.3 | Low | 26 Ų | 26 | 79.6 Ų | 79.6 | 27% | 0.268 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.6 | -35.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S66 K72 N73 F74 | S66-G70 WeakPolarHBondContact O-CA 3.46Å; S66-G70 PolarHBondContact O-N 3.3Å; G70-K72 VanDerWaalsContact C-N 3.35Å; G70-K72 PolarHBondContact O-N 3.45Å; G70-N73 CarbonylContact O-C 3.58Å; G70-N73 PolarHBondContact O-N 3.32Å; G70-F74 WeakPolarHBondContact O-CA 3.33Å; G70-F74 WeakPolarHBondContact O-CB 3.25Å; G70-F74 PolarHBondContact O-N 2.87Å |
| 71 | M | 48.4 | Very low | 54.2 | Low | 84 Ų | 84 | 83.9 Ų | 83.9 | 41% | 0.414 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 173.4 | -101.7 | 164.7 | 73.4 | 0 | 0 | 111.1 | T67 F74 M75 F101 | T67-M71 VanDerWaalsContact O-CB 3.24Å; T67-M71 WeakPolarHBondContact O-CB 3.34Å; T67-M71 PolarHBondContact O-N 3.31Å; M71-F74 PolarHBondContact O-N 3.38Å; M71-M75 WeakPolarHBondContact O-CB 3Å; M71-M75 WeakPolarHBondContact O-CG 3.35Å; M71-M75 PolarHBondContact O-N 2.89Å; M71-F101 HydrophobicContact CB-CZ 4.45Å; M71-F101 HydrophobicContact CE-CE2 3.47Å; M71-F101 VanDerWaalsContact CE-CE2 3.47Å; M71-F101 HydrophobicContact CE-CZ 3.59Å |
| 72 | K | 54.6 | Low | 55.8 | Low | 73 Ų | 73 | 86 Ų | 86 | 32% | 0.317 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 176.1 | -168.7 | 173.5 | -176.4 | 171.4 | 0 | 111.7 | V68 G69 G70 R76 Y97 | V68-K72 PolarHBondContact O-N 2.84Å; G69-K72 PolarHBondContact O-N 3.24Å; G70-K72 VanDerWaalsContact C-N 3.35Å; G70-K72 PolarHBondContact O-N 3.45Å; K72-R76 WeakPolarHBondContact O-CB 3.23Å; K72-R76 WeakPolarHBondContact O-CG 3.28Å; K72-R76 PolarHBondContact O-N 3Å; K72-R76 VanDerWaalsContact O-N 3.13Å; K72-Y97 WeakPolarHBondContact CE-OH 3.4Å |
| 73 | N | 61.6 | Low | 57.7 | Low | 94 Ų | 94 | 82.6 Ų | 82.6 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 177.3 | -73.7 | -20.7 | 0 | 0 | 0 | 112.7 | G69 G70 R76 S77 | G69-N73 WeakPolarHBondContact O-CB 3.36Å; G69-N73 VanDerWaalsContact O-CG 3.26Å; G69-N73 PolarHBondContact O-N 3.3Å; G69-N73 PolarHBondContact O-ND2 3.35Å; G70-N73 CarbonylContact O-C 3.58Å; G70-N73 PolarHBondContact O-N 3.32Å; N73-R76 PolarHBondContact O-N 3.45Å; N73-S77 VanDerWaalsContact O-CB 3.3Å; N73-S77 WeakPolarHBondContact O-CB 3.42Å; N73-S77 PolarHBondContact O-N 3.21Å |
| 74 | F | 64.6 | Low | 59.6 | Low | 138 Ų | 138 | 80.7 Ų | 80.7 | 61% | 0.605 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.2 | -50.8 | 176.3 | 174 | -104 | 0 | 0 | 0 | 109.8 | G70 M71 R76 S77 V78 | G70-F74 WeakPolarHBondContact O-CA 3.33Å; G70-F74 WeakPolarHBondContact O-CB 3.25Å; G70-F74 PolarHBondContact O-N 2.87Å; M71-F74 PolarHBondContact O-N 3.38Å; F74-R76 PolarHBondContact O-N 3.39Å; F74-S77 CarbonylContact O-C 3.47Å; F74-S77 WeakPolarHBondContact O-CA 3.49Å; F74-S77 VanDerWaalsContact O-CB 3.26Å; F74-S77 WeakPolarHBondContact O-CB 3.38Å; F74-S77 PolarHBondContact O-N 3.32Å; F74-V78 HydrophobicContact CD1-CG2 4.16Å; F74-V78 HydrophobicContact CD2-CG2 4.27Å; F74-V78 HydrophobicContact CE1-CG2 3.8Å; F74-V78 HydrophobicContact CE2-CG2 3.9Å; F74-V78 HydrophobicContact CG-CG2 4.38Å; F74-V78 HydrophobicContact CZ-CG2 3.65Å; F74-V78 WeakPolarHBondContact O-CG2 3.33Å; F74-V78 PolarHBondContact O-N 2.9Å |
| 75 | M | 57.6 | Low | 61.3 | Low | 42 Ų | 42 | 87.4 Ų | 87.4 | 21% | 0.207 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 176.5 | -78.8 | -117.3 | -95.9 | 0 | 0 | 112.9 | M71 S77 V78 Y79 F101 | M71-M75 WeakPolarHBondContact O-CB 3Å; M71-M75 WeakPolarHBondContact O-CG 3.35Å; M71-M75 PolarHBondContact O-N 2.89Å; M75-S77 VanDerWaalsContact C-N 3.25Å; M75-S77 PolarHBondContact O-N 2.94Å; M75-V78 PolarHBondContact O-N 3.11Å; M75-Y79 WeakPolarHBondContact O-CB 3.43Å; M75-Y79 PolarHBondContact O-N 3.4Å; M75-F101 HydrophobicContact CE-CB 4.41Å; M75-F101 HydrophobicContact CE-CD1 3.35Å; M75-F101 HydrophobicContact CE-CD2 3.51Å; M75-F101 HydrophobicContact CE-CE1 3.22Å; M75-F101 HydrophobicContact CE-CE2 3.41Å; M75-F101 VanDerWaalsContact CE-CE2 3.41Å; M75-F101 HydrophobicContact CE-CG 3.49Å; M75-F101 VanDerWaalsContact CE-CG 3.49Å; M75-F101 HydrophobicContact CE-CZ 3.27Å |
| 76 | R | 66.2 | Low | 62.8 | Low | 107 Ų | 107 | 83.1 Ų | 83.1 | 40% | 0.404 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.3 | -31 | 169.8 | -79.1 | 178.9 | -177.2 | 171.7 | -5 | 112.7 | K72 N73 F74 R80 | K72-R76 WeakPolarHBondContact O-CB 3.23Å; K72-R76 WeakPolarHBondContact O-CG 3.28Å; K72-R76 PolarHBondContact O-N 3Å; K72-R76 VanDerWaalsContact O-N 3.13Å; N73-R76 PolarHBondContact O-N 3.45Å; F74-R76 PolarHBondContact O-N 3.39Å; R76-R80 VanDerWaalsContact O-CB 3.3Å; R76-R80 WeakPolarHBondContact O-CB 3.44Å; R76-R80 VanDerWaalsContact O-CG 3.3Å; R76-R80 WeakPolarHBondContact O-CG 3.34Å; R76-R80 PolarHBondContact O-N 3.28Å; R76-R80 PolarHBondContact O-NE 2.95Å |
| 77 | S | 70.5 | Confident | 63.9 | Low | 63 Ų | 63 | 85.3 Ų | 85.3 | 44% | 0.441 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -74.4 | -45.6 | 177 | -161.9 | 0 | 0 | 0 | 0 | 110.9 | N73 F74 M75 R80 Y81 | N73-S77 VanDerWaalsContact O-CB 3.3Å; N73-S77 WeakPolarHBondContact O-CB 3.42Å; N73-S77 PolarHBondContact O-N 3.21Å; F74-S77 CarbonylContact O-C 3.47Å; F74-S77 WeakPolarHBondContact O-CA 3.49Å; F74-S77 VanDerWaalsContact O-CB 3.26Å; F74-S77 WeakPolarHBondContact O-CB 3.38Å; F74-S77 PolarHBondContact O-N 3.32Å; M75-S77 VanDerWaalsContact C-N 3.25Å; M75-S77 PolarHBondContact O-N 2.94Å; S77-R80 PolarHBondContact O-N 3.46Å; S77-Y81 WeakPolarHBondContact O-CB 3.32Å; S77-Y81 PolarHBondContact O-N 2.73Å |
| 78 | V | 67.5 | Low | 65.3 | Low | 48 Ų | 48 | 88.7 Ų | 88.7 | 29% | 0.291 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -50.7 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | F74 M75 R80 Y81 Y82 | F74-V78 HydrophobicContact CD1-CG2 4.16Å; F74-V78 HydrophobicContact CD2-CG2 4.27Å; F74-V78 HydrophobicContact CE1-CG2 3.8Å; F74-V78 HydrophobicContact CE2-CG2 3.9Å; F74-V78 HydrophobicContact CG-CG2 4.38Å; F74-V78 HydrophobicContact CZ-CG2 3.65Å; F74-V78 WeakPolarHBondContact O-CG2 3.33Å; F74-V78 PolarHBondContact O-N 2.9Å; M75-V78 PolarHBondContact O-N 3.11Å; V78-R80 PolarHBondContact O-N 2.9Å; V78-Y81 PolarHBondContact O-N 2.82Å; V78-Y82 HydrophobicContact CG1-CD2 3.75Å; V78-Y82 HydrophobicContact CG1-CE2 3.9Å; V78-Y82 WeakPolarHBondContact O-CD2 3.37Å; V78-Y82 PolarHBondContact O-N 3.5Å |
| 79 | Y | 69 | Low | 66.3 | Low | 66 Ų | 66 | 88.8 Ų | 88.8 | 26% | 0.259 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -55.2 | -49.9 | 175.7 | 174.9 | -105.2 | 0 | 0 | 0 | 111.5 | M75 N83 L89 Y93 | M75-Y79 WeakPolarHBondContact O-CB 3.43Å; M75-Y79 PolarHBondContact O-N 3.4Å; Y79-N83 VanDerWaalsContact O-CB 3.32Å; Y79-N83 WeakPolarHBondContact O-CB 3.35Å; Y79-N83 PolarHBondContact O-N 3.5Å; Y79-N83 PolarHBondContact OH-ND2 3.22Å; Y79-L89 HydrophobicContact CD2-CB 4.16Å; Y79-L89 HydrophobicContact CE2-CB 4.49Å; Y79-Y93 HydrophobicContact CD2-CD1 4.46Å; Y79-Y93 HydrophobicContact CD2-CD2 4.01Å; Y79-Y93 AromaticContact CD2-CG 3.8Å; Y79-Y93 HydrophobicContact CD2-CG 3.8Å; Y79-Y93 HydrophobicContact CE2-CD1 4.44Å; Y79-Y93 HydrophobicContact CE2-CG 4.15Å; Y79-Y93 AromaticContact CG-CD2 4Å; Y79-Y93 HydrophobicContact CG-CD2 4Å; Y79-Y93 HydrophobicContact CG-CE2 4.42Å; Y79-Y93 HydrophobicContact CG-CG 4.19Å |
| 80 | R | 74.3 | Confident | 67.1 | Low | 150 Ų | 150 | 87.5 Ų | 87.5 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.9 | -41.4 | 177.4 | -81.5 | -175.7 | -72.5 | 164 | -1.9 | 113.1 | R76 S77 V78 N84 | R76-R80 VanDerWaalsContact O-CB 3.3Å; R76-R80 WeakPolarHBondContact O-CB 3.44Å; R76-R80 VanDerWaalsContact O-CG 3.3Å; R76-R80 WeakPolarHBondContact O-CG 3.34Å; R76-R80 PolarHBondContact O-N 3.28Å; R76-R80 PolarHBondContact O-NE 2.95Å; S77-R80 PolarHBondContact O-N 3.46Å; V78-R80 PolarHBondContact O-N 2.9Å; R80-N84 WeakPolarHBondContact O-CB 3.33Å; R80-N84 PolarHBondContact O-N 3.16Å; R80-N84 PolarHBondContact O-ND2 3.36Å; R80-N84 PolarHBondContact O-OD1 3.26Å |
| 81 | Y | 75.5 | Confident | 67.8 | Low | 128 Ų | 128 | 89.7 Ų | 89.7 | 50% | 0.502 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.3 | -53.8 | 179.8 | 179.2 | -94.8 | 0 | 0 | 0 | 110.3 | S77 V78 N84 Y85 | S77-Y81 WeakPolarHBondContact O-CB 3.32Å; S77-Y81 PolarHBondContact O-N 2.73Å; V78-Y81 PolarHBondContact O-N 2.82Å; Y81-N84 PolarHBondContact O-N 2.98Å; Y81-Y85 HydrophobicContact CD1-CD2 4.43Å; Y81-Y85 HydrophobicContact CD2-CE2 4.13Å; Y81-Y85 HydrophobicContact CE1-CD2 4.16Å; Y81-Y85 HydrophobicContact CE1-CE2 4.19Å; Y81-Y85 HydrophobicContact CE2-CD2 4.27Å; Y81-Y85 AromaticContact CE2-CE2 3.6Å; Y81-Y85 HydrophobicContact CE2-CE2 3.6Å; Y81-Y85 AromaticContact CZ-CE2 3.62Å; Y81-Y85 VanDerWaalsContact O-CD2 3.3Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.48Å; Y81-Y85 PolarHBondContact O-N 2.98Å |
| 82 | Y | 72.2 | Confident | 68.4 | Low | 103 Ų | 103 | 90.2 Ų | 90.2 | 40% | 0.404 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.9 | -36.6 | -179.8 | -79.8 | -81.2 | 0 | 0 | 0 | 113 | V78 N84 Y85 G86 F87 L89 | V78-Y82 HydrophobicContact CG1-CD2 3.75Å; V78-Y82 HydrophobicContact CG1-CE2 3.9Å; V78-Y82 WeakPolarHBondContact O-CD2 3.37Å; V78-Y82 PolarHBondContact O-N 3.5Å; Y82-N84 VanDerWaalsContact C-N 3.29Å; Y82-N84 PolarHBondContact O-N 3.22Å; Y82-Y85 CarbonylContact O-C 3.48Å; Y82-Y85 PolarHBondContact O-N 3.41Å; Y82-Y85 VanDerWaalsContact O-N 3.13Å; Y82-G86 PolarHBondContact O-N 3.13Å; Y82-F87 HydrophobicContact CD1-CB 4.41Å; Y82-F87 HydrophobicContact CD1-CD2 4.01Å; Y82-F87 HydrophobicContact CD1-CG 4.3Å; Y82-F87 PolarHBondContact O-N 3.34Å; Y82-F87 VanDerWaalsContact O-N 3.07Å; Y82-L89 HydrophobicContact CD2-CD1 3.95Å; Y82-L89 HydrophobicContact CG-CD1 3.72Å |
| 83 | N | 75.4 | Confident | 68.8 | Low | 60 Ų | 60 | 89.5 Ų | 89.5 | 32% | 0.321 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 172.9 | -113.5 | 14.7 | 0 | 0 | 0 | 111.9 | Y79 Y85 G86 F87 | Y79-N83 VanDerWaalsContact O-CB 3.32Å; Y79-N83 WeakPolarHBondContact O-CB 3.35Å; Y79-N83 PolarHBondContact O-N 3.5Å; Y79-N83 PolarHBondContact OH-ND2 3.22Å; N83-Y85 PolarHBondContact O-N 3.1Å; N83-G86 PolarHBondContact O-N 3.47Å; N83-G86 VanDerWaalsContact O-N 3.11Å; N83-F87 PolarHBondContact OD1-O 3.44Å |
| 84 | N | 77.8 | Confident | 68.8 | Low | 138 Ų | 138 | 92.6 Ų | 92.6 | 74% | 0.738 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.5 | -22.5 | 178.3 | -73.8 | -6.5 | 0 | 0 | 0 | 112.9 | R80 Y81 Y82 | R80-N84 WeakPolarHBondContact O-CB 3.33Å; R80-N84 PolarHBondContact O-N 3.16Å; R80-N84 PolarHBondContact O-ND2 3.36Å; R80-N84 PolarHBondContact O-OD1 3.26Å; Y81-N84 PolarHBondContact O-N 2.98Å; Y82-N84 VanDerWaalsContact C-N 3.29Å; Y82-N84 PolarHBondContact O-N 3.22Å |
| 85 | Y | 76.7 | Confident | 68.4 | Low | 156 Ų | 156 | 95.4 Ų | 95.4 | 61% | 0.612 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 14.2 | 174 | -75.7 | -78.8 | 0 | 0 | 0 | 113.5 | Y81 Y82 N83 | Y81-Y85 HydrophobicContact CD1-CD2 4.43Å; Y81-Y85 HydrophobicContact CD2-CE2 4.13Å; Y81-Y85 HydrophobicContact CE1-CD2 4.16Å; Y81-Y85 HydrophobicContact CE1-CE2 4.19Å; Y81-Y85 HydrophobicContact CE2-CD2 4.27Å; Y81-Y85 AromaticContact CE2-CE2 3.6Å; Y81-Y85 HydrophobicContact CE2-CE2 3.6Å; Y81-Y85 AromaticContact CZ-CE2 3.62Å; Y81-Y85 VanDerWaalsContact O-CD2 3.3Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.48Å; Y81-Y85 PolarHBondContact O-N 2.98Å; Y82-Y85 CarbonylContact O-C 3.48Å; Y82-Y85 PolarHBondContact O-N 3.41Å; Y82-Y85 VanDerWaalsContact O-N 3.13Å; N83-Y85 PolarHBondContact O-N 3.1Å |
| 86 | G | 70.7 | Confident | 68.1 | Low | 71 Ų | 71 | 97.5 Ų | 97.5 | 73% | 0.732 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 7.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y82 N83 | Y82-G86 PolarHBondContact O-N 3.13Å; N83-G86 PolarHBondContact O-N 3.47Å; N83-G86 VanDerWaalsContact O-N 3.11Å |
| 87 | F | 67.8 | Low | 67.5 | Low | 124 Ų | 124 | 95.4 Ų | 95.4 | 54% | 0.544 | 46% | 0.455 | S | S | . | . | trans | -87.8 | 106.4 | 172 | -64.4 | -86.8 | 0 | 0 | 0 | 109.9 | Y82 N83 L89 | Y82-F87 HydrophobicContact CD1-CB 4.41Å; Y82-F87 HydrophobicContact CD1-CD2 4.01Å; Y82-F87 HydrophobicContact CD1-CG 4.3Å; Y82-F87 PolarHBondContact O-N 3.34Å; Y82-F87 VanDerWaalsContact O-N 3.07Å; N83-F87 PolarHBondContact OD1-O 3.44Å; F87-L89 VanDerWaalsContact C-N 3.31Å; F87-L89 PolarHBondContact O-N 2.95Å | ||
| 88 | D | 73.6 | Confident | 66.9 | Low | 117 Ų | 117 | 98.3 Ų | 98.3 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | trans | -71.1 | 86.8 | 172.4 | -177.3 | 14 | 0 | 0 | 0 | 110.6 | G90 | D88-G90 PolarHBondContact O-N 3.36Å; D88-G90 VanDerWaalsContact OD1-CA 3.29Å; D88-G90 WeakPolarHBondContact OD1-CA 3.4Å; D88-G90 PolarHBondContact OD1-N 3.5Å | ||
| 89 | L | 66.5 | Low | 66.4 | Low | 45 Ų | 45 | 97.8 Ų | 97.8 | 24% | 0.236 | 47% | 0.469 | C | S | . | . | trans | -79.9 | 6.6 | 170.3 | -66.3 | -177.3 | 0 | 0 | 0 | 112 | Y79 Y82 F87 L92 Y93 | Y79-L89 HydrophobicContact CD2-CB 4.16Å; Y79-L89 HydrophobicContact CE2-CB 4.49Å; Y82-L89 HydrophobicContact CD2-CD1 3.95Å; Y82-L89 HydrophobicContact CG-CD1 3.72Å; F87-L89 VanDerWaalsContact C-N 3.31Å; F87-L89 PolarHBondContact O-N 2.95Å; L89-L92 HydrophobicContact CD2-CD2 3.99Å; L89-L92 PolarHBondContact O-N 2.95Å; L89-L92 VanDerWaalsContact O-N 3.16Å; L89-Y93 WeakPolarHBondContact O-CB 3.32Å; L89-Y93 PolarHBondContact O-N 2.93Å | ||
| 90 | G | 67.2 | Low | 66.1 | Low | 4 Ų | 4 | 103.8 Ų | 103.8 | 4% | 0.041 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -51.8 | -45.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D88 R94 | D88-G90 PolarHBondContact O-N 3.36Å; D88-G90 VanDerWaalsContact OD1-CA 3.29Å; D88-G90 WeakPolarHBondContact OD1-CA 3.4Å; D88-G90 PolarHBondContact OD1-N 3.5Å; G90-R94 WeakPolarHBondContact O-CB 3.39Å; G90-R94 PolarHBondContact O-N 3.23Å |
| 91 | P | 66.3 | Low | 65.5 | Low | 73 Ų | 73 | 98.1 Ų | 98.1 | 47% | 0.474 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 175.8 | -20.8 | 32.9 | 0 | 0 | 0 | 113.1 | R94 R95 | P91-R94 PolarHBondContact O-N 2.74Å; P91-R95 VanDerWaalsContact O-CB 3.28Å; P91-R95 WeakPolarHBondContact O-CB 3.41Å; P91-R95 PolarHBondContact O-N 2.83Å |
| 92 | L | 61.6 | Low | 65.2 | Low | 95 Ų | 95 | 96 Ų | 96 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.5 | -44.2 | 178.2 | -175.4 | 71.7 | 0 | 0 | 0 | 111 | L89 R95 L96 | L89-L92 HydrophobicContact CD2-CD2 3.99Å; L89-L92 PolarHBondContact O-N 2.95Å; L89-L92 VanDerWaalsContact O-N 3.16Å; L92-R95 PolarHBondContact O-N 3.45Å; L92-L96 HydrophobicContact CD1-CD1 4.1Å; L92-L96 HydrophobicContact CD1-CG 4.23Å; L92-L96 HydrophobicContact CD2-CD1 4.26Å; L92-L96 HydrophobicContact CG-CD1 3.78Å; L92-L96 HydrophobicContact CG-CG 4.26Å; L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.3Å; L92-L96 PolarHBondContact O-N 3.47Å |
| 93 | Y | 61.8 | Low | 65.1 | Low | 57 Ų | 57 | 95.6 Ų | 95.6 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | 173 | 177.4 | -97.8 | 0 | 0 | 0 | 110.2 | Y79 L89 R95 Y97 | Y79-Y93 HydrophobicContact CD2-CD1 4.46Å; Y79-Y93 HydrophobicContact CD2-CD2 4.01Å; Y79-Y93 AromaticContact CD2-CG 3.8Å; Y79-Y93 HydrophobicContact CD2-CG 3.8Å; Y79-Y93 HydrophobicContact CE2-CD1 4.44Å; Y79-Y93 HydrophobicContact CE2-CG 4.15Å; Y79-Y93 AromaticContact CG-CD2 4Å; Y79-Y93 HydrophobicContact CG-CD2 4Å; Y79-Y93 HydrophobicContact CG-CE2 4.42Å; Y79-Y93 HydrophobicContact CG-CG 4.19Å; L89-Y93 WeakPolarHBondContact O-CB 3.32Å; L89-Y93 PolarHBondContact O-N 2.93Å; Y93-R95 PolarHBondContact O-N 2.82Å; Y93-Y97 HydrophobicContact CE1-CG 4.49Å; Y93-Y97 HydrophobicContact CE2-CD2 4.07Å; Y93-Y97 AromaticContact CZ-CD2 3.96Å; Y93-Y97 WeakPolarHBondContact O-CA 3.42Å; Y93-Y97 WeakPolarHBondContact O-CB 3.1Å; Y93-Y97 PolarHBondContact O-N 3.02Å |
| 94 | R | 62.1 | Low | 64.9 | Low | 159 Ų | 159 | 97.7 Ų | 97.7 | 60% | 0.6 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 172.9 | -99.2 | -173.9 | -80 | -120.5 | -5.2 | 112.2 | G90 P91 L98 | G90-R94 WeakPolarHBondContact O-CB 3.39Å; G90-R94 PolarHBondContact O-N 3.23Å; P91-R94 PolarHBondContact O-N 2.74Å; R94-L98 HydrophobicContact CB-CD1 3.95Å; R94-L98 HydrophobicContact CG-CD1 3.65Å; R94-L98 HydrophobicContact CG-CG 4.43Å; R94-L98 WeakPolarHBondContact O-CA 3.2Å; R94-L98 WeakPolarHBondContact O-CB 3.37Å; R94-L98 VanDerWaalsContact O-CG 3.23Å; R94-L98 WeakPolarHBondContact O-CG 3.37Å; R94-L98 PolarHBondContact O-N 3.45Å |
| 95 | R | 56.4 | Low | 64.8 | Low | 197 Ų | 197 | 92.5 Ų | 92.5 | 74% | 0.743 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.2 | -40.6 | -176.2 | -164.2 | -178.8 | -71.7 | -169.3 | -2.3 | 112.4 | P91 L92 Y93 G99 | P91-R95 VanDerWaalsContact O-CB 3.28Å; P91-R95 WeakPolarHBondContact O-CB 3.41Å; P91-R95 PolarHBondContact O-N 2.83Å; L92-R95 PolarHBondContact O-N 3.45Å; Y93-R95 PolarHBondContact O-N 2.82Å; R95-G99 VanDerWaalsContact O-CA 3.25Å; R95-G99 WeakPolarHBondContact O-CA 2.82Å; R95-G99 PolarHBondContact O-N 3.03Å |
| 96 | L | 52 | Low | 65 | Low | 86 Ų | 86 | 85.1 Ų | 85.1 | 45% | 0.45 | 42% | 0.415 | S | S | . | . | I | π-helix | trans | -68.4 | -52.8 | 173.8 | -69.4 | 173.5 | 0 | 0 | 0 | 110.2 | L92 F101 | L92-L96 HydrophobicContact CD1-CD1 4.1Å; L92-L96 HydrophobicContact CD1-CG 4.23Å; L92-L96 HydrophobicContact CD2-CD1 4.26Å; L92-L96 HydrophobicContact CG-CD1 3.78Å; L92-L96 HydrophobicContact CG-CG 4.26Å; L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.3Å; L92-L96 PolarHBondContact O-N 3.47Å; L96-F101 WeakPolarHBondContact O-CA 3.46Å; L96-F101 WeakPolarHBondContact O-CB 3.31Å; L96-F101 PolarHBondContact O-N 3.49Å |
| 97 | Y | 52.7 | Low | 65.9 | Low | 63 Ų | 63 | 85.1 Ų | 85.1 | 25% | 0.247 | 40% | 0.398 | C | S | . | . | I | π-helix | trans | -69.8 | -36.6 | -175.3 | -161.6 | -88.2 | 0 | 0 | 0 | 113.6 | K72 Y93 F101 | K72-Y97 WeakPolarHBondContact CE-OH 3.4Å; Y93-Y97 HydrophobicContact CE1-CG 4.49Å; Y93-Y97 HydrophobicContact CE2-CD2 4.07Å; Y93-Y97 AromaticContact CZ-CD2 3.96Å; Y93-Y97 WeakPolarHBondContact O-CA 3.42Å; Y93-Y97 WeakPolarHBondContact O-CB 3.1Å; Y93-Y97 PolarHBondContact O-N 3.02Å; Y97-F101 HydrophobicContact CD2-CD1 4.45Å |
| 98 | L | 57 | Low | 67.1 | Low | 125 Ų | 125 | 81.9 Ų | 81.9 | 65% | 0.654 | 39% | 0.386 | S | S | * | . | I | π-helix | trans | -91 | -24.7 | 178.3 | -60.2 | 169 | 0 | 0 | 0 | 113.5 | R94 | R94-L98 HydrophobicContact CB-CD1 3.95Å; R94-L98 HydrophobicContact CG-CD1 3.65Å; R94-L98 HydrophobicContact CG-CG 4.43Å; R94-L98 WeakPolarHBondContact O-CA 3.2Å; R94-L98 WeakPolarHBondContact O-CB 3.37Å; R94-L98 VanDerWaalsContact O-CG 3.23Å; R94-L98 WeakPolarHBondContact O-CG 3.37Å; R94-L98 PolarHBondContact O-N 3.45Å |
| 99 | G | 58.3 | Low | 68.1 | Low | 36 Ų | 36 | 76.5 Ų | 76.5 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -82.7 | -89.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R95 | R95-G99 VanDerWaalsContact O-CA 3.25Å; R95-G99 WeakPolarHBondContact O-CA 2.82Å; R95-G99 PolarHBondContact O-N 3.03Å |
| 100 | Y | 61.3 | Low | 69.4 | Low | 192 Ų | 192 | 78.5 Ų | 78.5 | 75% | 0.753 | 36% | 0.364 | S | S | * | . | I | π-helix | trans | -103.8 | -28.4 | -172 | -61.9 | -75.4 | 0 | 0 | 0 | 113.8 | H102 W103 | Y100-H102 PolarHBondContact O-N 3.27Å; Y100-W103 PolarHBondContact O-N 3.09Å; Y100-W103 VanDerWaalsContact O-N 3.16Å |
| 101 | F | 63.3 | Low | 70.6 | Confident | 32 Ų | 32 | 82 Ų | 82 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.6 | -25.1 | -177.1 | -166.4 | -105.8 | 0 | 0 | 0 | 112.9 | M71 M75 L96 Y97 W103 F104 V105 | M71-F101 HydrophobicContact CB-CZ 4.45Å; M71-F101 HydrophobicContact CE-CE2 3.47Å; M71-F101 VanDerWaalsContact CE-CE2 3.47Å; M71-F101 HydrophobicContact CE-CZ 3.59Å; M75-F101 HydrophobicContact CE-CB 4.41Å; M75-F101 HydrophobicContact CE-CD1 3.35Å; M75-F101 HydrophobicContact CE-CD2 3.51Å; M75-F101 HydrophobicContact CE-CE1 3.22Å; M75-F101 HydrophobicContact CE-CE2 3.41Å; M75-F101 VanDerWaalsContact CE-CE2 3.41Å; M75-F101 HydrophobicContact CE-CG 3.49Å; M75-F101 VanDerWaalsContact CE-CG 3.49Å; M75-F101 HydrophobicContact CE-CZ 3.27Å; L96-F101 WeakPolarHBondContact O-CA 3.46Å; L96-F101 WeakPolarHBondContact O-CB 3.31Å; L96-F101 PolarHBondContact O-N 3.49Å; Y97-F101 HydrophobicContact CD2-CD1 4.45Å; F101-W103 PolarHBondContact O-N 2.88Å; F101-F104 HydrophobicContact CD2-CB 4.48Å; F101-F104 PolarHBondContact O-N 3.46Å; F101-V105 HydrophobicContact CD1-CG2 3.84Å; F101-V105 HydrophobicContact CE1-CB 4.38Å; F101-V105 HydrophobicContact CE1-CG2 3.25Å; F101-V105 HydrophobicContact CE2-CG2 4.42Å; F101-V105 HydrophobicContact CZ-CG2 3.58Å; F101-V105 PolarHBondContact O-N 2.81Å |
| 102 | H | 69.4 | Low | 71.8 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 38% | 0.384 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.2 | -25.7 | 177.9 | -168.7 | 30.8 | 0 | 0 | 0 | 113 | Y100 S106 R111 | Y100-H102 PolarHBondContact O-N 3.27Å; H102-S106 WeakPolarHBondContact O-CA 3.32Å; H102-S106 VanDerWaalsContact O-CB 3.32Å; H102-S106 WeakPolarHBondContact O-CB 3.46Å; H102-S106 PolarHBondContact O-N 3.26Å; H102-R111 PolarHBondContact CD2-NH1 3.27Å; H102-R111 PolarHBondContact NE2-NH1 3.34Å |
| 103 | W | 68.5 | Low | 73.4 | Confident | 95 Ų | 95 | 74 Ų | 74 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 172.6 | -71.6 | 90.4 | 0 | 0 | 0 | 111.9 | Y100 F101 V105 S106 R111 L114 L115 | Y100-W103 PolarHBondContact O-N 3.09Å; Y100-W103 VanDerWaalsContact O-N 3.16Å; F101-W103 PolarHBondContact O-N 2.88Å; W103-V105 VanDerWaalsContact C-N 3.29Å; W103-V105 PolarHBondContact O-N 3.23Å; W103-S106 PolarHBondContact O-N 2.94Å; W103-R111 HydrophobicContact CE3-CB 4.21Å; W103-R111 HydrophobicContact CE3-CG 4.35Å; W103-R111 HydrophobicContact CH2-CG 4.12Å; W103-R111 HydrophobicContact CZ3-CB 3.89Å; W103-R111 HydrophobicContact CZ3-CG 3.85Å; W103-L114 HydrophobicContact CH2-CD1 4.39Å; W103-L114 HydrophobicContact CZ3-CB 4.5Å; W103-L115 HydrophobicContact CE3-CD1 4.35Å; W103-L115 HydrophobicContact CE3-CD2 4.12Å; W103-L115 HydrophobicContact CE3-CG 4.09Å; W103-L115 HydrophobicContact CZ3-CG 4.46Å |
| 104 | F | 70.8 | Confident | 74.9 | Confident | 104 Ų | 104 | 74.6 Ų | 74.6 | 46% | 0.456 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.1 | -27.7 | 179 | -67.5 | -81 | 0 | 0 | 0 | 113.7 | F101 W200 | F101-F104 HydrophobicContact CD2-CB 4.48Å; F101-F104 PolarHBondContact O-N 3.46Å; F104-W200 HydrophobicContact CB-CZ2 4.36Å; F104-W200 AromaticContact CD1-CH2 3.33Å; F104-W200 HydrophobicContact CD1-CH2 3.33Å; F104-W200 AromaticContact CD1-CZ2 3.89Å; F104-W200 HydrophobicContact CD1-CZ2 3.89Å; F104-W200 AromaticContact CD1-CZ3 3.89Å; F104-W200 HydrophobicContact CD1-CZ3 3.89Å; F104-W200 AromaticContact CE1-CH2 3.73Å; F104-W200 HydrophobicContact CE1-CH2 3.73Å; F104-W200 HydrophobicContact CE1-CZ3 4.08Å; F104-W200 HydrophobicContact CG-CH2 4.24Å; F104-W200 HydrophobicContact CG-CZ2 4.46Å; F104-W200 PolarHBondContact O-NE1 3.38Å |
| 105 | V | 76.6 | Confident | 76.3 | Confident | 28 Ų | 28 | 68.2 Ų | 68.2 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 18.3 | -178.4 | -164.7 | 0 | 0 | 0 | 0 | 111.6 | V68 F101 W103 | V68-V105 HydrophobicContact CG1-CG1 4.48Å; F101-V105 HydrophobicContact CD1-CG2 3.84Å; F101-V105 HydrophobicContact CE1-CB 4.38Å; F101-V105 HydrophobicContact CE1-CG2 3.25Å; F101-V105 HydrophobicContact CE2-CG2 4.42Å; F101-V105 HydrophobicContact CZ-CG2 3.58Å; F101-V105 PolarHBondContact O-N 2.81Å; W103-V105 VanDerWaalsContact C-N 3.29Å; W103-V105 PolarHBondContact O-N 3.23Å |
| 106 | S | 81.3 | Confident | 78.2 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | trans | -66.8 | 153.8 | 175.9 | -165.6 | 0 | 0 | 0 | 0 | 109.9 | H102 W103 D108 M112 | H102-S106 WeakPolarHBondContact O-CA 3.32Å; H102-S106 VanDerWaalsContact O-CB 3.32Å; H102-S106 WeakPolarHBondContact O-CB 3.46Å; H102-S106 PolarHBondContact O-N 3.26Å; W103-S106 PolarHBondContact O-N 2.94Å; S106-D108 PolarHBondContact OG-N 2.69Å; S106-M112 WeakPolarHBondContact O-CE 3.13Å | ||
| 107 | L | 90.4 | Very high | 80.2 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 37% | 0.366 | 26% | 0.263 | S | S | . | . | trans | -122.5 | -2.1 | 167.5 | -64.7 | 178.3 | 0 | 0 | 0 | 111 | H109 P192 R193 | L107-H109 PolarHBondContact O-N 3.47Å; L107-P192 HydrophobicContact CB-CB 3.99Å; L107-R193 HydrophobicContact CD1-CG 4.29Å; L107-R193 HydrophobicContact CD2-CG 4.18Å | ||
| 108 | D | 91.1 | Very high | 81.9 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | trans | -71.5 | 125.2 | -174.4 | 173.1 | 84.1 | 0 | 0 | 0 | 110.7 | S106 K110 R111 M112 | S106-D108 PolarHBondContact OG-N 2.69Å; D108-K110 VanDerWaalsContact C-N 3.26Å; D108-K110 PolarHBondContact O-N 2.96Å; D108-K110 WeakPolarHBondContact OD2-CA 3.4Å; D108-K110 VanDerWaalsContact OD2-CB 3.32Å; D108-K110 WeakPolarHBondContact OD2-CB 3.26Å; D108-K110 PolarHBondContact OD2-N 3.22Å; D108-K110 VanDerWaalsContact OD2-N 3.12Å; D108-R111 HydrophobicContact CB-CB 4.4Å; D108-R111 HydrophobicContact CB-CG 4.49Å; D108-R111 PolarHBondContact O-N 3.29Å; D108-R111 PolarHBondContact OD2-N 2.91Å; D108-M112 WeakPolarHBondContact O-CG 2.97Å; D108-M112 PolarHBondContact O-N 3.37Å | ||
| 109 | H | 95.3 | Very high | 83.5 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.5 | -33.8 | -177.6 | 72.9 | 102.6 | 0 | 0 | 0 | 113.9 | L107 M112 G113 N177 Y178 P181 D188 L189 | L107-H109 PolarHBondContact O-N 3.47Å; H109-M112 PolarHBondContact O-N 3.36Å; H109-G113 PolarHBondContact O-N 3.08Å; H109-N177 WeakPolarHBondContact CB-O 3.39Å; H109-N177 PolarHBondContact ND1-O 3.14Å; H109-Y178 PolarHBondContact CE1-O 3.21Å; H109-Y178 PolarHBondContact ND1-O 3.19Å; H109-P181 HydrophobicContact CB-CG 4.2Å; H109-D188 VanDerWaalsContact CB-OD1 3.27Å; H109-D188 WeakPolarHBondContact CB-OD1 3.41Å; H109-D188 IonicContact CD2-OD1 3.27Å; H109-D188 IonicContact CG-OD1 3.44Å; H109-D188 PolarHBondContact N-OD1 3.36Å; H109-L189 HydrophobicContact CB-CD1 4.25Å; H109-L189 HydrophobicContact CB-CG 4.36Å |
| 110 | K | 94.5 | Very high | 85.3 | Confident | 87 Ų | 87 | 51.6 Ų | 51.6 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.9 | -46 | -178.8 | -52.5 | -177 | -166.6 | -175.4 | 0 | 110.2 | D108 G113 L114 Y178 M182 | D108-K110 VanDerWaalsContact C-N 3.26Å; D108-K110 PolarHBondContact O-N 2.96Å; D108-K110 WeakPolarHBondContact OD2-CA 3.4Å; D108-K110 VanDerWaalsContact OD2-CB 3.32Å; D108-K110 WeakPolarHBondContact OD2-CB 3.26Å; D108-K110 PolarHBondContact OD2-N 3.22Å; D108-K110 VanDerWaalsContact OD2-N 3.12Å; K110-G113 PolarHBondContact O-N 2.85Å; K110-L114 WeakPolarHBondContact O-CG 3.3Å; K110-L114 PolarHBondContact O-N 3.48Å; K110-Y178 HydrophobicContact CB-CD2 4Å; K110-Y178 HydrophobicContact CB-CE2 3.78Å; K110-Y178 HydrophobicContact CG-CE2 4.39Å; K110-Y178 WeakPolarHBondContact O-CD2 3.34Å; K110-M182 HydrophobicContact CD-CE 3.75Å; K110-M182 HydrophobicContact CG-CE 4.03Å |
| 111 | R | 91.2 | Very high | 86.7 | Confident | 78 Ų | 78 | 44.7 Ų | 44.7 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.6 | -37.9 | 175.4 | -69.5 | -174 | -170.5 | 161.1 | 6.2 | 112.6 | H102 W103 D108 G113 L114 L115 | H102-R111 PolarHBondContact CD2-NH1 3.27Å; H102-R111 PolarHBondContact NE2-NH1 3.34Å; W103-R111 HydrophobicContact CE3-CB 4.21Å; W103-R111 HydrophobicContact CE3-CG 4.35Å; W103-R111 HydrophobicContact CH2-CG 4.12Å; W103-R111 HydrophobicContact CZ3-CB 3.89Å; W103-R111 HydrophobicContact CZ3-CG 3.85Å; D108-R111 HydrophobicContact CB-CB 4.4Å; D108-R111 HydrophobicContact CB-CG 4.49Å; D108-R111 PolarHBondContact O-N 3.29Å; D108-R111 PolarHBondContact OD2-N 2.91Å; R111-G113 VanDerWaalsContact C-N 3.34Å; R111-L114 PolarHBondContact O-N 3.06Å; R111-L115 WeakPolarHBondContact O-CG 3.33Å; R111-L115 PolarHBondContact O-N 3.24Å |
| 112 | M | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 171.8 | -68.8 | -61 | 157.2 | 0 | 0 | 111 | S106 D108 H109 L114 L115 Y116 L199 | S106-M112 WeakPolarHBondContact O-CE 3.13Å; D108-M112 WeakPolarHBondContact O-CG 2.97Å; D108-M112 PolarHBondContact O-N 3.37Å; H109-M112 PolarHBondContact O-N 3.36Å; M112-L114 PolarHBondContact O-N 3.05Å; M112-L115 PolarHBondContact O-N 3.41Å; M112-Y116 VanDerWaalsContact O-CD2 3.24Å; M112-Y116 WeakPolarHBondContact O-CD2 3.37Å; M112-Y116 PolarHBondContact O-N 2.96Å; M112-L199 HydrophobicContact CB-CD1 4.31Å; M112-L199 VanDerWaalsContact O-CD1 3.24Å; M112-L199 WeakPolarHBondContact O-CD1 3.26Å; M112-L199 HydrophobicContact SD-CB 4.16Å; M112-L199 HydrophobicContact SD-CD1 3.77Å; M112-L199 HydrophobicContact SD-CD2 4.44Å; M112-L199 HydrophobicContact SD-CG 4.35Å |
| 113 | G | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.9 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | H109 K110 R111 L115 Y116 F117 G174 | H109-G113 PolarHBondContact O-N 3.08Å; K110-G113 PolarHBondContact O-N 2.85Å; R111-G113 VanDerWaalsContact C-N 3.34Å; G113-L115 PolarHBondContact O-N 3.32Å; G113-Y116 WeakPolarHBondContact O-CB 3.31Å; G113-Y116 PolarHBondContact O-N 3.45Å; G113-F117 WeakPolarHBondContact O-CD2 3.48Å; G113-F117 PolarHBondContact O-N 3.42Å; G113-G174 WeakPolarHBondContact CA-O 3.42Å; G113-G174 WeakPolarHBondContact O-CA 3.25Å |
| 114 | L | 92.2 | Very high | 90 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 36% | 0.361 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.3 | -40 | 176.5 | -69.3 | 173.8 | 0 | 0 | 0 | 113.3 | W103 K110 R111 M112 F117 V118 Y178 | W103-L114 HydrophobicContact CH2-CD1 4.39Å; W103-L114 HydrophobicContact CZ3-CB 4.5Å; K110-L114 WeakPolarHBondContact O-CG 3.3Å; K110-L114 PolarHBondContact O-N 3.48Å; R111-L114 PolarHBondContact O-N 3.06Å; M112-L114 PolarHBondContact O-N 3.05Å; L114-F117 HydrophobicContact CD2-CD2 4.43Å; L114-F117 WeakPolarHBondContact O-CB 3.45Å; L114-F117 PolarHBondContact O-N 3.38Å; L114-V118 WeakPolarHBondContact O-CG2 3.48Å; L114-V118 PolarHBondContact O-N 2.96Å; L114-V118 VanDerWaalsContact O-N 3.12Å; L114-Y178 HydrophobicContact CD1-CE2 4.49Å; L114-Y178 HydrophobicContact CD2-CE2 4.28Å; L114-Y178 HydrophobicContact CG-CD2 4.36Å; L114-Y178 HydrophobicContact CG-CE2 4.14Å |
| 115 | L | 92.8 | Very high | 91 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -38.5 | 175.2 | -73.6 | 173.2 | 0 | 0 | 0 | 111.8 | W103 R111 M112 G113 F117 V118 F119 L199 W200 | W103-L115 HydrophobicContact CE3-CD1 4.35Å; W103-L115 HydrophobicContact CE3-CD2 4.12Å; W103-L115 HydrophobicContact CE3-CG 4.09Å; W103-L115 HydrophobicContact CZ3-CG 4.46Å; R111-L115 WeakPolarHBondContact O-CG 3.33Å; R111-L115 PolarHBondContact O-N 3.24Å; M112-L115 PolarHBondContact O-N 3.41Å; G113-L115 PolarHBondContact O-N 3.32Å; L115-F117 VanDerWaalsContact C-N 3.32Å; L115-F117 PolarHBondContact O-N 3.31Å; L115-V118 PolarHBondContact O-N 2.72Å; L115-F119 WeakPolarHBondContact O-CD2 3.5Å; L115-F119 PolarHBondContact O-N 2.9Å; L115-L199 HydrophobicContact CB-CD1 3.42Å; L115-L199 VanDerWaalsContact CB-CD1 3.42Å; L115-L199 HydrophobicContact CB-CD2 4.34Å; L115-L199 HydrophobicContact CB-CG 4.45Å; L115-L199 HydrophobicContact CD1-CD1 4.22Å; L115-L199 HydrophobicContact CD1-CD2 4.23Å; L115-L199 HydrophobicContact CG-CD1 4.48Å; L115-W200 HydrophobicContact CD1-CZ2 4.26Å |
| 116 | Y | 96.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 171.4 | -85.3 | -68 | 0 | 0 | 0 | 112.5 | M112 G113 V118 F119 G120 P169 G173 N177 S198 L199 M202 | M112-Y116 VanDerWaalsContact O-CD2 3.24Å; M112-Y116 WeakPolarHBondContact O-CD2 3.37Å; M112-Y116 PolarHBondContact O-N 2.96Å; G113-Y116 WeakPolarHBondContact O-CB 3.31Å; G113-Y116 PolarHBondContact O-N 3.45Å; Y116-V118 VanDerWaalsContact C-N 3.33Å; Y116-V118 PolarHBondContact O-N 2.88Å; Y116-F119 PolarHBondContact O-N 3.29Å; Y116-G120 WeakPolarHBondContact O-CA 3.4Å; Y116-G120 PolarHBondContact O-N 2.94Å; Y116-P169 HydrophobicContact CD1-CB 4.26Å; Y116-G173 VanDerWaalsContact CB-C 3.42Å; Y116-G173 VanDerWaalsContact CD2-C 3.46Å; Y116-G173 WeakPolarHBondContact CD2-O 3.29Å; Y116-G173 VanDerWaalsContact CG-C 3.44Å; Y116-N177 VanDerWaalsContact CE2-ND2 3.3Å; Y116-N177 WeakPolarHBondContact CE2-ND2 3.49Å; Y116-S198 VanDerWaalsContact OH-C 3.23Å; Y116-S198 WeakPolarHBondContact OH-CB 3.4Å; Y116-S198 PolarHBondContact OH-OG 3.49Å; Y116-L199 HydrophobicContact CD2-CB 4.48Å; Y116-L199 HydrophobicContact CD2-CD1 3.62Å; Y116-L199 HydrophobicContact CD2-CG 4.37Å; Y116-L199 HydrophobicContact CE1-CB 4.38Å; Y116-L199 HydrophobicContact CE1-CG 4.48Å; Y116-L199 HydrophobicContact CE2-CB 3.75Å; Y116-L199 HydrophobicContact CE2-CD1 3.75Å; Y116-L199 HydrophobicContact CE2-CG 4.12Å; Y116-L199 HydrophobicContact CG-CD1 4.03Å; Y116-L199 VanDerWaalsContact OH-CA 3.24Å; Y116-L199 WeakPolarHBondContact OH-CA 3.24Å; Y116-L199 PolarHBondContact OH-N 2.74Å; Y116-M202 HydrophobicContact CE1-CG 4.12Å |
| 117 | F | 93.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 171.9 | -78.8 | -69.9 | 0 | 0 | 0 | 112 | G113 L114 L115 G120 L121 I170 F175 M490 | G113-F117 WeakPolarHBondContact O-CD2 3.48Å; G113-F117 PolarHBondContact O-N 3.42Å; L114-F117 HydrophobicContact CD2-CD2 4.43Å; L114-F117 WeakPolarHBondContact O-CB 3.45Å; L114-F117 PolarHBondContact O-N 3.38Å; L115-F117 VanDerWaalsContact C-N 3.32Å; L115-F117 PolarHBondContact O-N 3.31Å; F117-G120 PolarHBondContact O-N 3.06Å; F117-L121 VanDerWaalsContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CB 3.5Å; F117-L121 VanDerWaalsContact O-CG 3.24Å; F117-L121 WeakPolarHBondContact O-CG 3.47Å; F117-L121 PolarHBondContact O-N 2.93Å; F117-I170 HydrophobicContact CD1-CG2 3.81Å; F117-I170 HydrophobicContact CE1-CG2 3.59Å; F117-F175 AromaticContact CE1-CD2 3.81Å; F117-F175 HydrophobicContact CE1-CD2 3.81Å; F117-F175 HydrophobicContact CE1-CE1 4.07Å; F117-F175 AromaticContact CE1-CE2 3.31Å; F117-F175 HydrophobicContact CE1-CE2 3.31Å; F117-F175 HydrophobicContact CE1-CG 4.36Å; F117-F175 AromaticContact CE1-CZ 3.39Å; F117-F175 HydrophobicContact CE1-CZ 3.39Å; F117-F175 AromaticContact CZ-CD1 3.76Å; F117-F175 HydrophobicContact CZ-CD1 3.76Å; F117-F175 AromaticContact CZ-CD2 3.73Å; F117-F175 HydrophobicContact CZ-CD2 3.73Å; F117-F175 AromaticContact CZ-CE1 3.54Å; F117-F175 HydrophobicContact CZ-CE1 3.54Å; F117-F175 AromaticContact CZ-CE2 3.55Å; F117-F175 HydrophobicContact CZ-CE2 3.55Å; F117-F175 AromaticContact CZ-CG 3.8Å; F117-F175 HydrophobicContact CZ-CG 3.8Å; F117-F175 AromaticContact CZ-CZ 3.38Å; F117-F175 HydrophobicContact CZ-CZ 3.38Å; F117-M490 HydrophobicContact CE2-SD 4.39Å |
| 118 | V | 89.1 | Confident | 92.5 | Very high | 97 Ų | 97 | 36.8 Ų | 36.8 | 59% | 0.588 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -63.2 | -50.9 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | L114 L115 Y116 G120 W122 | L114-V118 WeakPolarHBondContact O-CG2 3.48Å; L114-V118 PolarHBondContact O-N 2.96Å; L114-V118 VanDerWaalsContact O-N 3.12Å; L115-V118 PolarHBondContact O-N 2.72Å; Y116-V118 VanDerWaalsContact C-N 3.33Å; Y116-V118 PolarHBondContact O-N 2.88Å; V118-G120 VanDerWaalsContact C-N 3.34Å; V118-G120 PolarHBondContact O-N 2.97Å; V118-W122 WeakPolarHBondContact O-CB 3.38Å; V118-W122 PolarHBondContact O-N 2.91Å |
| 119 | F | 90.8 | Very high | 92.6 | Very high | 32 Ų | 32 | 35.7 Ų | 35.7 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.7 | -71.3 | -58.3 | 0 | 0 | 0 | 112.1 | L115 Y116 W122 G123 L199 W200 V203 I206 | L115-F119 WeakPolarHBondContact O-CD2 3.5Å; L115-F119 PolarHBondContact O-N 2.9Å; Y116-F119 PolarHBondContact O-N 3.29Å; F119-W122 PolarHBondContact O-N 3.24Å; F119-G123 PolarHBondContact O-N 3.06Å; F119-L199 HydrophobicContact CE2-CD2 3.85Å; F119-L199 HydrophobicContact CE2-CG 4.29Å; F119-W200 HydrophobicContact CZ-CZ3 4.35Å; F119-V203 HydrophobicContact CE1-CG2 3.77Å; F119-V203 HydrophobicContact CE2-CG2 4.31Å; F119-V203 HydrophobicContact CZ-CG2 3.47Å; F119-V203 VanDerWaalsContact CZ-CG2 3.47Å; F119-I206 HydrophobicContact CB-CD1 4.37Å; F119-I206 HydrophobicContact CD1-CD1 4.05Å |
| 120 | G | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -50.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y116 F117 V118 W122 G123 G124 F165 F166 | Y116-G120 WeakPolarHBondContact O-CA 3.4Å; Y116-G120 PolarHBondContact O-N 2.94Å; F117-G120 PolarHBondContact O-N 3.06Å; V118-G120 VanDerWaalsContact C-N 3.34Å; V118-G120 PolarHBondContact O-N 2.97Å; G120-W122 VanDerWaalsContact C-N 3.3Å; G120-W122 PolarHBondContact O-N 3.17Å; G120-G123 PolarHBondContact O-N 2.93Å; G120-G124 PolarHBondContact O-N 3.22Å; G120-F165 WeakPolarHBondContact CA-O 3.39Å; G120-F166 WeakPolarHBondContact O-CD2 3.46Å |
| 121 | L | 90.4 | Very high | 92.6 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 24% | 0.241 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 177.5 | -74.1 | 172.9 | 0 | 0 | 0 | 111 | F117 G124 F125 I170 | F117-L121 VanDerWaalsContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CB 3.5Å; F117-L121 VanDerWaalsContact O-CG 3.24Å; F117-L121 WeakPolarHBondContact O-CG 3.47Å; F117-L121 PolarHBondContact O-N 2.93Å; L121-G124 PolarHBondContact O-N 2.98Å; L121-F125 VanDerWaalsContact O-CD2 3.32Å; L121-F125 WeakPolarHBondContact O-CD2 3.43Å; L121-F125 PolarHBondContact O-N 2.96Å; L121-I170 HydrophobicContact CD2-CD1 4.08Å; L121-I170 HydrophobicContact CG-CD1 4.2Å |
| 122 | W | 88.1 | Confident | 92.8 | Very high | 135 Ų | 135 | 31.8 Ų | 31.8 | 51% | 0.511 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61 | -48.5 | 176.6 | -176.7 | 46 | 0 | 0 | 0 | 112.2 | V118 F119 G120 G124 F125 I126 I206 | V118-W122 WeakPolarHBondContact O-CB 3.38Å; V118-W122 PolarHBondContact O-N 2.91Å; F119-W122 PolarHBondContact O-N 3.24Å; G120-W122 VanDerWaalsContact C-N 3.3Å; G120-W122 PolarHBondContact O-N 3.17Å; W122-G124 VanDerWaalsContact C-N 3.27Å; W122-G124 PolarHBondContact O-N 3.38Å; W122-F125 PolarHBondContact O-N 2.95Å; W122-I126 HydrophobicContact CD2-CD1 4.08Å; W122-I126 HydrophobicContact CG-CD1 4.41Å; W122-I126 HydrophobicContact CZ2-CD1 4.09Å; W122-I126 WeakPolarHBondContact O-CG1 3.35Å; W122-I126 PolarHBondContact O-N 3.18Å; W122-I206 HydrophobicContact CE3-CD1 4.13Å; W122-I206 HydrophobicContact CE3-CG2 4.13Å; W122-I206 HydrophobicContact CH2-CG2 3.72Å; W122-I206 HydrophobicContact CZ3-CB 4.22Å; W122-I206 HydrophobicContact CZ3-CD1 4.09Å; W122-I206 HydrophobicContact CZ3-CG2 3.35Å |
| 123 | G | 91.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -35.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F119 G120 I126 G127 F165 | F119-G123 PolarHBondContact O-N 3.06Å; G120-G123 PolarHBondContact O-N 2.93Å; G123-I126 PolarHBondContact O-N 3.13Å; G123-G127 PolarHBondContact O-N 3.09Å; G123-F165 WeakPolarHBondContact CA-O 3.5Å |
| 124 | G | 92.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G120 L121 W122 G127 L128 F166 | G120-G124 PolarHBondContact O-N 3.22Å; L121-G124 PolarHBondContact O-N 2.98Å; W122-G124 VanDerWaalsContact C-N 3.27Å; W122-G124 PolarHBondContact O-N 3.38Å; G124-G127 PolarHBondContact O-N 3.15Å; G124-L128 WeakPolarHBondContact O-CB 3.34Å; G124-L128 WeakPolarHBondContact O-CG 3.5Å; G124-L128 PolarHBondContact O-N 3.34Å; G124-F166 VanDerWaalsContact CA-CD2 3.46Å; G124-F166 VanDerWaalsContact CA-CG 3.46Å |
| 125 | F | 90.8 | Very high | 93 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.2 | -30.4 | 176.9 | -85.5 | -83.3 | 0 | 0 | 0 | 113.2 | L121 W122 L128 G129 F556 L559 | L121-F125 VanDerWaalsContact O-CD2 3.32Å; L121-F125 WeakPolarHBondContact O-CD2 3.43Å; L121-F125 PolarHBondContact O-N 2.96Å; W122-F125 PolarHBondContact O-N 2.95Å; F125-L128 HydrophobicContact CD1-CD1 4.42Å; F125-L128 HydrophobicContact CE1-CD1 4.38Å; F125-G129 PolarHBondContact O-N 3.38Å; F125-F556 HydrophobicContact CD1-CE1 4.09Å; F125-F556 HydrophobicContact CD1-CZ 4.03Å; F125-F556 AromaticContact CE1-CD1 3.83Å; F125-F556 HydrophobicContact CE1-CD1 3.83Å; F125-F556 HydrophobicContact CE1-CD2 4.33Å; F125-F556 AromaticContact CE1-CE1 3.63Å; F125-F556 HydrophobicContact CE1-CE1 3.63Å; F125-F556 HydrophobicContact CE1-CE2 4.16Å; F125-F556 HydrophobicContact CE1-CG 4.18Å; F125-F556 AromaticContact CE1-CZ 3.81Å; F125-F556 HydrophobicContact CE1-CZ 3.81Å; F125-F556 HydrophobicContact CZ-CD1 4.47Å; F125-L559 HydrophobicContact CD2-CD1 4.27Å; F125-L559 HydrophobicContact CE1-CD1 3.99Å; F125-L559 HydrophobicContact CE2-CD1 3.38Å; F125-L559 HydrophobicContact CE2-CD2 3.98Å; F125-L559 HydrophobicContact CE2-CG 3.68Å; F125-L559 HydrophobicContact CZ-CD1 3.21Å; F125-L559 HydrophobicContact CZ-CD2 4.36Å; F125-L559 HydrophobicContact CZ-CG 3.56Å |
| 126 | I | 93.2 | Very high | 93 | Very high | 28 Ų | 28 | 35.3 Ų | 35.3 | 14% | 0.144 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -53.3 | 167 | -68.2 | 158.4 | 0 | 0 | 0 | 109.2 | W122 G123 L128 G129 L130 A161 M209 E210 | W122-I126 HydrophobicContact CD2-CD1 4.08Å; W122-I126 HydrophobicContact CG-CD1 4.41Å; W122-I126 HydrophobicContact CZ2-CD1 4.09Å; W122-I126 WeakPolarHBondContact O-CG1 3.35Å; W122-I126 PolarHBondContact O-N 3.18Å; G123-I126 PolarHBondContact O-N 3.13Å; I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 3.31Å; I126-G129 PolarHBondContact O-N 3.21Å; I126-G129 VanDerWaalsContact O-N 3.14Å; I126-L130 HydrophobicContact CG2-CD1 4.06Å; I126-L130 HydrophobicContact CG2-CG 4.48Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.1Å; I126-L130 PolarHBondContact O-N 3.04Å; I126-A161 HydrophobicContact CG2-CB 4.32Å; I126-M209 HydrophobicContact CD1-CE 4.4Å; I126-M209 HydrophobicContact CG2-CE 4.15Å; I126-E210 VanDerWaalsContact CD1-OE1 3.31Å; I126-E210 WeakPolarHBondContact CD1-OE1 3.49Å |
| 127 | G | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.1 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G123 G124 L130 S131 H158 | G123-G127 PolarHBondContact O-N 3.09Å; G124-G127 PolarHBondContact O-N 3.15Å; G127-L130 PolarHBondContact O-N 3.25Å; G127-S131 PolarHBondContact O-N 3.12Å; G127-H158 PolarHBondContact O-ND1 2.94Å |
| 128 | L | 91.6 | Very high | 93 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -37.4 | 175.2 | -74.6 | 173.4 | 0 | 0 | 0 | 112.9 | G124 F125 I126 S131 L132 | G124-L128 WeakPolarHBondContact O-CB 3.34Å; G124-L128 WeakPolarHBondContact O-CG 3.5Å; G124-L128 PolarHBondContact O-N 3.34Å; F125-L128 HydrophobicContact CD1-CD1 4.42Å; F125-L128 HydrophobicContact CE1-CD1 4.38Å; I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 3.31Å; L128-S131 PolarHBondContact O-N 2.89Å; L128-S131 PolarHBondContact O-OG 3.12Å; L128-L132 WeakPolarHBondContact O-CB 3.32Å; L128-L132 PolarHBondContact O-N 3.26Å |
| 129 | G | 93.1 | Very high | 93.1 | Very high | 34 Ų | 34 | 31.6 Ų | 31.6 | 35% | 0.351 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | F125 I126 L132 L133 | F125-G129 PolarHBondContact O-N 3.38Å; I126-G129 PolarHBondContact O-N 3.21Å; I126-G129 VanDerWaalsContact O-N 3.14Å; G129-L132 PolarHBondContact O-N 3.43Å; G129-L133 PolarHBondContact O-N 2.89Å; G129-L133 VanDerWaalsContact O-N 3.14Å |
| 130 | L | 96 | Very high | 93.2 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.6 | -62.3 | 173.7 | 0 | 0 | 0 | 111.8 | I126 G127 L132 L133 I134 L154 N157 H158 L213 | I126-L130 HydrophobicContact CG2-CD1 4.06Å; I126-L130 HydrophobicContact CG2-CG 4.48Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.1Å; I126-L130 PolarHBondContact O-N 3.04Å; G127-L130 PolarHBondContact O-N 3.25Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.31Å; L130-L133 PolarHBondContact O-N 3.25Å; L130-I134 WeakPolarHBondContact O-CG1 3.5Å; L130-I134 PolarHBondContact O-N 2.8Å; L130-I134 VanDerWaalsContact O-N 3.09Å; L130-L154 HydrophobicContact CD2-CD2 3.4Å; L130-N157 HydrophobicContact CD1-CB 3.75Å; L130-H158 HydrophobicContact CB-CB 3.91Å; L130-H158 HydrophobicContact CD1-CB 4.41Å; L130-L213 HydrophobicContact CD2-CD2 4.13Å |
| 131 | S | 95.5 | Very high | 93 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 19% | 0.189 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.1 | -36.4 | 176.7 | 70.2 | 0 | 0 | 0 | 0 | 112.6 | G127 L128 I134 R135 | G127-S131 PolarHBondContact O-N 3.12Å; L128-S131 PolarHBondContact O-N 2.89Å; L128-S131 PolarHBondContact O-OG 3.12Å; S131-I134 PolarHBondContact O-N 2.88Å; S131-R135 WeakPolarHBondContact O-CG 3.32Å; S131-R135 PolarHBondContact O-N 3.16Å |
| 132 | L | 94.3 | Very high | 92.9 | Very high | 47 Ų | 47 | 37.7 Ų | 37.7 | 25% | 0.246 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 174.2 | -177.9 | 60.7 | 0 | 0 | 0 | 111 | L128 G129 L130 I134 R135 L136 V549 V552 | L128-L132 WeakPolarHBondContact O-CB 3.32Å; L128-L132 PolarHBondContact O-N 3.26Å; G129-L132 PolarHBondContact O-N 3.43Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.31Å; L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 2.92Å; L132-R135 PolarHBondContact O-N 3.29Å; L132-R135 VanDerWaalsContact O-N 3.17Å; L132-L136 HydrophobicContact CD1-CD1 4.23Å; L132-L136 HydrophobicContact CD1-CG 4.13Å; L132-L136 HydrophobicContact CG-CD1 3.93Å; L132-L136 HydrophobicContact CG-CG 4.26Å; L132-L136 WeakPolarHBondContact O-CB 3.24Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.29Å; L132-L136 PolarHBondContact O-N 2.79Å; L132-V549 HydrophobicContact CD1-CG2 4.07Å; L132-V552 HydrophobicContact CB-CG2 4.16Å; L132-V552 HydrophobicContact CD1-CG2 4.36Å; L132-V552 HydrophobicContact CD2-CG1 4.46Å |
| 133 | L | 94.7 | Very high | 92.4 | Very high | 68 Ų | 68 | 36.3 Ų | 36.3 | 36% | 0.356 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 177.6 | -69.6 | 173.6 | 0 | 0 | 0 | 112.2 | G129 L130 L136 N137 L145 L154 | G129-L133 PolarHBondContact O-N 2.89Å; G129-L133 VanDerWaalsContact O-N 3.14Å; L130-L133 PolarHBondContact O-N 3.25Å; L133-L136 PolarHBondContact O-N 2.78Å; L133-N137 WeakPolarHBondContact O-CB 3.4Å; L133-N137 PolarHBondContact O-N 3.39Å; L133-L145 HydrophobicContact CD2-CD2 4.43Å; L133-L154 HydrophobicContact CB-CD1 3.72Å; L133-L154 HydrophobicContact CD1-CD1 4.33Å; L133-L154 HydrophobicContact CD1-CD2 3.9Å |
| 134 | I | 95.7 | Very high | 91.6 | Very high | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -47.9 | 173.6 | -67 | 163.8 | 0 | 0 | 0 | 110.1 | L130 S131 L132 N137 L138 Y151 L154 V155 H158 | L130-I134 WeakPolarHBondContact O-CG1 3.5Å; L130-I134 PolarHBondContact O-N 2.8Å; L130-I134 VanDerWaalsContact O-N 3.09Å; S131-I134 PolarHBondContact O-N 2.88Å; L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 2.92Å; I134-N137 PolarHBondContact O-N 2.81Å; I134-L138 HydrophobicContact CG2-CD1 4.06Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 3.19Å; I134-L138 VanDerWaalsContact O-N 3.09Å; I134-Y151 HydrophobicContact CB-CE2 4.47Å; I134-Y151 HydrophobicContact CG1-CE2 4.46Å; I134-Y151 HydrophobicContact CG2-CE2 3.92Å; I134-L154 HydrophobicContact CD1-CB 4.27Å; I134-L154 HydrophobicContact CG1-CB 3.96Å; I134-V155 HydrophobicContact CD1-CB 4.47Å; I134-V155 HydrophobicContact CD1-CG2 3.85Å; I134-V155 HydrophobicContact CG1-CG2 4.19Å; I134-H158 HydrophobicContact CD1-CB 4.12Å |
| 135 | R | 94.5 | Very high | 91.5 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 6% | 0.057 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.6 | -38.5 | -180 | -72.4 | -48.1 | -41.8 | 173.9 | 4.5 | 113.3 | S131 L132 L138 C139 N541 S545 | S131-R135 WeakPolarHBondContact O-CG 3.32Å; S131-R135 PolarHBondContact O-N 3.16Å; L132-R135 PolarHBondContact O-N 3.29Å; L132-R135 VanDerWaalsContact O-N 3.17Å; R135-L138 CarbonylContact O-C 3.59Å; R135-L138 PolarHBondContact O-N 3.22Å; R135-C139 PolarHBondContact O-N 3.19Å; R135-C139 VanDerWaalsContact O-N 3.15Å; R135-C139 PolarHBondContact O-SG 3.34Å; R135-C139 VanDerWaalsContact O-SG 3.36Å; R135-N541 PolarHBondContact NH1-OD1 3.41Å; R135-N541 VanDerWaalsContact NH1-OD1 3.14Å; R135-N541 PolarHBondContact NH2-O 2.94Å; R135-N541 PolarHBondContact NH2-OD1 2.98Å; R135-S545 PolarHBondContact NE-OG 3.39Å; R135-S545 VanDerWaalsContact NH2-N 3.16Å; R135-S545 PolarHBondContact NH2-OG 3.42Å; R135-S545 PolarHBondContact O-OG 3.11Å |
| 136 | L | 92.8 | Very high | 91.6 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.3 | -40.2 | 175.7 | -70.3 | 175.2 | 0 | 0 | 0 | 111.6 | L132 L133 L138 C139 L145 | L132-L136 HydrophobicContact CD1-CD1 4.23Å; L132-L136 HydrophobicContact CD1-CG 4.13Å; L132-L136 HydrophobicContact CG-CD1 3.93Å; L132-L136 HydrophobicContact CG-CG 4.26Å; L132-L136 WeakPolarHBondContact O-CB 3.24Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.29Å; L132-L136 PolarHBondContact O-N 2.79Å; L133-L136 PolarHBondContact O-N 2.78Å; L136-L138 PolarHBondContact O-N 2.72Å; L136-C139 WeakPolarHBondContact O-CB 3.49Å; L136-C139 PolarHBondContact O-N 3.25Å; L136-L145 HydrophobicContact CB-CD2 3.84Å |
| 137 | N | 93.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 174.3 | -168.5 | 83.1 | 0 | 0 | 0 | 111.7 | L133 I134 C139 Y143 L145 V146 Y151 S531 | L133-N137 WeakPolarHBondContact O-CB 3.4Å; L133-N137 PolarHBondContact O-N 3.39Å; I134-N137 PolarHBondContact O-N 2.81Å; N137-C139 VanDerWaalsContact C-N 3.34Å; N137-Y143 PolarHBondContact ND2-O 2.88Å; N137-L145 HydrophobicContact CB-CB 4.28Å; N137-L145 PolarHBondContact OD1-N 2.94Å; N137-V146 HydrophobicContact CB-CG2 4.38Å; N137-V146 PolarHBondContact OD1-N 3.22Å; N137-Y151 HydrophobicContact CB-CD2 4.42Å; N137-S531 PolarHBondContact ND2-O 3.36Å; N137-S531 VanDerWaalsContact ND2-O 3.13Å |
| 138 | L | 94.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.6 | 178.5 | -64.2 | 172.9 | 0 | 0 | 0 | 113.4 | I134 R135 L136 D140 Y151 W461 Y533 N541 | I134-L138 HydrophobicContact CG2-CD1 4.06Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 3.19Å; I134-L138 VanDerWaalsContact O-N 3.09Å; R135-L138 CarbonylContact O-C 3.59Å; R135-L138 PolarHBondContact O-N 3.22Å; L136-L138 PolarHBondContact O-N 2.72Å; L138-D140 PolarHBondContact O-N 3.07Å; L138-D140 VanDerWaalsContact O-N 3.12Å; L138-Y151 HydrophobicContact CG-CE2 4.42Å; L138-W461 HydrophobicContact CD1-CH2 4.03Å; L138-W461 HydrophobicContact CD1-CZ2 4.04Å; L138-Y533 HydrophobicContact CB-CE1 4.39Å; L138-Y533 HydrophobicContact CD2-CD1 4Å; L138-Y533 HydrophobicContact CD2-CE1 4.32Å; L138-Y533 WeakPolarHBondContact O-CE1 3.4Å; L138-Y533 PolarHBondContact O-OH 3.5Å; L138-N541 PolarHBondContact O-ND2 3Å |
| 139 | C | 92.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 30% | 0.297 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.2 | -178.2 | -80.8 | 0 | 0 | 0 | 0 | 114.3 | R135 L136 N137 Y538 S545 | R135-C139 PolarHBondContact O-N 3.19Å; R135-C139 VanDerWaalsContact O-N 3.15Å; R135-C139 PolarHBondContact O-SG 3.34Å; R135-C139 VanDerWaalsContact O-SG 3.36Å; L136-C139 WeakPolarHBondContact O-CB 3.49Å; L136-C139 PolarHBondContact O-N 3.25Å; N137-C139 VanDerWaalsContact C-N 3.34Å; C139-Y538 WeakPolarHBondContact O-CE2 3.36Å; C139-S545 PolarHBondContact SG-OG 3.24Å |
| 140 | D | 92.2 | Very high | 91.5 | Very high | 69 Ų | 69 | 55.7 Ų | 55.7 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -138.8 | 145.7 | -178.8 | -172.4 | 42.4 | 0 | 0 | 0 | 109.6 | L138 Y142 Y143 Y538 | L138-D140 PolarHBondContact O-N 3.07Å; L138-D140 VanDerWaalsContact O-N 3.12Å; D140-Y142 PolarHBondContact O-N 3.41Å; D140-Y143 HydrophobicContact CB-CG 4.26Å; D140-Y143 WeakPolarHBondContact O-CB 3.42Å; D140-Y143 PolarHBondContact O-N 3.11Å; D140-Y538 HydrophobicContact CB-CE2 4.34Å; D140-Y538 WeakPolarHBondContact OD1-CE2 3.17Å |
| 141 | P | 90.9 | Very high | 91.5 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 135.4 | -174.7 | -20.7 | 38.5 | 0 | 0 | 0 | 109.1 | Y143 Y533 Q535 Y538 | P141-Y143 PolarHBondContact O-N 3.46Å; P141-Y533 HydrophobicContact CB-CD2 4.49Å; P141-Y533 HydrophobicContact CB-CE2 4.13Å; P141-Y533 WeakPolarHBondContact CB-O 2.9Å; P141-Y533 HydrophobicContact CG-CD2 4.47Å; P141-Y533 HydrophobicContact CG-CE2 3.71Å; P141-Q535 VanDerWaalsContact CB-OE1 3.29Å; P141-Y538 VanDerWaalsContact CD-CD2 3.49Å; P141-Y538 HydrophobicContact CG-CD2 3.79Å; P141-Y538 HydrophobicContact CG-CG 4.31Å |
| 142 | Y | 88.1 | Confident | 91.4 | Very high | 128 Ų | 128 | 56 Ų | 56 | 50% | 0.502 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 13.8 | -175.5 | -44.4 | -79.9 | 0 | 0 | 0 | 115.2 | D140 C532 D534 | D140-Y142 PolarHBondContact O-N 3.41Å; Y142-C532 HydrophobicContact CD1-CB 3.67Å; Y142-C532 HydrophobicContact CE1-CB 4.21Å; Y142-C532 HydrophobicContact CG-CB 4.37Å; Y142-D534 PolarHBondContact OH-OD1 3.2Å |
| 143 | Y | 77.1 | Confident | 91.4 | Very high | 105 Ų | 105 | 57 Ų | 57 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | trans | -68.6 | 133.6 | 174.5 | -176.5 | -112.8 | 0 | 0 | 0 | 110.8 | N137 D140 P141 L145 | N137-Y143 PolarHBondContact ND2-O 2.88Å; D140-Y143 HydrophobicContact CB-CG 4.26Å; D140-Y143 WeakPolarHBondContact O-CB 3.42Å; D140-Y143 PolarHBondContact O-N 3.11Å; P141-Y143 PolarHBondContact O-N 3.46Å; Y143-L145 HydrophobicContact CD1-CB 4.28Å; Y143-L145 HydrophobicContact CE1-CB 3.75Å; Y143-L145 HydrophobicContact CE1-CD1 4.5Å | ||
| 144 | K | 76 | Confident | 91.5 | Very high | 161 Ų | 161 | 54.1 Ų | 54.1 | 70% | 0.7 | 27% | 0.272 | S | S | * | . | trans | -119.4 | 77.4 | -176.3 | -64 | -178.5 | -174.8 | 178.3 | 0 | 109.4 | V146 | K144-V146 VanDerWaalsContact C-N 3.26Š| ||
| 145 | L | 90.5 | Very high | 91.5 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 41% | 0.408 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -64.1 | -41.1 | 165.8 | -177.8 | 65.6 | 0 | 0 | 0 | 109.9 | L133 L136 N137 Y143 | L133-L145 HydrophobicContact CD2-CD2 4.43Å; L136-L145 HydrophobicContact CB-CD2 3.84Å; N137-L145 HydrophobicContact CB-CB 4.28Å; N137-L145 PolarHBondContact OD1-N 2.94Å; Y143-L145 HydrophobicContact CD1-CB 4.28Å; Y143-L145 HydrophobicContact CE1-CB 3.75Å; Y143-L145 HydrophobicContact CE1-CD1 4.5Å |
| 146 | V | 92.5 | Very high | 91.6 | Very high | 31 Ų | 31 | 53.7 Ų | 53.7 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -124.4 | 159.6 | 177.6 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | N137 K144 V150 L154 | N137-V146 HydrophobicContact CB-CG2 4.38Å; N137-V146 PolarHBondContact OD1-N 3.22Å; K144-V146 VanDerWaalsContact C-N 3.26Å; V146-V150 HydrophobicContact CB-CB 4.12Å; V146-V150 HydrophobicContact CB-CG1 3.83Å; V146-V150 HydrophobicContact CG1-CG1 4.03Å; V146-V150 HydrophobicContact CG2-CG1 4.38Å; V146-L154 HydrophobicContact CG1-CD1 4.49Å; V146-L154 HydrophobicContact CG2-CD1 4.16Å |
| 147 | S | 93.2 | Very high | 91.8 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 43% | 0.427 | 26% | 0.256 | S | S | . | . | trans | -66.2 | 161.7 | 172.4 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | D149 V150 Y151 | S147-D149 VanDerWaalsContact C-N 3.28Å; S147-D149 PolarHBondContact O-N 3.05Å; S147-V150 PolarHBondContact O-N 2.68Å; S147-V150 VanDerWaalsContact OG-CG2 3.28Å; S147-V150 WeakPolarHBondContact OG-CG2 3.19Å; S147-V150 PolarHBondContact OG-N 3.37Å; S147-Y151 PolarHBondContact O-N 2.85Å | ||
| 148 | V | 92.6 | Very high | 91.9 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 42% | 0.424 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 179.3 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | Y151 N152 | V148-Y151 WeakPolarHBondContact O-CB 3.29Å; V148-Y151 PolarHBondContact O-N 2.76Å; V148-N152 PolarHBondContact O-N 3.16Å; V148-N152 VanDerWaalsContact O-N 3.13Å; V148-N152 PolarHBondContact O-ND2 2.91Å |
| 149 | D | 91.3 | Very high | 92 | Very high | 100 Ų | 100 | 52.2 Ų | 52.2 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 177.4 | -55.8 | -45.1 | 0 | 0 | 0 | 111.3 | S147 Y151 N152 Y153 | S147-D149 VanDerWaalsContact C-N 3.28Å; S147-D149 PolarHBondContact O-N 3.05Å; D149-Y151 VanDerWaalsContact C-N 3.3Å; D149-Y151 PolarHBondContact O-N 2.99Å; D149-N152 WeakPolarHBondContact O-CB 3.33Å; D149-N152 PolarHBondContact O-N 3.41Å; D149-N152 VanDerWaalsContact O-N 3.09Å; D149-Y153 HydrophobicContact CB-CE1 4.4Å; D149-Y153 HydrophobicContact CB-CE2 4.33Å; D149-Y153 WeakPolarHBondContact O-CD1 2.9Å; D149-Y153 WeakPolarHBondContact O-CE1 3.49Å; D149-Y153 VanDerWaalsContact O-CG 3.22Å; D149-Y153 PolarHBondContact O-N 3.2Å |
| 150 | V | 93.4 | Very high | 92.2 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 33% | 0.327 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | V146 S147 N152 Y153 L154 | V146-V150 HydrophobicContact CB-CB 4.12Å; V146-V150 HydrophobicContact CB-CG1 3.83Å; V146-V150 HydrophobicContact CG1-CG1 4.03Å; V146-V150 HydrophobicContact CG2-CG1 4.38Å; S147-V150 PolarHBondContact O-N 2.68Å; S147-V150 VanDerWaalsContact OG-CG2 3.28Å; S147-V150 WeakPolarHBondContact OG-CG2 3.19Å; S147-V150 PolarHBondContact OG-N 3.37Å; V150-N152 VanDerWaalsContact C-N 3.3Å; V150-N152 PolarHBondContact O-N 2.79Å; V150-Y153 HydrophobicContact CG2-CD2 4.35Å; V150-Y153 WeakPolarHBondContact O-CA 3.31Å; V150-Y153 WeakPolarHBondContact O-CB 3.29Å; V150-Y153 PolarHBondContact O-N 3.14Å; V150-L154 HydrophobicContact CG1-CD1 4.48Å; V150-L154 HydrophobicContact CG1-CG 4.35Å; V150-L154 VanDerWaalsContact O-CG 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.43Å; V150-L154 PolarHBondContact O-N 2.67Å |
| 151 | Y | 95.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55 | -45.6 | 174 | 178.7 | -93.8 | 0 | 0 | 0 | 112 | I134 N137 L138 S147 V148 D149 Y153 L154 V155 V530 | I134-Y151 HydrophobicContact CB-CE2 4.47Å; I134-Y151 HydrophobicContact CG1-CE2 4.46Å; I134-Y151 HydrophobicContact CG2-CE2 3.92Å; N137-Y151 HydrophobicContact CB-CD2 4.42Å; L138-Y151 HydrophobicContact CG-CE2 4.42Å; S147-Y151 PolarHBondContact O-N 2.85Å; V148-Y151 WeakPolarHBondContact O-CB 3.29Å; V148-Y151 PolarHBondContact O-N 2.76Å; D149-Y151 VanDerWaalsContact C-N 3.3Å; D149-Y151 PolarHBondContact O-N 2.99Å; Y151-Y153 VanDerWaalsContact C-N 3.3Å; Y151-Y153 PolarHBondContact O-N 3.22Å; Y151-L154 WeakPolarHBondContact O-CB 3.1Å; Y151-L154 PolarHBondContact O-N 2.64Å; Y151-V155 HydrophobicContact CD1-CG2 4.1Å; Y151-V155 HydrophobicContact CE1-CG2 3.71Å; Y151-V155 HydrophobicContact CE2-CG2 4.43Å; Y151-V155 WeakPolarHBondContact O-CG2 3.26Å; Y151-V155 PolarHBondContact O-N 3.22Å; Y151-V530 VanDerWaalsContact CE1-C 3.42Å; Y151-V530 VanDerWaalsContact CE1-O 3.28Å; Y151-V530 WeakPolarHBondContact CE1-O 3.25Å; Y151-V530 VanDerWaalsContact CZ-O 3.27Å; Y151-V530 PolarHBondContact OH-O 2.86Å |
| 152 | N | 94.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 19% | 0.193 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66 | -32.1 | 176.7 | -71 | -30.4 | 0 | 0 | 0 | 112.6 | V148 D149 V150 T156 R529 | V148-N152 PolarHBondContact O-N 3.16Å; V148-N152 VanDerWaalsContact O-N 3.13Å; V148-N152 PolarHBondContact O-ND2 2.91Å; D149-N152 WeakPolarHBondContact O-CB 3.33Å; D149-N152 PolarHBondContact O-N 3.41Å; D149-N152 VanDerWaalsContact O-N 3.09Å; V150-N152 VanDerWaalsContact C-N 3.3Å; V150-N152 PolarHBondContact O-N 2.79Å; N152-T156 WeakPolarHBondContact O-CB 3.26Å; N152-T156 PolarHBondContact O-N 3.01Å; N152-T156 PolarHBondContact O-OG1 3.09Å; N152-R529 PolarHBondContact OD1-O 2.61Å |
| 153 | Y | 94.8 | Very high | 93.1 | Very high | 68 Ų | 68 | 42.4 Ų | 42.4 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 173.4 | -53.8 | -16.4 | 0 | 0 | 0 | 111.3 | D149 V150 Y151 N157 C217 | D149-Y153 HydrophobicContact CB-CE1 4.4Å; D149-Y153 HydrophobicContact CB-CE2 4.33Å; D149-Y153 WeakPolarHBondContact O-CD1 2.9Å; D149-Y153 WeakPolarHBondContact O-CE1 3.49Å; D149-Y153 VanDerWaalsContact O-CG 3.22Å; D149-Y153 PolarHBondContact O-N 3.2Å; V150-Y153 HydrophobicContact CG2-CD2 4.35Å; V150-Y153 WeakPolarHBondContact O-CA 3.31Å; V150-Y153 WeakPolarHBondContact O-CB 3.29Å; V150-Y153 PolarHBondContact O-N 3.14Å; Y151-Y153 VanDerWaalsContact C-N 3.3Å; Y151-Y153 PolarHBondContact O-N 3.22Å; Y153-N157 WeakPolarHBondContact O-CB 3.41Å; Y153-N157 PolarHBondContact O-N 3.45Å; Y153-N157 PolarHBondContact O-ND2 3.1Å; Y153-C217 WeakPolarHBondContact CA-O 3.01Å; Y153-C217 VanDerWaalsContact CD1-N 3.33Å |
| 154 | L | 95.2 | Very high | 94 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -48.3 | 176 | -61.9 | 176.4 | 0 | 0 | 0 | 111 | L130 L133 I134 V146 V150 Y151 T156 N157 H158 | L130-L154 HydrophobicContact CD2-CD2 3.4Å; L133-L154 HydrophobicContact CB-CD1 3.72Å; L133-L154 HydrophobicContact CD1-CD1 4.33Å; L133-L154 HydrophobicContact CD1-CD2 3.9Å; I134-L154 HydrophobicContact CD1-CB 4.27Å; I134-L154 HydrophobicContact CG1-CB 3.96Å; V146-L154 HydrophobicContact CG1-CD1 4.49Å; V146-L154 HydrophobicContact CG2-CD1 4.16Å; V150-L154 HydrophobicContact CG1-CD1 4.48Å; V150-L154 HydrophobicContact CG1-CG 4.35Å; V150-L154 VanDerWaalsContact O-CG 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.43Å; V150-L154 PolarHBondContact O-N 2.67Å; Y151-L154 WeakPolarHBondContact O-CB 3.1Å; Y151-L154 PolarHBondContact O-N 2.64Å; L154-T156 VanDerWaalsContact C-N 3.34Å; L154-T156 PolarHBondContact O-N 2.85Å; L154-N157 PolarHBondContact O-N 3.09Å; L154-H158 WeakPolarHBondContact O-CB 3.48Å; L154-H158 PolarHBondContact O-N 3.07Å |
| 155 | V | 96.6 | Very high | 95 | Very high | 26 Ų | 26 | 30.6 Ų | 30.6 | 16% | 0.158 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | -179.8 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | I134 Y151 G159 R529 | I134-V155 HydrophobicContact CD1-CB 4.47Å; I134-V155 HydrophobicContact CD1-CG2 3.85Å; I134-V155 HydrophobicContact CG1-CG2 4.19Å; Y151-V155 HydrophobicContact CD1-CG2 4.1Å; Y151-V155 HydrophobicContact CE1-CG2 3.71Å; Y151-V155 HydrophobicContact CE2-CG2 4.43Å; Y151-V155 WeakPolarHBondContact O-CG2 3.26Å; Y151-V155 PolarHBondContact O-N 3.22Å; V155-G159 PolarHBondContact O-N 3.23Å; V155-R529 HydrophobicContact CG1-CG 4.13Å |
| 156 | T | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.3 | -54 | 178.5 | -58 | 0 | 0 | 0 | 0 | 111.2 | N152 L154 G159 V160 C217 G220 L240 | N152-T156 WeakPolarHBondContact O-CB 3.26Å; N152-T156 PolarHBondContact O-N 3.01Å; N152-T156 PolarHBondContact O-OG1 3.09Å; L154-T156 VanDerWaalsContact C-N 3.34Å; L154-T156 PolarHBondContact O-N 2.85Å; T156-G159 PolarHBondContact O-N 3.18Å; T156-V160 WeakPolarHBondContact O-CG2 3.45Å; T156-V160 PolarHBondContact O-N 3.48Å; T156-C217 WeakPolarHBondContact CB-O 3.4Å; T156-C217 WeakPolarHBondContact CG2-O 3Å; T156-C217 PolarHBondContact OG1-O 2.85Å; T156-G220 WeakPolarHBondContact OG1-CA 3.38Å; T156-G220 PolarHBondContact OG1-N 2.91Å; T156-L240 HydrophobicContact CG2-CD2 3.73Å |
| 157 | N | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.1 | -28.5 | -176.2 | -75.1 | -75.3 | 0 | 0 | 0 | 112.9 | L130 Y153 L154 V160 A161 L213 | L130-N157 HydrophobicContact CD1-CB 3.75Å; Y153-N157 WeakPolarHBondContact O-CB 3.41Å; Y153-N157 PolarHBondContact O-N 3.45Å; Y153-N157 PolarHBondContact O-ND2 3.1Å; L154-N157 PolarHBondContact O-N 3.09Å; N157-V160 PolarHBondContact O-N 3.47Å; N157-A161 WeakPolarHBondContact O-CB 3.41Å; N157-A161 PolarHBondContact O-N 3.22Å; N157-L213 HydrophobicContact CB-CD1 4.17Å |
| 158 | H | 96.2 | Very high | 95.7 | Very high | 26 Ų | 26 | 23.6 Ų | 23.6 | 12% | 0.12 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.3 | -51.3 | 172.7 | 168.8 | 64.5 | 0 | 0 | 0 | 111 | G127 L130 I134 L154 V160 A161 M162 H468 | G127-H158 PolarHBondContact O-ND1 2.94Å; L130-H158 HydrophobicContact CB-CB 3.91Å; L130-H158 HydrophobicContact CD1-CB 4.41Å; I134-H158 HydrophobicContact CD1-CB 4.12Å; L154-H158 WeakPolarHBondContact O-CB 3.48Å; L154-H158 PolarHBondContact O-N 3.07Å; H158-V160 PolarHBondContact O-N 3.17Å; H158-A161 PolarHBondContact O-N 3.49Å; H158-M162 VanDerWaalsContact CE1-CG 3.49Å; H158-M162 WeakPolarHBondContact CE1-CG 3.21Å; H158-M162 WeakPolarHBondContact O-CB 3.3Å; H158-M162 VanDerWaalsContact O-CG 3.24Å; H158-M162 WeakPolarHBondContact O-CG 3.41Å; H158-M162 PolarHBondContact O-N 2.85Å; H158-H468 AromaticContact NE2-NE2 3.87Å |
| 159 | G | 96.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 20.6 Ų | 20.6 | 11% | 0.113 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | V155 T156 M162 I163 | V155-G159 PolarHBondContact O-N 3.23Å; T156-G159 PolarHBondContact O-N 3.18Å; G159-M162 PolarHBondContact O-N 3.06Å; G159-I163 WeakPolarHBondContact O-CB 3.03Å; G159-I163 WeakPolarHBondContact O-CG1 3.27Å; G159-I163 PolarHBondContact O-N 2.9Å; G159-I163 VanDerWaalsContact O-N 3.1Å |
| 160 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 179.3 | 170.7 | 0 | 0 | 0 | 0 | 111.9 | T156 N157 H158 M162 I163 F164 F165 M209 W221 L240 L244 | T156-V160 WeakPolarHBondContact O-CG2 3.45Å; T156-V160 PolarHBondContact O-N 3.48Å; N157-V160 PolarHBondContact O-N 3.47Å; H158-V160 PolarHBondContact O-N 3.17Å; V160-M162 PolarHBondContact O-N 3.02Å; V160-I163 PolarHBondContact O-N 2.91Å; V160-F164 HydrophobicContact CG1-CD2 4.2Å; V160-F164 PolarHBondContact O-N 2.93Å; V160-F165 HydrophobicContact CG1-CD2 4.08Å; V160-F165 HydrophobicContact CG1-CE2 3.75Å; V160-M209 HydrophobicContact CG1-CG 4.21Å; V160-M209 HydrophobicContact CG1-SD 4.14Å; V160-W221 HydrophobicContact CG2-CB 3.97Å; V160-L240 HydrophobicContact CB-CD1 4.47Å; V160-L240 HydrophobicContact CG1-CD1 3.98Å; V160-L240 HydrophobicContact CG2-CD1 4.18Å; V160-L240 HydrophobicContact CG2-CD2 4.42Å; V160-L244 HydrophobicContact CG1-CD2 4Å |
| 161 | A | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -60 | -47.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I126 N157 H158 I163 F165 F166 M209 | I126-A161 HydrophobicContact CG2-CB 4.32Å; N157-A161 WeakPolarHBondContact O-CB 3.41Å; N157-A161 PolarHBondContact O-N 3.22Å; H158-A161 PolarHBondContact O-N 3.49Å; A161-I163 PolarHBondContact O-N 3.35Å; A161-F165 CarbonylContact O-C 3.59Å; A161-F165 VanDerWaalsContact O-C 3.27Å; A161-F165 VanDerWaalsContact O-CA 3.32Å; A161-F165 WeakPolarHBondContact O-CA 3.45Å; A161-F165 WeakPolarHBondContact O-CB 3.39Å; A161-F165 PolarHBondContact O-N 3.46Å; A161-F166 PolarHBondContact O-N 3.35Å; A161-M209 HydrophobicContact CB-CE 4.41Å; A161-M209 HydrophobicContact CB-SD 4.03Å |
| 162 | M | 96.9 | Very high | 96.4 | Very high | 36 Ų | 36 | 13.7 Ų | 13.7 | 18% | 0.177 | 7% | 0.069 | C | C | . | . | I | π-helix | trans | -68.2 | -37.3 | -176.9 | -67.9 | -62.7 | -77.4 | 0 | 0 | 113 | H158 G159 V160 F166 L167 | H158-M162 VanDerWaalsContact CE1-CG 3.49Å; H158-M162 WeakPolarHBondContact CE1-CG 3.21Å; H158-M162 WeakPolarHBondContact O-CB 3.3Å; H158-M162 VanDerWaalsContact O-CG 3.24Å; H158-M162 WeakPolarHBondContact O-CG 3.41Å; H158-M162 PolarHBondContact O-N 2.85Å; G159-M162 PolarHBondContact O-N 3.06Å; V160-M162 PolarHBondContact O-N 3.02Å; M162-F166 HydrophobicContact CE-CD1 3.69Å; M162-F166 HydrophobicContact CE-CE1 3.87Å; M162-F166 WeakPolarHBondContact O-CB 3.48Å; M162-F166 HydrophobicContact SD-CD1 3.83Å; M162-F166 HydrophobicContact SD-CE1 4.48Å; M162-L167 WeakPolarHBondContact O-CG 3.25Å; M162-L167 PolarHBondContact O-N 3.49Å |
| 163 | I | 96.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 12.3 Ų | 12.3 | 4% | 0.041 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -77.9 | -64.2 | -179.8 | -65.5 | 168.9 | 0 | 0 | 0 | 110.1 | G159 V160 A161 M168 W221 E331 L335 F467 | G159-I163 WeakPolarHBondContact O-CB 3.03Å; G159-I163 WeakPolarHBondContact O-CG1 3.27Å; G159-I163 PolarHBondContact O-N 2.9Å; G159-I163 VanDerWaalsContact O-N 3.1Å; V160-I163 PolarHBondContact O-N 2.91Å; A161-I163 PolarHBondContact O-N 3.35Å; I163-M168 WeakPolarHBondContact O-CB 3.32Å; I163-M168 PolarHBondContact O-N 3.31Å; I163-M168 VanDerWaalsContact O-N 3.11Å; I163-W221 HydrophobicContact CD1-CE3 4.03Å; I163-W221 HydrophobicContact CD1-CH2 4.46Å; I163-W221 HydrophobicContact CD1-CZ3 3.98Å; I163-E331 HydrophobicContact CG2-CG 4.12Å; I163-L335 HydrophobicContact CG2-CD1 4.31Å; I163-F467 HydrophobicContact CD1-CZ 4.21Å |
| 164 | F | 97 | Very high | 96.6 | Very high | 18 Ų | 18 | 9 Ų | 9 | 8% | 0.079 | 5% | 0.05 | C | C | . | . | I | π-helix | trans | -87.8 | -21 | -166.2 | -63.3 | -74.8 | 0 | 0 | 0 | 114.1 | V160 P169 L244 L291 F327 | V160-F164 HydrophobicContact CG1-CD2 4.2Å; V160-F164 PolarHBondContact O-N 2.93Å; F164-P169 VanDerWaalsContact O-CD 3.25Å; F164-P169 WeakPolarHBondContact O-CD 3.3Å; F164-P169 VanDerWaalsContact O-CG 3.23Å; F164-P169 WeakPolarHBondContact O-CG 3.35Å; F164-L244 HydrophobicContact CB-CD2 4.46Å; F164-L244 HydrophobicContact CD1-CD2 4.35Å; F164-L244 HydrophobicContact CD2-CD2 3.39Å; F164-L244 HydrophobicContact CE1-CD2 4.47Å; F164-L244 HydrophobicContact CE2-CD2 3.55Å; F164-L244 HydrophobicContact CG-CD2 3.82Å; F164-L244 HydrophobicContact CZ-CD2 4.09Å; F164-L291 HydrophobicContact CZ-CD2 4.36Å; F164-F327 HydrophobicContact CE1-CE1 4.48Å; F164-F327 AromaticContact CE1-CZ 3.78Å; F164-F327 HydrophobicContact CE1-CZ 3.78Å; F164-F327 AromaticContact CZ-CE1 3.94Å; F164-F327 HydrophobicContact CZ-CE1 3.94Å; F164-F327 AromaticContact CZ-CZ 3.69Å; F164-F327 HydrophobicContact CZ-CZ 3.69Å |
| 165 | F | 96.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 0% | 0.004 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -118.1 | -2.7 | -174.2 | -59.7 | -73.6 | 0 | 0 | 0 | 114.2 | G120 G123 V160 A161 M202 S205 I206 M209 S243 | G120-F165 WeakPolarHBondContact CA-O 3.39Å; G123-F165 WeakPolarHBondContact CA-O 3.5Å; V160-F165 HydrophobicContact CG1-CD2 4.08Å; V160-F165 HydrophobicContact CG1-CE2 3.75Å; A161-F165 CarbonylContact O-C 3.59Å; A161-F165 VanDerWaalsContact O-C 3.27Å; A161-F165 VanDerWaalsContact O-CA 3.32Å; A161-F165 WeakPolarHBondContact O-CA 3.45Å; A161-F165 WeakPolarHBondContact O-CB 3.39Å; A161-F165 PolarHBondContact O-N 3.46Å; F165-M202 HydrophobicContact CD1-CE 3.48Å; F165-M202 VanDerWaalsContact CD1-CE 3.48Å; F165-M202 HydrophobicContact CE1-CE 3.69Å; F165-S205 VanDerWaalsContact CE1-OG 3.25Å; F165-S205 WeakPolarHBondContact CE1-OG 3.28Å; F165-S205 WeakPolarHBondContact CZ-OG 3.39Å; F165-I206 HydrophobicContact CD1-CB 4.36Å; F165-I206 HydrophobicContact CD1-CD1 4.08Å; F165-I206 HydrophobicContact CD1-CG1 3.2Å; F165-I206 HydrophobicContact CE1-CB 4.29Å; F165-I206 HydrophobicContact CE1-CG1 3.44Å; F165-I206 VanDerWaalsContact CE1-CG1 3.44Å; F165-I206 HydrophobicContact CG-CG1 4.12Å; F165-M209 HydrophobicContact CD2-CE 4.44Å; F165-M209 HydrophobicContact CD2-CG 4.38Å; F165-M209 HydrophobicContact CD2-SD 3.25Å; F165-M209 WeakPolarHBondContact CD2-SD 3.24Å; F165-M209 HydrophobicContact CE2-CB 3.98Å; F165-M209 HydrophobicContact CE2-CG 4Å; F165-M209 HydrophobicContact CE2-SD 3.48Å; F165-M209 WeakPolarHBondContact CE2-SD 3.36Å; F165-M209 HydrophobicContact CG-SD 4.05Å; F165-M209 HydrophobicContact CZ-CB 4.21Å; F165-M209 HydrophobicContact CZ-SD 4.43Å; F165-S243 WeakPolarHBondContact CZ-OG 3.1Å |
| 166 | F | 96.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 7.4 Ų | 7.4 | 4% | 0.035 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -123.5 | -75.5 | 175.5 | 174.5 | -132.6 | 0 | 0 | 0 | 112.8 | G120 G124 A161 M162 M168 P169 I170 Y476 M479 | G120-F166 WeakPolarHBondContact O-CD2 3.46Å; G124-F166 VanDerWaalsContact CA-CD2 3.46Å; G124-F166 VanDerWaalsContact CA-CG 3.46Å; A161-F166 PolarHBondContact O-N 3.35Å; M162-F166 HydrophobicContact CE-CD1 3.69Å; M162-F166 HydrophobicContact CE-CE1 3.87Å; M162-F166 WeakPolarHBondContact O-CB 3.48Å; M162-F166 HydrophobicContact SD-CD1 3.83Å; M162-F166 HydrophobicContact SD-CE1 4.48Å; F166-M168 PolarHBondContact O-N 3.3Å; F166-P169 WeakPolarHBondContact O-CD 3.44Å; F166-I170 HydrophobicContact CD2-CD1 3.52Å; F166-I170 HydrophobicContact CD2-CG1 4.45Å; F166-I170 HydrophobicContact CE2-CD1 3.4Å; F166-I170 WeakPolarHBondContact O-CB 3.29Å; F166-I170 WeakPolarHBondContact O-CG1 3.15Å; F166-I170 PolarHBondContact O-N 2.65Å; F166-I170 VanDerWaalsContact O-N 3.08Å; F166-Y476 HydrophobicContact CE1-CD2 4.03Å; F166-Y476 AromaticContact CZ-CD2 3.78Å; F166-Y476 HydrophobicContact CZ-CD2 3.78Å; F166-Y476 HydrophobicContact CZ-CE2 4.33Å; F166-M479 HydrophobicContact CE2-CE 4.22Å; F166-M479 HydrophobicContact CE2-SD 3.53Å; F166-M479 VanDerWaalsContact CE2-SD 3.53Å; F166-M479 HydrophobicContact CZ-CE 3.86Å; F166-M479 HydrophobicContact CZ-SD 3.54Å; F166-M479 VanDerWaalsContact CZ-SD 3.54Å |
| 167 | L | 96.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 7.5 Ų | 7.5 | 3% | 0.031 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -64.1 | -47.3 | -172.8 | -69.6 | 176.5 | 0 | 0 | 0 | 111.2 | M162 I170 L171 L335 L471 | M162-L167 WeakPolarHBondContact O-CG 3.25Å; M162-L167 PolarHBondContact O-N 3.49Å; L167-I170 PolarHBondContact O-N 2.95Å; L167-L171 HydrophobicContact CB-CD1 4.42Å; L167-L171 HydrophobicContact CD2-CD1 4.4Å; L167-L171 VanDerWaalsContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CB 3.5Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.22Å; L167-L335 HydrophobicContact CB-CD1 4.45Å; L167-L335 HydrophobicContact CB-CD2 3.87Å; L167-L335 HydrophobicContact CD1-CD1 4.18Å; L167-L471 HydrophobicContact CD1-CB 4.3Å |
| 168 | M | 96.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 8.2 Ų | 8.2 | 4% | 0.044 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -63.1 | -51.3 | -178.8 | -176.1 | 61.1 | 176.1 | 0 | 0 | 112.4 | I163 F166 I170 M172 G173 S251 L284 V334 L335 | I163-M168 WeakPolarHBondContact O-CB 3.32Å; I163-M168 PolarHBondContact O-N 3.31Å; I163-M168 VanDerWaalsContact O-N 3.11Å; F166-M168 PolarHBondContact O-N 3.3Å; M168-I170 VanDerWaalsContact C-N 3.33Å; M168-I170 PolarHBondContact O-N 2.99Å; M168-M172 HydrophobicContact CE-CB 4.03Å; M168-M172 HydrophobicContact CE-CG 3.99Å; M168-M172 VanDerWaalsContact O-CB 3.22Å; M168-M172 WeakPolarHBondContact O-CB 3.36Å; M168-M172 PolarHBondContact O-N 3.34Å; M168-M172 HydrophobicContact SD-CB 3.8Å; M168-M172 HydrophobicContact SD-CG 4.36Å; M168-G173 PolarHBondContact O-N 3.05Å; M168-S251 WeakPolarHBondContact CE-OG 3.18Å; M168-L284 HydrophobicContact CE-CD1 3.48Å; M168-L284 VanDerWaalsContact CE-CD1 3.48Å; M168-L284 HydrophobicContact CE-CD2 3.48Å; M168-L284 VanDerWaalsContact CE-CD2 3.48Å; M168-L284 HydrophobicContact CE-CG 4.1Å; M168-V334 HydrophobicContact CE-CG1 3.85Å; M168-V334 HydrophobicContact SD-CG1 3.58Å; M168-V334 VanDerWaalsContact SD-CG1 3.58Å; M168-L335 HydrophobicContact CB-CD2 3.9Å; M168-L335 HydrophobicContact SD-CD2 4.27Å |
| 169 | P | 97.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 7.2 Ų | 7.2 | 4% | 0.039 | 4% | 0.039 | C | C | . | . | I | π-helix | trans | -61 | -36.5 | 176.5 | -27.6 | 37.9 | 0 | 0 | 0 | 113.8 | Y116 F164 F166 G173 G174 M202 | Y116-P169 HydrophobicContact CD1-CB 4.26Å; F164-P169 VanDerWaalsContact O-CD 3.25Å; F164-P169 WeakPolarHBondContact O-CD 3.3Å; F164-P169 VanDerWaalsContact O-CG 3.23Å; F164-P169 WeakPolarHBondContact O-CG 3.35Å; F166-P169 WeakPolarHBondContact O-CD 3.44Å; P169-G173 CarbonylContact O-C 3.5Å; P169-G173 VanDerWaalsContact O-C 3.24Å; P169-G173 WeakPolarHBondContact O-CA 3.4Å; P169-G173 PolarHBondContact O-N 3.12Å; P169-G174 PolarHBondContact O-N 2.94Å; P169-M202 HydrophobicContact CG-CE 3.8Å |
| 170 | I | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -77.1 | -53.3 | -178.5 | -64.5 | 179.4 | 0 | 0 | 0 | 111.6 | F117 L121 F166 L167 M168 G174 F175 M479 | F117-I170 HydrophobicContact CD1-CG2 3.81Å; F117-I170 HydrophobicContact CE1-CG2 3.59Å; L121-I170 HydrophobicContact CD2-CD1 4.08Å; L121-I170 HydrophobicContact CG-CD1 4.2Å; F166-I170 HydrophobicContact CD2-CD1 3.52Å; F166-I170 HydrophobicContact CD2-CG1 4.45Å; F166-I170 HydrophobicContact CE2-CD1 3.4Å; F166-I170 WeakPolarHBondContact O-CB 3.29Å; F166-I170 WeakPolarHBondContact O-CG1 3.15Å; F166-I170 PolarHBondContact O-N 2.65Å; F166-I170 VanDerWaalsContact O-N 3.08Å; L167-I170 PolarHBondContact O-N 2.95Å; M168-I170 VanDerWaalsContact C-N 3.33Å; M168-I170 PolarHBondContact O-N 2.99Å; I170-G174 VanDerWaalsContact O-CA 3.29Å; I170-G174 WeakPolarHBondContact O-CA 3.29Å; I170-G174 PolarHBondContact O-N 3.01Å; I170-G174 VanDerWaalsContact O-N 3.11Å; I170-F175 HydrophobicContact CG2-CD2 3.91Å; I170-F175 HydrophobicContact CG2-CE2 3.65Å; I170-F175 WeakPolarHBondContact O-CD2 2.95Å; I170-F175 PolarHBondContact O-N 3.18Å; I170-M479 HydrophobicContact CB-CG 4.43Å; I170-M479 HydrophobicContact CB-SD 4.39Å; I170-M479 HydrophobicContact CD1-SD 3.55Å; I170-M479 VanDerWaalsContact CD1-SD 3.55Å; I170-M479 HydrophobicContact CG2-CG 3.55Å; I170-M479 HydrophobicContact CG2-SD 3.95Å |
| 171 | L | 96.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 1% | 0.01 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -69.6 | -40.6 | -173.6 | -66.8 | 172.6 | 0 | 0 | 0 | 111.8 | L167 Y277 L335 M479 M482 | L167-L171 HydrophobicContact CB-CD1 4.42Å; L167-L171 HydrophobicContact CD2-CD1 4.4Å; L167-L171 VanDerWaalsContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CB 3.5Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.22Å; L171-Y277 WeakPolarHBondContact O-CE1 3.41Å; L171-Y277 PolarHBondContact O-OH 2.85Å; L171-Y277 VanDerWaalsContact O-OH 3.05Å; L171-L335 WeakPolarHBondContact CD1-O 3.43Å; L171-M479 HydrophobicContact CD2-CB 3.97Å; L171-M482 HydrophobicContact CD2-SD 3.66Å |
| 172 | M | 96.3 | Very high | 96.8 | Very high | 14 Ų | 14 | 8.9 Ų | 8.9 | 7% | 0.069 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -94.4 | -52.9 | -178.6 | -160.7 | 61.4 | -174 | 0 | 0 | 112.1 | M168 G176 F258 Y277 T280 S281 L284 | M168-M172 HydrophobicContact CE-CB 4.03Å; M168-M172 HydrophobicContact CE-CG 3.99Å; M168-M172 VanDerWaalsContact O-CB 3.22Å; M168-M172 WeakPolarHBondContact O-CB 3.36Å; M168-M172 PolarHBondContact O-N 3.34Å; M168-M172 HydrophobicContact SD-CB 3.8Å; M168-M172 HydrophobicContact SD-CG 4.36Å; M172-G176 VanDerWaalsContact O-CA 3.25Å; M172-G176 WeakPolarHBondContact O-CA 3.37Å; M172-G176 PolarHBondContact O-N 3.26Å; M172-F258 HydrophobicContact CE-CD2 3.27Å; M172-F258 HydrophobicContact CE-CE2 3.49Å; M172-F258 VanDerWaalsContact CE-CE2 3.49Å; M172-F258 HydrophobicContact CE-CG 4.33Å; M172-F258 HydrophobicContact SD-CD2 4.41Å; M172-F258 HydrophobicContact SD-CE2 4.11Å; M172-Y277 HydrophobicContact CE-CD1 4.04Å; M172-Y277 HydrophobicContact SD-CD1 3.6Å; M172-Y277 HydrophobicContact SD-CE1 3.83Å; M172-T280 HydrophobicContact CE-CG2 3.97Å; M172-T280 HydrophobicContact SD-CG2 3.53Å; M172-T280 VanDerWaalsContact SD-CG2 3.53Å; M172-S281 WeakPolarHBondContact CE-OG 3.47Å; M172-L284 HydrophobicContact CE-CD1 4.3Å; M172-L284 HydrophobicContact CG-CD1 4.45Å |
| 173 | G | 96.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 9.2 Ų | 9.2 | 7% | 0.072 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -71.3 | -47.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y116 M168 P169 N177 | Y116-G173 VanDerWaalsContact CB-C 3.42Å; Y116-G173 VanDerWaalsContact CD2-C 3.46Å; Y116-G173 WeakPolarHBondContact CD2-O 3.29Å; Y116-G173 VanDerWaalsContact CG-C 3.44Å; M168-G173 PolarHBondContact O-N 3.05Å; P169-G173 CarbonylContact O-C 3.5Å; P169-G173 VanDerWaalsContact O-C 3.24Å; P169-G173 WeakPolarHBondContact O-CA 3.4Å; P169-G173 PolarHBondContact O-N 3.12Å; G173-N177 WeakPolarHBondContact O-CB 3.25Å; G173-N177 PolarHBondContact O-N 3.35Å; G173-N177 PolarHBondContact O-ND2 3.43Å |
| 174 | G | 96.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -74.1 | -72.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G113 P169 I170 G176 N177 Y178 | G113-G174 WeakPolarHBondContact CA-O 3.42Å; G113-G174 WeakPolarHBondContact O-CA 3.25Å; P169-G174 PolarHBondContact O-N 2.94Å; I170-G174 VanDerWaalsContact O-CA 3.29Å; I170-G174 WeakPolarHBondContact O-CA 3.29Å; I170-G174 PolarHBondContact O-N 3.01Å; I170-G174 VanDerWaalsContact O-N 3.11Å; G174-G176 PolarHBondContact O-N 3.43Å; G174-N177 PolarHBondContact O-N 2.85Å; G174-Y178 WeakPolarHBondContact O-CB 3.33Å; G174-Y178 PolarHBondContact O-N 3.32Å |
| 175 | F | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | I | π-helix | trans | -63.3 | -40.2 | -178.1 | -71.6 | -74 | 0 | 0 | 0 | 112.6 | F117 I170 Y178 F179 Y277 M479 M482 L483 W486 M490 | F117-F175 AromaticContact CE1-CD2 3.81Å; F117-F175 HydrophobicContact CE1-CD2 3.81Å; F117-F175 HydrophobicContact CE1-CE1 4.07Å; F117-F175 AromaticContact CE1-CE2 3.31Å; F117-F175 HydrophobicContact CE1-CE2 3.31Å; F117-F175 HydrophobicContact CE1-CG 4.36Å; F117-F175 AromaticContact CE1-CZ 3.39Å; F117-F175 HydrophobicContact CE1-CZ 3.39Å; F117-F175 AromaticContact CZ-CD1 3.76Å; F117-F175 HydrophobicContact CZ-CD1 3.76Å; F117-F175 AromaticContact CZ-CD2 3.73Å; F117-F175 HydrophobicContact CZ-CD2 3.73Å; F117-F175 AromaticContact CZ-CE1 3.54Å; F117-F175 HydrophobicContact CZ-CE1 3.54Å; F117-F175 AromaticContact CZ-CE2 3.55Å; F117-F175 HydrophobicContact CZ-CE2 3.55Å; F117-F175 AromaticContact CZ-CG 3.8Å; F117-F175 HydrophobicContact CZ-CG 3.8Å; F117-F175 AromaticContact CZ-CZ 3.38Å; F117-F175 HydrophobicContact CZ-CZ 3.38Å; I170-F175 HydrophobicContact CG2-CD2 3.91Å; I170-F175 HydrophobicContact CG2-CE2 3.65Å; I170-F175 WeakPolarHBondContact O-CD2 2.95Å; I170-F175 PolarHBondContact O-N 3.18Å; F175-Y178 PolarHBondContact O-N 3.26Å; F175-F179 HydrophobicContact CB-CD2 4.31Å; F175-F179 AromaticContact CD1-CD2 3.78Å; F175-F179 HydrophobicContact CD1-CD2 3.78Å; F175-F179 AromaticContact CD1-CE2 3.5Å; F175-F179 HydrophobicContact CD1-CE2 3.5Å; F175-F179 HydrophobicContact CE1-CE2 4.02Å; F175-F179 WeakPolarHBondContact O-CB 3.29Å; F175-F179 WeakPolarHBondContact O-CD2 3.49Å; F175-F179 PolarHBondContact O-N 3.45Å; F175-Y277 VanDerWaalsContact CB-OH 3.25Å; F175-Y277 WeakPolarHBondContact CB-OH 3.3Å; F175-M479 HydrophobicContact CE2-CG 4.37Å; F175-M482 HydrophobicContact CB-SD 3.98Å; F175-M482 HydrophobicContact CD1-CB 4.01Å; F175-M482 HydrophobicContact CD1-CG 3.6Å; F175-M482 HydrophobicContact CD1-SD 4.07Å; F175-M482 HydrophobicContact CD2-CB 4.05Å; F175-M482 HydrophobicContact CD2-CG 3.86Å; F175-M482 HydrophobicContact CD2-SD 3.41Å; F175-M482 WeakPolarHBondContact CD2-SD 3.49Å; F175-M482 HydrophobicContact CE1-CB 3.58Å; F175-M482 HydrophobicContact CE1-CG 3.72Å; F175-M482 HydrophobicContact CE2-CB 3.57Å; F175-M482 HydrophobicContact CE2-CG 3.92Å; F175-M482 HydrophobicContact CE2-SD 3.9Å; F175-M482 HydrophobicContact CG-CB 4.28Å; F175-M482 HydrophobicContact CG-CG 3.73Å; F175-M482 HydrophobicContact CG-SD 3.54Å; F175-M482 VanDerWaalsContact CG-SD 3.54Å; F175-M482 HydrophobicContact CZ-CB 3.39Å; F175-M482 HydrophobicContact CZ-CG 3.92Å; F175-M482 HydrophobicContact CZ-SD 4.5Å; F175-L483 HydrophobicContact CZ-CB 4.18Å; F175-W486 HydrophobicContact CD1-CE3 4.19Å; F175-W486 HydrophobicContact CE1-CE3 4.29Å; F175-M490 HydrophobicContact CE1-CE 4.41Å |
| 176 | G | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -62.2 | -47.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | M172 G174 L180 F258 Y277 | M172-G176 VanDerWaalsContact O-CA 3.25Å; M172-G176 WeakPolarHBondContact O-CA 3.37Å; M172-G176 PolarHBondContact O-N 3.26Å; G174-G176 PolarHBondContact O-N 3.43Å; G176-L180 WeakPolarHBondContact O-CB 3.48Å; G176-L180 PolarHBondContact O-N 3.25Å; G176-F258 VanDerWaalsContact C-CZ 3.41Å; G176-Y277 VanDerWaalsContact CA-CZ 3.41Å; G176-Y277 PolarHBondContact N-OH 3.12Å; G176-Y277 VanDerWaalsContact N-OH 3.14Å |
| 177 | N | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 176.4 | -80.6 | -72.5 | 0 | 0 | 0 | 112.3 | H109 Y116 G173 G174 P181 L189 N195 | H109-N177 WeakPolarHBondContact CB-O 3.39Å; H109-N177 PolarHBondContact ND1-O 3.14Å; Y116-N177 VanDerWaalsContact CE2-ND2 3.3Å; Y116-N177 WeakPolarHBondContact CE2-ND2 3.49Å; G173-N177 WeakPolarHBondContact O-CB 3.25Å; G173-N177 PolarHBondContact O-N 3.35Å; G173-N177 PolarHBondContact O-ND2 3.43Å; G174-N177 PolarHBondContact O-N 2.85Å; N177-P181 WeakPolarHBondContact O-CD 3.45Å; N177-L189 WeakPolarHBondContact OD1-CD1 3.29Å; N177-N195 PolarHBondContact OD1-ND2 2.75Å; N177-N195 PolarHBondContact OD1-OD1 2.95Å |
| 178 | Y | 96.2 | Very high | 96.5 | Very high | 17 Ų | 17 | 24.2 Ų | 24.2 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.3 | -46.7 | -175 | -160.4 | -78 | 0 | 0 | 0 | 111.9 | H109 K110 L114 G174 F175 M182 F489 M490 | H109-Y178 PolarHBondContact CE1-O 3.21Å; H109-Y178 PolarHBondContact ND1-O 3.19Å; K110-Y178 HydrophobicContact CB-CD2 4Å; K110-Y178 HydrophobicContact CB-CE2 3.78Å; K110-Y178 HydrophobicContact CG-CE2 4.39Å; K110-Y178 WeakPolarHBondContact O-CD2 3.34Å; L114-Y178 HydrophobicContact CD1-CE2 4.49Å; L114-Y178 HydrophobicContact CD2-CE2 4.28Å; L114-Y178 HydrophobicContact CG-CD2 4.36Å; L114-Y178 HydrophobicContact CG-CE2 4.14Å; G174-Y178 WeakPolarHBondContact O-CB 3.33Å; G174-Y178 PolarHBondContact O-N 3.32Å; F175-Y178 PolarHBondContact O-N 3.26Å; Y178-M182 HydrophobicContact CD1-CE 3.91Å; Y178-M182 HydrophobicContact CD1-SD 4.38Å; Y178-M182 HydrophobicContact CE1-CE 3.61Å; Y178-M182 HydrophobicContact CE1-SD 4.35Å; Y178-M182 WeakPolarHBondContact O-CE 3.18Å; Y178-F489 HydrophobicContact CE1-CD1 4.34Å; Y178-F489 HydrophobicContact CE1-CE1 4.06Å; Y178-M490 HydrophobicContact CD1-CG 4.22Å; Y178-M490 HydrophobicContact CD1-SD 4.4Å; Y178-M490 HydrophobicContact CE1-CB 4.49Å; Y178-M490 HydrophobicContact CE1-CG 3.66Å; Y178-M490 HydrophobicContact CE1-SD 4.37Å; Y178-M490 HydrophobicContact CE2-CG 4.36Å; Y178-M490 WeakPolarHBondContact OH-CA 3.44Å |
| 179 | F | 96.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -102.1 | -24.1 | -168.5 | -66.6 | -74.8 | 0 | 0 | 0 | 115.3 | F175 M182 F183 W486 F489 M490 | F175-F179 HydrophobicContact CB-CD2 4.31Å; F175-F179 AromaticContact CD1-CD2 3.78Å; F175-F179 HydrophobicContact CD1-CD2 3.78Å; F175-F179 AromaticContact CD1-CE2 3.5Å; F175-F179 HydrophobicContact CD1-CE2 3.5Å; F175-F179 HydrophobicContact CE1-CE2 4.02Å; F175-F179 WeakPolarHBondContact O-CB 3.29Å; F175-F179 WeakPolarHBondContact O-CD2 3.49Å; F175-F179 PolarHBondContact O-N 3.45Å; F179-M182 HydrophobicContact CD1-SD 4.11Å; F179-M182 WeakPolarHBondContact O-CB 3.18Å; F179-M182 PolarHBondContact O-N 2.86Å; F179-F183 HydrophobicContact CB-CD2 3.86Å; F179-F183 HydrophobicContact CB-CE2 3.64Å; F179-F183 HydrophobicContact CG-CE2 4.35Å; F179-F183 VanDerWaalsContact O-CD2 3.32Å; F179-F183 WeakPolarHBondContact O-CD2 3.43Å; F179-F183 PolarHBondContact O-N 3.26Å; F179-W486 HydrophobicContact CD1-CD2 4.43Å; F179-W486 HydrophobicContact CD2-CE3 4.32Å; F179-W486 HydrophobicContact CE1-CB 3.94Å; F179-W486 AromaticContact CE1-CD1 3.8Å; F179-W486 AromaticContact CE1-CD2 3.97Å; F179-W486 HydrophobicContact CE1-CD2 3.97Å; F179-W486 AromaticContact CE1-CG 3.64Å; F179-W486 HydrophobicContact CE1-CG 3.64Å; F179-W486 HydrophobicContact CE2-CB 4.21Å; F179-W486 HydrophobicContact CE2-CD2 4.18Å; F179-W486 HydrophobicContact CE2-CE3 4.02Å; F179-W486 HydrophobicContact CE2-CG 4.28Å; F179-W486 HydrophobicContact CZ-CB 3.41Å; F179-W486 VanDerWaalsContact CZ-CB 3.41Å; F179-W486 AromaticContact CZ-CD2 3.86Å; F179-W486 HydrophobicContact CZ-CD2 3.86Å; F179-W486 HydrophobicContact CZ-CE3 4.17Å; F179-W486 AromaticContact CZ-CG 3.53Å; F179-W486 HydrophobicContact CZ-CG 3.53Å; F179-F489 AromaticContact CE1-CD1 3.75Å; F179-F489 HydrophobicContact CE1-CD1 3.75Å; F179-F489 AromaticContact CE1-CE1 3.89Å; F179-F489 HydrophobicContact CE1-CE1 3.89Å; F179-F489 HydrophobicContact CZ-CD1 4.41Å; F179-M490 HydrophobicContact CE2-CG 4.45Å; F179-M490 HydrophobicContact CE2-SD 3.9Å; F179-M490 HydrophobicContact CZ-CG 3.71Å; F179-M490 HydrophobicContact CZ-SD 3.75Å |
| 180 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | -173.8 | -178 | 64.5 | 0 | 0 | 0 | 113.2 | G176 M182 F183 L184 L189 F258 I262 Y277 | G176-L180 WeakPolarHBondContact O-CB 3.48Å; G176-L180 PolarHBondContact O-N 3.25Å; L180-M182 VanDerWaalsContact C-N 3.26Å; L180-M182 PolarHBondContact O-N 3.49Å; L180-F183 PolarHBondContact O-N 2.98Å; L180-L184 HydrophobicContact CD1-CD1 4.06Å; L180-L184 HydrophobicContact CD1-CG 4.45Å; L180-L184 HydrophobicContact CG-CD1 4.09Å; L180-L184 WeakPolarHBondContact O-CG 3.27Å; L180-L184 PolarHBondContact O-N 3.05Å; L180-L189 HydrophobicContact CD2-CD2 4.12Å; L180-F258 HydrophobicContact CD2-CB 3.85Å; L180-F258 HydrophobicContact CD2-CD1 3.8Å; L180-F258 HydrophobicContact CD2-CD2 3.68Å; L180-F258 HydrophobicContact CD2-CE1 4.29Å; L180-F258 HydrophobicContact CD2-CE2 4.21Å; L180-F258 HydrophobicContact CD2-CG 3.49Å; L180-F258 VanDerWaalsContact CD2-CG 3.49Å; L180-I262 HydrophobicContact CD1-CD1 3.98Å; L180-I262 HydrophobicContact CD1-CG1 3.81Å; L180-I262 HydrophobicContact CD2-CD1 4.07Å; L180-I262 HydrophobicContact CD2-CG1 4.04Å; L180-I262 HydrophobicContact CG-CG1 4.34Å; L180-Y277 HydrophobicContact CD1-CD2 4.19Å |
| 181 | P | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -37.2 | 175 | -26.6 | 38.8 | 0 | 0 | 0 | 112.6 | H109 N177 L184 C185 L186 L189 | H109-P181 HydrophobicContact CB-CG 4.2Å; N177-P181 WeakPolarHBondContact O-CD 3.45Å; P181-L184 CarbonylContact O-C 3.6Å; P181-L184 PolarHBondContact O-N 2.91Å; P181-C185 PolarHBondContact O-N 3.14Å; P181-L186 CarbonylContact C-O 3.36Å; P181-L186 HydrophobicContact CB-CB 4.29Å; P181-L186 PolarHBondContact O-N 3Å; P181-L189 HydrophobicContact CG-CD2 3.81Å; P181-L189 HydrophobicContact CG-CG 3.74Å |
| 182 | M | 95.1 | Very high | 96.2 | Very high | 46 Ų | 46 | 31.5 Ų | 31.5 | 23% | 0.227 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.1 | -45 | -179.6 | -57.1 | 179.2 | 178.6 | 0 | 0 | 111.9 | K110 Y178 F179 L180 L184 C185 F489 | K110-M182 HydrophobicContact CD-CE 3.75Å; K110-M182 HydrophobicContact CG-CE 4.03Å; Y178-M182 HydrophobicContact CD1-CE 3.91Å; Y178-M182 HydrophobicContact CD1-SD 4.38Å; Y178-M182 HydrophobicContact CE1-CE 3.61Å; Y178-M182 HydrophobicContact CE1-SD 4.35Å; Y178-M182 WeakPolarHBondContact O-CE 3.18Å; F179-M182 HydrophobicContact CD1-SD 4.11Å; F179-M182 WeakPolarHBondContact O-CB 3.18Å; F179-M182 PolarHBondContact O-N 2.86Å; L180-M182 VanDerWaalsContact C-N 3.26Å; L180-M182 PolarHBondContact O-N 3.49Å; M182-L184 PolarHBondContact O-N 2.89Å; M182-C185 PolarHBondContact O-N 3.3Å; M182-F489 HydrophobicContact CE-CE1 3.91Å; M182-F489 HydrophobicContact CE-CZ 4.2Å; M182-F489 HydrophobicContact SD-CE1 3.47Å; M182-F489 WeakPolarHBondContact SD-CE1 3.42Å; M182-F489 HydrophobicContact SD-CZ 3.66Å |
| 183 | F | 95.4 | Very high | 96 | Very high | 43 Ų | 43 | 39 Ų | 39 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -19.3 | 175.8 | -75 | -57.9 | 0 | 0 | 0 | 113.6 | F179 L180 M273 V274 H345 W486 | F179-F183 HydrophobicContact CB-CD2 3.86Å; F179-F183 HydrophobicContact CB-CE2 3.64Å; F179-F183 HydrophobicContact CG-CE2 4.35Å; F179-F183 VanDerWaalsContact O-CD2 3.32Å; F179-F183 WeakPolarHBondContact O-CD2 3.43Å; F179-F183 PolarHBondContact O-N 3.26Å; L180-F183 PolarHBondContact O-N 2.98Å; F183-M273 HydrophobicContact CD2-CB 3.82Å; F183-M273 HydrophobicContact CD2-CG 4.36Å; F183-M273 HydrophobicContact CE2-CB 3.7Å; F183-M273 HydrophobicContact CE2-CE 4.17Å; F183-M273 HydrophobicContact CE2-CG 3.71Å; F183-M273 HydrophobicContact CG-CB 4.35Å; F183-M273 HydrophobicContact CZ-CB 4.15Å; F183-M273 HydrophobicContact CZ-CG 3.84Å; F183-V274 HydrophobicContact CB-CG2 3.7Å; F183-H345 AromaticContact CE1-CD2 3.93Å; F183-H345 AromaticContact CE1-NE2 3.73Å; F183-W486 HydrophobicContact CE2-CZ2 4.33Å; F183-W486 HydrophobicContact CZ-CH2 4.24Å; F183-W486 AromaticContact CZ-CZ2 3.7Å; F183-W486 HydrophobicContact CZ-CZ2 3.7Å |
| 184 | L | 97.2 | Very high | 95.8 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 0.7 | 175.2 | -65.9 | 173.2 | 0 | 0 | 0 | 113.1 | L180 P181 M182 L186 T261 I262 R265 V274 | L180-L184 HydrophobicContact CD1-CD1 4.06Å; L180-L184 HydrophobicContact CD1-CG 4.45Å; L180-L184 HydrophobicContact CG-CD1 4.09Å; L180-L184 WeakPolarHBondContact O-CG 3.27Å; L180-L184 PolarHBondContact O-N 3.05Å; P181-L184 CarbonylContact O-C 3.6Å; P181-L184 PolarHBondContact O-N 2.91Å; M182-L184 PolarHBondContact O-N 2.89Å; L184-L186 VanDerWaalsContact C-N 3.29Å; L184-L186 HydrophobicContact CB-CD1 3.89Å; L184-L186 HydrophobicContact CB-CG 3.95Å; L184-L186 HydrophobicContact CD1-CD1 4.22Å; L184-L186 PolarHBondContact O-N 3.45Å; L184-T261 HydrophobicContact CD1-CG2 3.86Å; L184-I262 HydrophobicContact CD1-CG1 4.07Å; L184-R265 HydrophobicContact CB-CB 4.44Å; L184-R265 HydrophobicContact CD2-CB 4.11Å; L184-V274 HydrophobicContact CD2-CB 4.47Å; L184-V274 HydrophobicContact CD2-CG1 3.66Å; L184-V274 HydrophobicContact CD2-CG2 3.91Å; L184-V274 HydrophobicContact CG-CG2 4.3Å |
| 185 | C | 95.7 | Very high | 95.6 | Very high | 110 Ų | 110 | 40.9 Ų | 40.9 | 74% | 0.743 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 46.2 | -173.1 | -53.3 | 0 | 0 | 0 | 0 | 112.5 | P181 M182 | P181-C185 PolarHBondContact O-N 3.14Å; M182-C185 PolarHBondContact O-N 3.3Å |
| 186 | L | 96.5 | Very high | 95.4 | Very high | 32 Ų | 32 | 41 Ų | 41 | 17% | 0.168 | 21% | 0.21 | C | C | . | . | trans | -114 | 150.9 | 175.9 | -63.1 | 175.6 | 0 | 0 | 0 | 110.1 | P181 L184 T261 R265 | P181-L186 CarbonylContact C-O 3.36Å; P181-L186 HydrophobicContact CB-CB 4.29Å; P181-L186 PolarHBondContact O-N 3Å; L184-L186 VanDerWaalsContact C-N 3.29Å; L184-L186 HydrophobicContact CB-CD1 3.89Å; L184-L186 HydrophobicContact CB-CG 3.95Å; L184-L186 HydrophobicContact CD1-CD1 4.22Å; L184-L186 PolarHBondContact O-N 3.45Å; L186-T261 HydrophobicContact CD1-CG2 3.54Å; L186-R265 HydrophobicContact CD1-CG 4.27Å; L186-R265 HydrophobicContact CD2-CG 3.94Å; L186-R265 HydrophobicContact CG-CG 4.25Å | ||
| 187 | D | 95.1 | Very high | 95.1 | Very high | 162 Ų | 162 | 41.6 Ų | 41.6 | 87% | 0.866 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -72.5 | -30.5 | 177.9 | -60.6 | -40.2 | 0 | 0 | 0 | 112.7 | ||
| 188 | D | 95.2 | Very high | 94.9 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 24% | 0.235 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -158.9 | 174.8 | -177.7 | -154.1 | -18.3 | 0 | 0 | 0 | 110.1 | H109 | H109-D188 VanDerWaalsContact CB-OD1 3.27Å; H109-D188 WeakPolarHBondContact CB-OD1 3.41Å; H109-D188 IonicContact CD2-OD1 3.27Å; H109-D188 IonicContact CG-OD1 3.44Å; H109-D188 PolarHBondContact N-OD1 3.36Å |
| 189 | L | 96.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -69.4 | 153.4 | 167.9 | -65.8 | 164.2 | 0 | 0 | 0 | 110.7 | H109 N177 L180 P181 L191 P192 N195 N257 F258 T261 | H109-L189 HydrophobicContact CB-CD1 4.25Å; H109-L189 HydrophobicContact CB-CG 4.36Å; N177-L189 WeakPolarHBondContact OD1-CD1 3.29Å; L180-L189 HydrophobicContact CD2-CD2 4.12Å; P181-L189 HydrophobicContact CG-CD2 3.81Å; P181-L189 HydrophobicContact CG-CG 3.74Å; L189-L191 VanDerWaalsContact C-N 3.31Å; L189-L191 PolarHBondContact O-N 3.04Å; L189-P192 VanDerWaalsContact O-CD 3.28Å; L189-P192 WeakPolarHBondContact O-CD 3.32Å; L189-P192 VanDerWaalsContact O-CG 3.3Å; L189-P192 WeakPolarHBondContact O-CG 3.47Å; L189-N195 HydrophobicContact CD1-CB 4.38Å; L189-N195 WeakPolarHBondContact CD1-ND2 3.46Å; L189-N257 WeakPolarHBondContact CD1-ND2 3.45Å; L189-F258 HydrophobicContact CD1-CD1 4.43Å; L189-F258 HydrophobicContact CD1-CE1 3.95Å; L189-F258 HydrophobicContact CD2-CD1 3.99Å; L189-F258 HydrophobicContact CD2-CE1 4.09Å; L189-T261 HydrophobicContact CD2-CG2 4.03Å | ||
| 190 | L | 95.3 | Very high | 94.7 | Very high | 90 Ų | 90 | 43 Ų | 43 | 47% | 0.471 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -69.2 | -25.5 | -177.3 | -70.5 | -174 | 0 | 0 | 0 | 114.4 | P192 S260 T261 | L190-P192 WeakPolarHBondContact O-CD 3.44Å; L190-S260 WeakPolarHBondContact CD1-O 3.2Å; L190-T261 HydrophobicContact CG-CG2 4.32Å; L190-T261 PolarHBondContact N-OG1 3.17Å |
| 191 | L | 96.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | trans | -120.1 | 65.2 | -179.5 | -49.4 | 169 | 0 | 0 | 0 | 111.7 | L189 R193 L194 N195 V256 N257 | L189-L191 VanDerWaalsContact C-N 3.31Å; L189-L191 PolarHBondContact O-N 3.04Å; L191-R193 PolarHBondContact O-N 2.76Å; L191-R193 VanDerWaalsContact O-N 3.11Å; L191-L194 HydrophobicContact CB-CB 3.97Å; L191-L194 HydrophobicContact CB-CD1 4.01Å; L191-L194 HydrophobicContact CB-CG 4.34Å; L191-L194 HydrophobicContact CD1-CD1 3.71Å; L191-L194 HydrophobicContact CG-CD1 4.32Å; L191-L194 PolarHBondContact O-N 3.42Å; L191-N195 PolarHBondContact O-N 2.99Å; L191-V256 HydrophobicContact CD1-CG1 4.39Å; L191-N257 WeakPolarHBondContact CA-OD1 3.31Å; L191-N257 HydrophobicContact CB-CB 4.28Å; L191-N257 VanDerWaalsContact CB-OD1 3.28Å; L191-N257 WeakPolarHBondContact CB-OD1 3.48Å; L191-N257 HydrophobicContact CD1-CB 4.37Å; L191-N257 PolarHBondContact N-OD1 3.11Å | ||
| 192 | P | 93.7 | Very high | 94.3 | Very high | 34 Ų | 34 | 44 Ų | 44 | 22% | 0.221 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -31.8 | -173.7 | -24.6 | 34 | 0 | 0 | 0 | 114.3 | L107 L189 L190 N195 S196 | L107-P192 HydrophobicContact CB-CB 3.99Å; L189-P192 VanDerWaalsContact O-CD 3.28Å; L189-P192 WeakPolarHBondContact O-CD 3.32Å; L189-P192 VanDerWaalsContact O-CG 3.3Å; L189-P192 WeakPolarHBondContact O-CG 3.47Å; L190-P192 WeakPolarHBondContact O-CD 3.44Å; P192-N195 VanDerWaalsContact O-CB 3.31Å; P192-N195 WeakPolarHBondContact O-CB 3.36Å; P192-N195 PolarHBondContact O-N 3.38Å; P192-S196 PolarHBondContact O-N 3.11Å |
| 193 | R | 92 | Very high | 94.1 | Very high | 173 Ų | 173 | 44.8 Ų | 44.8 | 65% | 0.653 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -71.1 | -39 | 177.8 | -63.5 | -178.2 | -173.8 | -176.2 | 1.6 | 112.7 | L107 L191 S196 L197 | L107-R193 HydrophobicContact CD1-CG 4.29Å; L107-R193 HydrophobicContact CD2-CG 4.18Å; L191-R193 PolarHBondContact O-N 2.76Å; L191-R193 VanDerWaalsContact O-N 3.11Å; R193-S196 PolarHBondContact O-N 3.35Å; R193-L197 PolarHBondContact O-N 3.08Å |
| 194 | L | 91.1 | Very high | 94.1 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 24% | 0.236 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68 | -33.5 | 173.5 | -76.7 | 178.6 | 0 | 0 | 0 | 110.3 | L61 L191 L197 S198 I253 | L61-L194 HydrophobicContact CD2-CD2 4.03Å; L191-L194 HydrophobicContact CB-CB 3.97Å; L191-L194 HydrophobicContact CB-CD1 4.01Å; L191-L194 HydrophobicContact CB-CG 4.34Å; L191-L194 HydrophobicContact CD1-CD1 3.71Å; L191-L194 HydrophobicContact CG-CD1 4.32Å; L191-L194 PolarHBondContact O-N 3.42Å; L194-L197 HydrophobicContact CD2-CD2 4.04Å; L194-L197 WeakPolarHBondContact O-CB 3.14Å; L194-L197 PolarHBondContact O-N 3.48Å; L194-S198 PolarHBondContact O-N 3.42Å; L194-I253 HydrophobicContact CB-CG2 3.69Å; L194-I253 HydrophobicContact CD2-CG2 3.96Å; L194-I253 HydrophobicContact CG-CG2 4.3Å; L194-I253 VanDerWaalsContact O-CG2 3.23Å; L194-I253 WeakPolarHBondContact O-CG2 3.44Å |
| 195 | N | 94 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 173.8 | -160.9 | 38.9 | 0 | 0 | 0 | 113.7 | N177 L189 L191 P192 L197 S198 L199 | N177-N195 PolarHBondContact OD1-ND2 2.75Å; N177-N195 PolarHBondContact OD1-OD1 2.95Å; L189-N195 HydrophobicContact CD1-CB 4.38Å; L189-N195 WeakPolarHBondContact CD1-ND2 3.46Å; L191-N195 PolarHBondContact O-N 2.99Å; P192-N195 VanDerWaalsContact O-CB 3.31Å; P192-N195 WeakPolarHBondContact O-CB 3.36Å; P192-N195 PolarHBondContact O-N 3.38Å; N195-L197 VanDerWaalsContact C-N 3.32Å; N195-S198 PolarHBondContact O-N 2.9Å; N195-S198 PolarHBondContact O-OG 2.88Å; N195-L199 PolarHBondContact O-N 2.77Å |
| 196 | S | 92.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | P192 R193 L199 W200 | P192-S196 PolarHBondContact O-N 3.11Å; R193-S196 PolarHBondContact O-N 3.35Å; S196-L199 PolarHBondContact O-N 3.45Å; S196-W200 PolarHBondContact O-N 3.36Å |
| 197 | L | 90 | Very high | 93.8 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.2 | 165.6 | 62.5 | 0 | 0 | 0 | 112.4 | L61 V64 R193 L194 N195 L199 W200 L201 I253 | L61-L197 HydrophobicContact CD2-CD2 3.95Å; V64-L197 HydrophobicContact CB-CD1 3.67Å; V64-L197 HydrophobicContact CG1-CB 4.45Å; V64-L197 HydrophobicContact CG1-CD1 3.49Å; V64-L197 VanDerWaalsContact CG1-CD1 3.49Å; V64-L197 HydrophobicContact CG1-CG 4.43Å; V64-L197 HydrophobicContact CG2-CD1 3.59Å; R193-L197 PolarHBondContact O-N 3.08Å; L194-L197 HydrophobicContact CD2-CD2 4.04Å; L194-L197 WeakPolarHBondContact O-CB 3.14Å; L194-L197 PolarHBondContact O-N 3.48Å; N195-L197 VanDerWaalsContact C-N 3.32Å; L197-L199 VanDerWaalsContact C-N 3.29Å; L197-L199 PolarHBondContact O-N 2.87Å; L197-W200 PolarHBondContact O-N 3.19Å; L197-L201 HydrophobicContact CD1-CD1 3.92Å; L197-L201 HydrophobicContact CD1-CD2 4.36Å; L197-L201 HydrophobicContact CD1-CG 3.89Å; L197-L201 HydrophobicContact CG-CD1 4.26Å; L197-L201 WeakPolarHBondContact O-CG 3.44Å; L197-L201 PolarHBondContact O-N 3.15Å; L197-L201 VanDerWaalsContact O-N 3.12Å; L197-I253 HydrophobicContact CD2-CD1 3.69Å; L197-I253 HydrophobicContact CG-CD1 3.87Å |
| 198 | S | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 178.6 | 58 | 0 | 0 | 0 | 0 | 110.8 | Y116 L194 N195 W200 L201 S250 | Y116-S198 VanDerWaalsContact OH-C 3.23Å; Y116-S198 WeakPolarHBondContact OH-CB 3.4Å; Y116-S198 PolarHBondContact OH-OG 3.49Å; L194-S198 PolarHBondContact O-N 3.42Å; N195-S198 PolarHBondContact O-N 2.9Å; N195-S198 PolarHBondContact O-OG 2.88Å; S198-W200 PolarHBondContact O-N 3.04Å; S198-L201 PolarHBondContact O-N 2.71Å; S198-S250 VanDerWaalsContact CB-O 3.26Å; S198-S250 WeakPolarHBondContact CB-O 3.32Å; S198-S250 WeakPolarHBondContact O-CB 3.1Å; S198-S250 PolarHBondContact O-OG 3.29Å |
| 199 | L | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 178.9 | -177.5 | 143.8 | 0 | 0 | 0 | 112.1 | M112 L115 Y116 F119 N195 S196 L197 L201 M202 | M112-L199 HydrophobicContact CB-CD1 4.31Å; M112-L199 VanDerWaalsContact O-CD1 3.24Å; M112-L199 WeakPolarHBondContact O-CD1 3.26Å; M112-L199 HydrophobicContact SD-CB 4.16Å; M112-L199 HydrophobicContact SD-CD1 3.77Å; M112-L199 HydrophobicContact SD-CD2 4.44Å; M112-L199 HydrophobicContact SD-CG 4.35Å; L115-L199 HydrophobicContact CB-CD1 3.42Å; L115-L199 VanDerWaalsContact CB-CD1 3.42Å; L115-L199 HydrophobicContact CB-CD2 4.34Å; L115-L199 HydrophobicContact CB-CG 4.45Å; L115-L199 HydrophobicContact CD1-CD1 4.22Å; L115-L199 HydrophobicContact CD1-CD2 4.23Å; L115-L199 HydrophobicContact CG-CD1 4.48Å; Y116-L199 HydrophobicContact CD2-CB 4.48Å; Y116-L199 HydrophobicContact CD2-CD1 3.62Å; Y116-L199 HydrophobicContact CD2-CG 4.37Å; Y116-L199 HydrophobicContact CE1-CB 4.38Å; Y116-L199 HydrophobicContact CE1-CG 4.48Å; Y116-L199 HydrophobicContact CE2-CB 3.75Å; Y116-L199 HydrophobicContact CE2-CD1 3.75Å; Y116-L199 HydrophobicContact CE2-CG 4.12Å; Y116-L199 HydrophobicContact CG-CD1 4.03Å; Y116-L199 VanDerWaalsContact OH-CA 3.24Å; Y116-L199 WeakPolarHBondContact OH-CA 3.24Å; Y116-L199 PolarHBondContact OH-N 2.74Å; F119-L199 HydrophobicContact CE2-CD2 3.85Å; F119-L199 HydrophobicContact CE2-CG 4.29Å; N195-L199 PolarHBondContact O-N 2.77Å; S196-L199 PolarHBondContact O-N 3.45Å; L197-L199 VanDerWaalsContact C-N 3.29Å; L197-L199 PolarHBondContact O-N 2.87Å; L199-L201 VanDerWaalsContact C-N 3.26Å; L199-L201 PolarHBondContact O-N 3.48Å; L199-M202 VanDerWaalsContact O-CB 3.25Å; L199-M202 WeakPolarHBondContact O-CB 3.47Å; L199-M202 PolarHBondContact O-N 3.49Å |
| 200 | W | 93.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 39.5 Ų | 39.5 | 20% | 0.201 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.2 | -19.4 | -174.8 | -71 | 118.4 | 0 | 0 | 0 | 114 | F104 L115 F119 S196 L197 S198 M202 V203 P204 | F104-W200 HydrophobicContact CB-CZ2 4.36Å; F104-W200 AromaticContact CD1-CH2 3.33Å; F104-W200 HydrophobicContact CD1-CH2 3.33Å; F104-W200 AromaticContact CD1-CZ2 3.89Å; F104-W200 HydrophobicContact CD1-CZ2 3.89Å; F104-W200 AromaticContact CD1-CZ3 3.89Å; F104-W200 HydrophobicContact CD1-CZ3 3.89Å; F104-W200 AromaticContact CE1-CH2 3.73Å; F104-W200 HydrophobicContact CE1-CH2 3.73Å; F104-W200 HydrophobicContact CE1-CZ3 4.08Å; F104-W200 HydrophobicContact CG-CH2 4.24Å; F104-W200 HydrophobicContact CG-CZ2 4.46Å; F104-W200 PolarHBondContact O-NE1 3.38Å; L115-W200 HydrophobicContact CD1-CZ2 4.26Å; F119-W200 HydrophobicContact CZ-CZ3 4.35Å; S196-W200 PolarHBondContact O-N 3.36Å; L197-W200 PolarHBondContact O-N 3.19Å; S198-W200 PolarHBondContact O-N 3.04Å; W200-M202 PolarHBondContact O-N 3.28Å; W200-V203 HydrophobicContact CE3-CG2 3.76Å; W200-V203 HydrophobicContact CZ3-CG2 3.99Å; W200-V203 PolarHBondContact O-N 2.83Å; W200-P204 WeakPolarHBondContact O-CD 3.24Å |
| 201 | L | 94.6 | Very high | 93.7 | Very high | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.6 | -21.1 | 170 | -73.8 | 171.3 | 0 | 0 | 0 | 113 | L197 S198 L199 V203 P204 S205 L246 V249 I253 | L197-L201 HydrophobicContact CD1-CD1 3.92Å; L197-L201 HydrophobicContact CD1-CD2 4.36Å; L197-L201 HydrophobicContact CD1-CG 3.89Å; L197-L201 HydrophobicContact CG-CD1 4.26Å; L197-L201 WeakPolarHBondContact O-CG 3.44Å; L197-L201 PolarHBondContact O-N 3.15Å; L197-L201 VanDerWaalsContact O-N 3.12Å; S198-L201 PolarHBondContact O-N 2.71Å; L199-L201 VanDerWaalsContact C-N 3.26Å; L199-L201 PolarHBondContact O-N 3.48Å; L201-V203 VanDerWaalsContact C-N 3.3Å; L201-V203 PolarHBondContact O-N 3.44Å; L201-P204 WeakPolarHBondContact O-CD 3.4Å; L201-P204 WeakPolarHBondContact O-CG 3.35Å; L201-S205 VanDerWaalsContact O-CB 3.29Å; L201-S205 WeakPolarHBondContact O-CB 2.79Å; L201-S205 PolarHBondContact O-N 3.17Å; L201-L246 HydrophobicContact CD2-CD2 4.21Å; L201-V249 HydrophobicContact CD1-CB 4.27Å; L201-V249 HydrophobicContact CD1-CG1 3.69Å; L201-I253 HydrophobicContact CD1-CD1 3.87Å |
| 202 | M | 92.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.9 | -31 | 175.5 | -66 | -59.7 | -59.5 | 0 | 0 | 112.6 | Y116 F165 P169 L199 W200 S205 I206 | Y116-M202 HydrophobicContact CE1-CG 4.12Å; F165-M202 HydrophobicContact CD1-CE 3.48Å; F165-M202 VanDerWaalsContact CD1-CE 3.48Å; F165-M202 HydrophobicContact CE1-CE 3.69Å; P169-M202 HydrophobicContact CG-CE 3.8Å; L199-M202 VanDerWaalsContact O-CB 3.25Å; L199-M202 WeakPolarHBondContact O-CB 3.47Å; L199-M202 PolarHBondContact O-N 3.49Å; W200-M202 PolarHBondContact O-N 3.28Å; M202-S205 WeakPolarHBondContact O-CB 3.32Å; M202-S205 PolarHBondContact O-N 3.43Å; M202-I206 WeakPolarHBondContact O-CG1 3.37Å; M202-I206 PolarHBondContact O-N 3.35Å |
| 203 | V | 90.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 35.5 Ų | 35.5 | 37% | 0.37 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.6 | -57 | -179 | 178 | 0 | 0 | 0 | 0 | 112.4 | F119 W200 L201 S205 I206 F207 | F119-V203 HydrophobicContact CE1-CG2 3.77Å; F119-V203 HydrophobicContact CE2-CG2 4.31Å; F119-V203 HydrophobicContact CZ-CG2 3.47Å; F119-V203 VanDerWaalsContact CZ-CG2 3.47Å; W200-V203 HydrophobicContact CE3-CG2 3.76Å; W200-V203 HydrophobicContact CZ3-CG2 3.99Å; W200-V203 PolarHBondContact O-N 2.83Å; L201-V203 VanDerWaalsContact C-N 3.3Å; L201-V203 PolarHBondContact O-N 3.44Å; V203-S205 PolarHBondContact O-N 3.32Å; V203-I206 PolarHBondContact O-N 2.94Å; V203-F207 PolarHBondContact O-N 3.34Å; V203-F207 VanDerWaalsContact O-N 3.13Å |
| 204 | P | 94.5 | Very high | 93.6 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 29% | 0.292 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.8 | -35.2 | 174 | 25.5 | -32.7 | 0 | 0 | 0 | 110.9 | W200 L201 I206 F207 Y208 L246 | W200-P204 WeakPolarHBondContact O-CD 3.24Å; L201-P204 WeakPolarHBondContact O-CD 3.4Å; L201-P204 WeakPolarHBondContact O-CG 3.35Å; P204-I206 PolarHBondContact O-N 3.48Å; P204-F207 WeakPolarHBondContact O-CB 3.2Å; P204-F207 PolarHBondContact O-N 2.84Å; P204-Y208 HydrophobicContact CB-CD2 4.46Å; P204-Y208 HydrophobicContact CB-CE2 4.37Å; P204-Y208 WeakPolarHBondContact O-CD2 3.42Å; P204-Y208 PolarHBondContact O-N 3.2Å; P204-L246 HydrophobicContact CB-CD1 3.81Å; P204-L246 HydrophobicContact CG-CD1 4.03Å |
| 205 | S | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 178.2 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | F165 L201 M202 V203 F207 Y208 M209 S243 A247 | F165-S205 VanDerWaalsContact CE1-OG 3.25Å; F165-S205 WeakPolarHBondContact CE1-OG 3.28Å; F165-S205 WeakPolarHBondContact CZ-OG 3.39Å; L201-S205 VanDerWaalsContact O-CB 3.29Å; L201-S205 WeakPolarHBondContact O-CB 2.79Å; L201-S205 PolarHBondContact O-N 3.17Å; M202-S205 WeakPolarHBondContact O-CB 3.32Å; M202-S205 PolarHBondContact O-N 3.43Å; V203-S205 PolarHBondContact O-N 3.32Å; S205-F207 PolarHBondContact O-N 3.14Å; S205-Y208 PolarHBondContact O-N 3.02Å; S205-M209 PolarHBondContact O-N 2.96Å; S205-M209 VanDerWaalsContact O-N 3.07Å; S205-S243 WeakPolarHBondContact O-CB 3.41Å; S205-S243 PolarHBondContact O-OG 3.49Å; S205-S243 PolarHBondContact OG-O 3.45Å; S205-A247 WeakPolarHBondContact OG-CB 3.2Å; S205-A247 PolarHBondContact OG-N 3.33Å |
| 206 | I | 92.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.1 | -64.9 | 163.5 | 0 | 0 | 0 | 110.7 | F119 W122 F165 M202 V203 P204 Y208 M209 E210 | F119-I206 HydrophobicContact CB-CD1 4.37Å; F119-I206 HydrophobicContact CD1-CD1 4.05Å; W122-I206 HydrophobicContact CE3-CD1 4.13Å; W122-I206 HydrophobicContact CE3-CG2 4.13Å; W122-I206 HydrophobicContact CH2-CG2 3.72Å; W122-I206 HydrophobicContact CZ3-CB 4.22Å; W122-I206 HydrophobicContact CZ3-CD1 4.09Å; W122-I206 HydrophobicContact CZ3-CG2 3.35Å; F165-I206 HydrophobicContact CD1-CB 4.36Å; F165-I206 HydrophobicContact CD1-CD1 4.08Å; F165-I206 HydrophobicContact CD1-CG1 3.2Å; F165-I206 HydrophobicContact CE1-CB 4.29Å; F165-I206 HydrophobicContact CE1-CG1 3.44Å; F165-I206 VanDerWaalsContact CE1-CG1 3.44Å; F165-I206 HydrophobicContact CG-CG1 4.12Å; M202-I206 WeakPolarHBondContact O-CG1 3.37Å; M202-I206 PolarHBondContact O-N 3.35Å; V203-I206 PolarHBondContact O-N 2.94Å; P204-I206 PolarHBondContact O-N 3.48Å; I206-Y208 VanDerWaalsContact C-N 3.28Å; I206-Y208 PolarHBondContact O-N 3.14Å; I206-M209 HydrophobicContact CG2-CE 4.46Å; I206-M209 WeakPolarHBondContact O-CB 3.43Å; I206-M209 PolarHBondContact O-N 3.3Å; I206-E210 HydrophobicContact CG2-CG 4.39Å; I206-E210 PolarHBondContact O-N 2.92Å |
| 207 | F | 93.7 | Very high | 93.6 | Very high | 119 Ų | 119 | 39.7 Ų | 39.7 | 52% | 0.522 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.2 | -43 | 177.2 | 175.3 | -104.3 | 0 | 0 | 0 | 112.1 | V203 P204 S205 E210 L211 | V203-F207 PolarHBondContact O-N 3.34Å; V203-F207 VanDerWaalsContact O-N 3.13Å; P204-F207 WeakPolarHBondContact O-CB 3.2Å; P204-F207 PolarHBondContact O-N 2.84Å; S205-F207 PolarHBondContact O-N 3.14Å; F207-E210 PolarHBondContact O-N 2.95Å; F207-L211 HydrophobicContact CD1-CD1 3.97Å; F207-L211 HydrophobicContact CD1-CG 4.49Å; F207-L211 HydrophobicContact CE1-CD1 3.4Å; F207-L211 HydrophobicContact CE1-CG 4.11Å; F207-L211 HydrophobicContact CE2-CG 4.46Å; F207-L211 HydrophobicContact CZ-CD1 3.74Å; F207-L211 HydrophobicContact CZ-CD2 4.29Å; F207-L211 HydrophobicContact CZ-CG 4.09Å; F207-L211 WeakPolarHBondContact O-CG 3.32Å; F207-L211 PolarHBondContact O-N 3.04Å |
| 208 | Y | 97.2 | Very high | 93.8 | Very high | 65 Ų | 65 | 40 Ų | 40 | 26% | 0.255 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71.5 | -28.5 | 176.1 | -76.1 | -70.1 | 0 | 0 | 0 | 113.8 | P204 S205 I206 L211 S212 Y239 F242 L246 | P204-Y208 HydrophobicContact CB-CD2 4.46Å; P204-Y208 HydrophobicContact CB-CE2 4.37Å; P204-Y208 WeakPolarHBondContact O-CD2 3.42Å; P204-Y208 PolarHBondContact O-N 3.2Å; S205-Y208 PolarHBondContact O-N 3.02Å; I206-Y208 VanDerWaalsContact C-N 3.28Å; I206-Y208 PolarHBondContact O-N 3.14Å; Y208-L211 HydrophobicContact CD1-CD1 3.97Å; Y208-L211 HydrophobicContact CE1-CD1 4.24Å; Y208-S212 WeakPolarHBondContact O-CB 3.48Å; Y208-S212 PolarHBondContact O-N 2.84Å; Y208-Y239 AromaticContact CD1-CD1 3.73Å; Y208-Y239 HydrophobicContact CD1-CD1 3.73Å; Y208-Y239 HydrophobicContact CD1-CE1 4.46Å; Y208-Y239 HydrophobicContact CE1-CD1 4.04Å; Y208-Y239 HydrophobicContact CE1-CE1 4.37Å; Y208-F242 AromaticContact CD1-CD1 3.94Å; Y208-F242 HydrophobicContact CD1-CD1 3.94Å; Y208-F242 AromaticContact CD2-CD1 3.33Å; Y208-F242 HydrophobicContact CD2-CD1 3.33Å; Y208-F242 AromaticContact CD2-CE1 3.58Å; Y208-F242 HydrophobicContact CD2-CE1 3.58Å; Y208-F242 AromaticContact CE1-CD1 3.89Å; Y208-F242 HydrophobicContact CE1-CD1 3.89Å; Y208-F242 HydrophobicContact CE1-CE1 4.27Å; Y208-F242 AromaticContact CE2-CD1 3.36Å; Y208-F242 HydrophobicContact CE2-CD1 3.36Å; Y208-F242 AromaticContact CE2-CE1 3.17Å; Y208-F242 HydrophobicContact CE2-CE1 3.17Å; Y208-F242 HydrophobicContact CE2-CZ 4.43Å; Y208-F242 AromaticContact CG-CD1 3.65Å; Y208-F242 HydrophobicContact CG-CD1 3.65Å; Y208-F242 HydrophobicContact CG-CE1 4.33Å; Y208-F242 AromaticContact CZ-CD1 3.59Å; Y208-F242 AromaticContact CZ-CE1 3.52Å; Y208-L246 HydrophobicContact CD2-CD1 3.89Å; Y208-L246 HydrophobicContact CE2-CD1 4.22Å |
| 209 | M | 95.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 170.7 | -174.7 | -163 | 70.9 | 0 | 0 | 110.5 | I126 V160 A161 F165 S205 I206 L211 S212 L213 S243 | I126-M209 HydrophobicContact CD1-CE 4.4Å; I126-M209 HydrophobicContact CG2-CE 4.15Å; V160-M209 HydrophobicContact CG1-CG 4.21Å; V160-M209 HydrophobicContact CG1-SD 4.14Å; A161-M209 HydrophobicContact CB-CE 4.41Å; A161-M209 HydrophobicContact CB-SD 4.03Å; F165-M209 HydrophobicContact CD2-CE 4.44Å; F165-M209 HydrophobicContact CD2-CG 4.38Å; F165-M209 HydrophobicContact CD2-SD 3.25Å; F165-M209 WeakPolarHBondContact CD2-SD 3.24Å; F165-M209 HydrophobicContact CE2-CB 3.98Å; F165-M209 HydrophobicContact CE2-CG 4Å; F165-M209 HydrophobicContact CE2-SD 3.48Å; F165-M209 WeakPolarHBondContact CE2-SD 3.36Å; F165-M209 HydrophobicContact CG-SD 4.05Å; F165-M209 HydrophobicContact CZ-CB 4.21Å; F165-M209 HydrophobicContact CZ-SD 4.43Å; S205-M209 PolarHBondContact O-N 2.96Å; S205-M209 VanDerWaalsContact O-N 3.07Å; I206-M209 HydrophobicContact CG2-CE 4.46Å; I206-M209 WeakPolarHBondContact O-CB 3.43Å; I206-M209 PolarHBondContact O-N 3.3Å; M209-L211 PolarHBondContact O-N 3.2Å; M209-S212 WeakPolarHBondContact O-CA 3.39Å; M209-S212 WeakPolarHBondContact O-CB 3.28Å; M209-S212 PolarHBondContact O-N 2.84Å; M209-S212 VanDerWaalsContact O-N 3.1Å; M209-L213 PolarHBondContact O-N 3.32Å; M209-S243 PolarHBondContact N-OG 3.36Å |
| 210 | E | 92.1 | Very high | 93.8 | Very high | 59 Ų | 59 | 40.3 Ų | 40.3 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 176.9 | -67 | -59.4 | 147 | 0 | 0 | 112.1 | I126 I206 F207 S212 L213 Y214 | I126-E210 VanDerWaalsContact CD1-OE1 3.31Å; I126-E210 WeakPolarHBondContact CD1-OE1 3.49Å; I206-E210 HydrophobicContact CG2-CG 4.39Å; I206-E210 PolarHBondContact O-N 2.92Å; F207-E210 PolarHBondContact O-N 2.95Å; E210-S212 VanDerWaalsContact C-N 3.29Å; E210-S212 PolarHBondContact O-N 3.41Å; E210-L213 PolarHBondContact O-N 3.38Å; E210-Y214 WeakPolarHBondContact O-CB 3.43Å; E210-Y214 PolarHBondContact O-N 3.49Å |
| 211 | L | 95.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 39.6 Ų | 39.6 | 19% | 0.194 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -38.9 | 170.7 | -72.8 | -179.9 | 0 | 0 | 0 | 111.8 | F207 Y208 M209 L213 Y214 Y215 Y239 | F207-L211 HydrophobicContact CD1-CD1 3.97Å; F207-L211 HydrophobicContact CD1-CG 4.49Å; F207-L211 HydrophobicContact CE1-CD1 3.4Å; F207-L211 HydrophobicContact CE1-CG 4.11Å; F207-L211 HydrophobicContact CE2-CG 4.46Å; F207-L211 HydrophobicContact CZ-CD1 3.74Å; F207-L211 HydrophobicContact CZ-CD2 4.29Å; F207-L211 HydrophobicContact CZ-CG 4.09Å; F207-L211 WeakPolarHBondContact O-CG 3.32Å; F207-L211 PolarHBondContact O-N 3.04Å; Y208-L211 HydrophobicContact CD1-CD1 3.97Å; Y208-L211 HydrophobicContact CE1-CD1 4.24Å; M209-L211 PolarHBondContact O-N 3.2Å; L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 2.81Å; L211-Y214 PolarHBondContact O-N 3Å; L211-Y215 HydrophobicContact CD2-CE2 4.21Å; L211-Y215 VanDerWaalsContact O-CD2 3.3Å; L211-Y215 WeakPolarHBondContact O-CD2 3.42Å; L211-Y215 PolarHBondContact O-N 3.48Å; L211-Y239 HydrophobicContact CB-CD1 4.39Å; L211-Y239 HydrophobicContact CB-CD2 4.13Å; L211-Y239 HydrophobicContact CB-CG 4.01Å; L211-Y239 HydrophobicContact CD1-CD1 4.27Å; L211-Y239 HydrophobicContact CD1-CE1 4.24Å |
| 212 | S | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 174.7 | -178 | 0 | 0 | 0 | 0 | 112.1 | Y208 M209 E210 G216 C217 G236 L240 | Y208-S212 WeakPolarHBondContact O-CB 3.48Å; Y208-S212 PolarHBondContact O-N 2.84Å; M209-S212 WeakPolarHBondContact O-CA 3.39Å; M209-S212 WeakPolarHBondContact O-CB 3.28Å; M209-S212 PolarHBondContact O-N 2.84Å; M209-S212 VanDerWaalsContact O-N 3.1Å; E210-S212 VanDerWaalsContact C-N 3.29Å; E210-S212 PolarHBondContact O-N 3.41Å; S212-G216 CarbonylContact O-C 3.58Å; S212-G216 WeakPolarHBondContact O-CA 3.44Å; S212-G216 PolarHBondContact O-N 3.17Å; S212-C217 PolarHBondContact O-N 3.46Å; S212-C217 WeakPolarHBondContact OG-CB 3.44Å; S212-G236 VanDerWaalsContact CB-O 3.27Å; S212-G236 WeakPolarHBondContact CB-O 3.45Å; S212-G236 PolarHBondContact OG-O 3.49Å; S212-L240 WeakPolarHBondContact OG-CB 3.46Å |
| 213 | L | 91.6 | Very high | 94.1 | Very high | 45 Ų | 45 | 38.5 Ų | 38.5 | 24% | 0.236 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 175.6 | -178.8 | 61 | 0 | 0 | 0 | 111.6 | L130 N157 M209 E210 L211 G216 | L130-L213 HydrophobicContact CD2-CD2 4.13Å; N157-L213 HydrophobicContact CB-CD1 4.17Å; M209-L213 PolarHBondContact O-N 3.32Å; E210-L213 PolarHBondContact O-N 3.38Å; L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 2.81Å; L213-G216 PolarHBondContact O-N 3.47Å |
| 214 | Y | 92 | Very high | 94.4 | Very high | 191 Ų | 191 | 37.2 Ų | 37.2 | 75% | 0.749 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -65.3 | -44.8 | 179.7 | -179.5 | -98.9 | 0 | 0 | 0 | 113.2 | E210 L211 G216 | E210-Y214 WeakPolarHBondContact O-CB 3.43Å; E210-Y214 PolarHBondContact O-N 3.49Å; L211-Y214 PolarHBondContact O-N 3Å; Y214-G216 VanDerWaalsContact C-N 3.3Å |
| 215 | Y | 93.8 | Very high | 94.5 | Very high | 115 Ų | 115 | 35.6 Ų | 35.6 | 45% | 0.451 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -81.5 | -8.7 | 178 | -76.7 | -78.1 | 0 | 0 | 0 | 113.8 | L211 Y239 | L211-Y215 HydrophobicContact CD2-CE2 4.21Å; L211-Y215 VanDerWaalsContact O-CD2 3.3Å; L211-Y215 WeakPolarHBondContact O-CD2 3.42Å; L211-Y215 PolarHBondContact O-N 3.48Å; Y215-Y239 AromaticContact CD2-CD2 3.64Å; Y215-Y239 HydrophobicContact CD2-CD2 3.64Å; Y215-Y239 AromaticContact CD2-CE2 3.2Å; Y215-Y239 HydrophobicContact CD2-CE2 3.2Å; Y215-Y239 HydrophobicContact CE2-CD2 4.3Å; Y215-Y239 AromaticContact CE2-CE2 3.49Å; Y215-Y239 HydrophobicContact CE2-CE2 3.49Å; Y215-Y239 VanDerWaalsContact CE2-CE2 3.49Å; Y215-Y239 AromaticContact CE2-CZ 4Å; Y215-Y239 HydrophobicContact CG-CD2 4.18Å; Y215-Y239 AromaticContact CG-CE2 3.78Å; Y215-Y239 HydrophobicContact CG-CE2 3.78Å |
| 216 | G | 90.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | 83.6 | 118.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | S212 L213 Y214 G236 | S212-G216 CarbonylContact O-C 3.58Å; S212-G216 WeakPolarHBondContact O-CA 3.44Å; S212-G216 PolarHBondContact O-N 3.17Å; L213-G216 PolarHBondContact O-N 3.47Å; Y214-G216 VanDerWaalsContact C-N 3.3Å; G216-G236 WeakPolarHBondContact O-CA 3.49Å | ||
| 217 | C | 93.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -136.1 | 96.1 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | Y153 T156 S212 L240 | Y153-C217 WeakPolarHBondContact CA-O 3.01Å; Y153-C217 VanDerWaalsContact CD1-N 3.33Å; T156-C217 WeakPolarHBondContact CB-O 3.4Å; T156-C217 WeakPolarHBondContact CG2-O 3Å; T156-C217 PolarHBondContact OG1-O 2.85Å; S212-C217 PolarHBondContact O-N 3.46Å; S212-C217 WeakPolarHBondContact OG-CB 3.44Å; C217-L240 HydrophobicContact CB-CD2 4.46Å; C217-L240 WeakPolarHBondContact SG-CD2 3.39Å | ||
| 218 | G | 93 | Very high | 94.6 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | trans | -106.2 | 25.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 219 | I | 94.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -96.4 | 2.5 | -168.7 | 65.4 | 177.1 | 0 | 0 | 0 | 113.7 | L223 L227 V237 | I219-L223 HydrophobicContact CD1-CB 4.23Å; I219-L223 HydrophobicContact CD1-CD2 3.4Å; I219-L223 VanDerWaalsContact CD1-CD2 3.4Å; I219-L223 HydrophobicContact CD1-CG 4.42Å; I219-L223 HydrophobicContact CG1-CD2 3.92Å; I219-L227 HydrophobicContact CB-CD2 4.17Å; I219-L227 HydrophobicContact CB-CG 4.2Å; I219-L227 HydrophobicContact CG2-CD2 4.2Å; I219-L227 HydrophobicContact CG2-CG 3.83Å; I219-V237 HydrophobicContact CD1-CB 4.16Å; I219-V237 HydrophobicContact CD1-CG1 3.52Å; I219-V237 HydrophobicContact CD1-CG2 3.67Å; I219-V237 HydrophobicContact CG1-CG2 4.34Å; I219-V237 HydrophobicContact CG2-CG2 3.93Å |
| 220 | G | 94.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 153.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T156 T222 L223 | T156-G220 WeakPolarHBondContact OG1-CA 3.38Å; T156-G220 PolarHBondContact OG1-N 2.91Å; G220-T222 PolarHBondContact O-N 2.98Å; G220-L223 PolarHBondContact O-N 2.95Å |
| 221 | W | 95.9 | Very high | 93.4 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.9 | 179.1 | 71 | -90.3 | 0 | 0 | 0 | 113.6 | V160 I163 F324 W325 F467 | V160-W221 HydrophobicContact CG2-CB 3.97Å; I163-W221 HydrophobicContact CD1-CE3 4.03Å; I163-W221 HydrophobicContact CD1-CH2 4.46Å; I163-W221 HydrophobicContact CD1-CZ3 3.98Å; W221-F324 HydrophobicContact CE3-CE1 4.47Å; W221-F324 AromaticContact CE3-CZ 3.71Å; W221-F324 HydrophobicContact CE3-CZ 3.71Å; W221-F324 HydrophobicContact CH2-CE1 4.2Å; W221-F324 HydrophobicContact CH2-CZ 4.18Å; W221-F324 AromaticContact CZ3-CE1 3.92Å; W221-F324 HydrophobicContact CZ3-CE1 3.92Å; W221-F324 AromaticContact CZ3-CZ 3.45Å; W221-F324 HydrophobicContact CZ3-CZ 3.45Å; W221-F324 VanDerWaalsContact CZ3-CZ 3.45Å; W221-W325 AromaticContact CH2-CH2 3.82Å; W221-W325 HydrophobicContact CH2-CH2 3.82Å; W221-W325 AromaticContact CH2-CZ3 3.83Å; W221-W325 HydrophobicContact CH2-CZ3 3.83Å; W221-W325 AromaticContact CZ2-CH2 3.94Å; W221-W325 HydrophobicContact CZ2-CH2 3.94Å; W221-W325 HydrophobicContact CZ2-CZ3 4.38Å; W221-F467 HydrophobicContact CZ2-CZ 4.46Å |
| 222 | T | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -8.3 | 177.5 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | G220 Y224 F320 F324 W325 R529 | G220-T222 PolarHBondContact O-N 2.98Å; T222-Y224 VanDerWaalsContact C-N 3.34Å; T222-Y224 HydrophobicContact CG2-CE1 4.41Å; T222-Y224 WeakPolarHBondContact O-CD1 3.15Å; T222-Y224 PolarHBondContact O-N 3.21Å; T222-Y224 WeakPolarHBondContact OG1-CD2 3.4Å; T222-Y224 WeakPolarHBondContact OG1-CE2 3.49Å; T222-F320 VanDerWaalsContact O-CE1 3.24Å; T222-F320 WeakPolarHBondContact O-CE1 3.41Å; T222-F324 HydrophobicContact CG2-CD1 4.43Å; T222-F324 HydrophobicContact CG2-CE1 3.63Å; T222-F324 HydrophobicContact CG2-CZ 3.85Å; T222-W325 HydrophobicContact CG2-CH2 4.07Å; T222-W325 HydrophobicContact CG2-CZ2 4Å; T222-R529 PolarHBondContact OG1-NH2 2.81Å |
| 223 | L | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 35.4 | 172.6 | -49.8 | 172 | 0 | 0 | 0 | 115.9 | I219 G220 S228 L240 M241 L244 M295 L298 F320 | I219-L223 HydrophobicContact CD1-CB 4.23Å; I219-L223 HydrophobicContact CD1-CD2 3.4Å; I219-L223 VanDerWaalsContact CD1-CD2 3.4Å; I219-L223 HydrophobicContact CD1-CG 4.42Å; I219-L223 HydrophobicContact CG1-CD2 3.92Å; G220-L223 PolarHBondContact O-N 2.95Å; L223-S228 VanDerWaalsContact O-CB 3.23Å; L223-S228 WeakPolarHBondContact O-CB 3.48Å; L223-S228 PolarHBondContact O-OG 3.44Å; L223-L240 HydrophobicContact CD2-CD2 3.71Å; L223-L240 HydrophobicContact CD2-CG 4.36Å; L223-M241 HydrophobicContact CD1-CG 4.31Å; L223-L244 HydrophobicContact CD1-CD1 3.93Å; L223-M295 HydrophobicContact CD1-CG 4.18Å; L223-M295 HydrophobicContact CD1-SD 4.13Å; L223-L298 HydrophobicContact CB-CD2 4.24Å; L223-F320 HydrophobicContact CB-CE1 4.31Å; L223-F320 HydrophobicContact CB-CZ 3.98Å; L223-F320 WeakPolarHBondContact O-CE1 3.39Å |
| 224 | Y | 96.3 | Very high | 92.1 | Very high | 33 Ų | 33 | 50 Ų | 50 | 13% | 0.129 | 25% | 0.254 | C | S | . | . | trans | -69.5 | 131.8 | -171.7 | -67.5 | -23.5 | 0 | 0 | 0 | 114.6 | T222 L227 S228 F320 Q321 F324 W325 | T222-Y224 VanDerWaalsContact C-N 3.34Å; T222-Y224 HydrophobicContact CG2-CE1 4.41Å; T222-Y224 WeakPolarHBondContact O-CD1 3.15Å; T222-Y224 PolarHBondContact O-N 3.21Å; T222-Y224 WeakPolarHBondContact OG1-CD2 3.4Å; T222-Y224 WeakPolarHBondContact OG1-CE2 3.49Å; Y224-L227 PolarHBondContact O-N 2.93Å; Y224-S228 PolarHBondContact O-N 2.97Å; Y224-S228 PolarHBondContact O-OG 3.03Å; Y224-S228 VanDerWaalsContact O-OG 3.14Å; Y224-F320 AromaticContact CD1-CD1 3.94Å; Y224-F320 HydrophobicContact CD1-CD1 3.94Å; Y224-F320 HydrophobicContact CD1-CE1 4.03Å; Y224-Q321 HydrophobicContact CD1-CG 4.11Å; Y224-Q321 HydrophobicContact CE1-CG 3.86Å; Y224-F324 HydrophobicContact CE1-CD1 4.38Å; Y224-W325 AromaticContact CZ-NE1 3.84Å; Y224-W325 WeakPolarHBondContact OH-CZ2 3.28Å; Y224-W325 PolarHBondContact OH-NE1 3.11Å | ||
| 225 | P | 96.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.071 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 155.5 | 162.8 | 30.9 | -33.5 | 0 | 0 | 0 | 110.5 | S228 I229 L298 F309 P317 F320 | P225-S228 WeakPolarHBondContact CA-OG 3.49Å; P225-S228 VanDerWaalsContact N-OG 3.09Å; P225-I229 HydrophobicContact CB-CD1 3.59Å; P225-I229 HydrophobicContact CB-CG1 3.98Å; P225-L298 HydrophobicContact CB-CD1 4.34Å; P225-F309 HydrophobicContact CB-CB 3.95Å; P225-F309 HydrophobicContact CG-CB 3.74Å; P225-F309 HydrophobicContact CG-CD2 4.5Å; P225-F309 HydrophobicContact CG-CG 4.09Å; P225-P317 HydrophobicContact CB-CB 4.3Å; P225-P317 HydrophobicContact CG-CB 3.92Å; P225-F320 VanDerWaalsContact CD-CD1 3.45Å; P225-F320 HydrophobicContact CG-CB 3.65Å; P225-F320 HydrophobicContact CG-CD1 4.35Å; P225-F320 HydrophobicContact CG-CG 3.98Å |
| 226 | P | 94.9 | Very high | 92.2 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 55% | 0.545 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -80.1 | -10 | 2.5 | 32.8 | -35.9 | 0 | 0 | 0 | 113.7 | S228 I229 W230 | P226-S228 VanDerWaalsContact C-N 3.27Å; P226-S228 PolarHBondContact O-N 3.28Å; P226-I229 PolarHBondContact O-N 3.37Å; P226-W230 PolarHBondContact O-N 3.22Å |
| 227 | L | 94.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 41.6 Ų | 41.6 | 45% | 0.445 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -38.1 | -176.6 | -178.3 | 62.2 | 0 | 0 | 0 | 112.5 | I219 Y224 I229 W230 | I219-L227 HydrophobicContact CB-CD2 4.17Å; I219-L227 HydrophobicContact CB-CG 4.2Å; I219-L227 HydrophobicContact CG2-CD2 4.2Å; I219-L227 HydrophobicContact CG2-CG 3.83Å; Y224-L227 PolarHBondContact O-N 2.93Å; L227-I229 VanDerWaalsContact C-N 3.32Å; L227-W230 HydrophobicContact CD1-CE3 4.39Å |
| 228 | S | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -12.9 | 176.6 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | L223 Y224 P225 P226 L298 R302 | L223-S228 VanDerWaalsContact O-CB 3.23Å; L223-S228 WeakPolarHBondContact O-CB 3.48Å; L223-S228 PolarHBondContact O-OG 3.44Å; Y224-S228 PolarHBondContact O-N 2.97Å; Y224-S228 PolarHBondContact O-OG 3.03Å; Y224-S228 VanDerWaalsContact O-OG 3.14Å; P225-S228 WeakPolarHBondContact CA-OG 3.49Å; P225-S228 VanDerWaalsContact N-OG 3.09Å; P226-S228 VanDerWaalsContact C-N 3.27Å; P226-S228 PolarHBondContact O-N 3.28Å; S228-L298 WeakPolarHBondContact OG-CD1 3.38Å; S228-L298 WeakPolarHBondContact OG-CD2 3.33Å; S228-R302 WeakPolarHBondContact O-CD 3.29Å; S228-R302 PolarHBondContact O-NH1 3.39Å |
| 229 | I | 93.4 | Very high | 92.8 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -30.8 | 175 | -60.6 | 173.5 | 0 | 0 | 0 | 111 | P225 P226 L227 E231 L298 D301 F309 | P225-I229 HydrophobicContact CB-CD1 3.59Å; P225-I229 HydrophobicContact CB-CG1 3.98Å; P226-I229 PolarHBondContact O-N 3.37Å; L227-I229 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 2.96Å; I229-L298 HydrophobicContact CD1-CD1 3.9Å; I229-L298 HydrophobicContact CG1-CD1 3.49Å; I229-L298 VanDerWaalsContact CG1-CD1 3.49Å; I229-D301 HydrophobicContact CD1-CB 3.89Å; I229-D301 HydrophobicContact CG1-CB 4.23Å; I229-D301 HydrophobicContact CG2-CB 4.24Å; I229-F309 HydrophobicContact CD1-CB 3.79Å; I229-F309 HydrophobicContact CD1-CD2 4.31Å |
| 230 | W | 88.5 | Confident | 92.9 | Very high | 161 Ų | 161 | 44.6 Ų | 44.6 | 61% | 0.61 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -51 | 126.6 | -178.4 | -179 | 57 | 0 | 0 | 0 | 112.1 | P226 L227 G232 S233 | P226-W230 PolarHBondContact O-N 3.22Å; L227-W230 HydrophobicContact CD1-CE3 4.39Å; W230-G232 VanDerWaalsContact CE3-C 3.47Å; W230-G232 VanDerWaalsContact CZ3-C 3.43Å; W230-G232 PolarHBondContact O-N 3.41Å; W230-G232 VanDerWaalsContact O-N 3.14Å; W230-S233 VanDerWaalsContact O-CB 3.28Å; W230-S233 WeakPolarHBondContact O-CB 3.04Å; W230-S233 PolarHBondContact O-N 2.96Å; W230-S233 PolarHBondContact O-OG 3.34Å |
| 231 | E | 78.5 | Confident | 93 | Very high | 187 Ų | 187 | 44.4 Ų | 44.4 | 87% | 0.874 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -57.6 | -32.4 | -175.6 | -64.5 | -174.8 | 163.7 | 0 | 0 | 112.7 | I229 S233 G234 | I229-E231 PolarHBondContact O-N 2.96Å; E231-S233 PolarHBondContact O-N 3.4Å; E231-S233 VanDerWaalsContact O-N 3.16Å; E231-G234 PolarHBondContact O-N 3.25Å |
| 232 | G | 81.4 | Confident | 93.1 | Very high | 49 Ų | 49 | 47 Ų | 47 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -66.7 | -10.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | W230 G234 | W230-G232 VanDerWaalsContact CE3-C 3.47Å; W230-G232 VanDerWaalsContact CZ3-C 3.43Å; W230-G232 PolarHBondContact O-N 3.41Å; W230-G232 VanDerWaalsContact O-N 3.14Å; G232-G234 PolarHBondContact O-N 3.06Å |
| 233 | S | 84.9 | Confident | 93.2 | Very high | 17 Ų | 17 | 47 Ų | 47 | 12% | 0.119 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -72 | -11.9 | 175.4 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | W230 E231 R302 | W230-S233 VanDerWaalsContact O-CB 3.28Å; W230-S233 WeakPolarHBondContact O-CB 3.04Å; W230-S233 PolarHBondContact O-N 2.96Å; W230-S233 PolarHBondContact O-OG 3.34Å; E231-S233 PolarHBondContact O-N 3.4Å; E231-S233 VanDerWaalsContact O-N 3.16Å; S233-R302 PolarHBondContact OG-NH1 3.48Å |
| 234 | G | 89.2 | Confident | 93.2 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | trans | 74.1 | -175.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E231 G232 R302 | E231-G234 PolarHBondContact O-N 3.25Å; G232-G234 PolarHBondContact O-N 3.06Å; G234-R302 PolarHBondContact O-NH2 2.82Å | ||
| 235 | F | 93 | Very high | 93.3 | Very high | 130 Ų | 130 | 47.5 Ų | 47.5 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -19.3 | -177.1 | -63.7 | -69.7 | 0 | 0 | 0 | 113.7 | V237 D238 Y239 | F235-V237 PolarHBondContact O-N 3.11Å; F235-D238 WeakPolarHBondContact O-CB 3.49Å; F235-D238 PolarHBondContact O-N 3.38Å; F235-Y239 HydrophobicContact CB-CD2 4.45Å; F235-Y239 HydrophobicContact CB-CE2 4Å; F235-Y239 VanDerWaalsContact O-CD2 3.29Å; F235-Y239 WeakPolarHBondContact O-CD2 3.48Å; F235-Y239 PolarHBondContact O-N 3.31Å |
| 236 | G | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -32.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S212 G216 Y239 L240 | S212-G236 VanDerWaalsContact CB-O 3.27Å; S212-G236 WeakPolarHBondContact CB-O 3.45Å; S212-G236 PolarHBondContact OG-O 3.49Å; G216-G236 WeakPolarHBondContact O-CA 3.49Å; G236-Y239 PolarHBondContact O-N 3.37Å; G236-L240 PolarHBondContact O-N 3.36Å |
| 237 | V | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 173.9 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | I219 F235 L240 M241 | I219-V237 HydrophobicContact CD1-CB 4.16Å; I219-V237 HydrophobicContact CD1-CG1 3.52Å; I219-V237 HydrophobicContact CD1-CG2 3.67Å; I219-V237 HydrophobicContact CG1-CG2 4.34Å; I219-V237 HydrophobicContact CG2-CG2 3.93Å; F235-V237 PolarHBondContact O-N 3.11Å; V237-L240 PolarHBondContact O-N 3.4Å; V237-M241 HydrophobicContact CG1-CE 3.77Å; V237-M241 WeakPolarHBondContact O-CG 3.4Å; V237-M241 PolarHBondContact O-N 3.17Å |
| 238 | D | 95.8 | Very high | 93.5 | Very high | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | -180 | -55.6 | -37.7 | 0 | 0 | 0 | 110.9 | F235 L240 M241 F242 R302 K303 | F235-D238 WeakPolarHBondContact O-CB 3.49Å; F235-D238 PolarHBondContact O-N 3.38Å; D238-L240 VanDerWaalsContact C-N 3.33Å; D238-L240 PolarHBondContact O-N 3.25Å; D238-M241 PolarHBondContact O-N 3.37Å; D238-F242 PolarHBondContact O-N 3.02Å; D238-R302 IonicContact OD1-CZ 2.59Å; D238-R302 VanDerWaalsContact OD1-CZ 3.27Å; D238-R302 IonicContact OD1-NE 2.76Å; D238-R302 PolarHBondContact OD1-NE 3.41Å; D238-R302 IonicContact OD1-NH2 3.77Å; D238-R302 PolarHBondContact OD1-NH2 2.74Å; D238-R302 IonicContact OD2-NH2 2.7Å; D238-R302 PolarHBondContact OD2-NH2 3.19Å; D238-K303 WeakPolarHBondContact OD1-CE 3.36Å; D238-K303 IonicContact OD1-NZ 2.72Å; D238-K303 WeakPolarHBondContact OD2-CE 3.19Å; D238-K303 IonicContact OD2-NZ 3.63Å; D238-K303 PolarHBondContact OD2-NZ 3.23Å |
| 239 | Y | 96.7 | Very high | 93.6 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 26% | 0.255 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 174.7 | -65.3 | -52.1 | 0 | 0 | 0 | 112 | Y208 L211 Y215 F235 G236 F242 S243 | Y208-Y239 AromaticContact CD1-CD1 3.73Å; Y208-Y239 HydrophobicContact CD1-CD1 3.73Å; Y208-Y239 HydrophobicContact CD1-CE1 4.46Å; Y208-Y239 HydrophobicContact CE1-CD1 4.04Å; Y208-Y239 HydrophobicContact CE1-CE1 4.37Å; L211-Y239 HydrophobicContact CB-CD1 4.39Å; L211-Y239 HydrophobicContact CB-CD2 4.13Å; L211-Y239 HydrophobicContact CB-CG 4.01Å; L211-Y239 HydrophobicContact CD1-CD1 4.27Å; L211-Y239 HydrophobicContact CD1-CE1 4.24Å; Y215-Y239 AromaticContact CD2-CD2 3.64Å; Y215-Y239 HydrophobicContact CD2-CD2 3.64Å; Y215-Y239 AromaticContact CD2-CE2 3.2Å; Y215-Y239 HydrophobicContact CD2-CE2 3.2Å; Y215-Y239 HydrophobicContact CE2-CD2 4.3Å; Y215-Y239 AromaticContact CE2-CE2 3.49Å; Y215-Y239 HydrophobicContact CE2-CE2 3.49Å; Y215-Y239 VanDerWaalsContact CE2-CE2 3.49Å; Y215-Y239 AromaticContact CE2-CZ 4Å; Y215-Y239 HydrophobicContact CG-CD2 4.18Å; Y215-Y239 AromaticContact CG-CE2 3.78Å; Y215-Y239 HydrophobicContact CG-CE2 3.78Å; F235-Y239 HydrophobicContact CB-CD2 4.45Å; F235-Y239 HydrophobicContact CB-CE2 4Å; F235-Y239 VanDerWaalsContact O-CD2 3.29Å; F235-Y239 WeakPolarHBondContact O-CD2 3.48Å; F235-Y239 PolarHBondContact O-N 3.31Å; G236-Y239 PolarHBondContact O-N 3.37Å; Y239-F242 PolarHBondContact O-N 3.13Å; Y239-S243 WeakPolarHBondContact O-CB 3.36Å; Y239-S243 PolarHBondContact O-N 3.46Å |
| 240 | L | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -46.5 | 176.6 | -166.7 | 53.5 | 0 | 0 | 0 | 111.9 | T156 V160 S212 C217 L223 G236 V237 D238 F242 S243 L244 | T156-L240 HydrophobicContact CG2-CD2 3.73Å; V160-L240 HydrophobicContact CB-CD1 4.47Å; V160-L240 HydrophobicContact CG1-CD1 3.98Å; V160-L240 HydrophobicContact CG2-CD1 4.18Å; V160-L240 HydrophobicContact CG2-CD2 4.42Å; S212-L240 WeakPolarHBondContact OG-CB 3.46Å; C217-L240 HydrophobicContact CB-CD2 4.46Å; C217-L240 WeakPolarHBondContact SG-CD2 3.39Å; L223-L240 HydrophobicContact CD2-CD2 3.71Å; L223-L240 HydrophobicContact CD2-CG 4.36Å; G236-L240 PolarHBondContact O-N 3.36Å; V237-L240 PolarHBondContact O-N 3.4Å; D238-L240 VanDerWaalsContact C-N 3.33Å; D238-L240 PolarHBondContact O-N 3.25Å; L240-F242 VanDerWaalsContact C-N 3.32Å; L240-F242 PolarHBondContact O-N 2.86Å; L240-S243 WeakPolarHBondContact O-CB 3.48Å; L240-S243 PolarHBondContact O-N 3.29Å; L240-L244 HydrophobicContact CG-CD1 4.32Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 3.47Å |
| 241 | M | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 178.3 | -73.3 | -168.1 | -79.2 | 0 | 0 | 110.9 | L223 V237 D238 L244 H245 L298 L299 | L223-M241 HydrophobicContact CD1-CG 4.31Å; V237-M241 HydrophobicContact CG1-CE 3.77Å; V237-M241 WeakPolarHBondContact O-CG 3.4Å; V237-M241 PolarHBondContact O-N 3.17Å; D238-M241 PolarHBondContact O-N 3.37Å; M241-L244 PolarHBondContact O-N 3.48Å; M241-H245 PolarHBondContact O-N 3.15Å; M241-H245 PolarHBondContact O-ND1 3.07Å; M241-L298 HydrophobicContact SD-CB 4.03Å; M241-L298 HydrophobicContact SD-CD2 3.63Å; M241-L298 HydrophobicContact SD-CG 3.99Å; M241-L299 HydrophobicContact CB-CD1 4.24Å; M241-L299 HydrophobicContact CB-CD2 4.25Å; M241-L299 HydrophobicContact CB-CG 4.22Å; M241-L299 HydrophobicContact CE-CD2 3.36Å; M241-L299 HydrophobicContact CE-CG 3.66Å; M241-L299 HydrophobicContact SD-CD2 4.08Å; M241-L299 HydrophobicContact SD-CG 3.72Å |
| 242 | F | 96.7 | Very high | 95 | Very high | 92 Ų | 92 | 28.1 Ų | 28.1 | 40% | 0.404 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.6 | -168.4 | -101.8 | 0 | 0 | 0 | 112.4 | Y208 D238 Y239 L240 L244 H245 L246 | Y208-F242 AromaticContact CD1-CD1 3.94Å; Y208-F242 HydrophobicContact CD1-CD1 3.94Å; Y208-F242 AromaticContact CD2-CD1 3.33Å; Y208-F242 HydrophobicContact CD2-CD1 3.33Å; Y208-F242 AromaticContact CD2-CE1 3.58Å; Y208-F242 HydrophobicContact CD2-CE1 3.58Å; Y208-F242 AromaticContact CE1-CD1 3.89Å; Y208-F242 HydrophobicContact CE1-CD1 3.89Å; Y208-F242 HydrophobicContact CE1-CE1 4.27Å; Y208-F242 AromaticContact CE2-CD1 3.36Å; Y208-F242 HydrophobicContact CE2-CD1 3.36Å; Y208-F242 AromaticContact CE2-CE1 3.17Å; Y208-F242 HydrophobicContact CE2-CE1 3.17Å; Y208-F242 HydrophobicContact CE2-CZ 4.43Å; Y208-F242 AromaticContact CG-CD1 3.65Å; Y208-F242 HydrophobicContact CG-CD1 3.65Å; Y208-F242 HydrophobicContact CG-CE1 4.33Å; Y208-F242 AromaticContact CZ-CD1 3.59Å; Y208-F242 AromaticContact CZ-CE1 3.52Å; D238-F242 PolarHBondContact O-N 3.02Å; Y239-F242 PolarHBondContact O-N 3.13Å; L240-F242 VanDerWaalsContact C-N 3.32Å; L240-F242 PolarHBondContact O-N 2.86Å; F242-L244 PolarHBondContact O-N 3.27Å; F242-H245 PolarHBondContact O-N 2.88Å; F242-L246 HydrophobicContact CD1-CD1 3.87Å; F242-L246 HydrophobicContact CD1-CG 4.36Å; F242-L246 HydrophobicContact CE1-CD1 3.48Å; F242-L246 VanDerWaalsContact CE1-CD1 3.48Å; F242-L246 HydrophobicContact CE1-CD2 4.43Å; F242-L246 HydrophobicContact CE1-CG 4.01Å; F242-L246 HydrophobicContact CZ-CD1 4.21Å; F242-L246 HydrophobicContact CZ-CD2 4.37Å; F242-L246 HydrophobicContact CZ-CG 4.34Å; F242-L246 WeakPolarHBondContact O-CG 3.31Å; F242-L246 PolarHBondContact O-N 3.09Å; F242-L246 VanDerWaalsContact O-N 3.14Å |
| 243 | S | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54.6 | -50.3 | 173 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | F165 S205 M209 Y239 L240 L246 A247 | F165-S243 WeakPolarHBondContact CZ-OG 3.1Å; S205-S243 WeakPolarHBondContact O-CB 3.41Å; S205-S243 PolarHBondContact O-OG 3.49Å; S205-S243 PolarHBondContact OG-O 3.45Å; M209-S243 PolarHBondContact N-OG 3.36Å; Y239-S243 WeakPolarHBondContact O-CB 3.36Å; Y239-S243 PolarHBondContact O-N 3.46Å; L240-S243 WeakPolarHBondContact O-CB 3.48Å; L240-S243 PolarHBondContact O-N 3.29Å; S243-L246 PolarHBondContact O-N 3.25Å; S243-A247 PolarHBondContact O-N 2.84Å |
| 244 | L | 97.8 | Very high | 96.2 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.7 | -33.4 | -178.8 | -68.7 | 175.7 | 0 | 0 | 0 | 113.2 | V160 F164 L223 L240 M241 F242 A247 G248 M295 | V160-L244 HydrophobicContact CG1-CD2 4Å; F164-L244 HydrophobicContact CB-CD2 4.46Å; F164-L244 HydrophobicContact CD1-CD2 4.35Å; F164-L244 HydrophobicContact CD2-CD2 3.39Å; F164-L244 HydrophobicContact CE1-CD2 4.47Å; F164-L244 HydrophobicContact CE2-CD2 3.55Å; F164-L244 HydrophobicContact CG-CD2 3.82Å; F164-L244 HydrophobicContact CZ-CD2 4.09Å; L223-L244 HydrophobicContact CD1-CD1 3.93Å; L240-L244 HydrophobicContact CG-CD1 4.32Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 3.47Å; M241-L244 PolarHBondContact O-N 3.48Å; F242-L244 PolarHBondContact O-N 3.27Å; L244-A247 PolarHBondContact O-N 3.46Å; L244-G248 PolarHBondContact O-N 3.09Å; L244-M295 HydrophobicContact CB-CE 3.93Å; L244-M295 HydrophobicContact CB-SD 3.64Å; L244-M295 HydrophobicContact CD1-SD 3.89Å; L244-M295 HydrophobicContact CG-SD 4.44Å |
| 245 | H | 97.7 | Very high | 96.7 | Very high | 36 Ų | 36 | 24.4 Ų | 24.4 | 17% | 0.167 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 171.2 | -77.7 | 90.3 | 0 | 0 | 0 | 111.4 | M241 F242 G248 V249 A292 M295 T296 | M241-H245 PolarHBondContact O-N 3.15Å; M241-H245 PolarHBondContact O-ND1 3.07Å; F242-H245 PolarHBondContact O-N 2.88Å; H245-G248 PolarHBondContact O-N 2.84Å; H245-V249 VanDerWaalsContact O-CG2 3.32Å; H245-V249 WeakPolarHBondContact O-CG2 3.15Å; H245-V249 PolarHBondContact O-N 3.27Å; H245-A292 PolarHBondContact NE2-O 3.37Å; H245-M295 WeakPolarHBondContact CE1-CB 3.49Å; H245-T296 PolarHBondContact NE2-OG1 3.28Å; H245-T296 VanDerWaalsContact NE2-OG1 3.13Å |
| 246 | L | 97.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 21 Ų | 21 | 14% | 0.141 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 178.3 | -68.8 | 174.5 | 0 | 0 | 0 | 112.1 | L201 P204 Y208 F242 S243 G248 V249 S250 | L201-L246 HydrophobicContact CD2-CD2 4.21Å; P204-L246 HydrophobicContact CB-CD1 3.81Å; P204-L246 HydrophobicContact CG-CD1 4.03Å; Y208-L246 HydrophobicContact CD2-CD1 3.89Å; Y208-L246 HydrophobicContact CE2-CD1 4.22Å; F242-L246 HydrophobicContact CD1-CD1 3.87Å; F242-L246 HydrophobicContact CD1-CG 4.36Å; F242-L246 HydrophobicContact CE1-CD1 3.48Å; F242-L246 VanDerWaalsContact CE1-CD1 3.48Å; F242-L246 HydrophobicContact CE1-CD2 4.43Å; F242-L246 HydrophobicContact CE1-CG 4.01Å; F242-L246 HydrophobicContact CZ-CD1 4.21Å; F242-L246 HydrophobicContact CZ-CD2 4.37Å; F242-L246 HydrophobicContact CZ-CG 4.34Å; F242-L246 WeakPolarHBondContact O-CG 3.31Å; F242-L246 PolarHBondContact O-N 3.09Å; F242-L246 VanDerWaalsContact O-N 3.14Å; S243-L246 PolarHBondContact O-N 3.25Å; L246-G248 VanDerWaalsContact C-N 3.34Å; L246-V249 PolarHBondContact O-N 3.48Å; L246-S250 PolarHBondContact O-N 3.21Å |
| 247 | A | 97.1 | Very high | 97 | Very high | 3 Ų | 3 | 21 Ų | 21 | 3% | 0.025 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | S205 S243 L244 S250 S251 | S205-A247 WeakPolarHBondContact OG-CB 3.2Å; S205-A247 PolarHBondContact OG-N 3.33Å; S243-A247 PolarHBondContact O-N 2.84Å; L244-A247 PolarHBondContact O-N 3.46Å; A247-S250 WeakPolarHBondContact O-CB 3.49Å; A247-S250 PolarHBondContact O-N 2.89Å; A247-S251 PolarHBondContact O-N 3.24Å; A247-S251 PolarHBondContact O-OG 2.84Å |
| 248 | G | 96.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 21.2 Ų | 21.2 | 12% | 0.124 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L244 H245 L246 S250 S251 L252 | L244-G248 PolarHBondContact O-N 3.09Å; H245-G248 PolarHBondContact O-N 2.84Å; L246-G248 VanDerWaalsContact C-N 3.34Å; G248-S250 VanDerWaalsContact C-N 3.34Å; G248-S250 PolarHBondContact O-N 3.46Å; G248-S251 PolarHBondContact O-N 3.22Å; G248-L252 WeakPolarHBondContact O-CB 3.2Å; G248-L252 VanDerWaalsContact O-CG 3.31Å; G248-L252 WeakPolarHBondContact O-CG 3.4Å; G248-L252 PolarHBondContact O-N 3.13Å |
| 249 | V | 96 | Very high | 97.2 | Very high | 37 Ų | 37 | 21.2 Ų | 21.2 | 22% | 0.224 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | F57 L201 H245 L246 L252 I253 | F57-V249 HydrophobicContact CD2-CG1 4.11Å; L201-V249 HydrophobicContact CD1-CB 4.27Å; L201-V249 HydrophobicContact CD1-CG1 3.69Å; H245-V249 VanDerWaalsContact O-CG2 3.32Å; H245-V249 WeakPolarHBondContact O-CG2 3.15Å; H245-V249 PolarHBondContact O-N 3.27Å; L246-V249 PolarHBondContact O-N 3.48Å; V249-L252 PolarHBondContact O-N 3.01Å; V249-I253 HydrophobicContact CG1-CD1 3.74Å; V249-I253 HydrophobicContact CG1-CG1 4.4Å; V249-I253 WeakPolarHBondContact O-CD1 3.17Å; V249-I253 VanDerWaalsContact O-CG1 3.26Å; V249-I253 WeakPolarHBondContact O-CG1 3.38Å; V249-I253 PolarHBondContact O-N 2.98Å |
| 250 | S | 96.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.9 | -53.2 | 173.5 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | S198 L246 A247 G248 L252 I253 G254 | S198-S250 VanDerWaalsContact CB-O 3.26Å; S198-S250 WeakPolarHBondContact CB-O 3.32Å; S198-S250 WeakPolarHBondContact O-CB 3.1Å; S198-S250 PolarHBondContact O-OG 3.29Å; L246-S250 PolarHBondContact O-N 3.21Å; A247-S250 WeakPolarHBondContact O-CB 3.49Å; A247-S250 PolarHBondContact O-N 2.89Å; G248-S250 VanDerWaalsContact C-N 3.34Å; G248-S250 PolarHBondContact O-N 3.46Å; S250-L252 PolarHBondContact O-N 3.16Å; S250-I253 PolarHBondContact O-N 3.44Å; S250-G254 PolarHBondContact O-N 3.32Å |
| 251 | S | 97.2 | Very high | 97.3 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 16% | 0.161 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.8 | -36.5 | -178.7 | -67.6 | 0 | 0 | 0 | 0 | 113.3 | M168 A247 G248 G254 S255 | M168-S251 WeakPolarHBondContact CE-OG 3.18Å; A247-S251 PolarHBondContact O-N 3.24Å; A247-S251 PolarHBondContact O-OG 2.84Å; G248-S251 PolarHBondContact O-N 3.22Å; S251-G254 PolarHBondContact O-N 3.03Å; S251-S255 VanDerWaalsContact O-CB 3.31Å; S251-S255 WeakPolarHBondContact O-CB 3.45Å; S251-S255 PolarHBondContact O-N 3.35Å; S251-S255 PolarHBondContact O-OG 3Å |
| 252 | L | 97.1 | Very high | 97.4 | Very high | 37 Ų | 37 | 20.3 Ų | 20.3 | 19% | 0.194 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 174.8 | -76.2 | 172.8 | 0 | 0 | 0 | 111.3 | G248 V249 S250 S255 V256 L285 L288 P289 | G248-L252 WeakPolarHBondContact O-CB 3.2Å; G248-L252 VanDerWaalsContact O-CG 3.31Å; G248-L252 WeakPolarHBondContact O-CG 3.4Å; G248-L252 PolarHBondContact O-N 3.13Å; V249-L252 PolarHBondContact O-N 3.01Å; S250-L252 PolarHBondContact O-N 3.16Å; L252-S255 PolarHBondContact O-N 3.39Å; L252-V256 WeakPolarHBondContact O-CG2 3.32Å; L252-V256 PolarHBondContact O-N 3.27Å; L252-L285 HydrophobicContact CD2-CD2 3.82Å; L252-L288 HydrophobicContact CD1-CB 4.46Å; L252-L288 HydrophobicContact CD2-CB 3.95Å; L252-L288 HydrophobicContact CD2-CD1 4.16Å; L252-L288 HydrophobicContact CG-CB 4.11Å; L252-L288 HydrophobicContact CG-CD1 3.99Å; L252-P289 HydrophobicContact CD2-CG 4.24Å |
| 253 | I | 95.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 178.3 | -67.6 | 167.4 | 0 | 0 | 0 | 111 | F57 L194 L197 L201 V249 S250 S255 V256 N257 | F57-I253 HydrophobicContact CE2-CD1 3.86Å; F57-I253 HydrophobicContact CE2-CG1 3.65Å; F57-I253 HydrophobicContact CZ-CG1 4.36Å; L194-I253 HydrophobicContact CB-CG2 3.69Å; L194-I253 HydrophobicContact CD2-CG2 3.96Å; L194-I253 HydrophobicContact CG-CG2 4.3Å; L194-I253 VanDerWaalsContact O-CG2 3.23Å; L194-I253 WeakPolarHBondContact O-CG2 3.44Å; L197-I253 HydrophobicContact CD2-CD1 3.69Å; L197-I253 HydrophobicContact CG-CD1 3.87Å; L201-I253 HydrophobicContact CD1-CD1 3.87Å; V249-I253 HydrophobicContact CG1-CD1 3.74Å; V249-I253 HydrophobicContact CG1-CG1 4.4Å; V249-I253 WeakPolarHBondContact O-CD1 3.17Å; V249-I253 VanDerWaalsContact O-CG1 3.26Å; V249-I253 WeakPolarHBondContact O-CG1 3.38Å; V249-I253 PolarHBondContact O-N 2.98Å; S250-I253 PolarHBondContact O-N 3.44Å; I253-S255 VanDerWaalsContact C-N 3.3Å; I253-S255 PolarHBondContact O-N 3.37Å; I253-V256 PolarHBondContact O-N 3.47Å; I253-N257 PolarHBondContact O-N 2.95Å; I253-N257 VanDerWaalsContact O-N 3.15Å |
| 254 | G | 96.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | S250 S251 N257 F258 | S250-G254 PolarHBondContact O-N 3.32Å; S251-G254 PolarHBondContact O-N 3.03Å; G254-N257 WeakPolarHBondContact O-CB 3.24Å; G254-N257 PolarHBondContact O-N 3.41Å; G254-F258 WeakPolarHBondContact O-CD1 3.22Å; G254-F258 PolarHBondContact O-N 3.14Å |
| 255 | S | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 179.9 | -60.9 | 0 | 0 | 0 | 0 | 113 | S251 L252 I253 N257 F258 I259 L284 | S251-S255 VanDerWaalsContact O-CB 3.31Å; S251-S255 WeakPolarHBondContact O-CB 3.45Å; S251-S255 PolarHBondContact O-N 3.35Å; S251-S255 PolarHBondContact O-OG 3Å; L252-S255 PolarHBondContact O-N 3.39Å; I253-S255 VanDerWaalsContact C-N 3.3Å; I253-S255 PolarHBondContact O-N 3.37Å; S255-N257 VanDerWaalsContact C-N 3.28Å; S255-N257 PolarHBondContact O-N 2.8Å; S255-F258 PolarHBondContact O-N 3.32Å; S255-I259 WeakPolarHBondContact O-CB 3.17Å; S255-I259 VanDerWaalsContact O-CG1 3.32Å; S255-I259 WeakPolarHBondContact O-CG1 3.37Å; S255-I259 PolarHBondContact O-N 3.17Å; S255-L284 VanDerWaalsContact OG-CB 3.28Å; S255-L284 WeakPolarHBondContact OG-CB 3.23Å; S255-L284 WeakPolarHBondContact OG-CD1 3.48Å |
| 256 | V | 98 | Very high | 97.3 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 36% | 0.358 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.6 | -42.4 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | L191 L252 I253 S260 L285 | L191-V256 HydrophobicContact CD1-CG1 4.39Å; L252-V256 WeakPolarHBondContact O-CG2 3.32Å; L252-V256 PolarHBondContact O-N 3.27Å; I253-V256 PolarHBondContact O-N 3.47Å; V256-S260 WeakPolarHBondContact O-CB 3.1Å; V256-S260 PolarHBondContact O-N 2.91Å; V256-S260 PolarHBondContact O-OG 3.16Å; V256-L285 HydrophobicContact CG2-CD1 4.48Å; V256-L285 HydrophobicContact CG2-CD2 3.85Å |
| 257 | N | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -45.5 | 179 | -175.2 | 23.9 | 0 | 0 | 0 | 112.2 | L189 L191 I253 G254 S255 S260 T261 | L189-N257 WeakPolarHBondContact CD1-ND2 3.45Å; L191-N257 WeakPolarHBondContact CA-OD1 3.31Å; L191-N257 HydrophobicContact CB-CB 4.28Å; L191-N257 VanDerWaalsContact CB-OD1 3.28Å; L191-N257 WeakPolarHBondContact CB-OD1 3.48Å; L191-N257 HydrophobicContact CD1-CB 4.37Å; L191-N257 PolarHBondContact N-OD1 3.11Å; I253-N257 PolarHBondContact O-N 2.95Å; I253-N257 VanDerWaalsContact O-N 3.15Å; G254-N257 WeakPolarHBondContact O-CB 3.24Å; G254-N257 PolarHBondContact O-N 3.41Å; S255-N257 VanDerWaalsContact C-N 3.28Å; S255-N257 PolarHBondContact O-N 2.8Å; N257-S260 PolarHBondContact O-N 3.31Å; N257-T261 WeakPolarHBondContact O-CB 3.48Å; N257-T261 PolarHBondContact O-N 3.45Å; N257-T261 PolarHBondContact O-OG1 2.88Å |
| 258 | F | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 178.9 | -79.1 | 20.3 | 0 | 0 | 0 | 111.4 | M172 G176 L180 L189 G254 S255 S260 T261 I262 Y277 S281 | M172-F258 HydrophobicContact CE-CD2 3.27Å; M172-F258 HydrophobicContact CE-CE2 3.49Å; M172-F258 VanDerWaalsContact CE-CE2 3.49Å; M172-F258 HydrophobicContact CE-CG 4.33Å; M172-F258 HydrophobicContact SD-CD2 4.41Å; M172-F258 HydrophobicContact SD-CE2 4.11Å; G176-F258 VanDerWaalsContact C-CZ 3.41Å; L180-F258 HydrophobicContact CD2-CB 3.85Å; L180-F258 HydrophobicContact CD2-CD1 3.8Å; L180-F258 HydrophobicContact CD2-CD2 3.68Å; L180-F258 HydrophobicContact CD2-CE1 4.29Å; L180-F258 HydrophobicContact CD2-CE2 4.21Å; L180-F258 HydrophobicContact CD2-CG 3.49Å; L180-F258 VanDerWaalsContact CD2-CG 3.49Å; L189-F258 HydrophobicContact CD1-CD1 4.43Å; L189-F258 HydrophobicContact CD1-CE1 3.95Å; L189-F258 HydrophobicContact CD2-CD1 3.99Å; L189-F258 HydrophobicContact CD2-CE1 4.09Å; G254-F258 WeakPolarHBondContact O-CD1 3.22Å; G254-F258 PolarHBondContact O-N 3.14Å; S255-F258 PolarHBondContact O-N 3.32Å; F258-S260 PolarHBondContact O-N 3.15Å; F258-T261 PolarHBondContact O-N 2.84Å; F258-I262 WeakPolarHBondContact O-CB 3.49Å; F258-I262 WeakPolarHBondContact O-CG1 3.24Å; F258-I262 PolarHBondContact O-N 3.36Å; F258-Y277 HydrophobicContact CD2-CD1 4.36Å; F258-Y277 HydrophobicContact CE2-CD1 4.17Å; F258-S281 WeakPolarHBondContact CB-OG 3.32Å |
| 259 | I | 98.6 | Very high | 96.8 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -48.3 | 177.2 | -72.8 | 165.2 | 0 | 0 | 0 | 111.1 | S255 T261 I262 F263 L278 V282 L285 | S255-I259 WeakPolarHBondContact O-CB 3.17Å; S255-I259 VanDerWaalsContact O-CG1 3.32Å; S255-I259 WeakPolarHBondContact O-CG1 3.37Å; S255-I259 PolarHBondContact O-N 3.17Å; I259-T261 VanDerWaalsContact C-N 3.3Å; I259-T261 PolarHBondContact O-N 3.21Å; I259-I262 PolarHBondContact O-N 3.1Å; I259-F263 HydrophobicContact CG2-CD2 3.45Å; I259-F263 VanDerWaalsContact CG2-CD2 3.45Å; I259-F263 HydrophobicContact CG2-CE2 3.34Å; I259-F263 HydrophobicContact CG2-CZ 4.41Å; I259-F263 WeakPolarHBondContact O-CB 3.47Å; I259-F263 WeakPolarHBondContact O-CD2 3.48Å; I259-F263 PolarHBondContact O-N 3.16Å; I259-L278 HydrophobicContact CG1-CD1 4.33Å; I259-V282 HydrophobicContact CD1-CG2 4.23Å; I259-L285 HydrophobicContact CD1-CD1 3.32Å; I259-L285 HydrophobicContact CD1-CG 4.04Å |
| 260 | S | 98.2 | Very high | 96.7 | Very high | 46 Ų | 46 | 46.6 Ų | 46.6 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | L190 V256 N257 F258 S264 | L190-S260 WeakPolarHBondContact CD1-O 3.2Å; V256-S260 WeakPolarHBondContact O-CB 3.1Å; V256-S260 PolarHBondContact O-N 2.91Å; V256-S260 PolarHBondContact O-OG 3.16Å; N257-S260 PolarHBondContact O-N 3.31Å; F258-S260 PolarHBondContact O-N 3.15Å; S260-S264 PolarHBondContact O-N 2.94Å |
| 261 | T | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -46.6 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | L184 L186 L189 L190 N257 F258 I259 S264 | L184-T261 HydrophobicContact CD1-CG2 3.86Å; L186-T261 HydrophobicContact CD1-CG2 3.54Å; L189-T261 HydrophobicContact CD2-CG2 4.03Å; L190-T261 HydrophobicContact CG-CG2 4.32Å; L190-T261 PolarHBondContact N-OG1 3.17Å; N257-T261 WeakPolarHBondContact O-CB 3.48Å; N257-T261 PolarHBondContact O-N 3.45Å; N257-T261 PolarHBondContact O-OG1 2.88Å; F258-T261 PolarHBondContact O-N 2.84Å; I259-T261 VanDerWaalsContact C-N 3.3Å; I259-T261 PolarHBondContact O-N 3.21Å; T261-S264 WeakPolarHBondContact O-CB 3.34Å; T261-S264 PolarHBondContact O-N 3.33Å; T261-S264 PolarHBondContact O-OG 3.06Å |
| 262 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 179.8 | -68.5 | 165.1 | 0 | 0 | 0 | 110.7 | L180 L184 F258 I259 S264 R265 L266 V274 L278 | L180-I262 HydrophobicContact CD1-CD1 3.98Å; L180-I262 HydrophobicContact CD1-CG1 3.81Å; L180-I262 HydrophobicContact CD2-CD1 4.07Å; L180-I262 HydrophobicContact CD2-CG1 4.04Å; L180-I262 HydrophobicContact CG-CG1 4.34Å; L184-I262 HydrophobicContact CD1-CG1 4.07Å; F258-I262 WeakPolarHBondContact O-CB 3.49Å; F258-I262 WeakPolarHBondContact O-CG1 3.24Å; F258-I262 PolarHBondContact O-N 3.36Å; I259-I262 PolarHBondContact O-N 3.1Å; I262-S264 PolarHBondContact O-N 2.85Å; I262-S264 VanDerWaalsContact O-N 3.08Å; I262-R265 CarbonylContact O-C 3.41Å; I262-R265 PolarHBondContact O-N 2.78Å; I262-L266 HydrophobicContact CG2-CB 4.16Å; I262-L266 HydrophobicContact CG2-CD1 3.84Å; I262-L266 HydrophobicContact CG2-CG 4.4Å; I262-L266 WeakPolarHBondContact O-CA 3.45Å; I262-L266 WeakPolarHBondContact O-CB 3.41Å; I262-L266 PolarHBondContact O-N 3.47Å; I262-V274 HydrophobicContact CG1-CG1 4.21Å; I262-V274 HydrophobicContact CG2-CG1 3.74Å; I262-L278 HydrophobicContact CB-CD1 4.45Å; I262-L278 HydrophobicContact CD1-CB 3.94Å; I262-L278 HydrophobicContact CD1-CD1 4.47Å; I262-L278 HydrophobicContact CG2-CB 4.22Å; I262-L278 HydrophobicContact CG2-CD1 4.09Å; I262-L278 HydrophobicContact CG2-CD2 4.32Å; I262-L278 HydrophobicContact CG2-CG 4.44Å |
| 263 | F | 98 | Very high | 96.4 | Very high | 127 Ų | 127 | 45 Ų | 45 | 56% | 0.557 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.4 | -20.2 | -179 | -76.4 | -41.4 | 0 | 0 | 0 | 114 | I259 R265 L266 L278 | I259-F263 HydrophobicContact CG2-CD2 3.45Å; I259-F263 VanDerWaalsContact CG2-CD2 3.45Å; I259-F263 HydrophobicContact CG2-CE2 3.34Å; I259-F263 HydrophobicContact CG2-CZ 4.41Å; I259-F263 WeakPolarHBondContact O-CB 3.47Å; I259-F263 WeakPolarHBondContact O-CD2 3.48Å; I259-F263 PolarHBondContact O-N 3.16Å; F263-R265 PolarHBondContact O-N 3.37Å; F263-L266 HydrophobicContact CD1-CD2 3.89Å; F263-L266 HydrophobicContact CE1-CD2 3.93Å; F263-L278 HydrophobicContact CE1-CD1 4.16Å; F263-L278 HydrophobicContact CE1-CD2 4.35Å; F263-L278 HydrophobicContact CZ-CD1 4.04Å |
| 264 | S | 97.3 | Very high | 96.5 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 38% | 0.378 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21.4 | 174.8 | 78.2 | 0 | 0 | 0 | 0 | 114.4 | S260 T261 I262 | S260-S264 PolarHBondContact O-N 2.94Å; T261-S264 WeakPolarHBondContact O-CB 3.34Å; T261-S264 PolarHBondContact O-N 3.33Å; T261-S264 PolarHBondContact O-OG 3.06Å; I262-S264 PolarHBondContact O-N 2.85Å; I262-S264 VanDerWaalsContact O-N 3.08Å |
| 265 | R | 96 | Very high | 96.6 | Very high | 142 Ų | 142 | 45.2 Ų | 45.2 | 54% | 0.536 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | 3.7 | -175.8 | -67.2 | -60.2 | -176.5 | 106.2 | 1.3 | 114.2 | L184 L186 I262 F263 S267 | L184-R265 HydrophobicContact CB-CB 4.44Å; L184-R265 HydrophobicContact CD2-CB 4.11Å; L186-R265 HydrophobicContact CD1-CG 4.27Å; L186-R265 HydrophobicContact CD2-CG 3.94Å; L186-R265 HydrophobicContact CG-CG 4.25Å; I262-R265 CarbonylContact O-C 3.41Å; I262-R265 PolarHBondContact O-N 2.78Å; F263-R265 PolarHBondContact O-N 3.37Å; R265-S267 PolarHBondContact O-N 2.89Å |
| 266 | L | 96.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 28% | 0.277 | 22% | 0.224 | S | C | . | . | trans | -58.7 | 128.1 | -175.1 | -175.9 | 66.1 | 0 | 0 | 0 | 110.8 | I262 F263 V274 W275 L278 | I262-L266 HydrophobicContact CG2-CB 4.16Å; I262-L266 HydrophobicContact CG2-CD1 3.84Å; I262-L266 HydrophobicContact CG2-CG 4.4Å; I262-L266 WeakPolarHBondContact O-CA 3.45Å; I262-L266 WeakPolarHBondContact O-CB 3.41Å; I262-L266 PolarHBondContact O-N 3.47Å; F263-L266 HydrophobicContact CD1-CD2 3.89Å; F263-L266 HydrophobicContact CE1-CD2 3.93Å; L266-V274 HydrophobicContact CD1-CG1 4.22Å; L266-W275 HydrophobicContact CD1-CD2 4.32Å; L266-W275 HydrophobicContact CD1-CE3 4.35Å; L266-W275 HydrophobicContact CD1-CH2 3.95Å; L266-W275 HydrophobicContact CD1-CZ2 3.9Å; L266-W275 HydrophobicContact CD1-CZ3 4.18Å; L266-W275 HydrophobicContact CD2-CH2 4.06Å; L266-W275 HydrophobicContact CD2-CZ3 4.18Å; L266-W275 HydrophobicContact CG-CH2 4.19Å; L266-W275 HydrophobicContact CG-CZ2 4.41Å; L266-L278 HydrophobicContact CD1-CD2 4.39Å; L266-L278 HydrophobicContact CD2-CD2 3.84Å | ||
| 267 | S | 95.3 | Very high | 96.6 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 35% | 0.35 | 21% | 0.207 | S | C | . | . | trans | -145 | 160.8 | 171.6 | 74.1 | 0 | 0 | 0 | 0 | 109.6 | R265 K269 C270 | R265-S267 PolarHBondContact O-N 2.89Å; S267-K269 PolarHBondContact O-N 3.36Å; S267-K269 PolarHBondContact OG-N 2.81Å; S267-C270 PolarHBondContact N-SG 2.68Å; S267-C270 WeakPolarHBondContact O-CB 3.25Å; S267-C270 PolarHBondContact O-N 3.26Å; S267-C270 VanDerWaalsContact O-N 3.07Å; S267-C270 PolarHBondContact O-SG 2.97Å; S267-C270 PolarHBondContact OG-SG 3.08Å | ||
| 268 | F | 93.5 | Very high | 96.7 | Very high | 130 Ų | 130 | 42.7 Ų | 42.7 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 2.8 | 171.3 | -70 | -73 | 0 | 0 | 0 | 113.6 | W275 Y359 Y360 | F268-W275 HydrophobicContact CD1-CH2 4.19Å; F268-W275 AromaticContact CD1-CZ2 3.75Å; F268-W275 HydrophobicContact CD1-CZ2 3.75Å; F268-W275 AromaticContact CE1-CH2 3.92Å; F268-W275 HydrophobicContact CE1-CH2 3.92Å; F268-W275 AromaticContact CE1-CZ2 3.97Å; F268-W275 HydrophobicContact CE1-CZ2 3.97Å; F268-W275 HydrophobicContact CG-CZ2 4.47Å; F268-Y359 VanDerWaalsContact C-OH 3.3Å; F268-Y359 WeakPolarHBondContact O-CE1 3.35Å; F268-Y359 PolarHBondContact O-OH 3.01Å; F268-Y360 HydrophobicContact CB-CE1 4.42Å; F268-Y360 HydrophobicContact CD1-CE1 4.12Å; F268-Y360 HydrophobicContact CG-CE1 4.43Å |
| 269 | K | 90.9 | Very high | 96.7 | Very high | 197 Ų | 197 | 43.9 Ų | 43.9 | 86% | 0.857 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -3.7 | 171.6 | -58.1 | -174.8 | -179.7 | -176.8 | 0 | 113.3 | S267 | S267-K269 PolarHBondContact O-N 3.36Å; S267-K269 PolarHBondContact OG-N 2.81Å |
| 270 | C | 94.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 10% | 0.095 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -66.8 | 153.1 | -179.7 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | S267 V274 Y359 | S267-C270 PolarHBondContact N-SG 2.68Å; S267-C270 WeakPolarHBondContact O-CB 3.25Å; S267-C270 PolarHBondContact O-N 3.26Å; S267-C270 VanDerWaalsContact O-N 3.07Å; S267-C270 PolarHBondContact O-SG 2.97Å; S267-C270 PolarHBondContact OG-SG 3.08Å; C270-V274 HydrophobicContact CB-CB 3.97Å; C270-V274 HydrophobicContact CB-CG1 4.09Å; C270-V274 HydrophobicContact CB-CG2 4.12Å; C270-Y359 PolarHBondContact O-OH 3.13Å |
| 271 | S | 93.9 | Very high | 96.7 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | trans | -55.9 | 149 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | M273 V274 | S271-M273 PolarHBondContact O-N 3.15Å; S271-M273 PolarHBondContact OG-N 2.62Å; S271-V274 WeakPolarHBondContact O-CB 3.3Å; S271-V274 PolarHBondContact O-N 2.78Å | ||
| 272 | M | 95.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.5 | -27 | 171.2 | -72 | -56.6 | -57.1 | 0 | 0 | 112.8 | W275 A276 Y359 L362 I363 M366 | M272-W275 PolarHBondContact O-N 3.11Å; M272-A276 WeakPolarHBondContact O-CB 3.03Å; M272-A276 PolarHBondContact O-N 3.09Å; M272-Y359 HydrophobicContact CG-CD2 4.19Å; M272-Y359 HydrophobicContact CG-CE2 4.21Å; M272-Y359 HydrophobicContact SD-CD2 3.52Å; M272-Y359 VanDerWaalsContact SD-CD2 3.52Å; M272-Y359 HydrophobicContact SD-CE2 3.54Å; M272-Y359 VanDerWaalsContact SD-CE2 3.54Å; M272-Y359 HydrophobicContact SD-CG 4.49Å; M272-L362 HydrophobicContact CE-CB 3.4Å; M272-L362 VanDerWaalsContact CE-CB 3.4Å; M272-L362 HydrophobicContact CE-CD1 4.23Å; M272-L362 HydrophobicContact CE-CG 4.45Å; M272-L362 HydrophobicContact SD-CB 4.19Å; M272-L362 HydrophobicContact SD-CD1 4.5Å; M272-I363 HydrophobicContact CE-CG1 4.3Å; M272-I363 HydrophobicContact SD-CG1 4.09Å; M272-M366 HydrophobicContact CE-CE 3.36Å; M272-M366 HydrophobicContact CE-SD 4.3Å |
| 273 | M | 95.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 172.8 | -73.8 | -64.2 | -76.5 | 0 | 0 | 113 | F183 S271 A276 Y277 M342 H345 M482 W486 | F183-M273 HydrophobicContact CD2-CB 3.82Å; F183-M273 HydrophobicContact CD2-CG 4.36Å; F183-M273 HydrophobicContact CE2-CB 3.7Å; F183-M273 HydrophobicContact CE2-CE 4.17Å; F183-M273 HydrophobicContact CE2-CG 3.71Å; F183-M273 HydrophobicContact CG-CB 4.35Å; F183-M273 HydrophobicContact CZ-CB 4.15Å; F183-M273 HydrophobicContact CZ-CG 3.84Å; S271-M273 PolarHBondContact O-N 3.15Å; S271-M273 PolarHBondContact OG-N 2.62Å; M273-A276 PolarHBondContact O-N 2.99Å; M273-Y277 HydrophobicContact CE-CD2 4.49Å; M273-Y277 HydrophobicContact CE-CE2 3.55Å; M273-Y277 WeakPolarHBondContact O-CD2 3.37Å; M273-Y277 PolarHBondContact O-N 3.13Å; M273-M342 HydrophobicContact CE-CB 4.22Å; M273-M342 WeakPolarHBondContact SD-CA 3.13Å; M273-M342 HydrophobicContact SD-CB 3.59Å; M273-M342 VanDerWaalsContact SD-CB 3.59Å; M273-M342 PolarHBondContact SD-N 3.22Å; M273-H345 HydrophobicContact CG-CB 4.4Å; M273-M482 HydrophobicContact CE-CE 3.64Å; M273-M482 HydrophobicContact SD-CE 4.31Å; M273-W486 HydrophobicContact CE-CH2 3.82Å; M273-W486 HydrophobicContact CE-CZ3 4.11Å; M273-W486 HydrophobicContact CG-CH2 4.42Å; M273-W486 HydrophobicContact SD-CH2 4.24Å |
| 274 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65 | -45.3 | -179.8 | 177 | 0 | 0 | 0 | 0 | 110.3 | F183 L184 I262 L266 C270 S271 Y277 L278 | F183-V274 HydrophobicContact CB-CG2 3.7Å; L184-V274 HydrophobicContact CD2-CB 4.47Å; L184-V274 HydrophobicContact CD2-CG1 3.66Å; L184-V274 HydrophobicContact CD2-CG2 3.91Å; L184-V274 HydrophobicContact CG-CG2 4.3Å; I262-V274 HydrophobicContact CG1-CG1 4.21Å; I262-V274 HydrophobicContact CG2-CG1 3.74Å; L266-V274 HydrophobicContact CD1-CG1 4.22Å; C270-V274 HydrophobicContact CB-CB 3.97Å; C270-V274 HydrophobicContact CB-CG1 4.09Å; C270-V274 HydrophobicContact CB-CG2 4.12Å; S271-V274 WeakPolarHBondContact O-CB 3.3Å; S271-V274 PolarHBondContact O-N 2.78Å; V274-Y277 PolarHBondContact O-N 3.41Å; V274-L278 WeakPolarHBondContact O-CB 3.47Å; V274-L278 PolarHBondContact O-N 3.01Å |
| 275 | W | 98.2 | Very high | 96.5 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.1 | -70.7 | 105.2 | 0 | 0 | 0 | 112.1 | L266 F268 M272 Y277 L278 F279 Y359 I363 M366 | L266-W275 HydrophobicContact CD1-CD2 4.32Å; L266-W275 HydrophobicContact CD1-CE3 4.35Å; L266-W275 HydrophobicContact CD1-CH2 3.95Å; L266-W275 HydrophobicContact CD1-CZ2 3.9Å; L266-W275 HydrophobicContact CD1-CZ3 4.18Å; L266-W275 HydrophobicContact CD2-CH2 4.06Å; L266-W275 HydrophobicContact CD2-CZ3 4.18Å; L266-W275 HydrophobicContact CG-CH2 4.19Å; L266-W275 HydrophobicContact CG-CZ2 4.41Å; F268-W275 HydrophobicContact CD1-CH2 4.19Å; F268-W275 AromaticContact CD1-CZ2 3.75Å; F268-W275 HydrophobicContact CD1-CZ2 3.75Å; F268-W275 AromaticContact CE1-CH2 3.92Å; F268-W275 HydrophobicContact CE1-CH2 3.92Å; F268-W275 AromaticContact CE1-CZ2 3.97Å; F268-W275 HydrophobicContact CE1-CZ2 3.97Å; F268-W275 HydrophobicContact CG-CZ2 4.47Å; M272-W275 PolarHBondContact O-N 3.11Å; W275-Y277 PolarHBondContact O-N 3.03Å; W275-L278 HydrophobicContact CE3-CD2 4.05Å; W275-L278 HydrophobicContact CZ3-CD2 4.07Å; W275-L278 WeakPolarHBondContact O-CB 3.03Å; W275-L278 PolarHBondContact O-N 2.77Å; W275-F279 HydrophobicContact CB-CD2 4.44Å; W275-F279 HydrophobicContact CB-CE2 4.21Å; W275-F279 AromaticContact CE3-CE2 3.98Å; W275-F279 HydrophobicContact CE3-CE2 3.98Å; W275-F279 HydrophobicContact CE3-CZ 4.02Å; W275-F279 HydrophobicContact CZ3-CZ 4.47Å; W275-F279 WeakPolarHBondContact O-CD2 3.48Å; W275-F279 PolarHBondContact O-N 3.03Å; W275-Y359 PolarHBondContact NE1-OH 3.45Å; W275-Y359 VanDerWaalsContact NE1-OH 3.09Å; W275-I363 HydrophobicContact CD2-CD1 4.06Å; W275-I363 HydrophobicContact CD2-CG1 4.17Å; W275-I363 HydrophobicContact CD2-CG2 4.16Å; W275-I363 HydrophobicContact CE3-CG2 4.06Å; W275-I363 HydrophobicContact CG-CD1 4.12Å; W275-I363 HydrophobicContact CG-CG1 3.97Å; W275-I363 HydrophobicContact CZ2-CD1 4.17Å; W275-I363 HydrophobicContact CZ3-CG2 4.35Å; W275-M366 HydrophobicContact CB-CE 3.58Å |
| 276 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -47.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M272 M273 F279 T280 L337 M366 | M272-A276 WeakPolarHBondContact O-CB 3.03Å; M272-A276 PolarHBondContact O-N 3.09Å; M273-A276 PolarHBondContact O-N 2.99Å; A276-F279 PolarHBondContact O-N 3.03Å; A276-T280 WeakPolarHBondContact O-CB 3.28Å; A276-T280 PolarHBondContact O-N 3.14Å; A276-T280 PolarHBondContact O-OG1 3.39Å; A276-L337 VanDerWaalsContact CB-O 3.29Å; A276-L337 WeakPolarHBondContact CB-O 3.44Å; A276-M366 HydrophobicContact CB-SD 4.1Å |
| 277 | Y | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.9 | -36.1 | 176.9 | -76.9 | -59.1 | 0 | 0 | 0 | 113 | L171 M172 F175 G176 L180 F258 M273 V274 W275 T280 S281 P338 | L171-Y277 WeakPolarHBondContact O-CE1 3.41Å; L171-Y277 PolarHBondContact O-OH 2.85Å; L171-Y277 VanDerWaalsContact O-OH 3.05Å; M172-Y277 HydrophobicContact CE-CD1 4.04Å; M172-Y277 HydrophobicContact SD-CD1 3.6Å; M172-Y277 HydrophobicContact SD-CE1 3.83Å; F175-Y277 VanDerWaalsContact CB-OH 3.25Å; F175-Y277 WeakPolarHBondContact CB-OH 3.3Å; G176-Y277 VanDerWaalsContact CA-CZ 3.41Å; G176-Y277 PolarHBondContact N-OH 3.12Å; G176-Y277 VanDerWaalsContact N-OH 3.14Å; L180-Y277 HydrophobicContact CD1-CD2 4.19Å; F258-Y277 HydrophobicContact CD2-CD1 4.36Å; F258-Y277 HydrophobicContact CE2-CD1 4.17Å; M273-Y277 HydrophobicContact CE-CD2 4.49Å; M273-Y277 HydrophobicContact CE-CE2 3.55Å; M273-Y277 WeakPolarHBondContact O-CD2 3.37Å; M273-Y277 PolarHBondContact O-N 3.13Å; V274-Y277 PolarHBondContact O-N 3.41Å; W275-Y277 PolarHBondContact O-N 3.03Å; Y277-T280 PolarHBondContact O-N 3.02Å; Y277-S281 WeakPolarHBondContact O-CB 3.35Å; Y277-S281 PolarHBondContact O-N 2.71Å; Y277-S281 PolarHBondContact O-OG 2.63Å; Y277-S281 VanDerWaalsContact O-OG 3.11Å; Y277-P338 HydrophobicContact CD1-CG 4.44Å; Y277-P338 HydrophobicContact CE1-CB 3.95Å; Y277-P338 HydrophobicContact CE1-CG 4.09Å |
| 278 | L | 98.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.4 | -53.4 | 174.4 | -179.9 | 61.2 | 0 | 0 | 0 | 111.2 | I259 I262 F263 L266 V274 W275 T280 S281 V282 | I259-L278 HydrophobicContact CG1-CD1 4.33Å; I262-L278 HydrophobicContact CB-CD1 4.45Å; I262-L278 HydrophobicContact CD1-CB 3.94Å; I262-L278 HydrophobicContact CD1-CD1 4.47Å; I262-L278 HydrophobicContact CG2-CB 4.22Å; I262-L278 HydrophobicContact CG2-CD1 4.09Å; I262-L278 HydrophobicContact CG2-CD2 4.32Å; I262-L278 HydrophobicContact CG2-CG 4.44Å; F263-L278 HydrophobicContact CE1-CD1 4.16Å; F263-L278 HydrophobicContact CE1-CD2 4.35Å; F263-L278 HydrophobicContact CZ-CD1 4.04Å; L266-L278 HydrophobicContact CD1-CD2 4.39Å; L266-L278 HydrophobicContact CD2-CD2 3.84Å; V274-L278 WeakPolarHBondContact O-CB 3.47Å; V274-L278 PolarHBondContact O-N 3.01Å; W275-L278 HydrophobicContact CE3-CD2 4.05Å; W275-L278 HydrophobicContact CZ3-CD2 4.07Å; W275-L278 WeakPolarHBondContact O-CB 3.03Å; W275-L278 PolarHBondContact O-N 2.77Å; L278-T280 VanDerWaalsContact C-N 3.33Å; L278-T280 PolarHBondContact O-N 3.48Å; L278-S281 PolarHBondContact O-N 2.74Å; L278-V282 HydrophobicContact CD1-CG2 4.5Å; L278-V282 WeakPolarHBondContact O-CG2 3.2Å; L278-V282 PolarHBondContact O-N 2.85Å |
| 279 | F | 98.5 | Very high | 96.7 | Very high | 27 Ų | 27 | 25.8 Ų | 25.8 | 12% | 0.118 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | -178.6 | -71.9 | -50.3 | 0 | 0 | 0 | 112.2 | W275 A276 V282 L283 L337 I363 M366 A367 V370 | W275-F279 HydrophobicContact CB-CD2 4.44Å; W275-F279 HydrophobicContact CB-CE2 4.21Å; W275-F279 AromaticContact CE3-CE2 3.98Å; W275-F279 HydrophobicContact CE3-CE2 3.98Å; W275-F279 HydrophobicContact CE3-CZ 4.02Å; W275-F279 HydrophobicContact CZ3-CZ 4.47Å; W275-F279 WeakPolarHBondContact O-CD2 3.48Å; W275-F279 PolarHBondContact O-N 3.03Å; A276-F279 PolarHBondContact O-N 3.03Å; F279-V282 PolarHBondContact O-N 3.47Å; F279-L283 PolarHBondContact O-N 3.5Å; F279-L337 HydrophobicContact CB-CD1 4.12Å; F279-I363 HydrophobicContact CE2-CG2 4.22Å; F279-I363 HydrophobicContact CZ-CG2 4.26Å; F279-M366 HydrophobicContact CD2-CB 3.48Å; F279-M366 VanDerWaalsContact CD2-CB 3.48Å; F279-M366 HydrophobicContact CD2-CE 4.12Å; F279-M366 HydrophobicContact CE2-CB 3.77Å; F279-M366 HydrophobicContact CE2-CE 4.15Å; F279-M366 HydrophobicContact CG-CB 4.32Å; F279-A367 HydrophobicContact CE1-CB 3.82Å; F279-A367 HydrophobicContact CE2-CB 4.45Å; F279-A367 HydrophobicContact CZ-CB 3.68Å; F279-V370 HydrophobicContact CB-CG2 3.56Å; F279-V370 HydrophobicContact CD1-CG2 3.74Å; F279-V370 HydrophobicContact CG-CG2 3.9Å |
| 280 | T | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 174 | -57 | 0 | 0 | 0 | 0 | 111.4 | M172 A276 Y277 L278 V282 L283 L284 V334 L337 P338 | M172-T280 HydrophobicContact CE-CG2 3.97Å; M172-T280 HydrophobicContact SD-CG2 3.53Å; M172-T280 VanDerWaalsContact SD-CG2 3.53Å; A276-T280 WeakPolarHBondContact O-CB 3.28Å; A276-T280 PolarHBondContact O-N 3.14Å; A276-T280 PolarHBondContact O-OG1 3.39Å; Y277-T280 PolarHBondContact O-N 3.02Å; L278-T280 VanDerWaalsContact C-N 3.33Å; L278-T280 PolarHBondContact O-N 3.48Å; T280-V282 VanDerWaalsContact C-N 3.34Å; T280-V282 PolarHBondContact O-N 3.11Å; T280-L283 PolarHBondContact O-N 2.96Å; T280-L284 HydrophobicContact CG2-CD1 4.18Å; T280-L284 WeakPolarHBondContact O-CG 3.42Å; T280-L284 PolarHBondContact O-N 3.01Å; T280-L284 VanDerWaalsContact O-N 3.07Å; T280-V334 HydrophobicContact CG2-CB 4.13Å; T280-V334 HydrophobicContact CG2-CG1 3.58Å; T280-V334 HydrophobicContact CG2-CG2 4.4Å; T280-L337 WeakPolarHBondContact OG1-CB 3.42Å; T280-P338 HydrophobicContact CG2-CG 4.23Å; T280-P338 WeakPolarHBondContact OG1-CD 3.4Å |
| 281 | S | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.4 | -34.5 | 177.8 | -65.4 | 0 | 0 | 0 | 0 | 113.4 | M172 F258 Y277 L278 L285 | M172-S281 WeakPolarHBondContact CE-OG 3.47Å; F258-S281 WeakPolarHBondContact CB-OG 3.32Å; Y277-S281 WeakPolarHBondContact O-CB 3.35Å; Y277-S281 PolarHBondContact O-N 2.71Å; Y277-S281 PolarHBondContact O-OG 2.63Å; Y277-S281 VanDerWaalsContact O-OG 3.11Å; L278-S281 PolarHBondContact O-N 2.74Å; S281-L285 PolarHBondContact O-N 3.33Å; S281-L285 VanDerWaalsContact O-N 3.1Å |
| 282 | V | 98.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 15.7 Ų | 15.7 | 33% | 0.333 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 174.5 | 169 | 0 | 0 | 0 | 0 | 110.9 | I259 L278 F279 T280 L284 L285 L286 V370 | I259-V282 HydrophobicContact CD1-CG2 4.23Å; L278-V282 HydrophobicContact CD1-CG2 4.5Å; L278-V282 WeakPolarHBondContact O-CG2 3.2Å; L278-V282 PolarHBondContact O-N 2.85Å; F279-V282 PolarHBondContact O-N 3.47Å; T280-V282 VanDerWaalsContact C-N 3.34Å; T280-V282 PolarHBondContact O-N 3.11Å; V282-L284 PolarHBondContact O-N 2.94Å; V282-L285 PolarHBondContact O-N 3.01Å; V282-L286 WeakPolarHBondContact O-CB 3.39Å; V282-L286 PolarHBondContact O-N 3.2Å; V282-L286 VanDerWaalsContact O-N 3.08Å; V282-V370 HydrophobicContact CG1-CG1 4.23Å |
| 283 | L | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.6 | -46.9 | 175.8 | -80.1 | 171.3 | 0 | 0 | 0 | 111.7 | F279 T280 L285 L286 S287 P330 V334 L337 V370 | F279-L283 PolarHBondContact O-N 3.5Å; T280-L283 PolarHBondContact O-N 2.96Å; L283-L285 PolarHBondContact O-N 3.46Å; L283-L286 PolarHBondContact O-N 3.09Å; L283-L286 VanDerWaalsContact O-N 3.12Å; L283-S287 WeakPolarHBondContact O-CB 3.32Å; L283-S287 PolarHBondContact O-N 3.37Å; L283-S287 PolarHBondContact O-OG 2.93Å; L283-P330 HydrophobicContact CD2-CB 4.14Å; L283-V334 HydrophobicContact CB-CG2 3.79Å; L283-V334 HydrophobicContact CD1-CG2 4.33Å; L283-L337 HydrophobicContact CD1-CD1 3.73Å; L283-V370 HydrophobicContact CD1-CG2 4Å; L283-V370 HydrophobicContact CD2-CB 4.27Å; L283-V370 HydrophobicContact CD2-CG1 3.83Å; L283-V370 HydrophobicContact CD2-CG2 4.43Å; L283-V370 HydrophobicContact CG-CB 4.29Å; L283-V370 HydrophobicContact CG-CG1 3.97Å; L283-V370 HydrophobicContact CG-CG2 3.92Å |
| 284 | L | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 179.1 | -71.2 | 163.3 | 0 | 0 | 0 | 112.9 | M168 M172 S255 T280 V282 L286 L288 V334 | M168-L284 HydrophobicContact CE-CD1 3.48Å; M168-L284 VanDerWaalsContact CE-CD1 3.48Å; M168-L284 HydrophobicContact CE-CD2 3.48Å; M168-L284 VanDerWaalsContact CE-CD2 3.48Å; M168-L284 HydrophobicContact CE-CG 4.1Å; M172-L284 HydrophobicContact CE-CD1 4.3Å; M172-L284 HydrophobicContact CG-CD1 4.45Å; S255-L284 VanDerWaalsContact OG-CB 3.28Å; S255-L284 WeakPolarHBondContact OG-CB 3.23Å; S255-L284 WeakPolarHBondContact OG-CD1 3.48Å; T280-L284 HydrophobicContact CG2-CD1 4.18Å; T280-L284 WeakPolarHBondContact O-CG 3.42Å; T280-L284 PolarHBondContact O-N 3.01Å; T280-L284 VanDerWaalsContact O-N 3.07Å; V282-L284 PolarHBondContact O-N 2.94Å; L284-L286 VanDerWaalsContact C-N 3.28Å; L284-L286 PolarHBondContact O-N 3.09Å; L284-L288 HydrophobicContact CB-CD1 4.11Å; L284-L288 HydrophobicContact CD2-CD1 3.67Å; L284-L288 HydrophobicContact CD2-CG 4.08Å; L284-L288 VanDerWaalsContact O-CB 3.31Å; L284-L288 WeakPolarHBondContact O-CB 3.14Å; L284-L288 WeakPolarHBondContact O-CG 3.24Å; L284-L288 PolarHBondContact O-N 3.32Å; L284-V334 HydrophobicContact CD1-CG1 4Å; L284-V334 HydrophobicContact CD2-CB 4.41Å; L284-V334 HydrophobicContact CD2-CG1 3.7Å; L284-V334 HydrophobicContact CD2-CG2 3.92Å; L284-V334 HydrophobicContact CG-CG1 3.87Å; L284-V334 HydrophobicContact CG-CG2 3.85Å |
| 285 | L | 96.2 | Very high | 97.3 | Very high | 65 Ų | 65 | 16 Ų | 16 | 34% | 0.34 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -64.8 | -33.5 | 175.9 | -78.6 | -170.8 | 0 | 0 | 0 | 112.8 | L252 V256 I259 S281 V282 L283 P289 | L252-L285 HydrophobicContact CD2-CD2 3.82Å; V256-L285 HydrophobicContact CG2-CD1 4.48Å; V256-L285 HydrophobicContact CG2-CD2 3.85Å; I259-L285 HydrophobicContact CD1-CD1 3.32Å; I259-L285 HydrophobicContact CD1-CG 4.04Å; S281-L285 PolarHBondContact O-N 3.33Å; S281-L285 VanDerWaalsContact O-N 3.1Å; V282-L285 PolarHBondContact O-N 3.01Å; L283-L285 PolarHBondContact O-N 3.46Å; L285-P289 WeakPolarHBondContact O-CD 3.31Å; L285-P289 WeakPolarHBondContact O-CG 3.43Å |
| 286 | L | 95.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 16.7 Ų | 16.7 | 45% | 0.445 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -76.7 | -43 | -179.9 | -178.4 | 65.9 | 0 | 0 | 0 | 112 | V282 L283 L284 S374 | V282-L286 WeakPolarHBondContact O-CB 3.39Å; V282-L286 PolarHBondContact O-N 3.2Å; V282-L286 VanDerWaalsContact O-N 3.08Å; L283-L286 PolarHBondContact O-N 3.09Å; L283-L286 VanDerWaalsContact O-N 3.12Å; L284-L286 VanDerWaalsContact C-N 3.28Å; L284-L286 PolarHBondContact O-N 3.09Å; L286-S374 VanDerWaalsContact CD2-OG 3.28Å; L286-S374 WeakPolarHBondContact CD2-OG 3.04Å |
| 287 | S | 95.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -95.8 | -41.5 | -164.3 | 71.5 | 0 | 0 | 0 | 0 | 114.1 | L283 P289 V290 L291 | L283-S287 WeakPolarHBondContact O-CB 3.32Å; L283-S287 PolarHBondContact O-N 3.37Å; L283-S287 PolarHBondContact O-OG 2.93Å; S287-P289 VanDerWaalsContact C-CD 3.45Å; S287-V290 WeakPolarHBondContact O-CB 3.23Å; S287-V290 PolarHBondContact O-N 2.99Å; S287-V290 VanDerWaalsContact O-N 3.08Å; S287-L291 PolarHBondContact O-N 3.05Å |
| 288 | L | 95.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.8 | -36.9 | -175.7 | -74 | 173.8 | 0 | 0 | 0 | 114.7 | L252 L284 V290 L291 A292 F327 | L252-L288 HydrophobicContact CD1-CB 4.46Å; L252-L288 HydrophobicContact CD2-CB 3.95Å; L252-L288 HydrophobicContact CD2-CD1 4.16Å; L252-L288 HydrophobicContact CG-CB 4.11Å; L252-L288 HydrophobicContact CG-CD1 3.99Å; L284-L288 HydrophobicContact CB-CD1 4.11Å; L284-L288 HydrophobicContact CD2-CD1 3.67Å; L284-L288 HydrophobicContact CD2-CG 4.08Å; L284-L288 VanDerWaalsContact O-CB 3.31Å; L284-L288 WeakPolarHBondContact O-CB 3.14Å; L284-L288 WeakPolarHBondContact O-CG 3.24Å; L284-L288 PolarHBondContact O-N 3.32Å; L288-V290 PolarHBondContact O-N 3.46Å; L288-L291 PolarHBondContact O-N 3.38Å; L288-A292 PolarHBondContact O-N 3.39Å; L288-F327 HydrophobicContact CD2-CD2 3.94Å; L288-F327 HydrophobicContact CD2-CE2 3.43Å; L288-F327 VanDerWaalsContact CD2-CE2 3.43Å; L288-F327 HydrophobicContact CD2-CZ 4.26Å; L288-F327 HydrophobicContact CG-CE2 4.32Å |
| 289 | P | 97.4 | Very high | 96.9 | Very high | 31 Ų | 31 | 19.1 Ų | 19.1 | 20% | 0.201 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.5 | -28.5 | 176.9 | -25 | 36.7 | 0 | 0 | 0 | 113.2 | L252 L285 S287 S293 | L252-P289 HydrophobicContact CD2-CG 4.24Å; L285-P289 WeakPolarHBondContact O-CD 3.31Å; L285-P289 WeakPolarHBondContact O-CG 3.43Å; S287-P289 VanDerWaalsContact C-CD 3.45Å; P289-S293 WeakPolarHBondContact O-CB 3.37Å; P289-S293 PolarHBondContact O-N 3.25Å |
| 290 | V | 97 | Very high | 96.8 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.024 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.9 | -40.6 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | I46 S287 L288 S293 G294 L323 F326 | I46-V290 HydrophobicContact CD1-CG2 4.43Å; I46-V290 HydrophobicContact CG2-CG2 4.17Å; S287-V290 WeakPolarHBondContact O-CB 3.23Å; S287-V290 PolarHBondContact O-N 2.99Å; S287-V290 VanDerWaalsContact O-N 3.08Å; L288-V290 PolarHBondContact O-N 3.46Å; V290-S293 PolarHBondContact O-N 2.98Å; V290-S293 PolarHBondContact O-OG 2.92Å; V290-G294 PolarHBondContact O-N 2.98Å; V290-L323 HydrophobicContact CG1-CB 4.22Å; V290-L323 HydrophobicContact CG1-CD2 3.74Å; V290-F326 HydrophobicContact CB-CD1 3.85Å; V290-F326 HydrophobicContact CB-CE1 4.41Å; V290-F326 HydrophobicContact CG1-CB 4.26Å; V290-F326 HydrophobicContact CG1-CD1 3.9Å; V290-F326 HydrophobicContact CG1-CG 4.33Å; V290-F326 HydrophobicContact CG2-CD1 3.62Å; V290-F326 HydrophobicContact CG2-CE1 3.69Å |
| 291 | L | 95.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 171.6 | 178.8 | 63.2 | 0 | 0 | 0 | 111.2 | F164 S287 L288 S293 G294 M295 F324 F327 | F164-L291 HydrophobicContact CZ-CD2 4.36Å; S287-L291 PolarHBondContact O-N 3.05Å; L288-L291 PolarHBondContact O-N 3.38Å; L291-S293 VanDerWaalsContact C-N 3.31Å; L291-S293 PolarHBondContact O-N 2.99Å; L291-G294 PolarHBondContact O-N 2.82Å; L291-M295 HydrophobicContact CD1-CE 4.48Å; L291-M295 HydrophobicContact CD1-CG 4.08Å; L291-M295 HydrophobicContact CD1-SD 4.16Å; L291-M295 HydrophobicContact CD2-CE 4.18Å; L291-M295 HydrophobicContact CD2-SD 4.46Å; L291-M295 HydrophobicContact CG-CE 3.8Å; L291-M295 HydrophobicContact CG-CG 4.37Å; L291-M295 HydrophobicContact CG-SD 4.1Å; L291-M295 WeakPolarHBondContact O-CG 3.31Å; L291-M295 PolarHBondContact O-N 3.02Å; L291-F324 HydrophobicContact CD1-CD2 3.77Å; L291-F324 HydrophobicContact CD1-CE2 4.11Å; L291-F327 HydrophobicContact CB-CB 3.78Å; L291-F327 HydrophobicContact CB-CD1 3.86Å; L291-F327 HydrophobicContact CB-CD2 4.09Å; L291-F327 HydrophobicContact CB-CG 3.6Å; L291-F327 HydrophobicContact CD1-CD1 3.91Å; L291-F327 HydrophobicContact CD1-CE1 4.42Å; L291-F327 HydrophobicContact CD1-CG 4.5Å; L291-F327 HydrophobicContact CD2-CD1 3.53Å; L291-F327 HydrophobicContact CD2-CD2 4.25Å; L291-F327 HydrophobicContact CD2-CE1 3.4Å; L291-F327 HydrophobicContact CD2-CE2 4.13Å; L291-F327 HydrophobicContact CD2-CG 3.97Å; L291-F327 HydrophobicContact CD2-CZ 3.71Å; L291-F327 HydrophobicContact CG-CD1 3.93Å; L291-F327 HydrophobicContact CG-CE1 4.3Å; L291-F327 HydrophobicContact CG-CG 4.19Å |
| 292 | A | 97 | Very high | 96.5 | Very high | 14 Ų | 14 | 23.9 Ų | 23.9 | 12% | 0.116 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -40.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H245 L288 T296 | H245-A292 PolarHBondContact NE2-O 3.37Å; L288-A292 PolarHBondContact O-N 3.39Å; A292-T296 WeakPolarHBondContact O-CB 3.39Å; A292-T296 PolarHBondContact O-N 3.3Å; A292-T296 PolarHBondContact O-OG1 3.39Å |
| 293 | S | 97.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 175.5 | 73.5 | 0 | 0 | 0 | 0 | 111.9 | P289 V290 L291 T296 M297 | P289-S293 WeakPolarHBondContact O-CB 3.37Å; P289-S293 PolarHBondContact O-N 3.25Å; V290-S293 PolarHBondContact O-N 2.98Å; V290-S293 PolarHBondContact O-OG 2.92Å; L291-S293 VanDerWaalsContact C-N 3.31Å; L291-S293 PolarHBondContact O-N 2.99Å; S293-T296 PolarHBondContact O-N 2.99Å; S293-M297 WeakPolarHBondContact O-CE 3.5Å; S293-M297 WeakPolarHBondContact O-CG 3.25Å; S293-M297 PolarHBondContact O-N 3.45Å |
| 294 | G | 97.2 | Very high | 96 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V290 L291 T296 M297 L298 | V290-G294 PolarHBondContact O-N 2.98Å; L291-G294 PolarHBondContact O-N 2.82Å; G294-T296 PolarHBondContact O-N 3.44Å; G294-M297 PolarHBondContact O-N 3.34Å; G294-L298 WeakPolarHBondContact O-CB 3.39Å; G294-L298 PolarHBondContact O-N 3.19Å |
| 295 | M | 96.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.4 | -34.1 | 177.4 | -64.5 | -175.3 | -58.3 | 0 | 0 | 112.5 | L223 L244 H245 L291 L298 L299 | L223-M295 HydrophobicContact CD1-CG 4.18Å; L223-M295 HydrophobicContact CD1-SD 4.13Å; L244-M295 HydrophobicContact CB-CE 3.93Å; L244-M295 HydrophobicContact CB-SD 3.64Å; L244-M295 HydrophobicContact CD1-SD 3.89Å; L244-M295 HydrophobicContact CG-SD 4.44Å; H245-M295 WeakPolarHBondContact CE1-CB 3.49Å; L291-M295 HydrophobicContact CD1-CE 4.48Å; L291-M295 HydrophobicContact CD1-CG 4.08Å; L291-M295 HydrophobicContact CD1-SD 4.16Å; L291-M295 HydrophobicContact CD2-CE 4.18Å; L291-M295 HydrophobicContact CD2-SD 4.46Å; L291-M295 HydrophobicContact CG-CE 3.8Å; L291-M295 HydrophobicContact CG-CG 4.37Å; L291-M295 HydrophobicContact CG-SD 4.1Å; L291-M295 WeakPolarHBondContact O-CG 3.31Å; L291-M295 PolarHBondContact O-N 3.02Å; M295-L298 PolarHBondContact O-N 3.32Å; M295-L299 PolarHBondContact O-N 3.07Å |
| 296 | T | 97.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 35.4 Ų | 35.4 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -46.5 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | H245 A292 S293 G294 L298 L299 F300 | H245-T296 PolarHBondContact NE2-OG1 3.28Å; H245-T296 VanDerWaalsContact NE2-OG1 3.13Å; A292-T296 WeakPolarHBondContact O-CB 3.39Å; A292-T296 PolarHBondContact O-N 3.3Å; A292-T296 PolarHBondContact O-OG1 3.39Å; S293-T296 PolarHBondContact O-N 2.99Å; G294-T296 PolarHBondContact O-N 3.44Å; T296-L298 PolarHBondContact O-N 3.48Å; T296-L299 WeakPolarHBondContact O-CB 3.35Å; T296-L299 PolarHBondContact O-N 3.13Å; T296-F300 HydrophobicContact CG2-CD2 4.03Å; T296-F300 HydrophobicContact CG2-CE2 3.79Å; T296-F300 WeakPolarHBondContact O-CD2 3.26Å; T296-F300 PolarHBondContact O-N 3.04Å |
| 297 | M | 97.2 | Very high | 95.7 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 9% | 0.094 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -39.9 | 174.9 | -74.2 | -178.2 | -75.4 | 0 | 0 | 111.4 | F45 S293 G294 F300 D301 F308 F309 L323 | F45-M297 HydrophobicContact CD1-SD 4.17Å; F45-M297 HydrophobicContact CE1-SD 4.1Å; S293-M297 WeakPolarHBondContact O-CE 3.5Å; S293-M297 WeakPolarHBondContact O-CG 3.25Å; S293-M297 PolarHBondContact O-N 3.45Å; G294-M297 PolarHBondContact O-N 3.34Å; M297-F300 PolarHBondContact O-N 3.47Å; M297-F300 VanDerWaalsContact O-N 3.14Å; M297-D301 PolarHBondContact O-N 3.49Å; M297-F308 HydrophobicContact CB-CB 4.1Å; M297-F308 HydrophobicContact CB-CD2 3.67Å; M297-F308 HydrophobicContact CB-CE2 4.23Å; M297-F308 HydrophobicContact CB-CG 3.85Å; M297-F308 HydrophobicContact CG-CD1 4.07Å; M297-F308 HydrophobicContact CG-CD2 3.83Å; M297-F308 HydrophobicContact CG-CE1 4.23Å; M297-F308 HydrophobicContact CG-CE2 4Å; M297-F308 HydrophobicContact CG-CG 3.87Å; M297-F308 HydrophobicContact CG-CZ 4.2Å; M297-F308 HydrophobicContact SD-CB 4.44Å; M297-F308 HydrophobicContact SD-CD1 3.78Å; M297-F308 HydrophobicContact SD-CE1 4.16Å; M297-F308 HydrophobicContact SD-CG 4.02Å; M297-F309 HydrophobicContact CB-CE2 3.65Å; M297-F309 HydrophobicContact CB-CZ 3.73Å; M297-F309 HydrophobicContact CE-CZ 4.25Å; M297-F309 HydrophobicContact SD-CZ 4.45Å; M297-L323 HydrophobicContact CE-CD1 3.32Å |
| 298 | L | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 178.3 | -167.6 | 69.8 | 0 | 0 | 0 | 112.4 | L223 P225 S228 I229 M241 G294 M295 T296 F300 D301 R302 F309 F320 | L223-L298 HydrophobicContact CB-CD2 4.24Å; P225-L298 HydrophobicContact CB-CD1 4.34Å; S228-L298 WeakPolarHBondContact OG-CD1 3.38Å; S228-L298 WeakPolarHBondContact OG-CD2 3.33Å; I229-L298 HydrophobicContact CD1-CD1 3.9Å; I229-L298 HydrophobicContact CG1-CD1 3.49Å; I229-L298 VanDerWaalsContact CG1-CD1 3.49Å; M241-L298 HydrophobicContact SD-CB 4.03Å; M241-L298 HydrophobicContact SD-CD2 3.63Å; M241-L298 HydrophobicContact SD-CG 3.99Å; G294-L298 WeakPolarHBondContact O-CB 3.39Å; G294-L298 PolarHBondContact O-N 3.19Å; M295-L298 PolarHBondContact O-N 3.32Å; T296-L298 PolarHBondContact O-N 3.48Å; L298-F300 VanDerWaalsContact C-N 3.26Å; L298-F300 PolarHBondContact O-N 2.91Å; L298-D301 PolarHBondContact O-N 2.98Å; L298-R302 VanDerWaalsContact O-CG 3.3Å; L298-R302 WeakPolarHBondContact O-CG 3.35Å; L298-R302 PolarHBondContact O-N 3.3Å; L298-R302 VanDerWaalsContact O-N 3.11Å; L298-F309 HydrophobicContact CB-CE2 4.1Å; L298-F309 HydrophobicContact CD1-CD2 3.84Å; L298-F309 HydrophobicContact CD1-CE2 4.2Å; L298-F320 HydrophobicContact CB-CE2 4.22Å; L298-F320 HydrophobicContact CD1-CD2 4.49Å; L298-F320 HydrophobicContact CD1-CE2 4.49Å; L298-F320 HydrophobicContact CD2-CE2 3.95Å; L298-F320 HydrophobicContact CD2-CZ 4.2Å; L298-F320 HydrophobicContact CG-CE2 4.47Å |
| 299 | L | 95 | Very high | 95.9 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.7 | -37 | 172.1 | -80.4 | 165.2 | 0 | 0 | 0 | 112 | M241 M295 T296 R302 K303 | M241-L299 HydrophobicContact CB-CD1 4.24Å; M241-L299 HydrophobicContact CB-CD2 4.25Å; M241-L299 HydrophobicContact CB-CG 4.22Å; M241-L299 HydrophobicContact CE-CD2 3.36Å; M241-L299 HydrophobicContact CE-CG 3.66Å; M241-L299 HydrophobicContact SD-CD2 4.08Å; M241-L299 HydrophobicContact SD-CG 3.72Å; M295-L299 PolarHBondContact O-N 3.07Å; T296-L299 WeakPolarHBondContact O-CB 3.35Å; T296-L299 PolarHBondContact O-N 3.13Å; L299-R302 PolarHBondContact O-N 2.94Å; L299-K303 WeakPolarHBondContact O-CB 3.3Å; L299-K303 PolarHBondContact O-N 3.05Å |
| 300 | F | 95.8 | Very high | 95.7 | Very high | 78 Ų | 78 | 37 Ų | 37 | 34% | 0.342 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70.4 | -40.1 | 178.7 | -83.4 | -123.7 | 0 | 0 | 0 | 112.2 | T296 M297 L298 R302 K303 F304 G305 T306 F308 | T296-F300 HydrophobicContact CG2-CD2 4.03Å; T296-F300 HydrophobicContact CG2-CE2 3.79Å; T296-F300 WeakPolarHBondContact O-CD2 3.26Å; T296-F300 PolarHBondContact O-N 3.04Å; M297-F300 PolarHBondContact O-N 3.47Å; M297-F300 VanDerWaalsContact O-N 3.14Å; L298-F300 VanDerWaalsContact C-N 3.26Å; L298-F300 PolarHBondContact O-N 2.91Å; F300-R302 PolarHBondContact O-N 2.81Å; F300-K303 PolarHBondContact O-N 2.96Å; F300-F304 HydrophobicContact CB-CD2 4.3Å; F300-F304 HydrophobicContact CD1-CB 4.35Å; F300-F304 AromaticContact CD1-CD2 3.9Å; F300-F304 HydrophobicContact CD1-CD2 3.9Å; F300-F304 HydrophobicContact CD1-CG 4.46Å; F300-F304 AromaticContact CD2-CD2 3.92Å; F300-F304 HydrophobicContact CD2-CD2 3.92Å; F300-F304 HydrophobicContact CD2-CE2 4.27Å; F300-F304 HydrophobicContact CE1-CD2 4.18Å; F300-F304 HydrophobicContact CE2-CD2 4.22Å; F300-F304 HydrophobicContact CE2-CE2 4.24Å; F300-F304 AromaticContact CG-CD2 3.78Å; F300-F304 HydrophobicContact CG-CD2 3.78Å; F300-F304 HydrophobicContact CZ-CD2 4.34Å; F300-F304 HydrophobicContact CZ-CE2 4.45Å; F300-F304 CarbonylContact O-C 3.5Å; F300-F304 WeakPolarHBondContact O-CA 3.33Å; F300-F304 PolarHBondContact O-N 2.76Å; F300-G305 PolarHBondContact O-N 2.97Å; F300-T306 HydrophobicContact CB-CG2 4.04Å; F300-T306 VanDerWaalsContact CB-OG1 3.23Å; F300-T306 WeakPolarHBondContact CB-OG1 3.3Å; F300-T306 HydrophobicContact CD1-CG2 4.2Å; F300-T306 PolarHBondContact O-N 3.48Å; F300-T306 PolarHBondContact O-OG1 3.35Å; F300-F308 HydrophobicContact CB-CE2 4.14Å |
| 301 | D | 95.7 | Very high | 95.7 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 174.4 | -76.9 | 8.7 | 0 | 0 | 0 | 110.6 | I229 M297 L298 T306 A307 F308 F309 | I229-D301 HydrophobicContact CD1-CB 3.89Å; I229-D301 HydrophobicContact CG1-CB 4.23Å; I229-D301 HydrophobicContact CG2-CB 4.24Å; M297-D301 PolarHBondContact O-N 3.49Å; L298-D301 PolarHBondContact O-N 2.98Å; D301-T306 WeakPolarHBondContact CA-O 3.36Å; D301-T306 WeakPolarHBondContact CA-OG1 3.26Å; D301-T306 PolarHBondContact N-OG1 3.16Å; D301-T306 WeakPolarHBondContact OD1-CB 3.3Å; D301-T306 VanDerWaalsContact OD1-O 3.06Å; D301-T306 PolarHBondContact OD1-OG1 3.43Å; D301-A307 WeakPolarHBondContact OD1-CA 3.32Å; D301-A307 PolarHBondContact OD1-N 3.03Å; D301-F308 VanDerWaalsContact CG-N 3.31Å; D301-F308 VanDerWaalsContact OD1-CD2 3.23Å; D301-F308 WeakPolarHBondContact OD1-CD2 3.3Å; D301-F308 PolarHBondContact OD1-N 2.69Å; D301-F308 PolarHBondContact OD2-N 3.34Å; D301-F309 PolarHBondContact OD2-N 2.84Å |
| 302 | R | 94.2 | Very high | 95.5 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.4 | -34.5 | 179.6 | -71.2 | 170.6 | 64.8 | 69.9 | 5.2 | 115.4 | S228 S233 G234 D238 L298 L299 F300 | S228-R302 WeakPolarHBondContact O-CD 3.29Å; S228-R302 PolarHBondContact O-NH1 3.39Å; S233-R302 PolarHBondContact OG-NH1 3.48Å; G234-R302 PolarHBondContact O-NH2 2.82Å; D238-R302 IonicContact OD1-CZ 2.59Å; D238-R302 VanDerWaalsContact OD1-CZ 3.27Å; D238-R302 IonicContact OD1-NE 2.76Å; D238-R302 PolarHBondContact OD1-NE 3.41Å; D238-R302 IonicContact OD1-NH2 3.77Å; D238-R302 PolarHBondContact OD1-NH2 2.74Å; D238-R302 IonicContact OD2-NH2 2.7Å; D238-R302 PolarHBondContact OD2-NH2 3.19Å; L298-R302 VanDerWaalsContact O-CG 3.3Å; L298-R302 WeakPolarHBondContact O-CG 3.35Å; L298-R302 PolarHBondContact O-N 3.3Å; L298-R302 VanDerWaalsContact O-N 3.11Å; L299-R302 PolarHBondContact O-N 2.94Å; F300-R302 PolarHBondContact O-N 2.81Å |
| 303 | K | 92.6 | Very high | 95.4 | Very high | 100 Ų | 100 | 47 Ų | 47 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -119.5 | -25.4 | -166.8 | -61.5 | -57.5 | -178.3 | -167.3 | 0 | 115 | D238 L299 F300 | D238-K303 WeakPolarHBondContact OD1-CE 3.36Å; D238-K303 IonicContact OD1-NZ 2.72Å; D238-K303 WeakPolarHBondContact OD2-CE 3.19Å; D238-K303 IonicContact OD2-NZ 3.63Å; D238-K303 PolarHBondContact OD2-NZ 3.23Å; L299-K303 WeakPolarHBondContact O-CB 3.3Å; L299-K303 PolarHBondContact O-N 3.05Å; F300-K303 PolarHBondContact O-N 2.96Å |
| 304 | F | 94 | Very high | 95.3 | Very high | 150 Ų | 150 | 50.1 Ų | 50.1 | 66% | 0.658 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 4.4 | -174.6 | -60.5 | -64.2 | 0 | 0 | 0 | 112.7 | F300 T306 | F300-F304 HydrophobicContact CB-CD2 4.3Å; F300-F304 HydrophobicContact CD1-CB 4.35Å; F300-F304 AromaticContact CD1-CD2 3.9Å; F300-F304 HydrophobicContact CD1-CD2 3.9Å; F300-F304 HydrophobicContact CD1-CG 4.46Å; F300-F304 AromaticContact CD2-CD2 3.92Å; F300-F304 HydrophobicContact CD2-CD2 3.92Å; F300-F304 HydrophobicContact CD2-CE2 4.27Å; F300-F304 HydrophobicContact CE1-CD2 4.18Å; F300-F304 HydrophobicContact CE2-CD2 4.22Å; F300-F304 HydrophobicContact CE2-CE2 4.24Å; F300-F304 AromaticContact CG-CD2 3.78Å; F300-F304 HydrophobicContact CG-CD2 3.78Å; F300-F304 HydrophobicContact CZ-CD2 4.34Å; F300-F304 HydrophobicContact CZ-CE2 4.45Å; F300-F304 CarbonylContact O-C 3.5Å; F300-F304 WeakPolarHBondContact O-CA 3.33Å; F300-F304 PolarHBondContact O-N 2.76Å; F304-T306 VanDerWaalsContact C-N 3.25Å; F304-T306 PolarHBondContact O-N 3.04Å |
| 305 | G | 90.6 | Very high | 95.3 | Very high | 70 Ų | 70 | 50.8 Ų | 50.8 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | trans | 66.6 | 25.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F300 | F300-G305 PolarHBondContact O-N 2.97Š| ||
| 306 | T | 95.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | trans | -73.3 | 168.7 | 166.9 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | F300 D301 F304 F308 | F300-T306 HydrophobicContact CB-CG2 4.04Å; F300-T306 VanDerWaalsContact CB-OG1 3.23Å; F300-T306 WeakPolarHBondContact CB-OG1 3.3Å; F300-T306 HydrophobicContact CD1-CG2 4.2Å; F300-T306 PolarHBondContact O-N 3.48Å; F300-T306 PolarHBondContact O-OG1 3.35Å; D301-T306 WeakPolarHBondContact CA-O 3.36Å; D301-T306 WeakPolarHBondContact CA-OG1 3.26Å; D301-T306 PolarHBondContact N-OG1 3.16Å; D301-T306 WeakPolarHBondContact OD1-CB 3.3Å; D301-T306 VanDerWaalsContact OD1-O 3.06Å; D301-T306 PolarHBondContact OD1-OG1 3.43Å; F304-T306 VanDerWaalsContact C-N 3.25Å; F304-T306 PolarHBondContact O-N 3.04Å; T306-F308 HydrophobicContact CG2-CE2 4.03Å; T306-F308 WeakPolarHBondContact OG1-CD2 3.14Å; T306-F308 WeakPolarHBondContact OG1-CE2 3.45Å | ||
| 307 | A | 95.7 | Very high | 95.2 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | trans | -136.5 | 57.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D301 E310 G315 | D301-A307 WeakPolarHBondContact OD1-CA 3.32Å; D301-A307 PolarHBondContact OD1-N 3.03Å; A307-E310 HydrophobicContact CB-CB 4.07Å; A307-G315 WeakPolarHBondContact O-CA 3.45Å; A307-G315 PolarHBondContact O-N 3.31Å | ||
| 308 | F | 97.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 26% | 0.263 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -67.6 | -38.8 | 174.8 | -67.9 | -72.5 | 0 | 0 | 0 | 111.7 | F45 M297 F300 D301 T306 G315 D316 | F45-F308 HydrophobicContact CE1-CD1 4.22Å; F45-F308 AromaticContact CE1-CE1 3.68Å; F45-F308 HydrophobicContact CE1-CE1 3.68Å; F45-F308 AromaticContact CZ-CE1 3.96Å; F45-F308 HydrophobicContact CZ-CE1 3.96Å; M297-F308 HydrophobicContact CB-CB 4.1Å; M297-F308 HydrophobicContact CB-CD2 3.67Å; M297-F308 HydrophobicContact CB-CE2 4.23Å; M297-F308 HydrophobicContact CB-CG 3.85Å; M297-F308 HydrophobicContact CG-CD1 4.07Å; M297-F308 HydrophobicContact CG-CD2 3.83Å; M297-F308 HydrophobicContact CG-CE1 4.23Å; M297-F308 HydrophobicContact CG-CE2 4Å; M297-F308 HydrophobicContact CG-CG 3.87Å; M297-F308 HydrophobicContact CG-CZ 4.2Å; M297-F308 HydrophobicContact SD-CB 4.44Å; M297-F308 HydrophobicContact SD-CD1 3.78Å; M297-F308 HydrophobicContact SD-CE1 4.16Å; M297-F308 HydrophobicContact SD-CG 4.02Å; F300-F308 HydrophobicContact CB-CE2 4.14Å; D301-F308 VanDerWaalsContact CG-N 3.31Å; D301-F308 VanDerWaalsContact OD1-CD2 3.23Å; D301-F308 WeakPolarHBondContact OD1-CD2 3.3Å; D301-F308 PolarHBondContact OD1-N 2.69Å; D301-F308 PolarHBondContact OD2-N 3.34Å; T306-F308 HydrophobicContact CG2-CE2 4.03Å; T306-F308 WeakPolarHBondContact OG1-CD2 3.14Å; T306-F308 WeakPolarHBondContact OG1-CE2 3.45Å; F308-G315 WeakPolarHBondContact O-CA 3.46Å; F308-D316 PolarHBondContact O-N 3.2Å |
| 309 | F | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -120.8 | 0.3 | -175.3 | -48 | -60.2 | 0 | 0 | 0 | 113.8 | P225 I229 M297 L298 D301 P311 D316 P317 L319 F320 L323 | P225-F309 HydrophobicContact CB-CB 3.95Å; P225-F309 HydrophobicContact CG-CB 3.74Å; P225-F309 HydrophobicContact CG-CD2 4.5Å; P225-F309 HydrophobicContact CG-CG 4.09Å; I229-F309 HydrophobicContact CD1-CB 3.79Å; I229-F309 HydrophobicContact CD1-CD2 4.31Å; M297-F309 HydrophobicContact CB-CE2 3.65Å; M297-F309 HydrophobicContact CB-CZ 3.73Å; M297-F309 HydrophobicContact CE-CZ 4.25Å; M297-F309 HydrophobicContact SD-CZ 4.45Å; L298-F309 HydrophobicContact CB-CE2 4.1Å; L298-F309 HydrophobicContact CD1-CD2 3.84Å; L298-F309 HydrophobicContact CD1-CE2 4.2Å; D301-F309 PolarHBondContact OD2-N 2.84Å; F309-P311 WeakPolarHBondContact O-CD 3.43Å; F309-D316 WeakPolarHBondContact CD1-O 3.03Å; F309-P317 WeakPolarHBondContact O-CD 3.49Å; F309-L319 HydrophobicContact CD1-CB 4.34Å; F309-L319 HydrophobicContact CE1-CB 4.3Å; F309-L319 HydrophobicContact CE1-CD2 4.23Å; F309-L319 HydrophobicContact CE1-CG 4.14Å; F309-F320 HydrophobicContact CD1-CB 3.62Å; F309-F320 HydrophobicContact CD2-CB 4.44Å; F309-F320 HydrophobicContact CD2-CD2 4.18Å; F309-F320 HydrophobicContact CE1-CB 3.59Å; F309-F320 HydrophobicContact CE1-CD2 4.09Å; F309-F320 HydrophobicContact CE1-CG 4.35Å; F309-F320 HydrophobicContact CE2-CB 4.41Å; F309-F320 AromaticContact CE2-CD2 3.63Å; F309-F320 HydrophobicContact CE2-CD2 3.63Å; F309-F320 HydrophobicContact CE2-CE2 4.47Å; F309-F320 HydrophobicContact CE2-CG 4.46Å; F309-F320 HydrophobicContact CG-CB 4.06Å; F309-F320 HydrophobicContact CZ-CB 4.01Å; F309-F320 AromaticContact CZ-CD2 3.58Å; F309-F320 HydrophobicContact CZ-CD2 3.58Å; F309-F320 HydrophobicContact CZ-CG 4.28Å; F309-L323 HydrophobicContact CE1-CD1 4.21Å; F309-L323 HydrophobicContact CZ-CD1 4.23Å |
| 310 | E | 94.5 | Very high | 95.5 | Very high | 63 Ų | 63 | 56.7 Ų | 56.7 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | trans | -92.4 | 110.9 | 179.9 | 176.2 | 53.4 | -115.3 | 0 | 0 | 110.4 | A307 S312 G313 G314 G315 | A307-E310 HydrophobicContact CB-CB 4.07Å; E310-S312 VanDerWaalsContact CD-OG 3.26Å; E310-S312 WeakPolarHBondContact CG-OG 3.43Å; E310-S312 PolarHBondContact O-N 3.39Å; E310-S312 PolarHBondContact OE1-N 3.14Å; E310-S312 PolarHBondContact OE1-OG 3.07Å; E310-G313 PolarHBondContact O-N 3.32Å; E310-G313 VanDerWaalsContact O-N 3.1Å; E310-G314 PolarHBondContact O-N 3.23Å; E310-G315 WeakPolarHBondContact O-CA 3.37Å; E310-G315 PolarHBondContact O-N 3.41Å | ||
| 311 | P | 95.8 | Very high | 95.6 | Very high | 78 Ų | 78 | 54.9 Ų | 54.9 | 51% | 0.506 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -58.8 | -32.6 | -177.3 | -26.7 | 36.3 | 0 | 0 | 0 | 114.2 | F309 G313 G314 G315 P317 | F309-P311 WeakPolarHBondContact O-CD 3.43Å; P311-G313 PolarHBondContact O-N 3.14Å; P311-G314 PolarHBondContact O-N 2.96Å; P311-G315 WeakPolarHBondContact CA-O 3.45Å; P311-P317 HydrophobicContact CG-CG 4.38Å |
| 312 | S | 93.5 | Very high | 95.7 | Very high | 107 Ų | 107 | 56.7 Ų | 56.7 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -64.4 | -25.5 | 179.3 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | E310 | E310-S312 VanDerWaalsContact CD-OG 3.26Å; E310-S312 WeakPolarHBondContact CG-OG 3.43Å; E310-S312 PolarHBondContact O-N 3.39Å; E310-S312 PolarHBondContact OE1-N 3.14Å; E310-S312 PolarHBondContact OE1-OG 3.07Å |
| 313 | G | 94.5 | Very high | 95.9 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 55% | 0.546 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -98.3 | 7.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E310 P311 | E310-G313 PolarHBondContact O-N 3.32Å; E310-G313 VanDerWaalsContact O-N 3.1Å; P311-G313 PolarHBondContact O-N 3.14Å |
| 314 | G | 94.6 | Very high | 96.2 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 73% | 0.732 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 9.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E310 P311 | E310-G314 PolarHBondContact O-N 3.23Å; P311-G314 PolarHBondContact O-N 2.96Å |
| 315 | G | 96.7 | Very high | 96.4 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | trans | -76.5 | 173.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | A307 F308 E310 P311 | A307-G315 WeakPolarHBondContact O-CA 3.45Å; A307-G315 PolarHBondContact O-N 3.31Å; F308-G315 WeakPolarHBondContact O-CA 3.46Å; E310-G315 WeakPolarHBondContact O-CA 3.37Å; E310-G315 PolarHBondContact O-N 3.41Å; P311-G315 WeakPolarHBondContact CA-O 3.45Å | ||
| 316 | D | 96.6 | Very high | 96.7 | Very high | 72 Ų | 72 | 42 Ų | 42 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | trans | -137 | 115.4 | 178.9 | 179.7 | 4.7 | 0 | 0 | 0 | 111.1 | F308 F309 I318 L319 | F308-D316 PolarHBondContact O-N 3.2Å; F309-D316 WeakPolarHBondContact CD1-O 3.03Å; D316-I318 PolarHBondContact O-N 3.31Å; D316-I318 VanDerWaalsContact OD1-CB 3.32Å; D316-I318 WeakPolarHBondContact OD1-CB 3.34Å; D316-I318 PolarHBondContact OD1-N 3.07Å; D316-L319 HydrophobicContact CB-CB 4.26Å; D316-L319 VanDerWaalsContact O-CB 3.23Å; D316-L319 WeakPolarHBondContact O-CB 3.35Å; D316-L319 PolarHBondContact O-N 2.97Å; D316-L319 VanDerWaalsContact O-N 3.12Å | ||
| 317 | P | 96.5 | Very high | 96.8 | Very high | 33 Ų | 33 | 40 Ų | 40 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -24.3 | 177.7 | 26.7 | -34.3 | 0 | 0 | 0 | 113.3 | P225 F309 P311 L319 F320 | P225-P317 HydrophobicContact CB-CB 4.3Å; P225-P317 HydrophobicContact CG-CB 3.92Å; F309-P317 WeakPolarHBondContact O-CD 3.49Å; P311-P317 HydrophobicContact CG-CG 4.38Å; P317-L319 VanDerWaalsContact C-N 3.28Å; P317-L319 PolarHBondContact O-N 3.47Å; P317-F320 WeakPolarHBondContact O-CB 3.46Å; P317-F320 PolarHBondContact O-N 3.43Å |
| 318 | I | 97.4 | Very high | 96.8 | Very high | 55 Ų | 55 | 38.7 Ų | 38.7 | 28% | 0.282 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.2 | -29.6 | 176.5 | -60.4 | 169.7 | 0 | 0 | 0 | 110.6 | D316 F320 Q321 H322 M381 V384 | D316-I318 PolarHBondContact O-N 3.31Å; D316-I318 VanDerWaalsContact OD1-CB 3.32Å; D316-I318 WeakPolarHBondContact OD1-CB 3.34Å; D316-I318 PolarHBondContact OD1-N 3.07Å; I318-F320 PolarHBondContact O-N 3.13Å; I318-Q321 WeakPolarHBondContact O-CB 3.44Å; I318-Q321 PolarHBondContact O-N 2.88Å; I318-Q321 VanDerWaalsContact O-N 3.08Å; I318-H322 PolarHBondContact O-CD2 3.48Å; I318-H322 PolarHBondContact O-N 3.31Å; I318-H322 VanDerWaalsContact O-N 3.09Å; I318-M381 HydrophobicContact CG2-CE 3.77Å; I318-V384 HydrophobicContact CD1-CB 4.34Å; I318-V384 HydrophobicContact CG2-CB 4.21Å; I318-V384 HydrophobicContact CG2-CG1 4.39Å; I318-V384 HydrophobicContact CG2-CG2 4.19Å |
| 319 | L | 97.5 | Very high | 96.8 | Very high | 58 Ų | 58 | 36.5 Ų | 36.5 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.5 | -40.1 | 172.7 | 178.3 | 62.7 | 0 | 0 | 0 | 111.4 | F42 F309 D316 P317 Q321 H322 L323 | F42-L319 HydrophobicContact CD2-CD1 4.29Å; F42-L319 HydrophobicContact CE2-CD1 4.35Å; F309-L319 HydrophobicContact CD1-CB 4.34Å; F309-L319 HydrophobicContact CE1-CB 4.3Å; F309-L319 HydrophobicContact CE1-CD2 4.23Å; F309-L319 HydrophobicContact CE1-CG 4.14Å; D316-L319 HydrophobicContact CB-CB 4.26Å; D316-L319 VanDerWaalsContact O-CB 3.23Å; D316-L319 WeakPolarHBondContact O-CB 3.35Å; D316-L319 PolarHBondContact O-N 2.97Å; D316-L319 VanDerWaalsContact O-N 3.12Å; P317-L319 VanDerWaalsContact C-N 3.28Å; P317-L319 PolarHBondContact O-N 3.47Å; L319-Q321 VanDerWaalsContact C-N 3.32Å; L319-Q321 PolarHBondContact O-N 2.95Å; L319-H322 WeakPolarHBondContact O-CB 3.23Å; L319-H322 PolarHBondContact O-N 3.38Å; L319-L323 HydrophobicContact CG-CD1 4.26Å; L319-L323 WeakPolarHBondContact O-CG 3.44Å; L319-L323 PolarHBondContact O-N 3.36Å; L319-L323 VanDerWaalsContact O-N 3.1Å |
| 320 | F | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.7 | -175.4 | -89 | 0 | 0 | 0 | 111.4 | T222 L223 Y224 P225 L298 F309 P317 I318 H322 L323 F324 | T222-F320 VanDerWaalsContact O-CE1 3.24Å; T222-F320 WeakPolarHBondContact O-CE1 3.41Å; L223-F320 HydrophobicContact CB-CE1 4.31Å; L223-F320 HydrophobicContact CB-CZ 3.98Å; L223-F320 WeakPolarHBondContact O-CE1 3.39Å; Y224-F320 AromaticContact CD1-CD1 3.94Å; Y224-F320 HydrophobicContact CD1-CD1 3.94Å; Y224-F320 HydrophobicContact CD1-CE1 4.03Å; P225-F320 VanDerWaalsContact CD-CD1 3.45Å; P225-F320 HydrophobicContact CG-CB 3.65Å; P225-F320 HydrophobicContact CG-CD1 4.35Å; P225-F320 HydrophobicContact CG-CG 3.98Å; L298-F320 HydrophobicContact CB-CE2 4.22Å; L298-F320 HydrophobicContact CD1-CD2 4.49Å; L298-F320 HydrophobicContact CD1-CE2 4.49Å; L298-F320 HydrophobicContact CD2-CE2 3.95Å; L298-F320 HydrophobicContact CD2-CZ 4.2Å; L298-F320 HydrophobicContact CG-CE2 4.47Å; F309-F320 HydrophobicContact CD1-CB 3.62Å; F309-F320 HydrophobicContact CD2-CB 4.44Å; F309-F320 HydrophobicContact CD2-CD2 4.18Å; F309-F320 HydrophobicContact CE1-CB 3.59Å; F309-F320 HydrophobicContact CE1-CD2 4.09Å; F309-F320 HydrophobicContact CE1-CG 4.35Å; F309-F320 HydrophobicContact CE2-CB 4.41Å; F309-F320 AromaticContact CE2-CD2 3.63Å; F309-F320 HydrophobicContact CE2-CD2 3.63Å; F309-F320 HydrophobicContact CE2-CE2 4.47Å; F309-F320 HydrophobicContact CE2-CG 4.46Å; F309-F320 HydrophobicContact CG-CB 4.06Å; F309-F320 HydrophobicContact CZ-CB 4.01Å; F309-F320 AromaticContact CZ-CD2 3.58Å; F309-F320 HydrophobicContact CZ-CD2 3.58Å; F309-F320 HydrophobicContact CZ-CG 4.28Å; P317-F320 WeakPolarHBondContact O-CB 3.46Å; P317-F320 PolarHBondContact O-N 3.43Å; I318-F320 PolarHBondContact O-N 3.13Å; F320-H322 VanDerWaalsContact C-N 3.32Å; F320-H322 PolarHBondContact O-N 3.24Å; F320-L323 PolarHBondContact O-N 3.24Å; F320-F324 HydrophobicContact CD1-CB 4.33Å; F320-F324 HydrophobicContact CE1-CB 3.97Å; F320-F324 HydrophobicContact CE1-CD2 4.31Å; F320-F324 HydrophobicContact CE1-CG 4.37Å; F320-F324 HydrophobicContact CZ-CD2 4.49Å; F320-F324 VanDerWaalsContact O-CB 3.32Å; F320-F324 WeakPolarHBondContact O-CB 3.23Å; F320-F324 PolarHBondContact O-N 3.27Å |
| 321 | Q | 97.9 | Very high | 96.8 | Very high | 39 Ų | 39 | 33.9 Ų | 33.9 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 177.2 | -62.6 | -166.1 | 24.2 | 0 | 0 | 111.9 | Y224 I318 L319 F324 W325 M381 V384 | Y224-Q321 HydrophobicContact CD1-CG 4.11Å; Y224-Q321 HydrophobicContact CE1-CG 3.86Å; I318-Q321 WeakPolarHBondContact O-CB 3.44Å; I318-Q321 PolarHBondContact O-N 2.88Å; I318-Q321 VanDerWaalsContact O-N 3.08Å; L319-Q321 VanDerWaalsContact C-N 3.32Å; L319-Q321 PolarHBondContact O-N 2.95Å; Q321-F324 PolarHBondContact O-N 3.17Å; Q321-W325 WeakPolarHBondContact O-CB 3.23Å; Q321-W325 VanDerWaalsContact O-CD1 3.23Å; Q321-W325 PolarHBondContact O-N 3.29Å; Q321-M381 HydrophobicContact CB-CE 3.57Å; Q321-M381 HydrophobicContact CB-CG 4.24Å; Q321-M381 HydrophobicContact CB-SD 3.97Å; Q321-V384 VanDerWaalsContact OE1-CG1 3.3Å |
| 322 | H | 98.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 174.3 | -82.9 | -63.2 | 0 | 0 | 0 | 112.3 | I318 L319 F320 F326 W377 M381 F386 | I318-H322 PolarHBondContact O-CD2 3.48Å; I318-H322 PolarHBondContact O-N 3.31Å; I318-H322 VanDerWaalsContact O-N 3.09Å; L319-H322 WeakPolarHBondContact O-CB 3.23Å; L319-H322 PolarHBondContact O-N 3.38Å; F320-H322 VanDerWaalsContact C-N 3.32Å; F320-H322 PolarHBondContact O-N 3.24Å; H322-F326 VanDerWaalsContact O-CB 3.28Å; H322-F326 WeakPolarHBondContact O-CB 3.45Å; H322-F326 PolarHBondContact O-N 3.17Å; H322-W377 AromaticContact CE1-NE1 3.99Å; H322-W377 AromaticContact ND1-CD1 3.85Å; H322-W377 AromaticContact ND1-NE1 3.25Å; H322-W377 PolarHBondContact ND1-NE1 3.46Å; H322-M381 HydrophobicContact CB-CE 4.41Å; H322-M381 VanDerWaalsContact CD2-CE 3.48Å; H322-M381 WeakPolarHBondContact CD2-CE 3.44Å; H322-M381 WeakPolarHBondContact NE2-CE 2.96Å; H322-F386 AromaticContact CE1-CE1 4Å; H322-F386 AromaticContact CE1-CZ 3.96Å |
| 323 | L | 97.8 | Very high | 97 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.3 | -44.8 | 179.5 | -65.5 | 169 | 0 | 0 | 0 | 111.7 | F42 V290 M297 F309 L319 F320 F327 | F42-L323 HydrophobicContact CE2-CD2 3.61Å; F42-L323 HydrophobicContact CE2-CG 4.42Å; F42-L323 HydrophobicContact CZ-CD2 4.12Å; V290-L323 HydrophobicContact CG1-CB 4.22Å; V290-L323 HydrophobicContact CG1-CD2 3.74Å; M297-L323 HydrophobicContact CE-CD1 3.32Å; F309-L323 HydrophobicContact CE1-CD1 4.21Å; F309-L323 HydrophobicContact CZ-CD1 4.23Å; L319-L323 HydrophobicContact CG-CD1 4.26Å; L319-L323 WeakPolarHBondContact O-CG 3.44Å; L319-L323 PolarHBondContact O-N 3.36Å; L319-L323 VanDerWaalsContact O-N 3.1Å; F320-L323 PolarHBondContact O-N 3.24Å; L323-F327 PolarHBondContact O-N 2.88Å |
| 324 | F | 98.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.7 | -49.2 | 179.6 | -178.8 | -91.3 | 0 | 0 | 0 | 111.3 | W221 T222 Y224 L291 F320 Q321 F327 G328 | W221-F324 HydrophobicContact CE3-CE1 4.47Å; W221-F324 AromaticContact CE3-CZ 3.71Å; W221-F324 HydrophobicContact CE3-CZ 3.71Å; W221-F324 HydrophobicContact CH2-CE1 4.2Å; W221-F324 HydrophobicContact CH2-CZ 4.18Å; W221-F324 AromaticContact CZ3-CE1 3.92Å; W221-F324 HydrophobicContact CZ3-CE1 3.92Å; W221-F324 AromaticContact CZ3-CZ 3.45Å; W221-F324 HydrophobicContact CZ3-CZ 3.45Å; W221-F324 VanDerWaalsContact CZ3-CZ 3.45Å; T222-F324 HydrophobicContact CG2-CD1 4.43Å; T222-F324 HydrophobicContact CG2-CE1 3.63Å; T222-F324 HydrophobicContact CG2-CZ 3.85Å; Y224-F324 HydrophobicContact CE1-CD1 4.38Å; L291-F324 HydrophobicContact CD1-CD2 3.77Å; L291-F324 HydrophobicContact CD1-CE2 4.11Å; F320-F324 HydrophobicContact CD1-CB 4.33Å; F320-F324 HydrophobicContact CE1-CB 3.97Å; F320-F324 HydrophobicContact CE1-CD2 4.31Å; F320-F324 HydrophobicContact CE1-CG 4.37Å; F320-F324 HydrophobicContact CZ-CD2 4.49Å; F320-F324 VanDerWaalsContact O-CB 3.32Å; F320-F324 WeakPolarHBondContact O-CB 3.23Å; F320-F324 PolarHBondContact O-N 3.27Å; Q321-F324 PolarHBondContact O-N 3.17Å; F324-F327 CarbonylContact O-C 3.53Å; F324-F327 WeakPolarHBondContact O-CA 3.43Å; F324-F327 WeakPolarHBondContact O-CB 3.49Å; F324-F327 PolarHBondContact O-N 3.27Å; F324-F327 VanDerWaalsContact O-N 3.14Å; F324-G328 PolarHBondContact O-N 3.13Å |
| 325 | W | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -78.1 | -24.7 | -175.7 | -70.5 | 126.7 | 0 | 0 | 0 | 114.2 | W221 T222 Y224 Q321 F327 G328 H329 W377 H380 | W221-W325 AromaticContact CH2-CH2 3.82Å; W221-W325 HydrophobicContact CH2-CH2 3.82Å; W221-W325 AromaticContact CH2-CZ3 3.83Å; W221-W325 HydrophobicContact CH2-CZ3 3.83Å; W221-W325 AromaticContact CZ2-CH2 3.94Å; W221-W325 HydrophobicContact CZ2-CH2 3.94Å; W221-W325 HydrophobicContact CZ2-CZ3 4.38Å; T222-W325 HydrophobicContact CG2-CH2 4.07Å; T222-W325 HydrophobicContact CG2-CZ2 4Å; Y224-W325 AromaticContact CZ-NE1 3.84Å; Y224-W325 WeakPolarHBondContact OH-CZ2 3.28Å; Y224-W325 PolarHBondContact OH-NE1 3.11Å; Q321-W325 WeakPolarHBondContact O-CB 3.23Å; Q321-W325 VanDerWaalsContact O-CD1 3.23Å; Q321-W325 PolarHBondContact O-N 3.29Å; W325-F327 PolarHBondContact O-N 3.22Å; W325-G328 PolarHBondContact O-N 3.47Å; W325-H329 PolarHBondContact O-N 3.2Å; W325-H329 VanDerWaalsContact O-N 3.08Å; W325-W377 VanDerWaalsContact C-CB 3.41Å; W325-W377 HydrophobicContact CB-CB 3.96Å; W325-W377 VanDerWaalsContact O-CB 3.25Å; W325-W377 WeakPolarHBondContact O-CB 2.97Å; W325-H380 HydrophobicContact CB-CB 4.25Å; W325-H380 HydrophobicContact CD2-CB 3.36Å; W325-H380 AromaticContact CD2-CD2 3.65Å; W325-H380 AromaticContact CD2-CG 3.52Å; W325-H380 AromaticContact CE2-CG 3.85Å; W325-H380 HydrophobicContact CE3-CB 3.93Å; W325-H380 AromaticContact CE3-CD2 3.36Å; W325-H380 AromaticContact CE3-CG 3.52Å; W325-H380 AromaticContact CE3-ND1 3.95Å; W325-H380 AromaticContact CE3-NE2 3.68Å; W325-H380 HydrophobicContact CG-CB 3.51Å; W325-H380 HydrophobicContact CH2-CB 4.49Å; W325-H380 AromaticContact CH2-ND1 3.97Å; W325-H380 HydrophobicContact CZ2-CB 3.98Å; W325-H380 HydrophobicContact CZ3-CB 4.46Å; W325-H380 AromaticContact CZ3-CD2 3.96Å; W325-H380 AromaticContact CZ3-CE1 3.83Å; W325-H380 AromaticContact CZ3-CG 3.88Å; W325-H380 AromaticContact CZ3-ND1 3.81Å; W325-H380 AromaticContact CZ3-NE2 3.9Å |
| 326 | F | 97.9 | Very high | 97.1 | Very high | 30 Ų | 30 | 21.2 Ų | 21.2 | 13% | 0.132 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.8 | -35 | 165.9 | -176.9 | -85.1 | 0 | 0 | 0 | 110.8 | V290 H322 P330 W377 | V290-F326 HydrophobicContact CB-CD1 3.85Å; V290-F326 HydrophobicContact CB-CE1 4.41Å; V290-F326 HydrophobicContact CG1-CB 4.26Å; V290-F326 HydrophobicContact CG1-CD1 3.9Å; V290-F326 HydrophobicContact CG1-CG 4.33Å; V290-F326 HydrophobicContact CG2-CD1 3.62Å; V290-F326 HydrophobicContact CG2-CE1 3.69Å; H322-F326 VanDerWaalsContact O-CB 3.28Å; H322-F326 WeakPolarHBondContact O-CB 3.45Å; H322-F326 PolarHBondContact O-N 3.17Å; F326-P330 WeakPolarHBondContact O-CD 3.42Å; F326-P330 WeakPolarHBondContact O-CG 3.34Å; F326-W377 HydrophobicContact CD2-CD2 4.21Å; F326-W377 AromaticContact CD2-CE3 3.71Å; F326-W377 HydrophobicContact CD2-CE3 3.71Å; F326-W377 AromaticContact CD2-CZ3 3.86Å; F326-W377 HydrophobicContact CD2-CZ3 3.86Å; F326-W377 HydrophobicContact CE2-CE3 4.3Å; F326-W377 HydrophobicContact CE2-CZ3 4.1Å |
| 327 | F | 97.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -80.8 | -50.2 | 169.5 | 155.2 | -98.3 | 0 | 0 | 0 | 113 | F164 L288 L291 L323 F324 W325 H329 P330 E331 | F164-F327 HydrophobicContact CE1-CE1 4.48Å; F164-F327 AromaticContact CE1-CZ 3.78Å; F164-F327 HydrophobicContact CE1-CZ 3.78Å; F164-F327 AromaticContact CZ-CE1 3.94Å; F164-F327 HydrophobicContact CZ-CE1 3.94Å; F164-F327 AromaticContact CZ-CZ 3.69Å; F164-F327 HydrophobicContact CZ-CZ 3.69Å; L288-F327 HydrophobicContact CD2-CD2 3.94Å; L288-F327 HydrophobicContact CD2-CE2 3.43Å; L288-F327 VanDerWaalsContact CD2-CE2 3.43Å; L288-F327 HydrophobicContact CD2-CZ 4.26Å; L288-F327 HydrophobicContact CG-CE2 4.32Å; L291-F327 HydrophobicContact CB-CB 3.78Å; L291-F327 HydrophobicContact CB-CD1 3.86Å; L291-F327 HydrophobicContact CB-CD2 4.09Å; L291-F327 HydrophobicContact CB-CG 3.6Å; L291-F327 HydrophobicContact CD1-CD1 3.91Å; L291-F327 HydrophobicContact CD1-CE1 4.42Å; L291-F327 HydrophobicContact CD1-CG 4.5Å; L291-F327 HydrophobicContact CD2-CD1 3.53Å; L291-F327 HydrophobicContact CD2-CD2 4.25Å; L291-F327 HydrophobicContact CD2-CE1 3.4Å; L291-F327 HydrophobicContact CD2-CE2 4.13Å; L291-F327 HydrophobicContact CD2-CG 3.97Å; L291-F327 HydrophobicContact CD2-CZ 3.71Å; L291-F327 HydrophobicContact CG-CD1 3.93Å; L291-F327 HydrophobicContact CG-CE1 4.3Å; L291-F327 HydrophobicContact CG-CG 4.19Å; L323-F327 PolarHBondContact O-N 2.88Å; F324-F327 CarbonylContact O-C 3.53Å; F324-F327 WeakPolarHBondContact O-CA 3.43Å; F324-F327 WeakPolarHBondContact O-CB 3.49Å; F324-F327 PolarHBondContact O-N 3.27Å; F324-F327 VanDerWaalsContact O-N 3.14Å; W325-F327 PolarHBondContact O-N 3.22Å; F327-H329 VanDerWaalsContact C-N 3.29Å; F327-H329 PolarHBondContact O-N 3.48Å; F327-P330 WeakPolarHBondContact O-CB 3.42Å; F327-P330 VanDerWaalsContact O-CD 3.24Å; F327-P330 WeakPolarHBondContact O-CD 3.37Å; F327-E331 HydrophobicContact CE1-CB 4.26Å; F327-E331 HydrophobicContact CE1-CG 4.41Å; F327-E331 HydrophobicContact CE2-CB 3.86Å; F327-E331 HydrophobicContact CE2-CG 4.06Å; F327-E331 VanDerWaalsContact CE2-OE2 3.24Å; F327-E331 WeakPolarHBondContact CE2-OE2 3.41Å; F327-E331 HydrophobicContact CZ-CB 3.7Å; F327-E331 HydrophobicContact CZ-CG 3.64Å; F327-E331 PolarHBondContact O-N 3.48Å |
| 328 | G | 96.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.7 | -30.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F324 W325 | F324-G328 PolarHBondContact O-N 3.13Å; W325-G328 PolarHBondContact O-N 3.47Å |
| 329 | H | 96.5 | Very high | 97.1 | Very high | 14 Ų | 14 | 13.6 Ų | 13.6 | 7% | 0.065 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -75.2 | -48.2 | 174.8 | -167.7 | 80.8 | 0 | 0 | 0 | 113 | W325 F327 E331 V332 Y333 V376 H379 H380 | W325-H329 PolarHBondContact O-N 3.2Å; W325-H329 VanDerWaalsContact O-N 3.08Å; F327-H329 VanDerWaalsContact C-N 3.29Å; F327-H329 PolarHBondContact O-N 3.48Å; H329-E331 PolarHBondContact O-N 2.94Å; H329-V332 WeakPolarHBondContact O-CG2 3.49Å; H329-V332 PolarHBondContact O-N 3.21Å; H329-Y333 AromaticContact CD2-CE2 3.42Å; H329-Y333 VanDerWaalsContact CD2-CE2 3.42Å; H329-Y333 WeakPolarHBondContact CD2-CE2 3.44Å; H329-Y333 AromaticContact NE2-CE2 3.11Å; H329-Y333 WeakPolarHBondContact NE2-CE2 3.07Å; H329-Y333 AromaticContact NE2-CZ 3.39Å; H329-Y333 PolarHBondContact NE2-OH 3.11Å; H329-V376 WeakPolarHBondContact CD2-CG2 3.19Å; H329-V376 WeakPolarHBondContact NE2-CG2 3.49Å; H329-H379 AromaticContact CE1-CE1 3.17Å; H329-H379 PolarHBondContact CE1-CE1 3.39Å; H329-H379 AromaticContact CE1-NE2 3.44Å; H329-H379 PolarHBondContact CE1-NE2 3.4Å; H329-H379 AromaticContact CG-CE1 3.72Å; H329-H379 AromaticContact CG-NE2 3.82Å; H329-H379 AromaticContact ND1-CE1 3.06Å; H329-H379 PolarHBondContact ND1-CE1 3.25Å; H329-H379 AromaticContact ND1-NE2 2.96Å; H329-H379 PolarHBondContact ND1-NE2 3.38Å; H329-H379 AromaticContact NE2-CE1 3.81Å; H329-H380 AromaticContact CG-NE2 3.89Å; H329-H380 AromaticContact ND1-NE2 3.38Å; H329-H380 PolarHBondContact ND1-NE2 3.29Å |
| 330 | P | 97.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -49.3 | -38.2 | 166.1 | -37.4 | 41.7 | 0 | 0 | 0 | 115.3 | L283 F326 F327 V332 Y333 V334 G373 | L283-P330 HydrophobicContact CD2-CB 4.14Å; F326-P330 WeakPolarHBondContact O-CD 3.42Å; F326-P330 WeakPolarHBondContact O-CG 3.34Å; F327-P330 WeakPolarHBondContact O-CB 3.42Å; F327-P330 VanDerWaalsContact O-CD 3.24Å; F327-P330 WeakPolarHBondContact O-CD 3.37Å; P330-V332 VanDerWaalsContact C-N 3.31Å; P330-V332 PolarHBondContact O-N 3.49Å; P330-Y333 WeakPolarHBondContact O-CA 3.33Å; P330-Y333 WeakPolarHBondContact O-CB 3.43Å; P330-Y333 PolarHBondContact O-N 3.31Å; P330-V334 PolarHBondContact O-N 3.05Å; P330-G373 WeakPolarHBondContact CD-O 3.43Å; P330-G373 WeakPolarHBondContact CG-O 3.47Å |
| 331 | E | 96.7 | Very high | 97 | Very high | 8 Ų | 8 | 10.9 Ų | 10.9 | 4% | 0.037 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.1 | -39 | -178.1 | -173.8 | 61.1 | -163.4 | 0 | 0 | 112.5 | I163 F327 H329 Y333 V334 L335 | I163-E331 HydrophobicContact CG2-CG 4.12Å; F327-E331 HydrophobicContact CE1-CB 4.26Å; F327-E331 HydrophobicContact CE1-CG 4.41Å; F327-E331 HydrophobicContact CE2-CB 3.86Å; F327-E331 HydrophobicContact CE2-CG 4.06Å; F327-E331 VanDerWaalsContact CE2-OE2 3.24Å; F327-E331 WeakPolarHBondContact CE2-OE2 3.41Å; F327-E331 HydrophobicContact CZ-CB 3.7Å; F327-E331 HydrophobicContact CZ-CG 3.64Å; F327-E331 PolarHBondContact O-N 3.48Å; H329-E331 PolarHBondContact O-N 2.94Å; E331-Y333 PolarHBondContact O-N 3.07Å; E331-V334 WeakPolarHBondContact O-CB 3.34Å; E331-V334 PolarHBondContact O-N 3.24Å; E331-V334 VanDerWaalsContact O-N 3.11Å; E331-L335 WeakPolarHBondContact O-CG 3.32Å; E331-L335 PolarHBondContact O-N 2.99Å |
| 332 | V | 95.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 9 Ų | 9 | 16% | 0.164 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65.6 | -26.5 | 176.7 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | H329 P330 I336 F467 L471 | H329-V332 WeakPolarHBondContact O-CG2 3.49Å; H329-V332 PolarHBondContact O-N 3.21Å; P330-V332 VanDerWaalsContact C-N 3.31Å; P330-V332 PolarHBondContact O-N 3.49Å; V332-I336 WeakPolarHBondContact O-CG2 3.17Å; V332-I336 PolarHBondContact O-N 3.28Å; V332-F467 HydrophobicContact CG1-CE2 3.71Å; V332-L471 HydrophobicContact CB-CD2 4.37Å; V332-L471 HydrophobicContact CG1-CD1 4.47Å; V332-L471 HydrophobicContact CG1-CD2 4.36Å |
| 333 | Y | 96.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 6.7 Ų | 6.7 | 10% | 0.102 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -75.6 | -37.2 | 171.9 | -64.3 | -60.2 | 0 | 0 | 0 | 112.5 | H329 P330 E331 L335 I336 L337 M369 G373 M401 | H329-Y333 AromaticContact CD2-CE2 3.42Å; H329-Y333 VanDerWaalsContact CD2-CE2 3.42Å; H329-Y333 WeakPolarHBondContact CD2-CE2 3.44Å; H329-Y333 AromaticContact NE2-CE2 3.11Å; H329-Y333 WeakPolarHBondContact NE2-CE2 3.07Å; H329-Y333 AromaticContact NE2-CZ 3.39Å; H329-Y333 PolarHBondContact NE2-OH 3.11Å; P330-Y333 WeakPolarHBondContact O-CA 3.33Å; P330-Y333 WeakPolarHBondContact O-CB 3.43Å; P330-Y333 PolarHBondContact O-N 3.31Å; E331-Y333 PolarHBondContact O-N 3.07Å; Y333-L335 PolarHBondContact O-N 3.33Å; Y333-I336 HydrophobicContact CD1-CG2 4.34Å; Y333-I336 PolarHBondContact O-N 3.29Å; Y333-I336 VanDerWaalsContact O-N 3.16Å; Y333-L337 WeakPolarHBondContact O-CB 3.28Å; Y333-L337 VanDerWaalsContact O-CG 3.23Å; Y333-L337 WeakPolarHBondContact O-CG 3.32Å; Y333-L337 PolarHBondContact O-N 3.3Å; Y333-M369 HydrophobicContact CD1-CB 4.42Å; Y333-G373 VanDerWaalsContact CE2-CA 3.49Å; Y333-M401 HydrophobicContact CD1-CE 4.49Å; Y333-M401 HydrophobicContact CE1-CE 3.52Å; Y333-M401 HydrophobicContact CE2-CE 3.96Å; Y333-M401 WeakPolarHBondContact OH-CE 3.44Å; Y333-M401 WeakPolarHBondContact OH-CG 3.38Å |
| 334 | V | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 6.4 Ų | 6.4 | 1% | 0.012 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -54.7 | -42.6 | 172.3 | 170.4 | 0 | 0 | 0 | 0 | 110.1 | M168 T280 L283 L284 P330 E331 I336 P338 | M168-V334 HydrophobicContact CE-CG1 3.85Å; M168-V334 HydrophobicContact SD-CG1 3.58Å; M168-V334 VanDerWaalsContact SD-CG1 3.58Å; T280-V334 HydrophobicContact CG2-CB 4.13Å; T280-V334 HydrophobicContact CG2-CG1 3.58Å; T280-V334 HydrophobicContact CG2-CG2 4.4Å; L283-V334 HydrophobicContact CB-CG2 3.79Å; L283-V334 HydrophobicContact CD1-CG2 4.33Å; L284-V334 HydrophobicContact CD1-CG1 4Å; L284-V334 HydrophobicContact CD2-CB 4.41Å; L284-V334 HydrophobicContact CD2-CG1 3.7Å; L284-V334 HydrophobicContact CD2-CG2 3.92Å; L284-V334 HydrophobicContact CG-CG1 3.87Å; L284-V334 HydrophobicContact CG-CG2 3.85Å; P330-V334 PolarHBondContact O-N 3.05Å; E331-V334 WeakPolarHBondContact O-CB 3.34Å; E331-V334 PolarHBondContact O-N 3.24Å; E331-V334 VanDerWaalsContact O-N 3.11Å; V334-I336 PolarHBondContact O-N 2.94Å; V334-P338 WeakPolarHBondContact O-CD 3.28Å |
| 335 | L | 96.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -74.7 | -17.9 | -178.7 | -62.2 | -178.8 | 0 | 0 | 0 | 114.7 | I163 L167 M168 L171 E331 Y333 L471 S475 | I163-L335 HydrophobicContact CG2-CD1 4.31Å; L167-L335 HydrophobicContact CB-CD1 4.45Å; L167-L335 HydrophobicContact CB-CD2 3.87Å; L167-L335 HydrophobicContact CD1-CD1 4.18Å; M168-L335 HydrophobicContact CB-CD2 3.9Å; M168-L335 HydrophobicContact SD-CD2 4.27Å; L171-L335 WeakPolarHBondContact CD1-O 3.43Å; E331-L335 WeakPolarHBondContact O-CG 3.32Å; E331-L335 PolarHBondContact O-N 2.99Å; Y333-L335 PolarHBondContact O-N 3.33Å; L335-L471 HydrophobicContact CB-CD2 3.94Å; L335-L471 HydrophobicContact CD1-CD1 4.01Å; L335-L471 HydrophobicContact CD1-CD2 3.73Å; L335-S475 WeakPolarHBondContact O-CB 3.24Å; L335-S475 PolarHBondContact O-OG 2.99Å |
| 336 | I | 96.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 7.1 Ų | 7.1 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -110.6 | -28.5 | -176.7 | -162.1 | 65.3 | 0 | 0 | 0 | 113.7 | V332 Y333 V334 G339 F340 F434 F438 | V332-I336 WeakPolarHBondContact O-CG2 3.17Å; V332-I336 PolarHBondContact O-N 3.28Å; Y333-I336 HydrophobicContact CD1-CG2 4.34Å; Y333-I336 PolarHBondContact O-N 3.29Å; Y333-I336 VanDerWaalsContact O-N 3.16Å; V334-I336 PolarHBondContact O-N 2.94Å; I336-G339 CarbonylContact O-C 3.46Å; I336-G339 VanDerWaalsContact O-CA 3.32Å; I336-G339 WeakPolarHBondContact O-CA 3.32Å; I336-G339 PolarHBondContact O-N 3.07Å; I336-F340 HydrophobicContact CD1-CD1 4.42Å; I336-F340 HydrophobicContact CD1-CE1 4.1Å; I336-F340 HydrophobicContact CG1-CD1 3.82Å; I336-F340 HydrophobicContact CG1-CE1 3.42Å; I336-F340 VanDerWaalsContact CG1-CE1 3.42Å; I336-F340 HydrophobicContact CG1-CE2 4.15Å; I336-F340 HydrophobicContact CG1-CG 4.4Å; I336-F340 HydrophobicContact CG1-CZ 3.62Å; I336-F340 HydrophobicContact CG2-CD2 4.39Å; I336-F340 HydrophobicContact CG2-CE2 3.96Å; I336-F340 HydrophobicContact CG2-CZ 4.16Å; I336-F340 PolarHBondContact O-N 3.46Å; I336-F434 HydrophobicContact CD1-CE2 4.18Å; I336-F434 HydrophobicContact CD1-CZ 4.46Å; I336-F438 HydrophobicContact CD1-CD2 4.29Å; I336-F438 HydrophobicContact CD1-CE2 3.83Å; I336-F438 HydrophobicContact CG1-CE2 3.79Å; I336-F438 HydrophobicContact CG1-CZ 4.1Å |
| 337 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | -177.8 | -78.4 | 172.6 | 0 | 0 | 0 | 113.3 | A276 F279 T280 L283 Y333 G339 F340 G341 M366 M369 V370 | A276-L337 VanDerWaalsContact CB-O 3.29Å; A276-L337 WeakPolarHBondContact CB-O 3.44Å; F279-L337 HydrophobicContact CB-CD1 4.12Å; T280-L337 WeakPolarHBondContact OG1-CB 3.42Å; L283-L337 HydrophobicContact CD1-CD1 3.73Å; Y333-L337 WeakPolarHBondContact O-CB 3.28Å; Y333-L337 VanDerWaalsContact O-CG 3.23Å; Y333-L337 WeakPolarHBondContact O-CG 3.32Å; Y333-L337 PolarHBondContact O-N 3.3Å; L337-G339 VanDerWaalsContact C-N 3.27Å; L337-G339 PolarHBondContact O-N 3.44Å; L337-F340 HydrophobicContact CD2-CD2 4.24Å; L337-F340 WeakPolarHBondContact O-CB 3.48Å; L337-F340 PolarHBondContact O-N 3.49Å; L337-G341 PolarHBondContact O-N 3.35Å; L337-M366 HydrophobicContact CD2-CB 4Å; L337-M366 HydrophobicContact CD2-CG 3.76Å; L337-M366 HydrophobicContact CD2-SD 4.28Å; L337-M369 HydrophobicContact CD2-SD 4.01Å; L337-V370 HydrophobicContact CD1-CG2 4.48Å |
| 338 | P | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -58.6 | -41 | 172.3 | -24.5 | 35.7 | 0 | 0 | 0 | 112 | Y277 T280 V334 F340 G341 M342 M482 | Y277-P338 HydrophobicContact CD1-CG 4.44Å; Y277-P338 HydrophobicContact CE1-CB 3.95Å; Y277-P338 HydrophobicContact CE1-CG 4.09Å; T280-P338 HydrophobicContact CG2-CG 4.23Å; T280-P338 WeakPolarHBondContact OG1-CD 3.4Å; V334-P338 WeakPolarHBondContact O-CD 3.28Å; P338-F340 VanDerWaalsContact C-N 3.35Å; P338-F340 PolarHBondContact O-N 3.01Å; P338-G341 PolarHBondContact O-N 2.96Å; P338-M342 PolarHBondContact O-N 3.43Å; P338-M342 VanDerWaalsContact O-N 3.1Å; P338-M482 HydrophobicContact CB-CE 4.2Å; P338-M482 VanDerWaalsContact O-CE 3.25Å; P338-M482 WeakPolarHBondContact O-CE 3.38Å |
| 339 | G | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I336 L337 G341 M342 V343 S478 | I336-G339 CarbonylContact O-C 3.46Å; I336-G339 VanDerWaalsContact O-CA 3.32Å; I336-G339 WeakPolarHBondContact O-CA 3.32Å; I336-G339 PolarHBondContact O-N 3.07Å; L337-G339 VanDerWaalsContact C-N 3.27Å; L337-G339 PolarHBondContact O-N 3.44Å; G339-G341 PolarHBondContact O-N 3.11Å; G339-M342 PolarHBondContact O-N 2.94Å; G339-V343 WeakPolarHBondContact O-CG2 3.49Å; G339-V343 PolarHBondContact O-N 3.4Å; G339-S478 WeakPolarHBondContact CA-OG 3.39Å |
| 340 | F | 97 | Very high | 95.3 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 175.5 | -72.7 | -9.8 | 0 | 0 | 0 | 114 | I336 L337 P338 M342 S344 M369 K408 W412 F434 F438 | I336-F340 HydrophobicContact CD1-CD1 4.42Å; I336-F340 HydrophobicContact CD1-CE1 4.1Å; I336-F340 HydrophobicContact CG1-CD1 3.82Å; I336-F340 HydrophobicContact CG1-CE1 3.42Å; I336-F340 VanDerWaalsContact CG1-CE1 3.42Å; I336-F340 HydrophobicContact CG1-CE2 4.15Å; I336-F340 HydrophobicContact CG1-CG 4.4Å; I336-F340 HydrophobicContact CG1-CZ 3.62Å; I336-F340 HydrophobicContact CG2-CD2 4.39Å; I336-F340 HydrophobicContact CG2-CE2 3.96Å; I336-F340 HydrophobicContact CG2-CZ 4.16Å; I336-F340 PolarHBondContact O-N 3.46Å; L337-F340 HydrophobicContact CD2-CD2 4.24Å; L337-F340 WeakPolarHBondContact O-CB 3.48Å; L337-F340 PolarHBondContact O-N 3.49Å; P338-F340 VanDerWaalsContact C-N 3.35Å; P338-F340 PolarHBondContact O-N 3.01Å; F340-M342 VanDerWaalsContact C-N 3.26Å; F340-M342 PolarHBondContact O-N 3.38Å; F340-S344 WeakPolarHBondContact O-CB 3.38Å; F340-S344 PolarHBondContact O-N 3Å; F340-S344 VanDerWaalsContact O-N 3.09Å; F340-S344 PolarHBondContact O-OG 2.93Å; F340-M369 HydrophobicContact CD2-CE 4.37Å; F340-M369 HydrophobicContact CD2-SD 4.1Å; F340-M369 HydrophobicContact CE2-CE 3.67Å; F340-M369 HydrophobicContact CE2-SD 3.74Å; F340-K408 VanDerWaalsContact CB-CE 3.43Å; F340-K408 HydrophobicContact CD2-CD 3.92Å; F340-K408 HydrophobicContact CE2-CD 4.25Å; F340-K408 HydrophobicContact CG-CD 4.46Å; F340-W412 HydrophobicContact CB-CH2 4.37Å; F340-W412 HydrophobicContact CB-CZ2 4.11Å; F340-W412 AromaticContact CD1-CH2 3.39Å; F340-W412 HydrophobicContact CD1-CH2 3.39Å; F340-W412 AromaticContact CD1-CZ2 3.99Å; F340-W412 HydrophobicContact CD1-CZ2 3.99Å; F340-W412 HydrophobicContact CD1-CZ3 4.42Å; F340-W412 AromaticContact CE1-CH2 3.69Å; F340-W412 HydrophobicContact CE1-CH2 3.69Å; F340-W412 HydrophobicContact CE1-CZ3 4.41Å; F340-W412 AromaticContact CG-CH2 3.94Å; F340-W412 HydrophobicContact CG-CH2 3.94Å; F340-W412 HydrophobicContact CG-CZ2 4.17Å; F340-W412 HydrophobicContact CZ-CH2 4.49Å; F340-F434 AromaticContact CD1-CZ 3.96Å; F340-F434 HydrophobicContact CD1-CZ 3.96Å; F340-F434 AromaticContact CE1-CZ 3.88Å; F340-F434 HydrophobicContact CE1-CZ 3.88Å; F340-F438 HydrophobicContact CE1-CD1 4.31Å; F340-F438 AromaticContact CE1-CE1 3.76Å; F340-F438 HydrophobicContact CE1-CE1 3.76Å; F340-F438 HydrophobicContact CE1-CE2 4.23Å; F340-F438 AromaticContact CE1-CZ 3.73Å; F340-F438 HydrophobicContact CE1-CZ 3.73Å; F340-F438 HydrophobicContact CZ-CD1 4.47Å; F340-F438 AromaticContact CZ-CE1 3.51Å; F340-F438 HydrophobicContact CZ-CE1 3.51Å; F340-F438 HydrophobicContact CZ-CE2 4.23Å; F340-F438 AromaticContact CZ-CZ 3.38Å; F340-F438 HydrophobicContact CZ-CZ 3.38Å |
| 341 | G | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | L337 P338 G339 S344 H345 | L337-G341 PolarHBondContact O-N 3.35Å; P338-G341 PolarHBondContact O-N 2.96Å; G339-G341 PolarHBondContact O-N 3.11Å; G341-S344 PolarHBondContact O-N 2.92Å; G341-H345 PolarHBondContact O-N 3.34Å |
| 342 | M | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -77.8 | -41.7 | -177.1 | 167.2 | -100.1 | -52.3 | 0 | 0 | 112.7 | M273 P338 G339 F340 S344 H345 I346 S478 M481 M482 W486 | M273-M342 HydrophobicContact CE-CB 4.22Å; M273-M342 WeakPolarHBondContact SD-CA 3.13Å; M273-M342 HydrophobicContact SD-CB 3.59Å; M273-M342 VanDerWaalsContact SD-CB 3.59Å; M273-M342 PolarHBondContact SD-N 3.22Å; P338-M342 PolarHBondContact O-N 3.43Å; P338-M342 VanDerWaalsContact O-N 3.1Å; G339-M342 PolarHBondContact O-N 2.94Å; F340-M342 VanDerWaalsContact C-N 3.26Å; F340-M342 PolarHBondContact O-N 3.38Å; M342-S344 PolarHBondContact O-N 2.73Å; M342-H345 CarbonylContact O-C 3.59Å; M342-H345 WeakPolarHBondContact O-CA 3.26Å; M342-H345 WeakPolarHBondContact O-CB 3.28Å; M342-H345 PolarHBondContact O-N 2.91Å; M342-I346 HydrophobicContact CG-CD1 3.82Å; M342-I346 HydrophobicContact CG-CG1 4.18Å; M342-I346 WeakPolarHBondContact O-CG1 3.44Å; M342-I346 PolarHBondContact O-N 3.2Å; M342-I346 HydrophobicContact SD-CD1 3.43Å; M342-I346 WeakPolarHBondContact SD-CD1 3.48Å; M342-I346 HydrophobicContact SD-CG1 4.34Å; M342-S478 VanDerWaalsContact CE-C 3.4Å; M342-S478 WeakPolarHBondContact CE-O 3.49Å; M342-M481 HydrophobicContact CE-CB 4.12Å; M342-M481 HydrophobicContact SD-CB 3.66Å; M342-M482 HydrophobicContact CB-CE 3.49Å; M342-M482 VanDerWaalsContact CB-CE 3.49Å; M342-M482 HydrophobicContact CB-CG 4.27Å; M342-M482 HydrophobicContact CE-CB 3.64Å; M342-M482 HydrophobicContact CE-CE 3.86Å; M342-M482 HydrophobicContact CE-CG 3.49Å; M342-M482 VanDerWaalsContact CE-CG 3.49Å; M342-M482 HydrophobicContact CE-SD 3.8Å; M342-M482 HydrophobicContact CG-CE 4.14Å; M342-M482 HydrophobicContact CG-CG 3.84Å; M342-M482 HydrophobicContact SD-CB 4.32Å; M342-M482 HydrophobicContact SD-CG 4.19Å; M342-W486 HydrophobicContact CB-CH2 4.05Å; M342-W486 HydrophobicContact CB-CZ3 4.25Å; M342-W486 HydrophobicContact CG-CH2 3.73Å; M342-W486 HydrophobicContact CG-CZ3 3.74Å |
| 343 | V | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.1 | -41.4 | 171.7 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | G339 H345 I346 C347 W412 L431 F434 M481 | G339-V343 WeakPolarHBondContact O-CG2 3.49Å; G339-V343 PolarHBondContact O-N 3.4Å; V343-H345 PolarHBondContact O-N 3.38Å; V343-I346 PolarHBondContact O-N 3.15Å; V343-C347 WeakPolarHBondContact O-CB 3.35Å; V343-C347 PolarHBondContact O-N 3.44Å; V343-C347 PolarHBondContact O-SG 2.89Å; V343-W412 HydrophobicContact CB-CZ2 4.22Å; V343-W412 HydrophobicContact CG1-CD2 3.56Å; V343-W412 HydrophobicContact CG1-CE3 3.92Å; V343-W412 HydrophobicContact CG1-CG 3.91Å; V343-W412 HydrophobicContact CG1-CH2 4.41Å; V343-W412 HydrophobicContact CG1-CZ2 4.04Å; V343-W412 HydrophobicContact CG1-CZ3 4.35Å; V343-L431 HydrophobicContact CB-CD2 4.49Å; V343-L431 HydrophobicContact CG1-CD2 3.94Å; V343-L431 HydrophobicContact CG2-CD2 4.38Å; V343-F434 HydrophobicContact CB-CE1 4.42Å; V343-F434 HydrophobicContact CG1-CD1 4.36Å; V343-F434 HydrophobicContact CG1-CE1 4.2Å; V343-F434 HydrophobicContact CG2-CD1 3.97Å; V343-F434 HydrophobicContact CG2-CE1 3.78Å; V343-F434 HydrophobicContact CG2-CZ 4.15Å; V343-M481 HydrophobicContact CG2-CE 3.58Å; V343-M481 HydrophobicContact CG2-SD 4.46Å |
| 344 | S | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.3 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | F340 G341 M342 M348 W412 | F340-S344 WeakPolarHBondContact O-CB 3.38Å; F340-S344 PolarHBondContact O-N 3Å; F340-S344 VanDerWaalsContact O-N 3.09Å; F340-S344 PolarHBondContact O-OG 2.93Å; G341-S344 PolarHBondContact O-N 2.92Å; M342-S344 PolarHBondContact O-N 2.73Å; S344-M348 WeakPolarHBondContact O-CB 3.11Å; S344-M348 PolarHBondContact O-N 2.94Å; S344-M348 VanDerWaalsContact O-N 3.09Å; S344-W412 PolarHBondContact OG-NE1 3.08Å |
| 345 | H | 94.5 | Very high | 92.8 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -47.9 | 176.9 | -177.6 | -75.8 | 0 | 0 | 0 | 112 | F183 M273 G341 M342 V343 M348 S349 | F183-H345 AromaticContact CE1-CD2 3.93Å; F183-H345 AromaticContact CE1-NE2 3.73Å; M273-H345 HydrophobicContact CG-CB 4.4Å; G341-H345 PolarHBondContact O-N 3.34Å; M342-H345 CarbonylContact O-C 3.59Å; M342-H345 WeakPolarHBondContact O-CA 3.26Å; M342-H345 WeakPolarHBondContact O-CB 3.28Å; M342-H345 PolarHBondContact O-N 2.91Å; V343-H345 PolarHBondContact O-N 3.38Å; H345-M348 PolarHBondContact O-N 2.73Å; H345-S349 PolarHBondContact O-N 3.03Å; H345-S349 PolarHBondContact O-OG 2.84Å |
| 346 | I | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.1 | -46.7 | -179.2 | -63.2 | 177.6 | 0 | 0 | 0 | 110.6 | M342 V343 M348 S349 L350 M427 L431 M481 W485 | M342-I346 HydrophobicContact CG-CD1 3.82Å; M342-I346 HydrophobicContact CG-CG1 4.18Å; M342-I346 WeakPolarHBondContact O-CG1 3.44Å; M342-I346 PolarHBondContact O-N 3.2Å; M342-I346 HydrophobicContact SD-CD1 3.43Å; M342-I346 WeakPolarHBondContact SD-CD1 3.48Å; M342-I346 HydrophobicContact SD-CG1 4.34Å; V343-I346 PolarHBondContact O-N 3.15Å; I346-M348 VanDerWaalsContact C-N 3.28Å; I346-M348 PolarHBondContact O-N 3.46Å; I346-S349 PolarHBondContact O-N 3.25Å; I346-L350 HydrophobicContact CG2-CD1 3.92Å; I346-L350 HydrophobicContact CG2-CG 4.18Å; I346-L350 WeakPolarHBondContact O-CB 3.2Å; I346-L350 WeakPolarHBondContact O-CG 3.48Å; I346-L350 PolarHBondContact O-N 3.44Å; I346-M427 HydrophobicContact CD1-CE 3.83Å; I346-M427 HydrophobicContact CD1-SD 4.31Å; I346-L431 HydrophobicContact CB-CD2 4.47Å; I346-L431 HydrophobicContact CG2-CD1 3.81Å; I346-L431 HydrophobicContact CG2-CD2 4.29Å; I346-L431 HydrophobicContact CG2-CG 4.43Å; I346-M481 HydrophobicContact CD1-CB 4.24Å; I346-W485 HydrophobicContact CB-CE3 4.48Å; I346-W485 HydrophobicContact CD1-CB 3.92Å; I346-W485 HydrophobicContact CD1-CD2 4.04Å; I346-W485 HydrophobicContact CD1-CE3 4.22Å; I346-W485 HydrophobicContact CD1-CG 3.91Å; I346-W485 HydrophobicContact CG1-CB 4.44Å; I346-W485 HydrophobicContact CG1-CD2 3.73Å; I346-W485 HydrophobicContact CG1-CE3 4.07Å; I346-W485 HydrophobicContact CG1-CG 3.89Å; I346-W485 HydrophobicContact CG2-CD2 4.24Å; I346-W485 HydrophobicContact CG2-CE3 3.73Å; I346-W485 HydrophobicContact CG2-CH2 4.11Å; I346-W485 HydrophobicContact CG2-CZ3 3.67Å |
| 347 | C | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -41.1 | 177 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | V343 S351 M415 L416 | V343-C347 WeakPolarHBondContact O-CB 3.35Å; V343-C347 PolarHBondContact O-N 3.44Å; V343-C347 PolarHBondContact O-SG 2.89Å; C347-S351 VanDerWaalsContact O-CB 3.25Å; C347-S351 WeakPolarHBondContact O-CB 3.25Å; C347-S351 PolarHBondContact O-N 3.39Å; C347-S351 PolarHBondContact O-OG 3.49Å; C347-M415 HydrophobicContact CB-CB 4.12Å; C347-M415 HydrophobicContact CB-CE 3.63Å; C347-M415 HydrophobicContact CB-SD 4.26Å; C347-L416 HydrophobicContact CB-CD2 4.35Å |
| 348 | M | 92.2 | Very high | 92.2 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 18% | 0.177 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -48.8 | 175 | -179.8 | -167 | 78.5 | 0 | 0 | 111.4 | S344 H345 I346 S351 N352 K353 M415 | S344-M348 WeakPolarHBondContact O-CB 3.11Å; S344-M348 PolarHBondContact O-N 2.94Å; S344-M348 VanDerWaalsContact O-N 3.09Å; H345-M348 PolarHBondContact O-N 2.73Å; I346-M348 VanDerWaalsContact C-N 3.28Å; I346-M348 PolarHBondContact O-N 3.46Å; M348-S351 WeakPolarHBondContact CA-OG 3.35Å; M348-S351 WeakPolarHBondContact O-CA 3.25Å; M348-S351 PolarHBondContact O-N 3.1Å; M348-S351 VanDerWaalsContact O-N 3.07Å; M348-S351 PolarHBondContact O-OG 2.95Å; M348-N352 PolarHBondContact O-N 3.39Å; M348-K353 VanDerWaalsContact CG-O 3.31Å; M348-K353 WeakPolarHBondContact CG-O 3.23Å; M348-K353 PolarHBondContact O-N 3.33Å; M348-M415 HydrophobicContact CB-SD 4.19Å |
| 349 | S | 90.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 28% | 0.28 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 178.7 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | H345 I346 S351 N352 | H345-S349 PolarHBondContact O-N 3.03Å; H345-S349 PolarHBondContact O-OG 2.84Å; I346-S349 PolarHBondContact O-N 3.25Å; S349-S351 PolarHBondContact O-N 2.92Å; S349-N352 PolarHBondContact O-N 3.47Å; S349-N352 VanDerWaalsContact O-N 3.11Å |
| 350 | L | 89.9 | Confident | 92.1 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -25.7 | 175.4 | -70 | 178.7 | 0 | 0 | 0 | 112.2 | I346 N352 L416 V428 L431 W485 | I346-L350 HydrophobicContact CG2-CD1 3.92Å; I346-L350 HydrophobicContact CG2-CG 4.18Å; I346-L350 WeakPolarHBondContact O-CB 3.2Å; I346-L350 WeakPolarHBondContact O-CG 3.48Å; I346-L350 PolarHBondContact O-N 3.44Å; L350-N352 VanDerWaalsContact C-N 3.3Å; L350-L416 HydrophobicContact CD1-CD2 4.37Å; L350-V428 HydrophobicContact CD1-CG2 4.32Å; L350-L431 HydrophobicContact CD1-CD1 3.51Å; L350-W485 HydrophobicContact CD2-CH2 4.14Å; L350-W485 HydrophobicContact CD2-CZ3 4.08Å; L350-W485 HydrophobicContact CG-CH2 4.26Å; L350-W485 HydrophobicContact CG-CZ3 4.29Å |
| 351 | S | 87.6 | Confident | 92.1 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.6 | 178.1 | 75.5 | 0 | 0 | 0 | 0 | 115.6 | C347 M348 S349 K353 M415 C419 | C347-S351 VanDerWaalsContact O-CB 3.25Å; C347-S351 WeakPolarHBondContact O-CB 3.25Å; C347-S351 PolarHBondContact O-N 3.39Å; C347-S351 PolarHBondContact O-OG 3.49Å; M348-S351 WeakPolarHBondContact CA-OG 3.35Å; M348-S351 WeakPolarHBondContact O-CA 3.25Å; M348-S351 PolarHBondContact O-N 3.1Å; M348-S351 VanDerWaalsContact O-N 3.07Å; M348-S351 PolarHBondContact O-OG 2.95Å; S349-S351 PolarHBondContact O-N 2.92Å; S351-K353 PolarHBondContact O-N 3.5Å; S351-K353 WeakPolarHBondContact OG-CG 3.38Å; S351-M415 WeakPolarHBondContact CB-O 3.31Å; S351-C419 WeakPolarHBondContact CA-SG 3.47Å; S351-C419 WeakPolarHBondContact CB-SG 3.38Å; S351-C419 PolarHBondContact O-SG 3.43Å |
| 352 | N | 85 | Confident | 92.1 | Very high | 129 Ų | 129 | 47.9 Ų | 47.9 | 69% | 0.69 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38.8 | -173 | -60.9 | -45.6 | 0 | 0 | 0 | 112.4 | M348 S349 L350 | M348-N352 PolarHBondContact O-N 3.39Å; S349-N352 PolarHBondContact O-N 3.47Å; S349-N352 VanDerWaalsContact O-N 3.11Å; L350-N352 VanDerWaalsContact C-N 3.3Å |
| 353 | K | 84.9 | Confident | 92.3 | Very high | 125 Ų | 125 | 48.5 Ų | 48.5 | 54% | 0.543 | 26% | 0.26 | S | S | . | . | trans | -110.3 | 145.5 | 175.9 | -63.2 | -61.2 | -175.2 | -179.4 | 0 | 110 | M348 S351 S355 | M348-K353 VanDerWaalsContact CG-O 3.31Å; M348-K353 WeakPolarHBondContact CG-O 3.23Å; M348-K353 PolarHBondContact O-N 3.33Å; S351-K353 PolarHBondContact O-N 3.5Å; S351-K353 WeakPolarHBondContact OG-CG 3.38Å; K353-S355 PolarHBondContact O-N 3.04Å | ||
| 354 | D | 84.7 | Confident | 92.4 | Very high | 171 Ų | 171 | 52.4 Ų | 52.4 | 91% | 0.914 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -72.9 | -16.4 | 178.9 | -60.1 | -35.9 | 0 | 0 | 0 | 113.5 | ||
| 355 | S | 88 | Confident | 92.5 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 53% | 0.531 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -144.3 | 151.2 | 179.8 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | K353 | K353-S355 PolarHBondContact O-N 3.04Š|
| 356 | S | 91.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | trans | -65.9 | 137.7 | 173.8 | -51.8 | 0 | 0 | 0 | 0 | 110.4 | G358 Y359 | S356-G358 PolarHBondContact O-N 2.97Å; S356-Y359 WeakPolarHBondContact O-CB 3.49Å; S356-Y359 PolarHBondContact O-N 3.45Å; S356-Y359 VanDerWaalsContact O-N 3.13Å | ||
| 357 | F | 92.7 | Very high | 92.8 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 133.4 | 171.5 | 176.3 | -100.3 | 0 | 0 | 0 | 110.3 | Y359 Y414 M415 | F357-Y359 VanDerWaalsContact C-N 3.28Å; F357-Y359 PolarHBondContact O-N 3.31Å; F357-Y414 HydrophobicContact CB-CD1 3.78Å; F357-Y414 HydrophobicContact CB-CE1 4.28Å; F357-Y414 AromaticContact CD1-CD1 3.72Å; F357-Y414 HydrophobicContact CD1-CD1 3.72Å; F357-Y414 HydrophobicContact CD1-CE1 4.44Å; F357-Y414 HydrophobicContact CD1-CG 4.1Å; F357-Y414 AromaticContact CD2-CD1 3.35Å; F357-Y414 HydrophobicContact CD2-CD1 3.35Å; F357-Y414 AromaticContact CD2-CE1 3.24Å; F357-Y414 HydrophobicContact CD2-CE1 3.24Å; F357-Y414 HydrophobicContact CD2-CG 4.3Å; F357-Y414 HydrophobicContact CE1-CD1 4.09Å; F357-Y414 HydrophobicContact CE1-CG 4.16Å; F357-Y414 AromaticContact CE2-CD1 3.76Å; F357-Y414 HydrophobicContact CE2-CD1 3.76Å; F357-Y414 AromaticContact CE2-CE1 3.54Å; F357-Y414 HydrophobicContact CE2-CE1 3.54Å; F357-Y414 HydrophobicContact CE2-CG 4.36Å; F357-Y414 AromaticContact CE2-CZ 3.97Å; F357-Y414 AromaticContact CG-CD1 3.31Å; F357-Y414 HydrophobicContact CG-CD1 3.31Å; F357-Y414 AromaticContact CG-CE1 3.74Å; F357-Y414 HydrophobicContact CG-CE1 3.74Å; F357-Y414 HydrophobicContact CG-CG 4.15Å; F357-Y414 HydrophobicContact CZ-CD1 4.1Å; F357-Y414 HydrophobicContact CZ-CE1 4.26Å; F357-Y414 HydrophobicContact CZ-CG 4.28Å; F357-M415 HydrophobicContact CB-CG 3.64Å; F357-M415 HydrophobicContact CB-SD 4.3Å; F357-M415 PolarHBondContact N-SD 3.35Å; F357-M415 VanDerWaalsContact N-SD 3.41Å |
| 358 | G | 92.9 | Very high | 93 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 32.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S356 Y360 G361 L362 | S356-G358 PolarHBondContact O-N 2.97Å; G358-Y360 VanDerWaalsContact C-N 3.32Å; G358-Y360 PolarHBondContact O-N 2.99Å; G358-Y360 VanDerWaalsContact O-N 3.14Å; G358-G361 CarbonylContact O-C 3.52Å; G358-G361 VanDerWaalsContact O-CA 3.26Å; G358-G361 WeakPolarHBondContact O-CA 3.44Å; G358-G361 PolarHBondContact O-N 3.04Å; G358-L362 PolarHBondContact O-N 3.11Å |
| 359 | Y | 95.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 13% | 0.125 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -41.2 | -51.7 | -177 | 177 | -99.1 | 0 | 0 | 0 | 114.5 | F268 C270 M272 W275 S356 F357 G361 L362 I363 | F268-Y359 VanDerWaalsContact C-OH 3.3Å; F268-Y359 WeakPolarHBondContact O-CE1 3.35Å; F268-Y359 PolarHBondContact O-OH 3.01Å; C270-Y359 PolarHBondContact O-OH 3.13Å; M272-Y359 HydrophobicContact CG-CD2 4.19Å; M272-Y359 HydrophobicContact CG-CE2 4.21Å; M272-Y359 HydrophobicContact SD-CD2 3.52Å; M272-Y359 VanDerWaalsContact SD-CD2 3.52Å; M272-Y359 HydrophobicContact SD-CE2 3.54Å; M272-Y359 VanDerWaalsContact SD-CE2 3.54Å; M272-Y359 HydrophobicContact SD-CG 4.49Å; W275-Y359 PolarHBondContact NE1-OH 3.45Å; W275-Y359 VanDerWaalsContact NE1-OH 3.09Å; S356-Y359 WeakPolarHBondContact O-CB 3.49Å; S356-Y359 PolarHBondContact O-N 3.45Å; S356-Y359 VanDerWaalsContact O-N 3.13Å; F357-Y359 VanDerWaalsContact C-N 3.28Å; F357-Y359 PolarHBondContact O-N 3.31Å; Y359-G361 PolarHBondContact O-N 3.47Å; Y359-L362 PolarHBondContact O-N 3.45Å; Y359-I363 HydrophobicContact CD1-CD1 3.94Å; Y359-I363 HydrophobicContact CE1-CD1 3.37Å; Y359-I363 HydrophobicContact CE2-CD1 4.13Å; Y359-I363 VanDerWaalsContact CZ-CD1 3.49Å; Y359-I363 WeakPolarHBondContact O-CG1 3.32Å; Y359-I363 PolarHBondContact O-N 3Å; Y359-I363 VanDerWaalsContact O-N 3.07Å |
| 360 | Y | 96.3 | Very high | 93.6 | Very high | 153 Ų | 153 | 51.4 Ų | 51.4 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.2 | -40 | 176 | -64.3 | -70.4 | 0 | 0 | 0 | 112.8 | F268 G358 L362 I363 C364 | F268-Y360 HydrophobicContact CB-CE1 4.42Å; F268-Y360 HydrophobicContact CD1-CE1 4.12Å; F268-Y360 HydrophobicContact CG-CE1 4.43Å; G358-Y360 VanDerWaalsContact C-N 3.32Å; G358-Y360 PolarHBondContact O-N 2.99Å; G358-Y360 VanDerWaalsContact O-N 3.14Å; Y360-L362 VanDerWaalsContact C-N 3.32Å; Y360-L362 PolarHBondContact O-N 3.49Å; Y360-I363 PolarHBondContact O-N 2.96Å; Y360-C364 WeakPolarHBondContact O-CB 3.46Å; Y360-C364 PolarHBondContact O-N 3.43Å; Y360-C364 PolarHBondContact O-SG 2.81Å |
| 361 | G | 96.7 | Very high | 93.9 | Very high | 31 Ų | 31 | 53.7 Ų | 53.7 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | G358 Y359 C364 A365 | G358-G361 CarbonylContact O-C 3.52Å; G358-G361 VanDerWaalsContact O-CA 3.26Å; G358-G361 WeakPolarHBondContact O-CA 3.44Å; G358-G361 PolarHBondContact O-N 3.04Å; Y359-G361 PolarHBondContact O-N 3.47Å; G361-C364 PolarHBondContact O-N 3.41Å; G361-A365 VanDerWaalsContact O-CB 3.28Å; G361-A365 WeakPolarHBondContact O-CB 3.21Å; G361-A365 PolarHBondContact O-N 3.22Å |
| 362 | L | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 175.8 | -66.2 | 175.4 | 0 | 0 | 0 | 112.5 | M272 G358 Y359 Y360 M366 K408 | M272-L362 HydrophobicContact CE-CB 3.4Å; M272-L362 VanDerWaalsContact CE-CB 3.4Å; M272-L362 HydrophobicContact CE-CD1 4.23Å; M272-L362 HydrophobicContact CE-CG 4.45Å; M272-L362 HydrophobicContact SD-CB 4.19Å; M272-L362 HydrophobicContact SD-CD1 4.5Å; G358-L362 PolarHBondContact O-N 3.11Å; Y359-L362 PolarHBondContact O-N 3.45Å; Y360-L362 VanDerWaalsContact C-N 3.32Å; Y360-L362 PolarHBondContact O-N 3.49Å; L362-M366 WeakPolarHBondContact O-CG 3.38Å; L362-M366 PolarHBondContact O-N 2.82Å; L362-M366 VanDerWaalsContact O-N 3.16Å; L362-K408 HydrophobicContact CD2-CB 4.1Å; L362-K408 HydrophobicContact CD2-CG 3.75Å |
| 363 | I | 98 | Very high | 94.7 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -50 | 173.6 | -67.5 | 169.4 | 0 | 0 | 0 | 110 | M272 W275 F279 Y359 Y360 A365 M366 A367 | M272-I363 HydrophobicContact CE-CG1 4.3Å; M272-I363 HydrophobicContact SD-CG1 4.09Å; W275-I363 HydrophobicContact CD2-CD1 4.06Å; W275-I363 HydrophobicContact CD2-CG1 4.17Å; W275-I363 HydrophobicContact CD2-CG2 4.16Å; W275-I363 HydrophobicContact CE3-CG2 4.06Å; W275-I363 HydrophobicContact CG-CD1 4.12Å; W275-I363 HydrophobicContact CG-CG1 3.97Å; W275-I363 HydrophobicContact CZ2-CD1 4.17Å; W275-I363 HydrophobicContact CZ3-CG2 4.35Å; F279-I363 HydrophobicContact CE2-CG2 4.22Å; F279-I363 HydrophobicContact CZ-CG2 4.26Å; Y359-I363 HydrophobicContact CD1-CD1 3.94Å; Y359-I363 HydrophobicContact CE1-CD1 3.37Å; Y359-I363 HydrophobicContact CE2-CD1 4.13Å; Y359-I363 VanDerWaalsContact CZ-CD1 3.49Å; Y359-I363 WeakPolarHBondContact O-CG1 3.32Å; Y359-I363 PolarHBondContact O-N 3Å; Y359-I363 VanDerWaalsContact O-N 3.07Å; Y360-I363 PolarHBondContact O-N 2.96Å; I363-A365 VanDerWaalsContact C-N 3.26Å; I363-A365 PolarHBondContact O-N 3.23Å; I363-M366 PolarHBondContact O-N 2.72Å; I363-M366 VanDerWaalsContact O-N 3.13Å; I363-A367 PolarHBondContact O-N 3.44Å |
| 364 | C | 98 | Very high | 95.1 | Very high | 83 Ų | 83 | 43.1 Ų | 43.1 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.7 | -37.6 | 177.7 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | Y360 G361 A367 S368 | Y360-C364 WeakPolarHBondContact O-CB 3.46Å; Y360-C364 PolarHBondContact O-N 3.43Å; Y360-C364 PolarHBondContact O-SG 2.81Å; G361-C364 PolarHBondContact O-N 3.41Å; C364-A367 PolarHBondContact O-N 3.44Å; C364-S368 WeakPolarHBondContact O-CB 3.44Å; C364-S368 PolarHBondContact O-N 3.01Å; C364-S368 PolarHBondContact O-OG 3.38Å |
| 365 | A | 98.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G361 I363 S368 M369 P404 I407 K408 | G361-A365 VanDerWaalsContact O-CB 3.28Å; G361-A365 WeakPolarHBondContact O-CB 3.21Å; G361-A365 PolarHBondContact O-N 3.22Å; I363-A365 VanDerWaalsContact C-N 3.26Å; I363-A365 PolarHBondContact O-N 3.23Å; A365-S368 PolarHBondContact O-N 3.06Å; A365-S368 PolarHBondContact O-OG 3.27Å; A365-M369 WeakPolarHBondContact O-CG 3.29Å; A365-M369 PolarHBondContact O-N 3.37Å; A365-P404 HydrophobicContact CB-CB 3.92Å; A365-I407 HydrophobicContact CB-CG2 4.39Å; A365-K408 HydrophobicContact CB-CD 4.14Å; A365-K408 HydrophobicContact CB-CG 3.9Å |
| 366 | M | 98 | Very high | 96 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 176.6 | -66.1 | -176.1 | -56.6 | 0 | 0 | 112.3 | M272 W275 A276 F279 L337 L362 I363 S368 M369 V370 | M272-M366 HydrophobicContact CE-CE 3.36Å; M272-M366 HydrophobicContact CE-SD 4.3Å; W275-M366 HydrophobicContact CB-CE 3.58Å; A276-M366 HydrophobicContact CB-SD 4.1Å; F279-M366 HydrophobicContact CD2-CB 3.48Å; F279-M366 VanDerWaalsContact CD2-CB 3.48Å; F279-M366 HydrophobicContact CD2-CE 4.12Å; F279-M366 HydrophobicContact CE2-CB 3.77Å; F279-M366 HydrophobicContact CE2-CE 4.15Å; F279-M366 HydrophobicContact CG-CB 4.32Å; L337-M366 HydrophobicContact CD2-CB 4Å; L337-M366 HydrophobicContact CD2-CG 3.76Å; L337-M366 HydrophobicContact CD2-SD 4.28Å; L362-M366 WeakPolarHBondContact O-CG 3.38Å; L362-M366 PolarHBondContact O-N 2.82Å; L362-M366 VanDerWaalsContact O-N 3.16Å; I363-M366 PolarHBondContact O-N 2.72Å; I363-M366 VanDerWaalsContact O-N 3.13Å; M366-S368 VanDerWaalsContact C-N 3.32Å; M366-S368 PolarHBondContact O-N 2.88Å; M366-M369 WeakPolarHBondContact O-CB 3.44Å; M366-M369 PolarHBondContact O-N 2.91Å; M366-V370 WeakPolarHBondContact O-CG2 3.48Å; M366-V370 PolarHBondContact O-N 3.37Å |
| 367 | A | 97.9 | Very high | 96.3 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 26% | 0.264 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F279 I363 C364 M369 V370 C371 | F279-A367 HydrophobicContact CE1-CB 3.82Å; F279-A367 HydrophobicContact CE2-CB 4.45Å; F279-A367 HydrophobicContact CZ-CB 3.68Å; I363-A367 PolarHBondContact O-N 3.44Å; C364-A367 PolarHBondContact O-N 3.44Å; A367-M369 VanDerWaalsContact C-N 3.34Å; A367-M369 PolarHBondContact O-N 3.02Å; A367-V370 WeakPolarHBondContact O-CB 3.36Å; A367-V370 PolarHBondContact O-N 2.89Å; A367-V370 VanDerWaalsContact O-N 3.16Å; A367-C371 PolarHBondContact O-N 3.1Å; A367-C371 VanDerWaalsContact O-N 3.08Å; A367-C371 PolarHBondContact O-SG 3.3Å |
| 368 | S | 97.6 | Very high | 96.6 | Very high | 37 Ų | 37 | 32.1 Ų | 32.1 | 26% | 0.259 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.9 | -34.7 | 176.9 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | C364 A365 M366 V370 C371 L372 P404 | C364-S368 WeakPolarHBondContact O-CB 3.44Å; C364-S368 PolarHBondContact O-N 3.01Å; C364-S368 PolarHBondContact O-OG 3.38Å; A365-S368 PolarHBondContact O-N 3.06Å; A365-S368 PolarHBondContact O-OG 3.27Å; M366-S368 VanDerWaalsContact C-N 3.32Å; M366-S368 PolarHBondContact O-N 2.88Å; S368-V370 VanDerWaalsContact C-N 3.3Å; S368-V370 PolarHBondContact O-N 3.38Å; S368-C371 PolarHBondContact O-N 3.48Å; S368-L372 VanDerWaalsContact O-CB 3.25Å; S368-L372 WeakPolarHBondContact O-CB 3.39Å; S368-L372 WeakPolarHBondContact O-CG 3.37Å; S368-L372 PolarHBondContact O-N 3.04Å; S368-P404 WeakPolarHBondContact OG-CB 3.24Å |
| 369 | M | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 172.4 | -71 | 171.2 | 175.9 | 0 | 0 | 111.5 | Y333 L337 F340 A365 M366 A367 G373 M401 P404 T405 K408 | Y333-M369 HydrophobicContact CD1-CB 4.42Å; L337-M369 HydrophobicContact CD2-SD 4.01Å; F340-M369 HydrophobicContact CD2-CE 4.37Å; F340-M369 HydrophobicContact CD2-SD 4.1Å; F340-M369 HydrophobicContact CE2-CE 3.67Å; F340-M369 HydrophobicContact CE2-SD 3.74Å; A365-M369 WeakPolarHBondContact O-CG 3.29Å; A365-M369 PolarHBondContact O-N 3.37Å; M366-M369 WeakPolarHBondContact O-CB 3.44Å; M366-M369 PolarHBondContact O-N 2.91Å; A367-M369 VanDerWaalsContact C-N 3.34Å; A367-M369 PolarHBondContact O-N 3.02Å; M369-G373 WeakPolarHBondContact O-CA 3.28Å; M369-G373 PolarHBondContact O-N 2.96Å; M369-M401 HydrophobicContact CB-CE 4.1Å; M369-M401 HydrophobicContact CG-CE 3.83Å; M369-P404 HydrophobicContact CE-CB 4.05Å; M369-P404 HydrophobicContact CE-CG 4.34Å; M369-P404 HydrophobicContact CG-CB 4.17Å; M369-P404 HydrophobicContact CG-CG 4.11Å; M369-T405 WeakPolarHBondContact CE-OG1 3.34Å; M369-K408 HydrophobicContact CE-CD 3.86Å; M369-K408 HydrophobicContact SD-CD 4.4Å |
| 370 | V | 97.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -50.2 | 174 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | F279 V282 L283 L337 M366 A367 S368 S374 | F279-V370 HydrophobicContact CB-CG2 3.56Å; F279-V370 HydrophobicContact CD1-CG2 3.74Å; F279-V370 HydrophobicContact CG-CG2 3.9Å; V282-V370 HydrophobicContact CG1-CG1 4.23Å; L283-V370 HydrophobicContact CD1-CG2 4Å; L283-V370 HydrophobicContact CD2-CB 4.27Å; L283-V370 HydrophobicContact CD2-CG1 3.83Å; L283-V370 HydrophobicContact CD2-CG2 4.43Å; L283-V370 HydrophobicContact CG-CB 4.29Å; L283-V370 HydrophobicContact CG-CG1 3.97Å; L283-V370 HydrophobicContact CG-CG2 3.92Å; L337-V370 HydrophobicContact CD1-CG2 4.48Å; M366-V370 WeakPolarHBondContact O-CG2 3.48Å; M366-V370 PolarHBondContact O-N 3.37Å; A367-V370 WeakPolarHBondContact O-CB 3.36Å; A367-V370 PolarHBondContact O-N 2.89Å; A367-V370 VanDerWaalsContact O-N 3.16Å; S368-V370 VanDerWaalsContact C-N 3.3Å; S368-V370 PolarHBondContact O-N 3.38Å; V370-S374 PolarHBondContact O-N 3.34Å; V370-S374 PolarHBondContact O-OG 2.97Å |
| 371 | C | 96 | Very high | 96.9 | Very high | 87 Ų | 87 | 24.8 Ų | 24.8 | 59% | 0.588 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -65.2 | -53.7 | -178.1 | -65 | 0 | 0 | 0 | 0 | 112 | A367 S368 S374 | A367-C371 PolarHBondContact O-N 3.1Å; A367-C371 VanDerWaalsContact O-N 3.08Å; A367-C371 PolarHBondContact O-SG 3.3Å; S368-C371 PolarHBondContact O-N 3.48Å; C371-S374 PolarHBondContact O-N 3.01Å |
| 372 | L | 95.2 | Very high | 97 | Very high | 25 Ų | 25 | 24.2 Ų | 24.2 | 13% | 0.131 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | -177.9 | -68.8 | 171.7 | 0 | 0 | 0 | 111.6 | S368 S374 V375 V376 I397 M400 M401 | S368-L372 VanDerWaalsContact O-CB 3.25Å; S368-L372 WeakPolarHBondContact O-CB 3.39Å; S368-L372 WeakPolarHBondContact O-CG 3.37Å; S368-L372 PolarHBondContact O-N 3.04Å; L372-S374 PolarHBondContact O-N 3.07Å; L372-S374 VanDerWaalsContact O-N 3.09Å; L372-V375 VanDerWaalsContact O-CG2 3.24Å; L372-V375 WeakPolarHBondContact O-CG2 3.24Å; L372-V375 PolarHBondContact O-N 3.47Å; L372-V376 WeakPolarHBondContact O-CG1 3.24Å; L372-V376 WeakPolarHBondContact O-CG2 3.12Å; L372-V376 PolarHBondContact O-N 3.3Å; L372-I397 HydrophobicContact CD2-CG2 3.83Å; L372-M400 HydrophobicContact CD1-CG 4.35Å; L372-M400 HydrophobicContact CD2-SD 4.26Å; L372-M401 HydrophobicContact CB-CE 4.32Å; L372-M401 HydrophobicContact CB-SD 3.16Å; L372-M401 WeakPolarHBondContact CB-SD 3.23Å; L372-M401 HydrophobicContact CD1-SD 3.73Å; L372-M401 HydrophobicContact CG-SD 4.07Å |
| 373 | G | 93.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.1 | -25 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P330 Y333 M369 V375 | P330-G373 WeakPolarHBondContact CD-O 3.43Å; P330-G373 WeakPolarHBondContact CG-O 3.47Å; Y333-G373 VanDerWaalsContact CE2-CA 3.49Å; M369-G373 WeakPolarHBondContact O-CA 3.28Å; M369-G373 PolarHBondContact O-N 2.96Å; G373-V375 VanDerWaalsContact C-N 3.34Å |
| 374 | S | 93.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 11% | 0.112 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -4.2 | 176.7 | -51.9 | 0 | 0 | 0 | 0 | 114 | L286 V370 C371 L372 W377 | L286-S374 VanDerWaalsContact CD2-OG 3.28Å; L286-S374 WeakPolarHBondContact CD2-OG 3.04Å; V370-S374 PolarHBondContact O-N 3.34Å; V370-S374 PolarHBondContact O-OG 2.97Å; C371-S374 PolarHBondContact O-N 3.01Å; L372-S374 PolarHBondContact O-N 3.07Å; L372-S374 VanDerWaalsContact O-N 3.09Å; S374-W377 VanDerWaalsContact O-CZ3 3.3Å; S374-W377 WeakPolarHBondContact O-CZ3 3.44Å |
| 375 | V | 95.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 29.6 Ų | 29.6 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -129.3 | 12.6 | -173.6 | -61.7 | 0 | 0 | 0 | 0 | 115 | L372 G373 I397 | L372-V375 VanDerWaalsContact O-CG2 3.24Å; L372-V375 WeakPolarHBondContact O-CG2 3.24Å; L372-V375 PolarHBondContact O-N 3.47Å; G373-V375 VanDerWaalsContact C-N 3.34Å; V375-I397 HydrophobicContact CG2-CG2 4.11Å |
| 376 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -117 | 2.2 | -174.6 | -67 | 0 | 0 | 0 | 0 | 114.5 | H329 L372 G378 H379 I397 | H329-V376 WeakPolarHBondContact CD2-CG2 3.19Å; H329-V376 WeakPolarHBondContact NE2-CG2 3.49Å; L372-V376 WeakPolarHBondContact O-CG1 3.24Å; L372-V376 WeakPolarHBondContact O-CG2 3.12Å; L372-V376 PolarHBondContact O-N 3.3Å; V376-G378 PolarHBondContact O-N 3.47Å; V376-H379 PolarHBondContact O-CE1 3.45Å; V376-H379 VanDerWaalsContact O-CE1 3.25Å; V376-H379 PolarHBondContact O-N 2.64Å; V376-H379 PolarHBondContact O-ND1 3.29Å; V376-I397 HydrophobicContact CG1-CB 4.05Å; V376-I397 HydrophobicContact CG1-CG2 3.42Å; V376-I397 VanDerWaalsContact CG1-CG2 3.42Å | ||
| 377 | W | 97.4 | Very high | 96 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -53.6 | -26.9 | -171.1 | 68.9 | 84.7 | 0 | 0 | 0 | 115 | H322 W325 F326 S374 H379 H380 F394 | H322-W377 AromaticContact CE1-NE1 3.99Å; H322-W377 AromaticContact ND1-CD1 3.85Å; H322-W377 AromaticContact ND1-NE1 3.25Å; H322-W377 PolarHBondContact ND1-NE1 3.46Å; W325-W377 VanDerWaalsContact C-CB 3.41Å; W325-W377 HydrophobicContact CB-CB 3.96Å; W325-W377 VanDerWaalsContact O-CB 3.25Å; W325-W377 WeakPolarHBondContact O-CB 2.97Å; F326-W377 HydrophobicContact CD2-CD2 4.21Å; F326-W377 AromaticContact CD2-CE3 3.71Å; F326-W377 HydrophobicContact CD2-CE3 3.71Å; F326-W377 AromaticContact CD2-CZ3 3.86Å; F326-W377 HydrophobicContact CD2-CZ3 3.86Å; F326-W377 HydrophobicContact CE2-CE3 4.3Å; F326-W377 HydrophobicContact CE2-CZ3 4.1Å; S374-W377 VanDerWaalsContact O-CZ3 3.3Å; S374-W377 WeakPolarHBondContact O-CZ3 3.44Å; W377-H379 PolarHBondContact O-N 3.3Å; W377-H380 PolarHBondContact O-N 3.12Å; W377-H380 VanDerWaalsContact O-N 3.16Å; W377-F394 HydrophobicContact CD2-CE1 4.4Å; W377-F394 HydrophobicContact CZ2-CE1 4.45Å; W377-F394 HydrophobicContact CZ2-CZ 4.05Å |
| 378 | G | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -61.3 | -22 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V376 H380 M381 F386 | V376-G378 PolarHBondContact O-N 3.47Å; G378-H380 PolarHBondContact O-N 3.29Å; G378-H380 VanDerWaalsContact O-N 3.17Å; G378-M381 WeakPolarHBondContact O-CA 3.38Å; G378-M381 WeakPolarHBondContact O-CB 2.92Å; G378-M381 PolarHBondContact O-N 2.86Å; G378-F386 WeakPolarHBondContact O-CE2 3.17Å |
| 379 | H | 97.5 | Very high | 95.8 | Very high | 21 Ų | 21 | 44 Ų | 44 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -63.2 | -22.3 | 175.6 | 61.6 | -119 | 0 | 0 | 0 | 113.5 | H329 V376 W377 M381 F382 T398 | H329-H379 AromaticContact CE1-CE1 3.17Å; H329-H379 PolarHBondContact CE1-CE1 3.39Å; H329-H379 AromaticContact CE1-NE2 3.44Å; H329-H379 PolarHBondContact CE1-NE2 3.4Å; H329-H379 AromaticContact CG-CE1 3.72Å; H329-H379 AromaticContact CG-NE2 3.82Å; H329-H379 AromaticContact ND1-CE1 3.06Å; H329-H379 PolarHBondContact ND1-CE1 3.25Å; H329-H379 AromaticContact ND1-NE2 2.96Å; H329-H379 PolarHBondContact ND1-NE2 3.38Å; H329-H379 AromaticContact NE2-CE1 3.81Å; V376-H379 PolarHBondContact O-CE1 3.45Å; V376-H379 VanDerWaalsContact O-CE1 3.25Å; V376-H379 PolarHBondContact O-N 2.64Å; V376-H379 PolarHBondContact O-ND1 3.29Å; W377-H379 PolarHBondContact O-N 3.3Å; H379-M381 PolarHBondContact O-N 3.48Å; H379-F382 HydrophobicContact CB-CD2 4.23Å; H379-F382 HydrophobicContact CB-CE1 4.4Å; H379-F382 HydrophobicContact CB-CE2 3.5Å; H379-F382 HydrophobicContact CB-CZ 3.61Å; H379-F382 WeakPolarHBondContact O-CD2 3.3Å; H379-T398 HydrophobicContact CB-CG2 4.34Å; H379-T398 WeakPolarHBondContact ND1-CG2 3.11Å; H379-T398 PolarHBondContact ND1-OG1 3.39Å |
| 380 | H | 97.7 | Very high | 95.7 | Very high | 46 Ų | 46 | 45.9 Ų | 45.9 | 21% | 0.213 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -77.7 | 0.1 | 174.8 | -65.1 | -69.2 | 0 | 0 | 0 | 113.3 | W325 H329 W377 G378 H458 | W325-H380 HydrophobicContact CB-CB 4.25Å; W325-H380 HydrophobicContact CD2-CB 3.36Å; W325-H380 AromaticContact CD2-CD2 3.65Å; W325-H380 AromaticContact CD2-CG 3.52Å; W325-H380 AromaticContact CE2-CG 3.85Å; W325-H380 HydrophobicContact CE3-CB 3.93Å; W325-H380 AromaticContact CE3-CD2 3.36Å; W325-H380 AromaticContact CE3-CG 3.52Å; W325-H380 AromaticContact CE3-ND1 3.95Å; W325-H380 AromaticContact CE3-NE2 3.68Å; W325-H380 HydrophobicContact CG-CB 3.51Å; W325-H380 HydrophobicContact CH2-CB 4.49Å; W325-H380 AromaticContact CH2-ND1 3.97Å; W325-H380 HydrophobicContact CZ2-CB 3.98Å; W325-H380 HydrophobicContact CZ3-CB 4.46Å; W325-H380 AromaticContact CZ3-CD2 3.96Å; W325-H380 AromaticContact CZ3-CE1 3.83Å; W325-H380 AromaticContact CZ3-CG 3.88Å; W325-H380 AromaticContact CZ3-ND1 3.81Å; W325-H380 AromaticContact CZ3-NE2 3.9Å; H329-H380 AromaticContact CG-NE2 3.89Å; H329-H380 AromaticContact ND1-NE2 3.38Å; H329-H380 PolarHBondContact ND1-NE2 3.29Å; W377-H380 PolarHBondContact O-N 3.12Å; W377-H380 VanDerWaalsContact O-N 3.16Å; G378-H380 PolarHBondContact O-N 3.29Å; G378-H380 VanDerWaalsContact O-N 3.17Å; H380-H458 PolarHBondContact O-CE1 2.71Å |
| 381 | M | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -129.1 | 18 | -170.5 | -58.7 | 175.5 | 60.1 | 0 | 0 | 111.4 | I318 Q321 H322 G378 H379 M383 V384 F386 | I318-M381 HydrophobicContact CG2-CE 3.77Å; Q321-M381 HydrophobicContact CB-CE 3.57Å; Q321-M381 HydrophobicContact CB-CG 4.24Å; Q321-M381 HydrophobicContact CB-SD 3.97Å; H322-M381 HydrophobicContact CB-CE 4.41Å; H322-M381 VanDerWaalsContact CD2-CE 3.48Å; H322-M381 WeakPolarHBondContact CD2-CE 3.44Å; H322-M381 WeakPolarHBondContact NE2-CE 2.96Å; G378-M381 WeakPolarHBondContact O-CA 3.38Å; G378-M381 WeakPolarHBondContact O-CB 2.92Å; G378-M381 PolarHBondContact O-N 2.86Å; H379-M381 PolarHBondContact O-N 3.48Å; M381-M383 PolarHBondContact O-N 2.9Å; M381-V384 HydrophobicContact CB-CG1 3.86Å; M381-V384 HydrophobicContact CB-CG2 4.16Å; M381-V384 HydrophobicContact CE-CG1 4.19Å; M381-V384 HydrophobicContact CE-CG2 4.3Å; M381-V384 WeakPolarHBondContact O-CG1 3.35Å; M381-V384 WeakPolarHBondContact O-CG2 3.39Å; M381-V384 PolarHBondContact O-N 2.98Å; M381-F386 HydrophobicContact CB-CE2 4.08Å; M381-F386 HydrophobicContact CB-CZ 3.93Å; M381-F386 HydrophobicContact CE-CZ 4.47Å |
| 382 | F | 97 | Very high | 95.6 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -58.2 | -26.7 | -175.9 | -73.8 | -43.1 | 0 | 0 | 0 | 113.7 | H379 F386 F394 S395 D454 | H379-F382 HydrophobicContact CB-CD2 4.23Å; H379-F382 HydrophobicContact CB-CE1 4.4Å; H379-F382 HydrophobicContact CB-CE2 3.5Å; H379-F382 HydrophobicContact CB-CZ 3.61Å; H379-F382 WeakPolarHBondContact O-CD2 3.3Å; F382-F386 HydrophobicContact CD1-CD2 4.34Å; F382-F394 HydrophobicContact CE1-CB 3.91Å; F382-F394 HydrophobicContact CZ-CB 4.31Å; F382-S395 WeakPolarHBondContact CZ-OG 3.43Å; F382-D454 HydrophobicContact CD2-CB 3.66Å; F382-D454 WeakPolarHBondContact CD2-OD2 3.43Å; F382-D454 HydrophobicContact CE2-CB 4.33Å |
| 383 | M | 95.2 | Very high | 95.7 | Very high | 105 Ų | 105 | 49.1 Ų | 49.1 | 52% | 0.517 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -86.1 | 4.1 | 177.6 | -64.6 | -59.2 | -73.7 | 0 | 0 | 115.2 | M381 G385 M455 H458 | M381-M383 PolarHBondContact O-N 2.9Å; M383-G385 PolarHBondContact O-N 3.37Å; M383-M455 HydrophobicContact SD-CB 4.29Å; M383-M455 HydrophobicContact SD-CG 4.09Å; M383-H458 HydrophobicContact CG-CB 3.5Å; M383-H458 VanDerWaalsContact CG-CB 3.5Å; M383-H458 WeakPolarHBondContact CG-CD2 3.4Å; M383-H458 HydrophobicContact SD-CB 4.5Å |
| 384 | V | 94.9 | Very high | 95.9 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -79.7 | -3.9 | 176.5 | -51.4 | 0 | 0 | 0 | 0 | 113.6 | I318 Q321 M381 F386 | I318-V384 HydrophobicContact CD1-CB 4.34Å; I318-V384 HydrophobicContact CG2-CB 4.21Å; I318-V384 HydrophobicContact CG2-CG1 4.39Å; I318-V384 HydrophobicContact CG2-CG2 4.19Å; Q321-V384 VanDerWaalsContact OE1-CG1 3.3Å; M381-V384 HydrophobicContact CB-CG1 3.86Å; M381-V384 HydrophobicContact CB-CG2 4.16Å; M381-V384 HydrophobicContact CE-CG1 4.19Å; M381-V384 HydrophobicContact CE-CG2 4.3Å; M381-V384 WeakPolarHBondContact O-CG1 3.35Å; M381-V384 WeakPolarHBondContact O-CG2 3.39Å; M381-V384 PolarHBondContact O-N 2.98Å; V384-F386 HydrophobicContact CG2-CD1 3.86Å; V384-F386 HydrophobicContact CG2-CE1 3.68Å; V384-F386 HydrophobicContact CG2-CG 4.38Å; V384-F386 HydrophobicContact CG2-CZ 4.08Å |
| 385 | G | 93.2 | Very high | 96.1 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | 41.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M383 | M383-G385 PolarHBondContact O-N 3.37Š|
| 386 | F | 92 | Very high | 96.1 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | trans | -58.4 | 146.9 | 170.1 | -72.5 | -29.6 | 0 | 0 | 0 | 112 | H322 G378 M381 F382 V384 T390 F394 | H322-F386 AromaticContact CE1-CE1 4Å; H322-F386 AromaticContact CE1-CZ 3.96Å; G378-F386 WeakPolarHBondContact O-CE2 3.17Å; M381-F386 HydrophobicContact CB-CE2 4.08Å; M381-F386 HydrophobicContact CB-CZ 3.93Å; M381-F386 HydrophobicContact CE-CZ 4.47Å; F382-F386 HydrophobicContact CD1-CD2 4.34Å; V384-F386 HydrophobicContact CG2-CD1 3.86Å; V384-F386 HydrophobicContact CG2-CE1 3.68Å; V384-F386 HydrophobicContact CG2-CG 4.38Å; V384-F386 HydrophobicContact CG2-CZ 4.08Å; F386-T390 HydrophobicContact CB-CG2 4.19Å; F386-T390 HydrophobicContact CD1-CG2 3.94Å; F386-T390 HydrophobicContact CD2-CG2 4.07Å; F386-T390 HydrophobicContact CE1-CG2 4.33Å; F386-T390 HydrophobicContact CE2-CG2 4.43Å; F386-T390 HydrophobicContact CG-CG2 3.82Å; F386-F394 HydrophobicContact CE2-CD2 4.06Å; F386-F394 HydrophobicContact CE2-CE2 4.33Å; F386-F394 HydrophobicContact CZ-CE2 4.41Å | ||
| 387 | D | 95.2 | Very high | 96.1 | Very high | 89 Ų | 89 | 51.1 Ų | 51.1 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | trans | -64.2 | 156.7 | 164.8 | 68.5 | -82.3 | 0 | 0 | 0 | 110.5 | L389 T390 G391 | D387-L389 VanDerWaalsContact C-N 3.25Å; D387-L389 PolarHBondContact O-N 2.96Å; D387-L389 WeakPolarHBondContact OD2-CB 3.45Å; D387-L389 PolarHBondContact OD2-N 3.23Å; D387-L389 VanDerWaalsContact OD2-N 3.12Å; D387-T390 VanDerWaalsContact CG-OG1 3.32Å; D387-T390 PolarHBondContact O-N 3.44Å; D387-T390 WeakPolarHBondContact OD1-CB 3.25Å; D387-T390 PolarHBondContact OD1-OG1 3.32Å; D387-T390 PolarHBondContact OD2-N 3.41Å; D387-T390 PolarHBondContact OD2-OG1 2.96Å; D387-G391 PolarHBondContact O-N 2.75Å | ||
| 388 | S | 93.5 | Very high | 96.1 | Very high | 106 Ų | 106 | 49.3 Ų | 49.3 | 74% | 0.741 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56.5 | -36.1 | -175.2 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | G391 V392 | S388-G391 PolarHBondContact O-N 3.25Å; S388-V392 WeakPolarHBondContact O-CB 3.16Å; S388-V392 VanDerWaalsContact O-CG2 3.26Å; S388-V392 WeakPolarHBondContact O-CG2 3.34Å; S388-V392 PolarHBondContact O-N 3.38Å |
| 389 | L | 96.6 | Very high | 96.1 | Very high | 127 Ų | 127 | 53.2 Ų | 53.2 | 67% | 0.665 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.7 | -46 | -178.8 | -173.9 | 157.2 | 0 | 0 | 0 | 110.4 | D387 G391 V392 F393 | D387-L389 VanDerWaalsContact C-N 3.25Å; D387-L389 PolarHBondContact O-N 2.96Å; D387-L389 WeakPolarHBondContact OD2-CB 3.45Å; D387-L389 PolarHBondContact OD2-N 3.23Å; D387-L389 VanDerWaalsContact OD2-N 3.12Å; L389-G391 VanDerWaalsContact C-N 3.32Å; L389-G391 PolarHBondContact O-N 3.13Å; L389-V392 PolarHBondContact O-N 2.92Å; L389-F393 WeakPolarHBondContact O-CB 3.47Å; L389-F393 PolarHBondContact O-N 3.3Å |
| 390 | T | 95.8 | Very high | 96 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 24% | 0.239 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 175 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | F386 D387 F393 F394 | F386-T390 HydrophobicContact CB-CG2 4.19Å; F386-T390 HydrophobicContact CD1-CG2 3.94Å; F386-T390 HydrophobicContact CD2-CG2 4.07Å; F386-T390 HydrophobicContact CE1-CG2 4.33Å; F386-T390 HydrophobicContact CE2-CG2 4.43Å; F386-T390 HydrophobicContact CG-CG2 3.82Å; D387-T390 VanDerWaalsContact CG-OG1 3.32Å; D387-T390 PolarHBondContact O-N 3.44Å; D387-T390 WeakPolarHBondContact OD1-CB 3.25Å; D387-T390 PolarHBondContact OD1-OG1 3.32Å; D387-T390 PolarHBondContact OD2-N 3.41Å; D387-T390 PolarHBondContact OD2-OG1 2.96Å; T390-F393 PolarHBondContact O-N 2.66Å; T390-F394 HydrophobicContact CG2-CD2 3.8Å; T390-F394 HydrophobicContact CG2-CE2 3.76Å; T390-F394 WeakPolarHBondContact O-CD2 3.21Å; T390-F394 PolarHBondContact O-N 2.78Å; T390-F394 VanDerWaalsContact O-N 3.07Å |
| 391 | G | 95.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D387 S388 L389 S395 | D387-G391 PolarHBondContact O-N 2.75Å; S388-G391 PolarHBondContact O-N 3.25Å; L389-G391 VanDerWaalsContact C-N 3.32Å; L389-G391 PolarHBondContact O-N 3.13Å; G391-S395 WeakPolarHBondContact O-CB 3.25Å; G391-S395 PolarHBondContact O-N 3.3Å; G391-S395 PolarHBondContact O-OG 3.23Å |
| 392 | V | 96 | Very high | 95.9 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 177.3 | 170 | 0 | 0 | 0 | 0 | 111.7 | S388 L389 S395 S396 | S388-V392 WeakPolarHBondContact O-CB 3.16Å; S388-V392 VanDerWaalsContact O-CG2 3.26Å; S388-V392 WeakPolarHBondContact O-CG2 3.34Å; S388-V392 PolarHBondContact O-N 3.38Å; L389-V392 PolarHBondContact O-N 2.92Å; V392-S395 PolarHBondContact O-N 3.1Å; V392-S396 WeakPolarHBondContact O-CB 3.22Å; V392-S396 PolarHBondContact O-N 3.38Å; V392-S396 PolarHBondContact O-OG 2.87Å |
| 393 | F | 96.7 | Very high | 95.8 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.8 | -55.2 | 176 | 170.4 | -95.3 | 0 | 0 | 0 | 111.4 | L389 T390 S395 S396 I397 | L389-F393 WeakPolarHBondContact O-CB 3.47Å; L389-F393 PolarHBondContact O-N 3.3Å; T390-F393 PolarHBondContact O-N 2.66Å; F393-S395 VanDerWaalsContact C-N 3.27Å; F393-S395 PolarHBondContact O-N 3.14Å; F393-S396 PolarHBondContact O-N 3.4Å; F393-I397 HydrophobicContact CD1-CD1 4.46Å; F393-I397 HydrophobicContact CD2-CD1 3.99Å; F393-I397 HydrophobicContact CE1-CD1 3.84Å; F393-I397 HydrophobicContact CE2-CD1 3.31Å; F393-I397 HydrophobicContact CE2-CG1 4.33Å; F393-I397 HydrophobicContact CZ-CD1 3.23Å; F393-I397 HydrophobicContact CZ-CG1 4.46Å; F393-I397 PolarHBondContact O-N 3.09Å; F393-I397 VanDerWaalsContact O-N 3.13Å |
| 394 | F | 97.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 179.4 | -80.7 | -65.4 | 0 | 0 | 0 | 112.1 | W377 F382 F386 T390 T398 | W377-F394 HydrophobicContact CD2-CE1 4.4Å; W377-F394 HydrophobicContact CZ2-CE1 4.45Å; W377-F394 HydrophobicContact CZ2-CZ 4.05Å; F382-F394 HydrophobicContact CE1-CB 3.91Å; F382-F394 HydrophobicContact CZ-CB 4.31Å; F386-F394 HydrophobicContact CE2-CD2 4.06Å; F386-F394 HydrophobicContact CE2-CE2 4.33Å; F386-F394 HydrophobicContact CZ-CE2 4.41Å; T390-F394 HydrophobicContact CG2-CD2 3.8Å; T390-F394 HydrophobicContact CG2-CE2 3.76Å; T390-F394 WeakPolarHBondContact O-CD2 3.21Å; T390-F394 PolarHBondContact O-N 2.78Å; T390-F394 VanDerWaalsContact O-N 3.07Å; F394-T398 WeakPolarHBondContact O-CB 3.16Å; F394-T398 PolarHBondContact O-N 3.34Å; F394-T398 VanDerWaalsContact O-N 3.1Å; F394-T398 PolarHBondContact O-OG1 3.21Å |
| 395 | S | 97.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 174 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | F382 G391 V392 F393 T398 M399 S449 S451 | F382-S395 WeakPolarHBondContact CZ-OG 3.43Å; G391-S395 WeakPolarHBondContact O-CB 3.25Å; G391-S395 PolarHBondContact O-N 3.3Å; G391-S395 PolarHBondContact O-OG 3.23Å; V392-S395 PolarHBondContact O-N 3.1Å; F393-S395 VanDerWaalsContact C-N 3.27Å; F393-S395 PolarHBondContact O-N 3.14Å; S395-T398 PolarHBondContact O-N 3.15Å; S395-M399 WeakPolarHBondContact O-CG 3.05Å; S395-M399 PolarHBondContact O-N 2.63Å; S395-S449 WeakPolarHBondContact CA-O 3.15Å; S395-S449 WeakPolarHBondContact CB-O 3.12Å; S395-S449 PolarHBondContact OG-O 3.09Å; S395-S451 VanDerWaalsContact OG-CB 3.29Å; S395-S451 WeakPolarHBondContact OG-CB 3.45Å; S395-S451 PolarHBondContact OG-N 3.17Å; S395-S451 VanDerWaalsContact OG-N 3.08Å; S395-S451 PolarHBondContact OG-OG 3.48Å |
| 396 | S | 96.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 43% | 0.434 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | -175.2 | -57.4 | 0 | 0 | 0 | 0 | 112.5 | V392 F393 M399 M400 | V392-S396 WeakPolarHBondContact O-CB 3.22Å; V392-S396 PolarHBondContact O-N 3.38Å; V392-S396 PolarHBondContact O-OG 2.87Å; F393-S396 PolarHBondContact O-N 3.4Å; S396-M399 PolarHBondContact O-N 3.3Å; S396-M400 PolarHBondContact O-N 2.98Å |
| 397 | I | 96.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 18% | 0.179 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71 | -36.3 | -180 | -58.6 | -176 | 0 | 0 | 0 | 110.8 | L372 V375 V376 F393 M399 M400 | L372-I397 HydrophobicContact CD2-CG2 3.83Å; V375-I397 HydrophobicContact CG2-CG2 4.11Å; V376-I397 HydrophobicContact CG1-CB 4.05Å; V376-I397 HydrophobicContact CG1-CG2 3.42Å; V376-I397 VanDerWaalsContact CG1-CG2 3.42Å; F393-I397 HydrophobicContact CD1-CD1 4.46Å; F393-I397 HydrophobicContact CD2-CD1 3.99Å; F393-I397 HydrophobicContact CE1-CD1 3.84Å; F393-I397 HydrophobicContact CE2-CD1 3.31Å; F393-I397 HydrophobicContact CE2-CG1 4.33Å; F393-I397 HydrophobicContact CZ-CD1 3.23Å; F393-I397 HydrophobicContact CZ-CG1 4.46Å; F393-I397 PolarHBondContact O-N 3.09Å; F393-I397 VanDerWaalsContact O-N 3.13Å; I397-M399 PolarHBondContact O-N 3.14Å; I397-M400 VanDerWaalsContact O-CB 3.3Å; I397-M400 WeakPolarHBondContact O-CB 3.36Å; I397-M400 PolarHBondContact O-N 2.82Å; I397-M400 VanDerWaalsContact O-N 3.14Å |
| 398 | T | 97.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 176 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | H379 F394 S395 M400 M401 S449 | H379-T398 HydrophobicContact CB-CG2 4.34Å; H379-T398 WeakPolarHBondContact ND1-CG2 3.11Å; H379-T398 PolarHBondContact ND1-OG1 3.39Å; F394-T398 WeakPolarHBondContact O-CB 3.16Å; F394-T398 PolarHBondContact O-N 3.34Å; F394-T398 VanDerWaalsContact O-N 3.1Å; F394-T398 PolarHBondContact O-OG1 3.21Å; S395-T398 PolarHBondContact O-N 3.15Å; T398-M400 PolarHBondContact O-N 3.33Å; T398-M401 VanDerWaalsContact O-CB 3.25Å; T398-M401 WeakPolarHBondContact O-CB 3.45Å; T398-M401 WeakPolarHBondContact O-CG 3.37Å; T398-M401 PolarHBondContact O-N 3.08Å; T398-M401 VanDerWaalsContact O-N 3.14Å; T398-S449 VanDerWaalsContact CG2-CB 3.44Å |
| 399 | M | 96.9 | Very high | 96.6 | Very high | 83 Ų | 83 | 46 Ų | 46 | 41% | 0.409 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.9 | -35.5 | 173.4 | -77.9 | -172.4 | -80.3 | 0 | 0 | 112.7 | S395 S396 I397 M401 G402 S449 | S395-M399 WeakPolarHBondContact O-CG 3.05Å; S395-M399 PolarHBondContact O-N 2.63Å; S396-M399 PolarHBondContact O-N 3.3Å; I397-M399 PolarHBondContact O-N 3.14Å; M399-M401 PolarHBondContact O-N 3.48Å; M399-M401 VanDerWaalsContact O-N 3.15Å; M399-G402 PolarHBondContact O-N 3.47Å; M399-S449 WeakPolarHBondContact CG-OG 3.42Å |
| 400 | M | 96.3 | Very high | 96.5 | Very high | 107 Ų | 107 | 47 Ų | 47 | 53% | 0.527 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -22.3 | 179.1 | -167.3 | 177.3 | 174.1 | 0 | 0 | 113.1 | L372 S396 I397 T398 G402 V403 P404 | L372-M400 HydrophobicContact CD1-CG 4.35Å; L372-M400 HydrophobicContact CD2-SD 4.26Å; S396-M400 PolarHBondContact O-N 2.98Å; I397-M400 VanDerWaalsContact O-CB 3.3Å; I397-M400 WeakPolarHBondContact O-CB 3.36Å; I397-M400 PolarHBondContact O-N 2.82Å; I397-M400 VanDerWaalsContact O-N 3.14Å; T398-M400 PolarHBondContact O-N 3.33Å; M400-G402 PolarHBondContact O-N 3.16Å; M400-G402 VanDerWaalsContact O-N 3.16Å; M400-V403 WeakPolarHBondContact O-CB 3.07Å; M400-V403 PolarHBondContact O-N 3.5Å; M400-P404 VanDerWaalsContact O-CD 3.26Å; M400-P404 WeakPolarHBondContact O-CD 3.48Å |
| 401 | M | 96.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.064 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.3 | 172.4 | -67.7 | -55.9 | -52.5 | 0 | 0 | 113.7 | Y333 M369 L372 T398 M399 V403 P404 T405 | Y333-M401 HydrophobicContact CD1-CE 4.49Å; Y333-M401 HydrophobicContact CE1-CE 3.52Å; Y333-M401 HydrophobicContact CE2-CE 3.96Å; Y333-M401 WeakPolarHBondContact OH-CE 3.44Å; Y333-M401 WeakPolarHBondContact OH-CG 3.38Å; M369-M401 HydrophobicContact CB-CE 4.1Å; M369-M401 HydrophobicContact CG-CE 3.83Å; L372-M401 HydrophobicContact CB-CE 4.32Å; L372-M401 HydrophobicContact CB-SD 3.16Å; L372-M401 WeakPolarHBondContact CB-SD 3.23Å; L372-M401 HydrophobicContact CD1-SD 3.73Å; L372-M401 HydrophobicContact CG-SD 4.07Å; T398-M401 VanDerWaalsContact O-CB 3.25Å; T398-M401 WeakPolarHBondContact O-CB 3.45Å; T398-M401 WeakPolarHBondContact O-CG 3.37Å; T398-M401 PolarHBondContact O-N 3.08Å; T398-M401 VanDerWaalsContact O-N 3.14Å; M399-M401 PolarHBondContact O-N 3.48Å; M399-M401 VanDerWaalsContact O-N 3.15Å; M401-V403 PolarHBondContact O-N 3.5Å; M401-P404 VanDerWaalsContact O-CD 3.32Å; M401-P404 WeakPolarHBondContact O-CD 3.36Å; M401-P404 WeakPolarHBondContact O-CG 3.46Å; M401-T405 PolarHBondContact O-OG1 2.99Å |
| 402 | G | 95.6 | Very high | 96.5 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -31.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M399 M400 G406 | M399-G402 PolarHBondContact O-N 3.47Å; M400-G402 PolarHBondContact O-N 3.16Å; M400-G402 VanDerWaalsContact O-N 3.16Å; G402-G406 PolarHBondContact O-N 2.92Å |
| 403 | V | 96.3 | Very high | 96.4 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 53% | 0.527 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.5 | -58.5 | -177.1 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | M400 M401 T405 G406 I407 | M400-V403 WeakPolarHBondContact O-CB 3.07Å; M400-V403 PolarHBondContact O-N 3.5Å; M401-V403 PolarHBondContact O-N 3.5Å; V403-T405 PolarHBondContact O-N 3.32Å; V403-G406 PolarHBondContact O-N 3.19Å; V403-I407 HydrophobicContact CG1-CD1 4.26Å; V403-I407 WeakPolarHBondContact O-CG1 3.19Å; V403-I407 PolarHBondContact O-N 2.96Å |
| 404 | P | 97.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.032 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -30.5 | 179.5 | 26.2 | -35.4 | 0 | 0 | 0 | 112.7 | A365 S368 M369 M400 M401 K408 | A365-P404 HydrophobicContact CB-CB 3.92Å; S368-P404 WeakPolarHBondContact OG-CB 3.24Å; M369-P404 HydrophobicContact CE-CB 4.05Å; M369-P404 HydrophobicContact CE-CG 4.34Å; M369-P404 HydrophobicContact CG-CB 4.17Å; M369-P404 HydrophobicContact CG-CG 4.11Å; M400-P404 VanDerWaalsContact O-CD 3.26Å; M400-P404 WeakPolarHBondContact O-CD 3.48Å; M401-P404 VanDerWaalsContact O-CD 3.32Å; M401-P404 WeakPolarHBondContact O-CD 3.36Å; M401-P404 WeakPolarHBondContact O-CG 3.46Å; P404-K408 WeakPolarHBondContact O-CG 3.13Å; P404-K408 PolarHBondContact O-N 3.25Å |
| 405 | T | 95.2 | Very high | 96.1 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -47.8 | 173.6 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | M369 M401 V403 I407 K408 V409 F438 | M369-T405 WeakPolarHBondContact CE-OG1 3.34Å; M401-T405 PolarHBondContact O-OG1 2.99Å; V403-T405 PolarHBondContact O-N 3.32Å; T405-I407 PolarHBondContact O-N 3.17Å; T405-K408 PolarHBondContact O-N 2.9Å; T405-K408 VanDerWaalsContact O-N 3.15Å; T405-V409 PolarHBondContact O-N 3.38Å; T405-F438 HydrophobicContact CG2-CD1 4.38Å; T405-F438 HydrophobicContact CG2-CE1 3.62Å |
| 406 | G | 96 | Very high | 95.7 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G402 V403 K408 V409 F410 | G402-G406 PolarHBondContact O-N 2.92Å; V403-G406 PolarHBondContact O-N 3.19Å; G406-K408 PolarHBondContact O-N 3.44Å; G406-V409 PolarHBondContact O-N 2.88Å; G406-F410 WeakPolarHBondContact O-CD2 3.22Å; G406-F410 PolarHBondContact O-N 2.83Å |
| 407 | I | 97.6 | Very high | 95.3 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -52.1 | -43.1 | 175.6 | -69 | 169.3 | 0 | 0 | 0 | 110.8 | A365 V403 T405 S411 | A365-I407 HydrophobicContact CB-CG2 4.39Å; V403-I407 HydrophobicContact CG1-CD1 4.26Å; V403-I407 WeakPolarHBondContact O-CG1 3.19Å; V403-I407 PolarHBondContact O-N 2.96Å; T405-I407 PolarHBondContact O-N 3.17Å; I407-S411 WeakPolarHBondContact O-CB 3.48Å; I407-S411 PolarHBondContact O-N 2.92Å; I407-S411 VanDerWaalsContact O-N 3.11Å; I407-S411 PolarHBondContact O-OG 3.06Å |
| 408 | K | 97.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.1 | -47.7 | -179.4 | -63.2 | -180 | 70.3 | 69 | 0 | 112.2 | F340 L362 A365 M369 P404 T405 G406 F410 S411 W412 | F340-K408 VanDerWaalsContact CB-CE 3.43Å; F340-K408 HydrophobicContact CD2-CD 3.92Å; F340-K408 HydrophobicContact CE2-CD 4.25Å; F340-K408 HydrophobicContact CG-CD 4.46Å; L362-K408 HydrophobicContact CD2-CB 4.1Å; L362-K408 HydrophobicContact CD2-CG 3.75Å; A365-K408 HydrophobicContact CB-CD 4.14Å; A365-K408 HydrophobicContact CB-CG 3.9Å; M369-K408 HydrophobicContact CE-CD 3.86Å; M369-K408 HydrophobicContact SD-CD 4.4Å; P404-K408 WeakPolarHBondContact O-CG 3.13Å; P404-K408 PolarHBondContact O-N 3.25Å; T405-K408 PolarHBondContact O-N 2.9Å; T405-K408 VanDerWaalsContact O-N 3.15Å; G406-K408 PolarHBondContact O-N 3.44Å; K408-F410 PolarHBondContact O-N 3.41Å; K408-S411 PolarHBondContact O-N 3.38Å; K408-W412 HydrophobicContact CB-CH2 3.87Å; K408-W412 HydrophobicContact CB-CZ2 3.84Å; K408-W412 HydrophobicContact CB-CZ3 4.32Å; K408-W412 VanDerWaalsContact O-CD2 3.22Å; K408-W412 VanDerWaalsContact O-CG 3.27Å; K408-W412 PolarHBondContact O-N 3.07Å |
| 409 | V | 96.4 | Very high | 92.5 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 178.9 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | T405 G406 S411 W412 L413 | T405-V409 PolarHBondContact O-N 3.38Å; G406-V409 PolarHBondContact O-N 2.88Å; V409-S411 VanDerWaalsContact C-N 3.33Å; V409-S411 PolarHBondContact O-N 2.67Å; V409-W412 HydrophobicContact CG2-CE3 4.25Å; V409-W412 HydrophobicContact CG2-CZ3 3.99Å; V409-W412 PolarHBondContact O-N 2.97Å; V409-L413 HydrophobicContact CG1-CD1 4.07Å; V409-L413 HydrophobicContact CG1-CG 4.48Å; V409-L413 WeakPolarHBondContact O-CG 3.5Å; V409-L413 PolarHBondContact O-N 3.24Å |
| 410 | F | 96.4 | Very high | 91.2 | Very high | 148 Ų | 148 | 51.7 Ų | 51.7 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.8 | -35.9 | 177.9 | -72 | -61.2 | 0 | 0 | 0 | 112.9 | G406 K408 L413 Y414 | G406-F410 WeakPolarHBondContact O-CD2 3.22Å; G406-F410 PolarHBondContact O-N 2.83Å; K408-F410 PolarHBondContact O-N 3.41Å; F410-L413 HydrophobicContact CD1-CD1 4.36Å; F410-L413 PolarHBondContact O-N 3.23Å; F410-Y414 WeakPolarHBondContact O-CB 3.31Å; F410-Y414 PolarHBondContact O-N 3Å |
| 411 | S | 96 | Very high | 90 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 175.7 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | I407 K408 V409 Y414 M415 | I407-S411 WeakPolarHBondContact O-CB 3.48Å; I407-S411 PolarHBondContact O-N 2.92Å; I407-S411 VanDerWaalsContact O-N 3.11Å; I407-S411 PolarHBondContact O-OG 3.06Å; K408-S411 PolarHBondContact O-N 3.38Å; V409-S411 VanDerWaalsContact C-N 3.33Å; V409-S411 PolarHBondContact O-N 2.67Å; S411-Y414 PolarHBondContact O-N 3.47Å; S411-M415 WeakPolarHBondContact O-CG 3.45Å; S411-M415 PolarHBondContact O-N 3.08Å; S411-M415 VanDerWaalsContact O-N 3.1Å |
| 412 | W | 95.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 175 | -59.2 | -34.4 | 0 | 0 | 0 | 111.9 | F340 V343 S344 K408 V409 Y414 M415 L416 F434 M435 | F340-W412 HydrophobicContact CB-CH2 4.37Å; F340-W412 HydrophobicContact CB-CZ2 4.11Å; F340-W412 AromaticContact CD1-CH2 3.39Å; F340-W412 HydrophobicContact CD1-CH2 3.39Å; F340-W412 AromaticContact CD1-CZ2 3.99Å; F340-W412 HydrophobicContact CD1-CZ2 3.99Å; F340-W412 HydrophobicContact CD1-CZ3 4.42Å; F340-W412 AromaticContact CE1-CH2 3.69Å; F340-W412 HydrophobicContact CE1-CH2 3.69Å; F340-W412 HydrophobicContact CE1-CZ3 4.41Å; F340-W412 AromaticContact CG-CH2 3.94Å; F340-W412 HydrophobicContact CG-CH2 3.94Å; F340-W412 HydrophobicContact CG-CZ2 4.17Å; F340-W412 HydrophobicContact CZ-CH2 4.49Å; V343-W412 HydrophobicContact CB-CZ2 4.22Å; V343-W412 HydrophobicContact CG1-CD2 3.56Å; V343-W412 HydrophobicContact CG1-CE3 3.92Å; V343-W412 HydrophobicContact CG1-CG 3.91Å; V343-W412 HydrophobicContact CG1-CH2 4.41Å; V343-W412 HydrophobicContact CG1-CZ2 4.04Å; V343-W412 HydrophobicContact CG1-CZ3 4.35Å; S344-W412 PolarHBondContact OG-NE1 3.08Å; K408-W412 HydrophobicContact CB-CH2 3.87Å; K408-W412 HydrophobicContact CB-CZ2 3.84Å; K408-W412 HydrophobicContact CB-CZ3 4.32Å; K408-W412 VanDerWaalsContact O-CD2 3.22Å; K408-W412 VanDerWaalsContact O-CG 3.27Å; K408-W412 PolarHBondContact O-N 3.07Å; V409-W412 HydrophobicContact CG2-CE3 4.25Å; V409-W412 HydrophobicContact CG2-CZ3 3.99Å; V409-W412 PolarHBondContact O-N 2.97Å; W412-Y414 VanDerWaalsContact C-N 3.28Å; W412-Y414 PolarHBondContact O-N 2.87Å; W412-M415 PolarHBondContact O-N 3.44Å; W412-L416 WeakPolarHBondContact O-CG 3.24Å; W412-L416 PolarHBondContact O-N 3.1Å; W412-F434 HydrophobicContact CE3-CE1 4.33Å; W412-F434 HydrophobicContact CH2-CE1 4.08Å; W412-F434 AromaticContact CZ3-CE1 3.69Å; W412-F434 HydrophobicContact CZ3-CE1 3.69Å; W412-F434 HydrophobicContact CZ3-CZ 4.48Å; W412-M435 HydrophobicContact CB-SD 3.72Å; W412-M435 HydrophobicContact CE3-CG 4.1Å; W412-M435 HydrophobicContact CE3-SD 4.45Å |
| 413 | L | 94 | Very high | 88.8 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 41% | 0.414 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58 | -41.4 | 176 | -71.2 | 172.6 | 0 | 0 | 0 | 111.8 | V409 F410 L416 N417 M435 | V409-L413 HydrophobicContact CG1-CD1 4.07Å; V409-L413 HydrophobicContact CG1-CG 4.48Å; V409-L413 WeakPolarHBondContact O-CG 3.5Å; V409-L413 PolarHBondContact O-N 3.24Å; F410-L413 HydrophobicContact CD1-CD1 4.36Å; F410-L413 PolarHBondContact O-N 3.23Å; L413-L416 PolarHBondContact O-N 2.82Å; L413-N417 WeakPolarHBondContact O-CB 3.31Å; L413-N417 PolarHBondContact O-N 2.59Å; L413-M435 HydrophobicContact CD2-CE 3.92Å; L413-M435 HydrophobicContact CD2-SD 3.87Å; L413-M435 HydrophobicContact CG-SD 4.11Å |
| 414 | Y | 93.4 | Very high | 88.5 | Confident | 124 Ų | 124 | 61.4 Ų | 61.4 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.6 | -179 | -91.8 | 0 | 0 | 0 | 112.7 | F357 F410 S411 W412 L416 N417 S418 | F357-Y414 HydrophobicContact CB-CD1 3.78Å; F357-Y414 HydrophobicContact CB-CE1 4.28Å; F357-Y414 AromaticContact CD1-CD1 3.72Å; F357-Y414 HydrophobicContact CD1-CD1 3.72Å; F357-Y414 HydrophobicContact CD1-CE1 4.44Å; F357-Y414 HydrophobicContact CD1-CG 4.1Å; F357-Y414 AromaticContact CD2-CD1 3.35Å; F357-Y414 HydrophobicContact CD2-CD1 3.35Å; F357-Y414 AromaticContact CD2-CE1 3.24Å; F357-Y414 HydrophobicContact CD2-CE1 3.24Å; F357-Y414 HydrophobicContact CD2-CG 4.3Å; F357-Y414 HydrophobicContact CE1-CD1 4.09Å; F357-Y414 HydrophobicContact CE1-CG 4.16Å; F357-Y414 AromaticContact CE2-CD1 3.76Å; F357-Y414 HydrophobicContact CE2-CD1 3.76Å; F357-Y414 AromaticContact CE2-CE1 3.54Å; F357-Y414 HydrophobicContact CE2-CE1 3.54Å; F357-Y414 HydrophobicContact CE2-CG 4.36Å; F357-Y414 AromaticContact CE2-CZ 3.97Å; F357-Y414 AromaticContact CG-CD1 3.31Å; F357-Y414 HydrophobicContact CG-CD1 3.31Å; F357-Y414 AromaticContact CG-CE1 3.74Å; F357-Y414 HydrophobicContact CG-CE1 3.74Å; F357-Y414 HydrophobicContact CG-CG 4.15Å; F357-Y414 HydrophobicContact CZ-CD1 4.1Å; F357-Y414 HydrophobicContact CZ-CE1 4.26Å; F357-Y414 HydrophobicContact CZ-CG 4.28Å; F410-Y414 WeakPolarHBondContact O-CB 3.31Å; F410-Y414 PolarHBondContact O-N 3Å; S411-Y414 PolarHBondContact O-N 3.47Å; W412-Y414 VanDerWaalsContact C-N 3.28Å; W412-Y414 PolarHBondContact O-N 2.87Å; Y414-L416 VanDerWaalsContact C-N 3.27Å; Y414-L416 PolarHBondContact O-N 2.98Å; Y414-N417 PolarHBondContact O-N 3.12Å; Y414-S418 PolarHBondContact O-N 3.17Å; Y414-S418 PolarHBondContact O-OG 3.42Å |
| 415 | M | 93.2 | Very high | 88.3 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 176.5 | -74.3 | -171.5 | -72.1 | 0 | 0 | 111.9 | C347 M348 S351 F357 S411 W412 C419 | C347-M415 HydrophobicContact CB-CB 4.12Å; C347-M415 HydrophobicContact CB-CE 3.63Å; C347-M415 HydrophobicContact CB-SD 4.26Å; M348-M415 HydrophobicContact CB-SD 4.19Å; S351-M415 WeakPolarHBondContact CB-O 3.31Å; F357-M415 HydrophobicContact CB-CG 3.64Å; F357-M415 HydrophobicContact CB-SD 4.3Å; F357-M415 PolarHBondContact N-SD 3.35Å; F357-M415 VanDerWaalsContact N-SD 3.41Å; S411-M415 WeakPolarHBondContact O-CG 3.45Å; S411-M415 PolarHBondContact O-N 3.08Å; S411-M415 VanDerWaalsContact O-N 3.1Å; W412-M415 PolarHBondContact O-N 3.44Å; M415-C419 PolarHBondContact O-SG 3.46Å; M415-C419 VanDerWaalsContact O-SG 3.35Å |
| 416 | L | 90.3 | Very high | 88.2 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -75.3 | -37.2 | 179.2 | -65.6 | 173.8 | 0 | 0 | 0 | 112.7 | C347 L350 W412 L413 Y414 S418 M421 L431 M435 | C347-L416 HydrophobicContact CB-CD2 4.35Å; L350-L416 HydrophobicContact CD1-CD2 4.37Å; W412-L416 WeakPolarHBondContact O-CG 3.24Å; W412-L416 PolarHBondContact O-N 3.1Å; L413-L416 PolarHBondContact O-N 2.82Å; Y414-L416 VanDerWaalsContact C-N 3.27Å; Y414-L416 PolarHBondContact O-N 2.98Å; L416-S418 VanDerWaalsContact C-N 3.27Å; L416-S418 PolarHBondContact O-N 3.01Å; L416-M421 HydrophobicContact CB-CE 4.28Å; L416-M421 HydrophobicContact CB-SD 3.79Å; L416-M421 HydrophobicContact CD2-CE 3.73Å; L416-M421 HydrophobicContact CD2-SD 4.19Å; L416-M421 HydrophobicContact CG-CE 4.42Å; L416-L431 HydrophobicContact CD2-CD1 4.19Å; L416-M435 HydrophobicContact CD1-CE 3.34Å; L416-M435 HydrophobicContact CD1-SD 4.13Å |
| 417 | N | 87.1 | Confident | 88.2 | Confident | 139 Ų | 139 | 61.5 Ų | 61.5 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.6 | -34.9 | 179.1 | -174 | -68.7 | 0 | 0 | 0 | 112.6 | L413 Y414 C419 | L413-N417 WeakPolarHBondContact O-CB 3.31Å; L413-N417 PolarHBondContact O-N 2.59Å; Y414-N417 PolarHBondContact O-N 3.12Å; N417-C419 PolarHBondContact O-N 2.7Å |
| 418 | S | 72.3 | Confident | 88 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 7.7 | -171.8 | -58.7 | 0 | 0 | 0 | 0 | 114.7 | Y414 L416 | Y414-S418 PolarHBondContact O-N 3.17Å; Y414-S418 PolarHBondContact O-OG 3.42Å; L416-S418 VanDerWaalsContact C-N 3.27Å; L416-S418 PolarHBondContact O-N 3.01Å |
| 419 | C | 64.2 | Low | 87.9 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 22% | 0.216 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -138.2 | 148.3 | -158.9 | -59 | 0 | 0 | 0 | 0 | 114.4 | S351 M415 N417 M421 | S351-C419 WeakPolarHBondContact CA-SG 3.47Å; S351-C419 WeakPolarHBondContact CB-SG 3.38Å; S351-C419 PolarHBondContact O-SG 3.43Å; M415-C419 PolarHBondContact O-SG 3.46Å; M415-C419 VanDerWaalsContact O-SG 3.35Å; N417-C419 PolarHBondContact O-N 2.7Å; C419-M421 HydrophobicContact CB-CG 4.33Å; C419-M421 PolarHBondContact O-N 2.93Å |
| 420 | G | 69.4 | Low | 87.9 | Confident | 88 Ų | 88 | 60.7 Ų | 60.7 | 91% | 0.907 | 32% | 0.322 | S | S | * | . | trans | -72.3 | 66.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | R422 | G420-R422 PolarHBondContact O-N 3.37Š| ||
| 421 | M | 70.8 | Confident | 87.9 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | trans | -60.8 | 133 | -176.3 | -64.3 | -177.7 | 68.2 | 0 | 0 | 110.8 | L416 C419 V423 V428 | L416-M421 HydrophobicContact CB-CE 4.28Å; L416-M421 HydrophobicContact CB-SD 3.79Å; L416-M421 HydrophobicContact CD2-CE 3.73Å; L416-M421 HydrophobicContact CD2-SD 4.19Å; L416-M421 HydrophobicContact CG-CE 4.42Å; C419-M421 HydrophobicContact CB-CG 4.33Å; C419-M421 PolarHBondContact O-N 2.93Å; M421-V423 VanDerWaalsContact C-N 3.3Å; M421-V423 PolarHBondContact O-N 3.06Å; M421-V428 HydrophobicContact CE-CB 3.92Å; M421-V428 HydrophobicContact CE-CG1 3.31Å; M421-V428 HydrophobicContact CE-CG2 3.44Å; M421-V428 VanDerWaalsContact CE-CG2 3.44Å | ||
| 422 | R | 81.7 | Confident | 87.8 | Confident | 174 Ų | 174 | 56.9 Ų | 56.9 | 66% | 0.657 | 31% | 0.311 | S | S | * | . | trans | -72.9 | 88.9 | 167.3 | -66.4 | -179.4 | -177.1 | 172.9 | 2.6 | 107.9 | G420 L424 D425 | G420-R422 PolarHBondContact O-N 3.37Å; R422-L424 PolarHBondContact O-N 3.43Å; R422-D425 HydrophobicContact CB-CB 4.12Å; R422-D425 WeakPolarHBondContact O-CB 3.37Å; R422-D425 PolarHBondContact O-N 3.47Å | ||
| 423 | V | 84.7 | Confident | 87.8 | Confident | 105 Ų | 105 | 57.1 Ų | 57.1 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.8 | -175.9 | 179.8 | 0 | 0 | 0 | 0 | 113 | M421 D425 W429 | M421-V423 VanDerWaalsContact C-N 3.3Å; M421-V423 PolarHBondContact O-N 3.06Å; V423-D425 VanDerWaalsContact C-N 3.32Å; V423-W429 PolarHBondContact O-NE1 3.42Å |
| 424 | L | 90.1 | Very high | 87.9 | Confident | 115 Ų | 115 | 53.4 Ų | 53.4 | 60% | 0.602 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -6.4 | 177.8 | -62.3 | 177.3 | 0 | 0 | 0 | 114 | R422 K497 Q501 | R422-L424 PolarHBondContact O-N 3.43Å; L424-K497 WeakPolarHBondContact O-CE 3.5Å; L424-K497 PolarHBondContact O-NZ 3.03Å; L424-Q501 PolarHBondContact O-NE2 2.76Å |
| 425 | D | 92.2 | Very high | 88 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | trans | -70 | 120.8 | 177.7 | -167.8 | -24.6 | 0 | 0 | 0 | 110 | R422 V423 M427 V428 | R422-D425 HydrophobicContact CB-CB 4.12Å; R422-D425 WeakPolarHBondContact O-CB 3.37Å; R422-D425 PolarHBondContact O-N 3.47Å; V423-D425 VanDerWaalsContact C-N 3.32Å; D425-M427 PolarHBondContact O-N 3.22Å; D425-M427 VanDerWaalsContact O-N 3.07Å; D425-M427 PolarHBondContact OD1-N 3.36Å; D425-V428 HydrophobicContact CB-CG2 4.18Å; D425-V428 WeakPolarHBondContact O-CB 3.2Å; D425-V428 PolarHBondContact O-N 2.9Å | ||
| 426 | P | 95 | Very high | 88 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.4 | -27 | 178.1 | 23 | -35.2 | 0 | 0 | 0 | 112.8 | V428 W429 W430 K497 L500 Q501 | P426-V428 VanDerWaalsContact C-N 3.33Å; P426-V428 PolarHBondContact O-N 2.96Å; P426-W429 WeakPolarHBondContact O-CB 3.21Å; P426-W429 PolarHBondContact O-N 3.46Å; P426-W430 VanDerWaalsContact O-CD1 3.24Å; P426-W430 PolarHBondContact O-N 3.24Å; P426-K497 HydrophobicContact CG-CG 4.11Å; P426-L500 HydrophobicContact CB-CB 3.73Å; P426-L500 HydrophobicContact CG-CB 3.83Å; P426-L500 HydrophobicContact CG-CD1 4.01Å; P426-Q501 HydrophobicContact CB-CG 4.24Å |
| 427 | M | 94.8 | Very high | 88.3 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 177.1 | -102.5 | -61 | -167.7 | 0 | 0 | 113.7 | I346 D425 W429 W430 L431 M481 V484 W485 | I346-M427 HydrophobicContact CD1-CE 3.83Å; I346-M427 HydrophobicContact CD1-SD 4.31Å; D425-M427 PolarHBondContact O-N 3.22Å; D425-M427 VanDerWaalsContact O-N 3.07Å; D425-M427 PolarHBondContact OD1-N 3.36Å; M427-W429 VanDerWaalsContact C-N 3.25Å; M427-W429 PolarHBondContact O-N 2.71Å; M427-W430 PolarHBondContact O-N 3.3Å; M427-L431 WeakPolarHBondContact O-CG 3.44Å; M427-L431 PolarHBondContact O-N 2.85Å; M427-M481 VanDerWaalsContact CE-C 3.5Å; M427-M481 VanDerWaalsContact CE-CA 3.49Å; M427-M481 HydrophobicContact CE-CB 3.83Å; M427-M481 HydrophobicContact CE-CG 4.28Å; M427-M481 WeakPolarHBondContact CE-O 3.46Å; M427-M481 HydrophobicContact SD-CB 4.18Å; M427-M481 HydrophobicContact SD-CG 4.01Å; M427-V484 HydrophobicContact CE-CB 3.9Å; M427-V484 HydrophobicContact CE-CG1 3.94Å; M427-V484 HydrophobicContact CG-CG1 4.13Å; M427-W485 HydrophobicContact CE-CB 3.46Å; M427-W485 VanDerWaalsContact CE-CB 3.46Å; M427-W485 HydrophobicContact CE-CE3 4.09Å; M427-W485 HydrophobicContact CE-CG 4.36Å; M427-W485 VanDerWaalsContact CE-N 3.32Å; M427-W485 HydrophobicContact CG-CE3 4.09Å |
| 428 | V | 94 | Very high | 88.7 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 173.8 | 167 | 0 | 0 | 0 | 0 | 110.4 | L350 M421 D425 P426 L431 V432 | L350-V428 HydrophobicContact CD1-CG2 4.32Å; M421-V428 HydrophobicContact CE-CB 3.92Å; M421-V428 HydrophobicContact CE-CG1 3.31Å; M421-V428 HydrophobicContact CE-CG2 3.44Å; M421-V428 VanDerWaalsContact CE-CG2 3.44Å; D425-V428 HydrophobicContact CB-CG2 4.18Å; D425-V428 WeakPolarHBondContact O-CB 3.2Å; D425-V428 PolarHBondContact O-N 2.9Å; P426-V428 VanDerWaalsContact C-N 3.33Å; P426-V428 PolarHBondContact O-N 2.96Å; V428-L431 PolarHBondContact O-N 3.3Å; V428-V432 HydrophobicContact CG1-CG2 4.44Å; V428-V432 WeakPolarHBondContact O-CG2 3.42Å; V428-V432 PolarHBondContact O-N 3.46Å |
| 429 | W | 95.3 | Very high | 89.8 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 22% | 0.223 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 179.2 | -63.5 | 10.7 | 0 | 0 | 0 | 111.1 | V423 P426 M427 V432 G433 Q501 W504 L505 | V423-W429 PolarHBondContact O-NE1 3.42Å; P426-W429 WeakPolarHBondContact O-CB 3.21Å; P426-W429 PolarHBondContact O-N 3.46Å; M427-W429 VanDerWaalsContact C-N 3.25Å; M427-W429 PolarHBondContact O-N 2.71Å; W429-V432 PolarHBondContact O-N 3.41Å; W429-G433 PolarHBondContact O-N 3.14Å; W429-Q501 HydrophobicContact CE3-CB 4.29Å; W429-Q501 HydrophobicContact CE3-CG 4.18Å; W429-Q501 HydrophobicContact CH2-CB 4.05Å; W429-Q501 HydrophobicContact CH2-CG 3.87Å; W429-Q501 HydrophobicContact CZ2-CG 4.38Å; W429-Q501 HydrophobicContact CZ3-CB 3.64Å; W429-Q501 HydrophobicContact CZ3-CG 3.75Å; W429-W504 HydrophobicContact CB-CD2 3.86Å; W429-W504 HydrophobicContact CB-CG 3.92Å; W429-W504 HydrophobicContact CB-CZ2 4.27Å; W429-W504 HydrophobicContact CD2-CD2 4.44Å; W429-W504 HydrophobicContact CD2-CE3 4.34Å; W429-W504 HydrophobicContact CE3-CB 4.27Å; W429-W504 AromaticContact CE3-CD2 3.79Å; W429-W504 HydrophobicContact CE3-CD2 3.79Å; W429-W504 AromaticContact CE3-CE3 3.48Å; W429-W504 HydrophobicContact CE3-CE3 3.48Å; W429-W504 VanDerWaalsContact CE3-CE3 3.48Å; W429-W504 HydrophobicContact CE3-CG 4.13Å; W429-W504 HydrophobicContact CE3-CZ3 4.09Å; W429-W504 HydrophobicContact CZ3-CE3 4.02Å; W429-W504 PolarHBondContact O-NE1 3.01Å; W429-L505 HydrophobicContact CZ3-CG 4.46Å |
| 430 | W | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.6 | -81.2 | 101.6 | 0 | 0 | 0 | 112.6 | P426 M427 G433 F434 V480 M481 H503 W504 S507 M508 | P426-W430 VanDerWaalsContact O-CD1 3.24Å; P426-W430 PolarHBondContact O-N 3.24Å; M427-W430 PolarHBondContact O-N 3.3Å; W430-G433 PolarHBondContact O-N 2.92Å; W430-F434 WeakPolarHBondContact O-CB 3.32Å; W430-F434 PolarHBondContact O-N 3.09Å; W430-V480 HydrophobicContact CD2-CG1 4.12Å; W430-V480 HydrophobicContact CE3-CG1 4.37Å; W430-V480 HydrophobicContact CH2-CB 4.35Å; W430-V480 HydrophobicContact CH2-CG1 4Å; W430-V480 HydrophobicContact CH2-CG2 4.37Å; W430-V480 HydrophobicContact CZ2-CG1 3.75Å; W430-V480 HydrophobicContact CZ3-CB 4.32Å; W430-V480 HydrophobicContact CZ3-CG1 4.31Å; W430-M481 HydrophobicContact CB-CG 3.54Å; W430-M481 HydrophobicContact CB-SD 3.87Å; W430-M481 HydrophobicContact CG-CG 4.23Å; W430-H503 AromaticContact CH2-CE1 3.94Å; W430-H503 AromaticContact CZ2-CE1 3.55Å; W430-H503 AromaticContact CZ2-ND1 3.42Å; W430-H503 WeakPolarHBondContact CZ2-ND1 3.42Å; W430-W504 AromaticContact CD1-CD1 3.88Å; W430-W504 AromaticContact CD2-CD1 3.7Å; W430-W504 AromaticContact CE2-CD1 3.75Å; W430-W504 AromaticContact CG-CD1 3.77Å; W430-W504 HydrophobicContact CZ2-CB 4.21Å; W430-W504 AromaticContact NE1-CD1 3.85Å; W430-S507 WeakPolarHBondContact CH2-OG 3.38Å; W430-M508 HydrophobicContact CE3-CE 3.9Å; W430-M508 HydrophobicContact CZ3-CE 3.85Å |
| 431 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -47.5 | 176.2 | -71.8 | 168 | 0 | 0 | 0 | 112.2 | V343 I346 L350 L416 M427 V428 F434 M435 M481 | V343-L431 HydrophobicContact CB-CD2 4.49Å; V343-L431 HydrophobicContact CG1-CD2 3.94Å; V343-L431 HydrophobicContact CG2-CD2 4.38Å; I346-L431 HydrophobicContact CB-CD2 4.47Å; I346-L431 HydrophobicContact CG2-CD1 3.81Å; I346-L431 HydrophobicContact CG2-CD2 4.29Å; I346-L431 HydrophobicContact CG2-CG 4.43Å; L350-L431 HydrophobicContact CD1-CD1 3.51Å; L416-L431 HydrophobicContact CD2-CD1 4.19Å; M427-L431 WeakPolarHBondContact O-CG 3.44Å; M427-L431 PolarHBondContact O-N 2.85Å; V428-L431 PolarHBondContact O-N 3.3Å; L431-F434 PolarHBondContact O-N 3.13Å; L431-M435 WeakPolarHBondContact O-CE 3.41Å; L431-M435 WeakPolarHBondContact O-CG 3.26Å; L431-M435 PolarHBondContact O-N 3.31Å; L431-M481 HydrophobicContact CD2-SD 3.72Å; L431-M481 HydrophobicContact CG-SD 4.05Å |
| 432 | V | 93.9 | Very high | 93.7 | Very high | 77 Ų | 77 | 42.4 Ų | 42.4 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65 | -45.3 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | V428 W429 F434 M435 F436 | V428-V432 HydrophobicContact CG1-CG2 4.44Å; V428-V432 WeakPolarHBondContact O-CG2 3.42Å; V428-V432 PolarHBondContact O-N 3.46Å; W429-V432 PolarHBondContact O-N 3.41Å; V432-F434 PolarHBondContact O-N 2.99Å; V432-M435 HydrophobicContact CG2-CE 4.32Å; V432-M435 PolarHBondContact O-N 3.38Å; V432-F436 WeakPolarHBondContact O-CB 3.09Å; V432-F436 PolarHBondContact O-N 3Å |
| 433 | G | 95.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W429 W430 F436 L437 | W429-G433 PolarHBondContact O-N 3.14Å; W430-G433 PolarHBondContact O-N 2.92Å; G433-F436 PolarHBondContact O-N 3.46Å; G433-L437 WeakPolarHBondContact O-CB 3.48Å; G433-L437 WeakPolarHBondContact O-CG 3.48Å; G433-L437 PolarHBondContact O-N 3.38Å |
| 434 | F | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.7 | -54.7 | 173.7 | 169.1 | -93.9 | 0 | 0 | 0 | 111.2 | I336 F340 V343 W412 W430 L431 V432 F436 L437 F438 G474 M481 | I336-F434 HydrophobicContact CD1-CE2 4.18Å; I336-F434 HydrophobicContact CD1-CZ 4.46Å; F340-F434 AromaticContact CD1-CZ 3.96Å; F340-F434 HydrophobicContact CD1-CZ 3.96Å; F340-F434 AromaticContact CE1-CZ 3.88Å; F340-F434 HydrophobicContact CE1-CZ 3.88Å; V343-F434 HydrophobicContact CB-CE1 4.42Å; V343-F434 HydrophobicContact CG1-CD1 4.36Å; V343-F434 HydrophobicContact CG1-CE1 4.2Å; V343-F434 HydrophobicContact CG2-CD1 3.97Å; V343-F434 HydrophobicContact CG2-CE1 3.78Å; V343-F434 HydrophobicContact CG2-CZ 4.15Å; W412-F434 HydrophobicContact CE3-CE1 4.33Å; W412-F434 HydrophobicContact CH2-CE1 4.08Å; W412-F434 AromaticContact CZ3-CE1 3.69Å; W412-F434 HydrophobicContact CZ3-CE1 3.69Å; W412-F434 HydrophobicContact CZ3-CZ 4.48Å; W430-F434 WeakPolarHBondContact O-CB 3.32Å; W430-F434 PolarHBondContact O-N 3.09Å; L431-F434 PolarHBondContact O-N 3.13Å; V432-F434 PolarHBondContact O-N 2.99Å; F434-F436 VanDerWaalsContact C-N 3.3Å; F434-F436 PolarHBondContact O-N 2.67Å; F434-L437 PolarHBondContact O-N 3.24Å; F434-F438 HydrophobicContact CE2-CD2 4.43Å; F434-F438 HydrophobicContact CZ-CG 4.34Å; F434-F438 WeakPolarHBondContact O-CB 3.27Å; F434-F438 PolarHBondContact O-N 3.43Å; F434-G474 WeakPolarHBondContact CE2-O 3.5Å; F434-M481 HydrophobicContact CB-CE 3.81Å; F434-M481 HydrophobicContact CD1-CE 4.4Å; F434-M481 HydrophobicContact CD2-CE 3.97Å; F434-M481 HydrophobicContact CG-CE 3.8Å |
| 435 | M | 95.7 | Very high | 95.2 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -41.2 | -177.7 | -70.5 | -177.4 | -66.1 | 0 | 0 | 111.8 | W412 L413 L416 L431 V432 T439 | W412-M435 HydrophobicContact CB-SD 3.72Å; W412-M435 HydrophobicContact CE3-CG 4.1Å; W412-M435 HydrophobicContact CE3-SD 4.45Å; L413-M435 HydrophobicContact CD2-CE 3.92Å; L413-M435 HydrophobicContact CD2-SD 3.87Å; L413-M435 HydrophobicContact CG-SD 4.11Å; L416-M435 HydrophobicContact CD1-CE 3.34Å; L416-M435 HydrophobicContact CD1-SD 4.13Å; L431-M435 WeakPolarHBondContact O-CE 3.41Å; L431-M435 WeakPolarHBondContact O-CG 3.26Å; L431-M435 PolarHBondContact O-N 3.31Å; V432-M435 HydrophobicContact CG2-CE 4.32Å; V432-M435 PolarHBondContact O-N 3.38Å; M435-T439 VanDerWaalsContact O-CB 3.26Å; M435-T439 WeakPolarHBondContact O-CB 3.48Å; M435-T439 PolarHBondContact O-N 3.39Å; M435-T439 VanDerWaalsContact O-N 3.09Å; M435-T439 PolarHBondContact O-OG1 2.96Å |
| 436 | F | 94.4 | Very high | 95.4 | Very high | 131 Ų | 131 | 31.2 Ų | 31.2 | 58% | 0.575 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -65.3 | -55.6 | 178.9 | 175.7 | -105.2 | 0 | 0 | 0 | 111.7 | V432 G433 F434 T439 V440 | V432-F436 WeakPolarHBondContact O-CB 3.09Å; V432-F436 PolarHBondContact O-N 3Å; G433-F436 PolarHBondContact O-N 3.46Å; F434-F436 VanDerWaalsContact C-N 3.3Å; F434-F436 PolarHBondContact O-N 2.67Å; F436-T439 WeakPolarHBondContact O-CB 3.32Å; F436-T439 PolarHBondContact O-N 2.89Å; F436-T439 VanDerWaalsContact O-N 3.16Å; F436-V440 HydrophobicContact CE1-CG2 4.27Å; F436-V440 HydrophobicContact CE2-CG2 4.38Å; F436-V440 HydrophobicContact CZ-CG2 4.13Å; F436-V440 WeakPolarHBondContact O-CG2 3.49Å; F436-V440 PolarHBondContact O-N 2.91Å |
| 437 | L | 94.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.7 | -37.1 | -174.4 | -63.2 | 174.2 | 0 | 0 | 0 | 112.3 | G433 F434 T439 V440 G441 Y469 L473 M508 N512 | G433-L437 WeakPolarHBondContact O-CB 3.48Å; G433-L437 WeakPolarHBondContact O-CG 3.48Å; G433-L437 PolarHBondContact O-N 3.38Å; F434-L437 PolarHBondContact O-N 3.24Å; L437-T439 VanDerWaalsContact C-N 3.26Å; L437-T439 PolarHBondContact O-N 3.4Å; L437-V440 PolarHBondContact O-N 3.48Å; L437-G441 PolarHBondContact O-N 2.89Å; L437-Y469 HydrophobicContact CB-CD1 4.37Å; L437-Y469 HydrophobicContact CD2-CD1 4.47Å; L437-Y469 HydrophobicContact CD2-CE1 3.79Å; L437-L473 HydrophobicContact CB-CB 3.93Å; L437-L473 HydrophobicContact CB-CD1 4.1Å; L437-L473 HydrophobicContact CB-CG 4.43Å; L437-L473 HydrophobicContact CD1-CB 4.3Å; L437-L473 HydrophobicContact CD1-CD1 3.91Å; L437-L473 HydrophobicContact CD1-CD2 3.48Å; L437-L473 VanDerWaalsContact CD1-CD2 3.48Å; L437-L473 HydrophobicContact CD1-CG 4.09Å; L437-L473 HydrophobicContact CD2-CD1 4.32Å; L437-L473 HydrophobicContact CG-CD1 4.33Å; L437-M508 HydrophobicContact CD1-CE 4.45Å; L437-M508 HydrophobicContact CD1-SD 3.4Å; L437-M508 WeakPolarHBondContact CD1-SD 3.09Å; L437-N512 WeakPolarHBondContact CD2-ND2 3.36Å; L437-N512 WeakPolarHBondContact CD2-OD1 3.19Å |
| 438 | F | 95.7 | Very high | 95.6 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 172.3 | -169.1 | -98.4 | 0 | 0 | 0 | 111.5 | I336 F340 T405 F434 G441 G442 V470 | I336-F438 HydrophobicContact CD1-CD2 4.29Å; I336-F438 HydrophobicContact CD1-CE2 3.83Å; I336-F438 HydrophobicContact CG1-CE2 3.79Å; I336-F438 HydrophobicContact CG1-CZ 4.1Å; F340-F438 HydrophobicContact CE1-CD1 4.31Å; F340-F438 AromaticContact CE1-CE1 3.76Å; F340-F438 HydrophobicContact CE1-CE1 3.76Å; F340-F438 HydrophobicContact CE1-CE2 4.23Å; F340-F438 AromaticContact CE1-CZ 3.73Å; F340-F438 HydrophobicContact CE1-CZ 3.73Å; F340-F438 HydrophobicContact CZ-CD1 4.47Å; F340-F438 AromaticContact CZ-CE1 3.51Å; F340-F438 HydrophobicContact CZ-CE1 3.51Å; F340-F438 HydrophobicContact CZ-CE2 4.23Å; F340-F438 AromaticContact CZ-CZ 3.38Å; F340-F438 HydrophobicContact CZ-CZ 3.38Å; T405-F438 HydrophobicContact CG2-CD1 4.38Å; T405-F438 HydrophobicContact CG2-CE1 3.62Å; F434-F438 HydrophobicContact CE2-CD2 4.43Å; F434-F438 HydrophobicContact CZ-CG 4.34Å; F434-F438 WeakPolarHBondContact O-CB 3.27Å; F434-F438 PolarHBondContact O-N 3.43Å; F438-G441 PolarHBondContact O-N 3.14Å; F438-G442 PolarHBondContact O-N 3.13Å; F438-V470 HydrophobicContact CE2-CG1 4.04Å |
| 439 | T | 95.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 32.3 Ų | 32.3 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 174 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | M435 F436 L437 G441 G442 V443 | M435-T439 VanDerWaalsContact O-CB 3.26Å; M435-T439 WeakPolarHBondContact O-CB 3.48Å; M435-T439 PolarHBondContact O-N 3.39Å; M435-T439 VanDerWaalsContact O-N 3.09Å; M435-T439 PolarHBondContact O-OG1 2.96Å; F436-T439 WeakPolarHBondContact O-CB 3.32Å; F436-T439 PolarHBondContact O-N 2.89Å; F436-T439 VanDerWaalsContact O-N 3.16Å; L437-T439 VanDerWaalsContact C-N 3.26Å; L437-T439 PolarHBondContact O-N 3.4Å; T439-G441 VanDerWaalsContact C-N 3.32Å; T439-G441 PolarHBondContact O-N 2.96Å; T439-G442 WeakPolarHBondContact O-CA 3.34Å; T439-G442 PolarHBondContact O-N 3.44Å; T439-G442 VanDerWaalsContact O-N 3.09Å; T439-V443 WeakPolarHBondContact O-CG2 3.3Å; T439-V443 PolarHBondContact O-N 3.03Å |
| 440 | V | 95.7 | Very high | 95.8 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 173.3 | 174.2 | 0 | 0 | 0 | 0 | 111 | F436 L437 G442 V443 T444 Y469 | F436-V440 HydrophobicContact CE1-CG2 4.27Å; F436-V440 HydrophobicContact CE2-CG2 4.38Å; F436-V440 HydrophobicContact CZ-CG2 4.13Å; F436-V440 WeakPolarHBondContact O-CG2 3.49Å; F436-V440 PolarHBondContact O-N 2.91Å; L437-V440 PolarHBondContact O-N 3.48Å; V440-G442 VanDerWaalsContact C-N 3.32Å; V440-G442 PolarHBondContact O-N 2.93Å; V440-V443 PolarHBondContact O-N 2.88Å; V440-T444 WeakPolarHBondContact O-CG2 3.36Å; V440-T444 PolarHBondContact O-N 3.08Å; V440-T444 VanDerWaalsContact O-N 3.09Å; V440-T444 PolarHBondContact O-OG1 3.45Å; V440-Y469 HydrophobicContact CB-CD1 4.08Å; V440-Y469 HydrophobicContact CB-CE1 4.16Å; V440-Y469 HydrophobicContact CG1-CD1 3.88Å; V440-Y469 HydrophobicContact CG1-CE1 3.75Å |
| 441 | G | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L437 F438 T439 T444 G445 H466 | L437-G441 PolarHBondContact O-N 2.89Å; F438-G441 PolarHBondContact O-N 3.14Å; T439-G441 VanDerWaalsContact C-N 3.32Å; T439-G441 PolarHBondContact O-N 2.96Å; G441-T444 WeakPolarHBondContact CA-OG1 3.36Å; G441-T444 PolarHBondContact O-N 2.87Å; G441-T444 PolarHBondContact O-OG1 3.2Å; G441-G445 PolarHBondContact O-N 2.75Å; G441-H466 PolarHBondContact O-CE1 3.22Å; G441-H466 PolarHBondContact O-ND1 2.91Å |
| 442 | G | 95 | Very high | 95.7 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F438 T439 V440 G445 V446 | F438-G442 PolarHBondContact O-N 3.13Å; T439-G442 WeakPolarHBondContact O-CA 3.34Å; T439-G442 PolarHBondContact O-N 3.44Å; T439-G442 VanDerWaalsContact O-N 3.09Å; V440-G442 VanDerWaalsContact C-N 3.32Å; V440-G442 PolarHBondContact O-N 2.93Å; G442-G445 WeakPolarHBondContact O-CA 3.35Å; G442-G445 PolarHBondContact O-N 2.93Å; G442-G445 VanDerWaalsContact O-N 3.14Å; G442-V446 PolarHBondContact O-N 3.25Å |
| 443 | V | 95.7 | Very high | 95.8 | Very high | 97 Ų | 97 | 35.5 Ų | 35.5 | 59% | 0.588 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.3 | -43 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | T439 V440 G445 V446 A447 | T439-V443 WeakPolarHBondContact O-CG2 3.3Å; T439-V443 PolarHBondContact O-N 3.03Å; V440-V443 PolarHBondContact O-N 2.88Å; V443-G445 VanDerWaalsContact C-N 3.26Å; V443-G445 PolarHBondContact O-N 3.26Å; V443-V446 WeakPolarHBondContact O-CB 3.47Å; V443-V446 PolarHBondContact O-N 3.37Å; V443-V446 VanDerWaalsContact O-N 3.14Å; V443-A447 PolarHBondContact O-N 2.99Å |
| 444 | T | 96.7 | Very high | 95.9 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67 | -29.7 | 175.4 | 55.1 | 0 | 0 | 0 | 0 | 112 | V440 G441 V446 A447 L448 F462 H466 H519 | V440-T444 WeakPolarHBondContact O-CG2 3.36Å; V440-T444 PolarHBondContact O-N 3.08Å; V440-T444 VanDerWaalsContact O-N 3.09Å; V440-T444 PolarHBondContact O-OG1 3.45Å; G441-T444 WeakPolarHBondContact CA-OG1 3.36Å; G441-T444 PolarHBondContact O-N 2.87Å; G441-T444 PolarHBondContact O-OG1 3.2Å; T444-V446 VanDerWaalsContact C-N 3.34Å; T444-A447 WeakPolarHBondContact O-CB 3.37Å; T444-A447 PolarHBondContact O-N 3.36Å; T444-L448 PolarHBondContact O-N 2.64Å; T444-L448 VanDerWaalsContact O-N 3.09Å; T444-F462 HydrophobicContact CG2-CZ 4.28Å; T444-H466 PolarHBondContact OG1-ND1 2.73Å; T444-H519 WeakPolarHBondContact CG2-NE2 3.28Å |
| 445 | G | 96.5 | Very high | 95.8 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G441 G442 V443 A447 L448 S449 H466 | G441-G445 PolarHBondContact O-N 2.75Å; G442-G445 WeakPolarHBondContact O-CA 3.35Å; G442-G445 PolarHBondContact O-N 2.93Å; G442-G445 VanDerWaalsContact O-N 3.14Å; V443-G445 VanDerWaalsContact C-N 3.26Å; V443-G445 PolarHBondContact O-N 3.26Å; G445-A447 VanDerWaalsContact C-N 3.32Å; G445-L448 PolarHBondContact O-N 3.1Å; G445-S449 WeakPolarHBondContact O-CB 3.46Å; G445-S449 PolarHBondContact O-N 2.86Å; G445-H466 WeakPolarHBondContact CA-CE1 3.42Å; G445-H466 PolarHBondContact N-CE1 3.44Å; G445-H466 PolarHBondContact N-ND1 2.91Å |
| 446 | V | 96.1 | Very high | 95.8 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 172.3 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | G442 V443 T444 S449 A450 | G442-V446 PolarHBondContact O-N 3.25Å; V443-V446 WeakPolarHBondContact O-CB 3.47Å; V443-V446 PolarHBondContact O-N 3.37Å; V443-V446 VanDerWaalsContact O-N 3.14Å; T444-V446 VanDerWaalsContact C-N 3.34Å; V446-S449 WeakPolarHBondContact CA-OG 3.28Å; V446-S449 PolarHBondContact O-N 3.47Å; V446-S449 PolarHBondContact O-OG 3.41Å; V446-A450 PolarHBondContact O-N 3.27Å |
| 447 | A | 96.7 | Very high | 95.9 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | V443 T444 G445 S449 A450 L453 F457 F462 | V443-A447 PolarHBondContact O-N 2.99Å; T444-A447 WeakPolarHBondContact O-CB 3.37Å; T444-A447 PolarHBondContact O-N 3.36Å; G445-A447 VanDerWaalsContact C-N 3.32Å; A447-S449 VanDerWaalsContact C-N 3.28Å; A447-S449 PolarHBondContact O-N 2.92Å; A447-A450 PolarHBondContact O-N 3.01Å; A447-L453 HydrophobicContact CB-CD1 4.48Å; A447-F457 HydrophobicContact CB-CE2 4.34Å; A447-F462 HydrophobicContact CB-CZ 4.31Å |
| 448 | L | 97.6 | Very high | 96.1 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.8 | -25.8 | 176.8 | -70.5 | 172.3 | 0 | 0 | 0 | 113.5 | T444 G445 A450 D454 F457 F462 V463 H466 | T444-L448 PolarHBondContact O-N 2.64Å; T444-L448 VanDerWaalsContact O-N 3.09Å; G445-L448 PolarHBondContact O-N 3.1Å; L448-A450 PolarHBondContact O-N 2.7Å; L448-D454 VanDerWaalsContact CD2-OD1 3.22Å; L448-D454 WeakPolarHBondContact CD2-OD1 3.24Å; L448-F457 HydrophobicContact CD2-CB 3.71Å; L448-F457 HydrophobicContact CD2-CD2 4.28Å; L448-F457 HydrophobicContact CD2-CG 4.49Å; L448-F462 HydrophobicContact CD1-CD1 4.11Å; L448-F462 HydrophobicContact CD1-CE1 4.2Å; L448-F462 HydrophobicContact CD2-CD1 3.71Å; L448-F462 HydrophobicContact CD2-CE1 4.05Å; L448-F462 HydrophobicContact CG-CD1 3.9Å; L448-F462 HydrophobicContact CG-CE1 3.82Å; L448-V463 HydrophobicContact CD1-CG2 4.26Å; L448-V463 HydrophobicContact CD2-CG2 3.77Å; L448-H466 HydrophobicContact CD1-CB 3.6Å; L448-H466 VanDerWaalsContact CD1-CD2 3.44Å; L448-H466 WeakPolarHBondContact CD1-CD2 3.5Å; L448-H466 VanDerWaalsContact CD1-CG 3.44Å |
| 449 | S | 97.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.2 | -20.5 | 175.9 | 73.2 | 0 | 0 | 0 | 0 | 113 | S395 T398 M399 G445 V446 A447 S451 | S395-S449 WeakPolarHBondContact CA-O 3.15Å; S395-S449 WeakPolarHBondContact CB-O 3.12Å; S395-S449 PolarHBondContact OG-O 3.09Å; T398-S449 VanDerWaalsContact CG2-CB 3.44Å; M399-S449 WeakPolarHBondContact CG-OG 3.42Å; G445-S449 WeakPolarHBondContact O-CB 3.46Å; G445-S449 PolarHBondContact O-N 2.86Å; V446-S449 WeakPolarHBondContact CA-OG 3.28Å; V446-S449 PolarHBondContact O-N 3.47Å; V446-S449 PolarHBondContact O-OG 3.41Å; A447-S449 VanDerWaalsContact C-N 3.28Å; A447-S449 PolarHBondContact O-N 2.92Å; S449-S451 PolarHBondContact O-N 3.16Å |
| 450 | A | 96.6 | Very high | 96.2 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 21% | 0.207 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -83 | 107.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V446 A447 L448 A452 L453 D454 | V446-A450 PolarHBondContact O-N 3.27Å; A447-A450 PolarHBondContact O-N 3.01Å; L448-A450 PolarHBondContact O-N 2.7Å; A450-A452 PolarHBondContact O-N 3.19Å; A450-L453 HydrophobicContact CB-CB 4.27Å; A450-L453 HydrophobicContact CB-CD1 4.21Å; A450-L453 HydrophobicContact CB-CG 4.3Å; A450-L453 PolarHBondContact O-N 3.23Å; A450-D454 PolarHBondContact O-N 2.76Å |
| 451 | S | 95.4 | Very high | 96.3 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -51.8 | -34 | -179 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | S395 S449 M455 | S395-S451 VanDerWaalsContact OG-CB 3.29Å; S395-S451 WeakPolarHBondContact OG-CB 3.45Å; S395-S451 PolarHBondContact OG-N 3.17Å; S395-S451 VanDerWaalsContact OG-N 3.08Å; S395-S451 PolarHBondContact OG-OG 3.48Å; S449-S451 PolarHBondContact O-N 3.16Å; S451-M455 WeakPolarHBondContact O-CG 3.47Å; S451-M455 PolarHBondContact O-N 3.26Å |
| 452 | A | 94.1 | Very high | 96.4 | Very high | 67 Ų | 67 | 42 Ų | 42 | 55% | 0.554 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.9 | -36.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A450 M455 | A450-A452 PolarHBondContact O-N 3.19Å; A452-M455 HydrophobicContact CB-CE 4.5Å; A452-M455 WeakPolarHBondContact O-CE 3.29Å |
| 453 | L | 95.9 | Very high | 96.5 | Very high | 77 Ų | 77 | 41.6 Ų | 41.6 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -81.9 | -36.9 | 175.8 | -69.1 | 177.6 | 0 | 0 | 0 | 111 | A447 A450 M455 L456 F457 | A447-L453 HydrophobicContact CB-CD1 4.48Å; A450-L453 HydrophobicContact CB-CB 4.27Å; A450-L453 HydrophobicContact CB-CD1 4.21Å; A450-L453 HydrophobicContact CB-CG 4.3Å; A450-L453 PolarHBondContact O-N 3.23Å; L453-M455 PolarHBondContact O-N 2.83Å; L453-L456 WeakPolarHBondContact O-CB 3.17Å; L453-L456 PolarHBondContact O-N 2.92Å; L453-F457 HydrophobicContact CB-CD2 4.27Å; L453-F457 HydrophobicContact CB-CE2 3.97Å; L453-F457 PolarHBondContact O-N 2.99Å |
| 454 | D | 96.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -27.7 | -180 | -163.4 | 58.7 | 0 | 0 | 0 | 111.6 | F382 L448 A450 L456 F457 H458 | F382-D454 HydrophobicContact CD2-CB 3.66Å; F382-D454 WeakPolarHBondContact CD2-OD2 3.43Å; F382-D454 HydrophobicContact CE2-CB 4.33Å; L448-D454 VanDerWaalsContact CD2-OD1 3.22Å; L448-D454 WeakPolarHBondContact CD2-OD1 3.24Å; A450-D454 PolarHBondContact O-N 2.76Å; D454-L456 PolarHBondContact O-N 3.28Å; D454-F457 CarbonylContact O-C 3.24Å; D454-F457 PolarHBondContact O-N 3.45Å; D454-H458 WeakPolarHBondContact O-CA 3.38Å; D454-H458 WeakPolarHBondContact O-CB 3.37Å; D454-H458 PolarHBondContact O-N 3.39Å; D454-H458 IonicContact OD2-CE1 2.9Å; D454-H458 IonicContact OD2-CG 3.82Å; D454-H458 IonicContact OD2-ND1 2.76Å; D454-H458 PolarHBondContact OD2-ND1 3.28Å |
| 455 | M | 94 | Very high | 96.6 | Very high | 122 Ų | 122 | 37.9 Ų | 37.9 | 60% | 0.601 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -51.7 | -30 | 170.1 | -70.8 | -170.1 | -72.1 | 0 | 0 | 114.3 | M383 S451 A452 L453 | M383-M455 HydrophobicContact SD-CB 4.29Å; M383-M455 HydrophobicContact SD-CG 4.09Å; S451-M455 WeakPolarHBondContact O-CG 3.47Å; S451-M455 PolarHBondContact O-N 3.26Å; A452-M455 HydrophobicContact CB-CE 4.5Å; A452-M455 WeakPolarHBondContact O-CE 3.29Å; L453-M455 PolarHBondContact O-N 2.83Å |
| 456 | L | 95.7 | Very high | 96.6 | Very high | 117 Ų | 117 | 38.8 Ų | 38.8 | 61% | 0.613 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -90.3 | -30.6 | 176.7 | -60.1 | 173.7 | 0 | 0 | 0 | 112.5 | L453 D454 | L453-L456 WeakPolarHBondContact O-CB 3.17Å; L453-L456 PolarHBondContact O-N 2.92Å; D454-L456 PolarHBondContact O-N 3.28Å |
| 457 | F | 97.5 | Very high | 96.6 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -98.1 | -15.7 | -172.8 | -56 | -26.7 | 0 | 0 | 0 | 113.5 | A447 L448 L453 D454 D459 T460 F462 V463 M523 | A447-F457 HydrophobicContact CB-CE2 4.34Å; L448-F457 HydrophobicContact CD2-CB 3.71Å; L448-F457 HydrophobicContact CD2-CD2 4.28Å; L448-F457 HydrophobicContact CD2-CG 4.49Å; L453-F457 HydrophobicContact CB-CD2 4.27Å; L453-F457 HydrophobicContact CB-CE2 3.97Å; L453-F457 PolarHBondContact O-N 2.99Å; D454-F457 CarbonylContact O-C 3.24Å; D454-F457 PolarHBondContact O-N 3.45Å; F457-D459 PolarHBondContact O-N 2.9Å; F457-T460 WeakPolarHBondContact O-CB 3.3Å; F457-T460 WeakPolarHBondContact O-CG2 3.41Å; F457-T460 PolarHBondContact O-N 2.75Å; F457-T460 PolarHBondContact O-OG1 3.48Å; F457-F462 HydrophobicContact CB-CB 4.13Å; F457-F462 HydrophobicContact CB-CD1 4.21Å; F457-F462 HydrophobicContact CB-CG 4.18Å; F457-F462 HydrophobicContact CD1-CD2 4.3Å; F457-F462 HydrophobicContact CD1-CG 4.36Å; F457-F462 HydrophobicContact CD2-CD1 4.22Å; F457-F462 HydrophobicContact CD2-CE1 4.19Å; F457-F462 HydrophobicContact CD2-CE2 4.49Å; F457-F462 HydrophobicContact CD2-CG 4.39Å; F457-F462 HydrophobicContact CD2-CZ 4.32Å; F457-F462 HydrophobicContact CE2-CE2 4.35Å; F457-F462 HydrophobicContact CE2-CZ 4.28Å; F457-F462 HydrophobicContact CG-CB 4.4Å; F457-F462 HydrophobicContact CG-CD1 4.23Å; F457-F462 HydrophobicContact CG-CD2 4.33Å; F457-F462 HydrophobicContact CG-CG 4.06Å; F457-F462 HydrophobicContact CZ-CE2 4.45Å; F457-V463 WeakPolarHBondContact O-CG2 3.42Å; F457-M523 HydrophobicContact CD1-CG 4.41Å; F457-M523 HydrophobicContact CE1-CB 4.34Å; F457-M523 HydrophobicContact CE1-CG 3.72Å; F457-M523 HydrophobicContact CZ-CG 4.23Å |
| 458 | H | 97.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 134.9 | -174.4 | -158.7 | 82.4 | 0 | 0 | 0 | 110.5 | H380 M383 D454 T460 | H380-H458 PolarHBondContact O-CE1 2.71Å; M383-H458 HydrophobicContact CG-CB 3.5Å; M383-H458 VanDerWaalsContact CG-CB 3.5Å; M383-H458 WeakPolarHBondContact CG-CD2 3.4Å; M383-H458 HydrophobicContact SD-CB 4.5Å; D454-H458 WeakPolarHBondContact O-CA 3.38Å; D454-H458 WeakPolarHBondContact O-CB 3.37Å; D454-H458 PolarHBondContact O-N 3.39Å; D454-H458 IonicContact OD2-CE1 2.9Å; D454-H458 IonicContact OD2-CG 3.82Å; D454-H458 IonicContact OD2-ND1 2.76Å; D454-H458 PolarHBondContact OD2-ND1 3.28Å; H458-T460 WeakPolarHBondContact O-CG2 3.28Å; H458-T460 PolarHBondContact O-N 3.14Å |
| 459 | D | 96.1 | Very high | 96.5 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 34% | 0.342 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 16.1 | -178.7 | -75.9 | -45.5 | 0 | 0 | 0 | 115.6 | F457 R528 | F457-D459 PolarHBondContact O-N 2.9Å; D459-R528 WeakPolarHBondContact O-CG 3.16Å; D459-R528 PolarHBondContact O-N 2.62Å; D459-R528 IonicContact OD1-CZ 3.71Å; D459-R528 IonicContact OD1-NE 2.94Å; D459-R528 PolarHBondContact OD1-NE 3Å; D459-R528 IonicContact OD1-NH2 3.79Å; D459-R528 PolarHBondContact OD1-NH2 3.47Å |
| 460 | T | 97.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -95.8 | 176.7 | 176.2 | 73.5 | 0 | 0 | 0 | 0 | 112.5 | F457 H458 F462 V463 G522 L526 | F457-T460 WeakPolarHBondContact O-CB 3.3Å; F457-T460 WeakPolarHBondContact O-CG2 3.41Å; F457-T460 PolarHBondContact O-N 2.75Å; F457-T460 PolarHBondContact O-OG1 3.48Å; H458-T460 WeakPolarHBondContact O-CG2 3.28Å; H458-T460 PolarHBondContact O-N 3.14Å; T460-F462 PolarHBondContact O-N 3.25Å; T460-F462 VanDerWaalsContact OG1-CB 3.28Å; T460-F462 WeakPolarHBondContact OG1-CB 3.03Å; T460-F462 PolarHBondContact OG1-N 2.98Å; T460-F462 VanDerWaalsContact OG1-N 3.11Å; T460-V463 PolarHBondContact O-N 2.96Å; T460-G522 PolarHBondContact OG1-O 2.97Å; T460-L526 CarbonylContact C-O 3.59Å; T460-L526 VanDerWaalsContact CA-O 3.23Å; T460-L526 WeakPolarHBondContact CA-O 3.21Å; T460-L526 WeakPolarHBondContact CB-O 3.4Å |
| 461 | W | 97.2 | Very high | 95.9 | Very high | 14 Ų | 14 | 37.7 Ų | 37.7 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -15.7 | 170.8 | -73.2 | 29 | 0 | 0 | 0 | 113.3 | L138 V463 V464 A465 M518 L521 L526 P527 N541 | L138-W461 HydrophobicContact CD1-CH2 4.03Å; L138-W461 HydrophobicContact CD1-CZ2 4.04Å; W461-V463 VanDerWaalsContact C-N 3.32Å; W461-V463 PolarHBondContact O-N 3.46Å; W461-V464 WeakPolarHBondContact O-CB 3.37Å; W461-V464 PolarHBondContact O-N 3.08Å; W461-A465 WeakPolarHBondContact O-CB 3.41Å; W461-A465 PolarHBondContact O-N 2.92Å; W461-M518 CarbonylContact C-O 3.52Å; W461-M518 HydrophobicContact CB-CB 4.37Å; W461-M518 HydrophobicContact CE3-CB 4.39Å; W461-M518 HydrophobicContact CE3-CG 3.96Å; W461-L521 HydrophobicContact CB-CB 4.44Å; W461-L521 HydrophobicContact CD2-CB 4.43Å; W461-L521 HydrophobicContact CE3-CB 3.78Å; W461-L521 HydrophobicContact CE3-CD1 3.46Å; W461-L521 VanDerWaalsContact CE3-CD1 3.46Å; W461-L521 HydrophobicContact CE3-CG 4.25Å; W461-L521 HydrophobicContact CH2-CD1 4.43Å; W461-L521 HydrophobicContact CZ3-CB 4.42Å; W461-L521 HydrophobicContact CZ3-CD1 3.31Å; W461-L521 HydrophobicContact CZ3-CG 4.46Å; W461-L526 HydrophobicContact CD2-CB 4.25Å; W461-L526 HydrophobicContact CD2-CD2 4.49Å; W461-L526 HydrophobicContact CG-CB 4.11Å; W461-L526 HydrophobicContact CH2-CD2 4.4Å; W461-L526 HydrophobicContact CZ2-CD2 4.34Å; W461-L526 PolarHBondContact N-O 3.21Å; W461-P527 PolarHBondContact NE1-O 3.06Å; W461-N541 VanDerWaalsContact CH2-OD1 3.32Å; W461-N541 WeakPolarHBondContact CH2-OD1 3.25Å; W461-N541 VanDerWaalsContact CZ3-OD1 3.23Å; W461-N541 WeakPolarHBondContact CZ3-OD1 3.39Å |
| 462 | F | 98.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.053 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 174.8 | -167.8 | -78.6 | 0 | 0 | 0 | 110 | T444 A447 L448 F457 T460 V464 A465 H466 H519 G522 M523 | T444-F462 HydrophobicContact CG2-CZ 4.28Å; A447-F462 HydrophobicContact CB-CZ 4.31Å; L448-F462 HydrophobicContact CD1-CD1 4.11Å; L448-F462 HydrophobicContact CD1-CE1 4.2Å; L448-F462 HydrophobicContact CD2-CD1 3.71Å; L448-F462 HydrophobicContact CD2-CE1 4.05Å; L448-F462 HydrophobicContact CG-CD1 3.9Å; L448-F462 HydrophobicContact CG-CE1 3.82Å; F457-F462 HydrophobicContact CB-CB 4.13Å; F457-F462 HydrophobicContact CB-CD1 4.21Å; F457-F462 HydrophobicContact CB-CG 4.18Å; F457-F462 HydrophobicContact CD1-CD2 4.3Å; F457-F462 HydrophobicContact CD1-CG 4.36Å; F457-F462 HydrophobicContact CD2-CD1 4.22Å; F457-F462 HydrophobicContact CD2-CE1 4.19Å; F457-F462 HydrophobicContact CD2-CE2 4.49Å; F457-F462 HydrophobicContact CD2-CG 4.39Å; F457-F462 HydrophobicContact CD2-CZ 4.32Å; F457-F462 HydrophobicContact CE2-CE2 4.35Å; F457-F462 HydrophobicContact CE2-CZ 4.28Å; F457-F462 HydrophobicContact CG-CB 4.4Å; F457-F462 HydrophobicContact CG-CD1 4.23Å; F457-F462 HydrophobicContact CG-CD2 4.33Å; F457-F462 HydrophobicContact CG-CG 4.06Å; F457-F462 HydrophobicContact CZ-CE2 4.45Å; T460-F462 PolarHBondContact O-N 3.25Å; T460-F462 VanDerWaalsContact OG1-CB 3.28Å; T460-F462 WeakPolarHBondContact OG1-CB 3.03Å; T460-F462 PolarHBondContact OG1-N 2.98Å; T460-F462 VanDerWaalsContact OG1-N 3.11Å; F462-V464 VanDerWaalsContact C-N 3.32Å; F462-V464 PolarHBondContact O-N 3.42Å; F462-A465 WeakPolarHBondContact O-CB 3.5Å; F462-A465 PolarHBondContact O-N 3.26Å; F462-H466 WeakPolarHBondContact O-CB 3.32Å; F462-H466 PolarHBondContact O-N 3.16Å; F462-H519 HydrophobicContact CD2-CB 4.18Å; F462-H519 HydrophobicContact CE2-CB 4.23Å; F462-H519 AromaticContact CE2-CD2 3.94Å; F462-G522 VanDerWaalsContact N-CA 3.31Å; F462-M523 HydrophobicContact CD2-CG 3.82Å; F462-M523 HydrophobicContact CE2-CG 4.05Å; F462-M523 HydrophobicContact CE2-SD 4.45Å |
| 463 | V | 97.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 15% | 0.145 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | L448 F457 T460 W461 F467 | L448-V463 HydrophobicContact CD1-CG2 4.26Å; L448-V463 HydrophobicContact CD2-CG2 3.77Å; F457-V463 WeakPolarHBondContact O-CG2 3.42Å; T460-V463 PolarHBondContact O-N 2.96Å; W461-V463 VanDerWaalsContact C-N 3.32Å; W461-V463 PolarHBondContact O-N 3.46Å; V463-F467 WeakPolarHBondContact O-CB 3.39Å; V463-F467 PolarHBondContact O-N 2.79Å |
| 464 | V | 96.8 | Very high | 93.5 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | W461 F462 F467 H468 M518 R528 | W461-V464 WeakPolarHBondContact O-CB 3.37Å; W461-V464 PolarHBondContact O-N 3.08Å; F462-V464 VanDerWaalsContact C-N 3.32Å; F462-V464 PolarHBondContact O-N 3.42Å; V464-F467 PolarHBondContact O-N 2.73Å; V464-H468 PolarHBondContact O-N 3.35Å; V464-H468 VanDerWaalsContact O-N 3.1Å; V464-H468 PolarHBondContact O-ND1 2.89Å; V464-M518 HydrophobicContact CG1-SD 4Å; V464-R528 HydrophobicContact CG2-CB 3.86Å |
| 465 | A | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -54.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W461 F462 F467 H468 Y469 F515 M518 H519 | W461-A465 WeakPolarHBondContact O-CB 3.41Å; W461-A465 PolarHBondContact O-N 2.92Å; F462-A465 WeakPolarHBondContact O-CB 3.5Å; F462-A465 PolarHBondContact O-N 3.26Å; A465-F467 VanDerWaalsContact C-N 3.31Å; A465-F467 PolarHBondContact O-N 2.82Å; A465-H468 PolarHBondContact O-N 3.24Å; A465-H468 VanDerWaalsContact O-N 3.16Å; A465-Y469 WeakPolarHBondContact O-CD2 3.23Å; A465-Y469 PolarHBondContact O-N 3.38Å; A465-F515 WeakPolarHBondContact CB-O 2.95Å; A465-M518 HydrophobicContact CB-CB 3.7Å; A465-H519 WeakPolarHBondContact CB-CE1 3.24Å; A465-H519 WeakPolarHBondContact CB-NE2 3.32Å |
| 466 | H | 97.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 25 Ų | 25 | 17% | 0.171 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -51 | -50.7 | 176.5 | 168.5 | 68.8 | 0 | 0 | 0 | 111.6 | G441 T444 G445 L448 F462 H468 Y469 V470 | G441-H466 PolarHBondContact O-CE1 3.22Å; G441-H466 PolarHBondContact O-ND1 2.91Å; T444-H466 PolarHBondContact OG1-ND1 2.73Å; G445-H466 WeakPolarHBondContact CA-CE1 3.42Å; G445-H466 PolarHBondContact N-CE1 3.44Å; G445-H466 PolarHBondContact N-ND1 2.91Å; L448-H466 HydrophobicContact CD1-CB 3.6Å; L448-H466 VanDerWaalsContact CD1-CD2 3.44Å; L448-H466 WeakPolarHBondContact CD1-CD2 3.5Å; L448-H466 VanDerWaalsContact CD1-CG 3.44Å; F462-H466 WeakPolarHBondContact O-CB 3.32Å; F462-H466 PolarHBondContact O-N 3.16Å; H466-H468 VanDerWaalsContact C-N 3.33Å; H466-H468 PolarHBondContact O-N 2.92Å; H466-Y469 PolarHBondContact O-N 3.3Å; H466-V470 PolarHBondContact O-N 2.99Å |
| 467 | F | 96 | Very high | 93.4 | Very high | 52 Ų | 52 | 19.5 Ų | 19.5 | 23% | 0.228 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | -177.8 | -170.1 | -117.1 | 0 | 0 | 0 | 112.5 | I163 W221 V332 V463 V464 A465 V470 L471 | I163-F467 HydrophobicContact CD1-CZ 4.21Å; W221-F467 HydrophobicContact CZ2-CZ 4.46Å; V332-F467 HydrophobicContact CG1-CE2 3.71Å; V463-F467 WeakPolarHBondContact O-CB 3.39Å; V463-F467 PolarHBondContact O-N 2.79Å; V464-F467 PolarHBondContact O-N 2.73Å; A465-F467 VanDerWaalsContact C-N 3.31Å; A465-F467 PolarHBondContact O-N 2.82Å; F467-V470 PolarHBondContact O-N 3.38Å; F467-L471 HydrophobicContact CD1-CD1 4.26Å; F467-L471 HydrophobicContact CD2-CD1 4.16Å; F467-L471 HydrophobicContact CD2-CG 4.4Å; F467-L471 HydrophobicContact CE1-CD1 3.57Å; F467-L471 HydrophobicContact CE2-CD1 3.45Å; F467-L471 VanDerWaalsContact CE2-CD1 3.45Å; F467-L471 HydrophobicContact CE2-CG 4.07Å; F467-L471 HydrophobicContact CZ-CD1 3.12Å; F467-L471 HydrophobicContact CZ-CG 4.18Å; F467-L471 PolarHBondContact O-N 3.01Å |
| 468 | H | 96.8 | Very high | 93.3 | Very high | 37 Ų | 37 | 18.4 Ų | 18.4 | 17% | 0.171 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -74.7 | -29.9 | 177.1 | -72.9 | 83.9 | 0 | 0 | 0 | 112.9 | H158 V464 A465 H466 V470 S472 L473 F515 | H158-H468 AromaticContact NE2-NE2 3.87Å; V464-H468 PolarHBondContact O-N 3.35Å; V464-H468 VanDerWaalsContact O-N 3.1Å; V464-H468 PolarHBondContact O-ND1 2.89Å; A465-H468 PolarHBondContact O-N 3.24Å; A465-H468 VanDerWaalsContact O-N 3.16Å; H466-H468 VanDerWaalsContact C-N 3.33Å; H466-H468 PolarHBondContact O-N 2.92Å; H468-V470 VanDerWaalsContact C-N 3.28Å; H468-V470 PolarHBondContact O-N 3.31Å; H468-S472 CarbonylContact O-C 3.27Å; H468-S472 VanDerWaalsContact O-CA 3.31Å; H468-S472 WeakPolarHBondContact O-CA 3.43Å; H468-S472 WeakPolarHBondContact O-CB 3.44Å; H468-S472 PolarHBondContact O-N 3.15Å; H468-L473 PolarHBondContact O-N 3Å; H468-F515 HydrophobicContact CB-CB 4.44Å; H468-F515 HydrophobicContact CB-CD1 3.49Å; H468-F515 VanDerWaalsContact CB-CD1 3.49Å; H468-F515 HydrophobicContact CB-CD2 3.85Å; H468-F515 HydrophobicContact CB-CE1 3.55Å; H468-F515 HydrophobicContact CB-CE2 3.9Å; H468-F515 HydrophobicContact CB-CG 3.66Å; H468-F515 HydrophobicContact CB-CZ 3.76Å; H468-F515 AromaticContact CD2-CE1 3.31Å; H468-F515 WeakPolarHBondContact CD2-CE1 3.39Å; H468-F515 AromaticContact CD2-CZ 3.29Å; H468-F515 WeakPolarHBondContact CD2-CZ 3.39Å; H468-F515 AromaticContact CG-CD1 3.68Å; H468-F515 AromaticContact CG-CE1 3.28Å; H468-F515 AromaticContact CG-CZ 3.62Å; H468-F515 AromaticContact ND1-CE1 3.87Å; H468-F515 AromaticContact NE2-CE1 3.91Å |
| 469 | Y | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.4 | -34.2 | 169.3 | -91.1 | -100.2 | 0 | 0 | 0 | 112.5 | L437 V440 A465 H466 L473 G474 N512 F515 F516 H519 | L437-Y469 HydrophobicContact CB-CD1 4.37Å; L437-Y469 HydrophobicContact CD2-CD1 4.47Å; L437-Y469 HydrophobicContact CD2-CE1 3.79Å; V440-Y469 HydrophobicContact CB-CD1 4.08Å; V440-Y469 HydrophobicContact CB-CE1 4.16Å; V440-Y469 HydrophobicContact CG1-CD1 3.88Å; V440-Y469 HydrophobicContact CG1-CE1 3.75Å; A465-Y469 WeakPolarHBondContact O-CD2 3.23Å; A465-Y469 PolarHBondContact O-N 3.38Å; H466-Y469 PolarHBondContact O-N 3.3Å; Y469-L473 HydrophobicContact CD1-CD1 3.52Å; Y469-L473 HydrophobicContact CD2-CD1 4.11Å; Y469-L473 HydrophobicContact CE1-CD1 3.6Å; Y469-L473 HydrophobicContact CE2-CD1 4.19Å; Y469-L473 HydrophobicContact CG-CD1 3.79Å; Y469-L473 VanDerWaalsContact O-CB 3.28Å; Y469-L473 WeakPolarHBondContact O-CB 3.23Å; Y469-G474 PolarHBondContact O-N 3.21Å; Y469-N512 PolarHBondContact OH-OD1 3.41Å; Y469-F515 HydrophobicContact CD2-CB 4Å; Y469-F515 HydrophobicContact CE2-CB 3.68Å; Y469-F516 VanDerWaalsContact OH-CB 3.27Å; Y469-F516 WeakPolarHBondContact OH-CB 3.15Å; Y469-F516 WeakPolarHBondContact OH-CD2 3.47Å; Y469-H519 AromaticContact CD2-CE1 3.7Å; Y469-H519 AromaticContact CE2-CE1 3.68Å |
| 470 | V | 93.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 14.1 Ų | 14.1 | 13% | 0.133 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -81 | -49.7 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | F438 H466 F467 H468 G474 S475 | F438-V470 HydrophobicContact CE2-CG1 4.04Å; H466-V470 PolarHBondContact O-N 2.99Å; F467-V470 PolarHBondContact O-N 3.38Å; H468-V470 VanDerWaalsContact C-N 3.28Å; H468-V470 PolarHBondContact O-N 3.31Å; V470-G474 WeakPolarHBondContact O-CA 3.41Å; V470-G474 PolarHBondContact O-N 3.48Å; V470-G474 VanDerWaalsContact O-N 3.12Å; V470-S475 PolarHBondContact O-N 3Å |
| 471 | L | 85.8 | Confident | 93.2 | Very high | 10 Ų | 10 | 13.8 Ų | 13.8 | 5% | 0.052 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -88.7 | -44.5 | -175.1 | -69.8 | -170.2 | 0 | 0 | 0 | 114.6 | L167 V332 L335 F467 S475 Y476 | L167-L471 HydrophobicContact CD1-CB 4.3Å; V332-L471 HydrophobicContact CB-CD2 4.37Å; V332-L471 HydrophobicContact CG1-CD1 4.47Å; V332-L471 HydrophobicContact CG1-CD2 4.36Å; L335-L471 HydrophobicContact CB-CD2 3.94Å; L335-L471 HydrophobicContact CD1-CD1 4.01Å; L335-L471 HydrophobicContact CD1-CD2 3.73Å; F467-L471 HydrophobicContact CD1-CD1 4.26Å; F467-L471 HydrophobicContact CD2-CD1 4.16Å; F467-L471 HydrophobicContact CD2-CG 4.4Å; F467-L471 HydrophobicContact CE1-CD1 3.57Å; F467-L471 HydrophobicContact CE2-CD1 3.45Å; F467-L471 VanDerWaalsContact CE2-CD1 3.45Å; F467-L471 HydrophobicContact CE2-CG 4.07Å; F467-L471 HydrophobicContact CZ-CD1 3.12Å; F467-L471 HydrophobicContact CZ-CG 4.18Å; F467-L471 PolarHBondContact O-N 3.01Å; L471-S475 CarbonylContact O-C 3.47Å; L471-S475 WeakPolarHBondContact O-CA 3.37Å; L471-S475 WeakPolarHBondContact O-CB 3.32Å; L471-S475 PolarHBondContact O-N 3.48Å; L471-Y476 PolarHBondContact O-N 2.94Å |
| 472 | S | 69.5 | Low | 93.1 | Very high | 19 Ų | 19 | 13.1 Ų | 13.1 | 13% | 0.133 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -73.8 | -53.5 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | H468 Y476 S477 | H468-S472 CarbonylContact O-C 3.27Å; H468-S472 VanDerWaalsContact O-CA 3.31Å; H468-S472 WeakPolarHBondContact O-CA 3.43Å; H468-S472 WeakPolarHBondContact O-CB 3.44Å; H468-S472 PolarHBondContact O-N 3.15Å; S472-Y476 WeakPolarHBondContact O-CA 3.26Å; S472-Y476 WeakPolarHBondContact O-CB 3.44Å; S472-Y476 PolarHBondContact O-N 3.2Å; S472-S477 PolarHBondContact O-N 2.99Å |
| 473 | L | 79.7 | Confident | 92.9 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | I | π-helix | trans | -79.2 | -25.2 | -175.8 | -68.6 | 170.4 | 0 | 0 | 0 | 114 | L437 H468 Y469 S477 F511 | L437-L473 HydrophobicContact CB-CB 3.93Å; L437-L473 HydrophobicContact CB-CD1 4.1Å; L437-L473 HydrophobicContact CB-CG 4.43Å; L437-L473 HydrophobicContact CD1-CB 4.3Å; L437-L473 HydrophobicContact CD1-CD1 3.91Å; L437-L473 HydrophobicContact CD1-CD2 3.48Å; L437-L473 VanDerWaalsContact CD1-CD2 3.48Å; L437-L473 HydrophobicContact CD1-CG 4.09Å; L437-L473 HydrophobicContact CD2-CD1 4.32Å; L437-L473 HydrophobicContact CG-CD1 4.33Å; H468-L473 PolarHBondContact O-N 3Å; Y469-L473 HydrophobicContact CD1-CD1 3.52Å; Y469-L473 HydrophobicContact CD2-CD1 4.11Å; Y469-L473 HydrophobicContact CE1-CD1 3.6Å; Y469-L473 HydrophobicContact CE2-CD1 4.19Å; Y469-L473 HydrophobicContact CG-CD1 3.79Å; Y469-L473 VanDerWaalsContact O-CB 3.28Å; Y469-L473 WeakPolarHBondContact O-CB 3.23Å; L473-S477 WeakPolarHBondContact O-CB 3.16Å; L473-S477 PolarHBondContact O-OG 3.26Å; L473-F511 HydrophobicContact CD1-CB 4.11Å; L473-F511 HydrophobicContact CD2-CB 3.36Å; L473-F511 HydrophobicContact CD2-CD2 3.16Å; L473-F511 HydrophobicContact CD2-CE2 4.08Å; L473-F511 HydrophobicContact CD2-CG 3.51Å; L473-F511 HydrophobicContact CG-CB 4Å; L473-F511 HydrophobicContact CG-CD2 4.37Å; L473-F511 HydrophobicContact CG-CG 4.36Å |
| 474 | G | 87.3 | Confident | 92.8 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -86 | -73.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F434 Y469 V470 S477 S478 | F434-G474 WeakPolarHBondContact CE2-O 3.5Å; Y469-G474 PolarHBondContact O-N 3.21Å; V470-G474 WeakPolarHBondContact O-CA 3.41Å; V470-G474 PolarHBondContact O-N 3.48Å; V470-G474 VanDerWaalsContact O-N 3.12Å; G474-S477 PolarHBondContact O-N 3.45Å; G474-S478 WeakPolarHBondContact O-CB 3.49Å; G474-S478 PolarHBondContact O-N 3.25Å |
| 475 | S | 92.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | I | π-helix | trans | -65.7 | -43.1 | -171.4 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | L335 V470 L471 S478 M479 | L335-S475 WeakPolarHBondContact O-CB 3.24Å; L335-S475 PolarHBondContact O-OG 2.99Å; V470-S475 PolarHBondContact O-N 3Å; L471-S475 CarbonylContact O-C 3.47Å; L471-S475 WeakPolarHBondContact O-CA 3.37Å; L471-S475 WeakPolarHBondContact O-CB 3.32Å; L471-S475 PolarHBondContact O-N 3.48Å; S475-S478 WeakPolarHBondContact O-CB 3.22Å; S475-S478 PolarHBondContact O-N 3.17Å; S475-S478 PolarHBondContact O-OG 3.38Å; S475-M479 PolarHBondContact O-N 3.07Å |
| 476 | Y | 94.9 | Very high | 92.5 | Very high | 20 Ų | 20 | 15.3 Ų | 15.3 | 8% | 0.078 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -68.4 | -42.5 | 176.4 | 159.1 | -80.8 | 0 | 0 | 0 | 112.6 | F166 L471 S472 S478 M479 V480 F511 | F166-Y476 HydrophobicContact CE1-CD2 4.03Å; F166-Y476 AromaticContact CZ-CD2 3.78Å; F166-Y476 HydrophobicContact CZ-CD2 3.78Å; F166-Y476 HydrophobicContact CZ-CE2 4.33Å; L471-Y476 PolarHBondContact O-N 2.94Å; S472-Y476 WeakPolarHBondContact O-CA 3.26Å; S472-Y476 WeakPolarHBondContact O-CB 3.44Å; S472-Y476 PolarHBondContact O-N 3.2Å; Y476-S478 PolarHBondContact O-N 2.97Å; Y476-M479 HydrophobicContact CD2-CE 3.52Å; Y476-M479 HydrophobicContact CE2-CE 3.53Å; Y476-M479 HydrophobicContact CG-CE 4.5Å; Y476-M479 WeakPolarHBondContact O-CA 3.44Å; Y476-M479 VanDerWaalsContact O-CB 3.3Å; Y476-M479 WeakPolarHBondContact O-CB 3.29Å; Y476-M479 PolarHBondContact O-N 2.77Å; Y476-V480 HydrophobicContact CD1-CG2 4.25Å; Y476-V480 HydrophobicContact CD2-CG2 4.46Å; Y476-V480 HydrophobicContact CE1-CG2 3.67Å; Y476-V480 HydrophobicContact CE2-CG2 3.95Å; Y476-V480 WeakPolarHBondContact O-CG2 3.44Å; Y476-V480 PolarHBondContact O-N 3.44Å; Y476-F511 AromaticContact CD1-CE2 3.94Å; Y476-F511 HydrophobicContact CD1-CE2 3.94Å; Y476-F511 AromaticContact CD1-CZ 3.72Å; Y476-F511 HydrophobicContact CD1-CZ 3.72Å; Y476-F511 AromaticContact CE1-CE2 3.68Å; Y476-F511 HydrophobicContact CE1-CE2 3.68Å; Y476-F511 AromaticContact CE1-CZ 3.37Å; Y476-F511 HydrophobicContact CE1-CZ 3.37Å |
| 477 | S | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.7 | -37.5 | 173 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | S472 L473 G474 V480 M481 | S472-S477 PolarHBondContact O-N 2.99Å; L473-S477 WeakPolarHBondContact O-CB 3.16Å; L473-S477 PolarHBondContact O-OG 3.26Å; G474-S477 PolarHBondContact O-N 3.45Å; S477-V480 PolarHBondContact O-N 3.36Å; S477-M481 WeakPolarHBondContact O-CG 3.26Å; S477-M481 PolarHBondContact O-N 3.39Å |
| 478 | S | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.3 | -49.7 | 173.3 | 87.4 | 0 | 0 | 0 | 0 | 110.9 | G339 M342 G474 S475 Y476 V480 M481 M482 | G339-S478 WeakPolarHBondContact CA-OG 3.39Å; M342-S478 VanDerWaalsContact CE-C 3.4Å; M342-S478 WeakPolarHBondContact CE-O 3.49Å; G474-S478 WeakPolarHBondContact O-CB 3.49Å; G474-S478 PolarHBondContact O-N 3.25Å; S475-S478 WeakPolarHBondContact O-CB 3.22Å; S475-S478 PolarHBondContact O-N 3.17Å; S475-S478 PolarHBondContact O-OG 3.38Å; Y476-S478 PolarHBondContact O-N 2.97Å; S478-V480 VanDerWaalsContact C-N 3.28Å; S478-V480 PolarHBondContact O-N 2.88Å; S478-M481 PolarHBondContact O-N 3.05Å; S478-M481 VanDerWaalsContact O-N 3.08Å; S478-M482 WeakPolarHBondContact O-CB 3.41Å; S478-M482 PolarHBondContact O-N 3.39Å |
| 479 | M | 95.4 | Very high | 91.8 | Very high | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -52.7 | -45 | 175.2 | -178.6 | -155.8 | 72.8 | 0 | 0 | 112.4 | F166 I170 L171 F175 S475 Y476 M482 L483 L558 | F166-M479 HydrophobicContact CE2-CE 4.22Å; F166-M479 HydrophobicContact CE2-SD 3.53Å; F166-M479 VanDerWaalsContact CE2-SD 3.53Å; F166-M479 HydrophobicContact CZ-CE 3.86Å; F166-M479 HydrophobicContact CZ-SD 3.54Å; F166-M479 VanDerWaalsContact CZ-SD 3.54Å; I170-M479 HydrophobicContact CB-CG 4.43Å; I170-M479 HydrophobicContact CB-SD 4.39Å; I170-M479 HydrophobicContact CD1-SD 3.55Å; I170-M479 VanDerWaalsContact CD1-SD 3.55Å; I170-M479 HydrophobicContact CG2-CG 3.55Å; I170-M479 HydrophobicContact CG2-SD 3.95Å; L171-M479 HydrophobicContact CD2-CB 3.97Å; F175-M479 HydrophobicContact CE2-CG 4.37Å; S475-M479 PolarHBondContact O-N 3.07Å; Y476-M479 HydrophobicContact CD2-CE 3.52Å; Y476-M479 HydrophobicContact CE2-CE 3.53Å; Y476-M479 HydrophobicContact CG-CE 4.5Å; Y476-M479 WeakPolarHBondContact O-CA 3.44Å; Y476-M479 VanDerWaalsContact O-CB 3.3Å; Y476-M479 WeakPolarHBondContact O-CB 3.29Å; Y476-M479 PolarHBondContact O-N 2.77Å; M479-M482 VanDerWaalsContact O-CB 3.31Å; M479-M482 WeakPolarHBondContact O-CB 3.29Å; M479-M482 PolarHBondContact O-N 3.29Å; M479-L483 WeakPolarHBondContact O-CB 3.39Å; M479-L483 PolarHBondContact O-N 2.96Å; M479-L558 HydrophobicContact CE-CD2 4.27Å |
| 480 | V | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 177.7 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | W430 Y476 S477 S478 M482 L483 V484 L558 | W430-V480 HydrophobicContact CD2-CG1 4.12Å; W430-V480 HydrophobicContact CE3-CG1 4.37Å; W430-V480 HydrophobicContact CH2-CB 4.35Å; W430-V480 HydrophobicContact CH2-CG1 4Å; W430-V480 HydrophobicContact CH2-CG2 4.37Å; W430-V480 HydrophobicContact CZ2-CG1 3.75Å; W430-V480 HydrophobicContact CZ3-CB 4.32Å; W430-V480 HydrophobicContact CZ3-CG1 4.31Å; Y476-V480 HydrophobicContact CD1-CG2 4.25Å; Y476-V480 HydrophobicContact CD2-CG2 4.46Å; Y476-V480 HydrophobicContact CE1-CG2 3.67Å; Y476-V480 HydrophobicContact CE2-CG2 3.95Å; Y476-V480 WeakPolarHBondContact O-CG2 3.44Å; Y476-V480 PolarHBondContact O-N 3.44Å; S477-V480 PolarHBondContact O-N 3.36Å; S478-V480 VanDerWaalsContact C-N 3.28Å; S478-V480 PolarHBondContact O-N 2.88Å; V480-M482 VanDerWaalsContact C-N 3.35Å; V480-M482 PolarHBondContact O-N 3.46Å; V480-L483 PolarHBondContact O-N 2.94Å; V480-V484 HydrophobicContact CG1-CG2 4.17Å; V480-V484 WeakPolarHBondContact O-CB 3.47Å; V480-V484 VanDerWaalsContact O-CG2 3.31Å; V480-V484 WeakPolarHBondContact O-CG2 3.48Å; V480-V484 PolarHBondContact O-N 2.98Å; V480-L558 HydrophobicContact CG2-CD2 4.15Å |
| 481 | M | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 176 | -72.6 | -175.3 | -69.5 | 0 | 0 | 111.2 | M342 V343 I346 M427 W430 L431 F434 S477 S478 L483 V484 W485 | M342-M481 HydrophobicContact CE-CB 4.12Å; M342-M481 HydrophobicContact SD-CB 3.66Å; V343-M481 HydrophobicContact CG2-CE 3.58Å; V343-M481 HydrophobicContact CG2-SD 4.46Å; I346-M481 HydrophobicContact CD1-CB 4.24Å; M427-M481 VanDerWaalsContact CE-C 3.5Å; M427-M481 VanDerWaalsContact CE-CA 3.49Å; M427-M481 HydrophobicContact CE-CB 3.83Å; M427-M481 HydrophobicContact CE-CG 4.28Å; M427-M481 WeakPolarHBondContact CE-O 3.46Å; M427-M481 HydrophobicContact SD-CB 4.18Å; M427-M481 HydrophobicContact SD-CG 4.01Å; W430-M481 HydrophobicContact CB-CG 3.54Å; W430-M481 HydrophobicContact CB-SD 3.87Å; W430-M481 HydrophobicContact CG-CG 4.23Å; L431-M481 HydrophobicContact CD2-SD 3.72Å; L431-M481 HydrophobicContact CG-SD 4.05Å; F434-M481 HydrophobicContact CB-CE 3.81Å; F434-M481 HydrophobicContact CD1-CE 4.4Å; F434-M481 HydrophobicContact CD2-CE 3.97Å; F434-M481 HydrophobicContact CG-CE 3.8Å; S477-M481 WeakPolarHBondContact O-CG 3.26Å; S477-M481 PolarHBondContact O-N 3.39Å; S478-M481 PolarHBondContact O-N 3.05Å; S478-M481 VanDerWaalsContact O-N 3.08Å; M481-L483 PolarHBondContact O-N 3.25Å; M481-V484 PolarHBondContact O-N 2.85Å; M481-W485 VanDerWaalsContact O-CB 3.27Å; M481-W485 WeakPolarHBondContact O-CB 3.45Å; M481-W485 PolarHBondContact O-N 2.84Å |
| 482 | M | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -52.7 | -45.5 | 176.6 | -124.7 | 163.6 | -152.5 | 0 | 0 | 111.7 | L171 F175 M273 P338 M342 S478 M479 V480 W486 | L171-M482 HydrophobicContact CD2-SD 3.66Å; F175-M482 HydrophobicContact CB-SD 3.98Å; F175-M482 HydrophobicContact CD1-CB 4.01Å; F175-M482 HydrophobicContact CD1-CG 3.6Å; F175-M482 HydrophobicContact CD1-SD 4.07Å; F175-M482 HydrophobicContact CD2-CB 4.05Å; F175-M482 HydrophobicContact CD2-CG 3.86Å; F175-M482 HydrophobicContact CD2-SD 3.41Å; F175-M482 WeakPolarHBondContact CD2-SD 3.49Å; F175-M482 HydrophobicContact CE1-CB 3.58Å; F175-M482 HydrophobicContact CE1-CG 3.72Å; F175-M482 HydrophobicContact CE2-CB 3.57Å; F175-M482 HydrophobicContact CE2-CG 3.92Å; F175-M482 HydrophobicContact CE2-SD 3.9Å; F175-M482 HydrophobicContact CG-CB 4.28Å; F175-M482 HydrophobicContact CG-CG 3.73Å; F175-M482 HydrophobicContact CG-SD 3.54Å; F175-M482 VanDerWaalsContact CG-SD 3.54Å; F175-M482 HydrophobicContact CZ-CB 3.39Å; F175-M482 HydrophobicContact CZ-CG 3.92Å; F175-M482 HydrophobicContact CZ-SD 4.5Å; M273-M482 HydrophobicContact CE-CE 3.64Å; M273-M482 HydrophobicContact SD-CE 4.31Å; P338-M482 HydrophobicContact CB-CE 4.2Å; P338-M482 VanDerWaalsContact O-CE 3.25Å; P338-M482 WeakPolarHBondContact O-CE 3.38Å; M342-M482 HydrophobicContact CB-CE 3.49Å; M342-M482 VanDerWaalsContact CB-CE 3.49Å; M342-M482 HydrophobicContact CB-CG 4.27Å; M342-M482 HydrophobicContact CE-CB 3.64Å; M342-M482 HydrophobicContact CE-CE 3.86Å; M342-M482 HydrophobicContact CE-CG 3.49Å; M342-M482 VanDerWaalsContact CE-CG 3.49Å; M342-M482 HydrophobicContact CE-SD 3.8Å; M342-M482 HydrophobicContact CG-CE 4.14Å; M342-M482 HydrophobicContact CG-CG 3.84Å; M342-M482 HydrophobicContact SD-CB 4.32Å; M342-M482 HydrophobicContact SD-CG 4.19Å; S478-M482 WeakPolarHBondContact O-CB 3.41Å; S478-M482 PolarHBondContact O-N 3.39Å; M479-M482 VanDerWaalsContact O-CB 3.31Å; M479-M482 WeakPolarHBondContact O-CB 3.29Å; M479-M482 PolarHBondContact O-N 3.29Å; V480-M482 VanDerWaalsContact C-N 3.35Å; V480-M482 PolarHBondContact O-N 3.46Å; M482-W486 HydrophobicContact CB-CZ3 4.43Å; M482-W486 HydrophobicContact CG-CE3 3.95Å; M482-W486 HydrophobicContact CG-CZ3 3.49Å; M482-W486 VanDerWaalsContact CG-CZ3 3.49Å; M482-W486 PolarHBondContact O-N 3.1Å |
| 483 | L | 94.4 | Very high | 92.4 | Very high | 15 Ų | 15 | 22.4 Ų | 22.4 | 8% | 0.079 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.1 | -51.9 | 178.4 | -171.6 | 62.8 | 0 | 0 | 0 | 111.2 | F175 M479 V480 M481 W485 W486 W487 M490 L558 L562 | F175-L483 HydrophobicContact CZ-CB 4.18Å; M479-L483 WeakPolarHBondContact O-CB 3.39Å; M479-L483 PolarHBondContact O-N 2.96Å; V480-L483 PolarHBondContact O-N 2.94Å; M481-L483 PolarHBondContact O-N 3.25Å; L483-W485 VanDerWaalsContact C-N 3.34Å; L483-W485 PolarHBondContact O-N 3.25Å; L483-W486 PolarHBondContact O-N 3.42Å; L483-W487 HydrophobicContact CD1-CE3 3.89Å; L483-W487 HydrophobicContact CD1-CZ3 4.29Å; L483-W487 HydrophobicContact CG-CE3 4.45Å; L483-W487 WeakPolarHBondContact O-CA 3.43Å; L483-W487 WeakPolarHBondContact O-CB 3.48Å; L483-W487 PolarHBondContact O-N 3.09Å; L483-M490 HydrophobicContact CD1-CE 3.89Å; L483-L558 HydrophobicContact CD2-CD1 4.36Å; L483-L562 HydrophobicContact CD1-CD2 4.49Å; L483-L562 HydrophobicContact CD2-CD1 3.69Å; L483-L562 HydrophobicContact CD2-CD2 3.65Å; L483-L562 HydrophobicContact CD2-CG 4.24Å; L483-L562 HydrophobicContact CG-CD2 4Å |
| 484 | V | 95.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -39 | -177.4 | 169 | 0 | 0 | 0 | 0 | 112 | M427 V480 M481 L495 L500 | M427-V484 HydrophobicContact CE-CB 3.9Å; M427-V484 HydrophobicContact CE-CG1 3.94Å; M427-V484 HydrophobicContact CG-CG1 4.13Å; V480-V484 HydrophobicContact CG1-CG2 4.17Å; V480-V484 WeakPolarHBondContact O-CB 3.47Å; V480-V484 VanDerWaalsContact O-CG2 3.31Å; V480-V484 WeakPolarHBondContact O-CG2 3.48Å; V480-V484 PolarHBondContact O-N 2.98Å; M481-V484 PolarHBondContact O-N 2.85Å; V484-L495 HydrophobicContact CB-CD1 4.17Å; V484-L495 HydrophobicContact CG1-CD1 4.23Å; V484-L495 HydrophobicContact CG2-CD1 3.9Å; V484-L500 HydrophobicContact CG1-CD1 3.85Å; V484-L500 HydrophobicContact CG1-CD2 4.35Å; V484-L500 HydrophobicContact CG2-CD2 3.6Å |
| 485 | W | 94.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 25.5 Ų | 25.5 | 26% | 0.261 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -66.5 | -49.2 | -179.7 | -170.1 | -102.9 | 0 | 0 | 0 | 112 | I346 L350 M427 M481 L483 | I346-W485 HydrophobicContact CB-CE3 4.48Å; I346-W485 HydrophobicContact CD1-CB 3.92Å; I346-W485 HydrophobicContact CD1-CD2 4.04Å; I346-W485 HydrophobicContact CD1-CE3 4.22Å; I346-W485 HydrophobicContact CD1-CG 3.91Å; I346-W485 HydrophobicContact CG1-CB 4.44Å; I346-W485 HydrophobicContact CG1-CD2 3.73Å; I346-W485 HydrophobicContact CG1-CE3 4.07Å; I346-W485 HydrophobicContact CG1-CG 3.89Å; I346-W485 HydrophobicContact CG2-CD2 4.24Å; I346-W485 HydrophobicContact CG2-CE3 3.73Å; I346-W485 HydrophobicContact CG2-CH2 4.11Å; I346-W485 HydrophobicContact CG2-CZ3 3.67Å; L350-W485 HydrophobicContact CD2-CH2 4.14Å; L350-W485 HydrophobicContact CD2-CZ3 4.08Å; L350-W485 HydrophobicContact CG-CH2 4.26Å; L350-W485 HydrophobicContact CG-CZ3 4.29Å; M427-W485 HydrophobicContact CE-CB 3.46Å; M427-W485 VanDerWaalsContact CE-CB 3.46Å; M427-W485 HydrophobicContact CE-CE3 4.09Å; M427-W485 HydrophobicContact CE-CG 4.36Å; M427-W485 VanDerWaalsContact CE-N 3.32Å; M427-W485 HydrophobicContact CG-CE3 4.09Å; M481-W485 VanDerWaalsContact O-CB 3.27Å; M481-W485 WeakPolarHBondContact O-CB 3.45Å; M481-W485 PolarHBondContact O-N 2.84Å; L483-W485 VanDerWaalsContact C-N 3.34Å; L483-W485 PolarHBondContact O-N 3.25Å |
| 486 | W | 93.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 27.9 Ų | 27.9 | 8% | 0.076 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -97.1 | -2 | -173.4 | -72.3 | -58.2 | 0 | 0 | 0 | 114.4 | F175 F179 F183 M273 M342 M482 L483 F489 M490 | F175-W486 HydrophobicContact CD1-CE3 4.19Å; F175-W486 HydrophobicContact CE1-CE3 4.29Å; F179-W486 HydrophobicContact CD1-CD2 4.43Å; F179-W486 HydrophobicContact CD2-CE3 4.32Å; F179-W486 HydrophobicContact CE1-CB 3.94Å; F179-W486 AromaticContact CE1-CD1 3.8Å; F179-W486 AromaticContact CE1-CD2 3.97Å; F179-W486 HydrophobicContact CE1-CD2 3.97Å; F179-W486 AromaticContact CE1-CG 3.64Å; F179-W486 HydrophobicContact CE1-CG 3.64Å; F179-W486 HydrophobicContact CE2-CB 4.21Å; F179-W486 HydrophobicContact CE2-CD2 4.18Å; F179-W486 HydrophobicContact CE2-CE3 4.02Å; F179-W486 HydrophobicContact CE2-CG 4.28Å; F179-W486 HydrophobicContact CZ-CB 3.41Å; F179-W486 VanDerWaalsContact CZ-CB 3.41Å; F179-W486 AromaticContact CZ-CD2 3.86Å; F179-W486 HydrophobicContact CZ-CD2 3.86Å; F179-W486 HydrophobicContact CZ-CE3 4.17Å; F179-W486 AromaticContact CZ-CG 3.53Å; F179-W486 HydrophobicContact CZ-CG 3.53Å; F183-W486 HydrophobicContact CE2-CZ2 4.33Å; F183-W486 HydrophobicContact CZ-CH2 4.24Å; F183-W486 AromaticContact CZ-CZ2 3.7Å; F183-W486 HydrophobicContact CZ-CZ2 3.7Å; M273-W486 HydrophobicContact CE-CH2 3.82Å; M273-W486 HydrophobicContact CE-CZ3 4.11Å; M273-W486 HydrophobicContact CG-CH2 4.42Å; M273-W486 HydrophobicContact SD-CH2 4.24Å; M342-W486 HydrophobicContact CB-CH2 4.05Å; M342-W486 HydrophobicContact CB-CZ3 4.25Å; M342-W486 HydrophobicContact CG-CH2 3.73Å; M342-W486 HydrophobicContact CG-CZ3 3.74Å; M482-W486 HydrophobicContact CB-CZ3 4.43Å; M482-W486 HydrophobicContact CG-CE3 3.95Å; M482-W486 HydrophobicContact CG-CZ3 3.49Å; M482-W486 VanDerWaalsContact CG-CZ3 3.49Å; M482-W486 PolarHBondContact O-N 3.1Å; L483-W486 PolarHBondContact O-N 3.42Å; W486-F489 WeakPolarHBondContact O-CA 3.44Å; W486-F489 WeakPolarHBondContact O-CB 3.3Å; W486-F489 PolarHBondContact O-N 3.24Å; W486-M490 HydrophobicContact CB-CE 4.28Å; W486-M490 HydrophobicContact CB-CG 4.46Å; W486-M490 WeakPolarHBondContact O-CG 3.17Å; W486-M490 PolarHBondContact O-N 3.27Å |
| 487 | W | 93 | Very high | 93.6 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 9% | 0.087 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -52.4 | -47.5 | 177.3 | -179.9 | -94.5 | 0 | 0 | 0 | 113.6 | L483 F489 M490 V491 L495 L562 S565 L566 | L483-W487 HydrophobicContact CD1-CE3 3.89Å; L483-W487 HydrophobicContact CD1-CZ3 4.29Å; L483-W487 HydrophobicContact CG-CE3 4.45Å; L483-W487 WeakPolarHBondContact O-CA 3.43Å; L483-W487 WeakPolarHBondContact O-CB 3.48Å; L483-W487 PolarHBondContact O-N 3.09Å; W487-F489 PolarHBondContact O-N 3.12Å; W487-M490 PolarHBondContact O-N 3.45Å; W487-V491 HydrophobicContact CD2-CB 4.47Å; W487-V491 HydrophobicContact CD2-CG2 3.97Å; W487-V491 HydrophobicContact CE3-CG2 3.92Å; W487-V491 HydrophobicContact CH2-CG2 3.93Å; W487-V491 HydrophobicContact CZ2-CB 4.41Å; W487-V491 HydrophobicContact CZ2-CG1 4.29Å; W487-V491 HydrophobicContact CZ2-CG2 3.96Å; W487-V491 HydrophobicContact CZ3-CG2 3.89Å; W487-V491 PolarHBondContact O-N 2.82Å; W487-L495 HydrophobicContact CB-CD1 4.01Å; W487-L495 HydrophobicContact CB-CG 4.21Å; W487-L495 VanDerWaalsContact CD1-CG 3.48Å; W487-L495 HydrophobicContact CD2-CD2 4.11Å; W487-L495 HydrophobicContact CG-CD1 4.09Å; W487-L495 HydrophobicContact CG-CD2 3.8Å; W487-L495 HydrophobicContact CG-CG 3.87Å; W487-L562 HydrophobicContact CD2-CD2 4.07Å; W487-L562 HydrophobicContact CE3-CD2 3.7Å; W487-L562 HydrophobicContact CH2-CB 3.86Å; W487-L562 HydrophobicContact CH2-CD2 3.89Å; W487-L562 HydrophobicContact CH2-CG 4.37Å; W487-L562 HydrophobicContact CZ2-CB 4.27Å; W487-L562 HydrophobicContact CZ2-CD2 4.25Å; W487-L562 HydrophobicContact CZ3-CB 4.35Å; W487-L562 HydrophobicContact CZ3-CD2 3.62Å; W487-L562 HydrophobicContact CZ3-CG 4.38Å; W487-S565 PolarHBondContact NE1-OG 3.28Å; W487-L566 HydrophobicContact CH2-CD1 4.47Å; W487-L566 HydrophobicContact CH2-CD2 4.47Å; W487-L566 HydrophobicContact CH2-CG 4.35Å; W487-L566 HydrophobicContact CZ2-CD2 4.13Å; W487-L566 HydrophobicContact CZ2-CG 4.03Å |
| 488 | P | 91.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 19% | 0.188 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.9 | -36 | 173.6 | -30.4 | 40.1 | 0 | 0 | 0 | 114.3 | G492 Y493 V572 L575 | P488-G492 WeakPolarHBondContact O-CA 3.44Å; P488-G492 PolarHBondContact O-N 3.08Å; P488-Y493 WeakPolarHBondContact CA-O 3.28Å; P488-V572 HydrophobicContact CB-CB 4.48Å; P488-V572 HydrophobicContact CB-CG2 3.92Å; P488-V572 HydrophobicContact CG-CG2 4.45Å; P488-L575 HydrophobicContact CB-CD2 4.04Å |
| 489 | F | 90 | Very high | 93.7 | Very high | 99 Ų | 99 | 42.2 Ų | 42.2 | 43% | 0.434 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -77.1 | -38.8 | 179.9 | 175.8 | -94 | 0 | 0 | 0 | 112.3 | Y178 F179 M182 W486 W487 L575 | Y178-F489 HydrophobicContact CE1-CD1 4.34Å; Y178-F489 HydrophobicContact CE1-CE1 4.06Å; F179-F489 AromaticContact CE1-CD1 3.75Å; F179-F489 HydrophobicContact CE1-CD1 3.75Å; F179-F489 AromaticContact CE1-CE1 3.89Å; F179-F489 HydrophobicContact CE1-CE1 3.89Å; F179-F489 HydrophobicContact CZ-CD1 4.41Å; M182-F489 HydrophobicContact CE-CE1 3.91Å; M182-F489 HydrophobicContact CE-CZ 4.2Å; M182-F489 HydrophobicContact SD-CE1 3.47Å; M182-F489 WeakPolarHBondContact SD-CE1 3.42Å; M182-F489 HydrophobicContact SD-CZ 3.66Å; W486-F489 WeakPolarHBondContact O-CA 3.44Å; W486-F489 WeakPolarHBondContact O-CB 3.3Å; W486-F489 PolarHBondContact O-N 3.24Å; W487-F489 PolarHBondContact O-N 3.12Å; F489-L575 HydrophobicContact CD2-CD1 4.31Å |
| 490 | M | 89.8 | Confident | 93.9 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 14% | 0.143 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.2 | -38 | -178 | -67.8 | -171.1 | -70.2 | 0 | 0 | 113.1 | F117 F175 Y178 F179 L483 W486 W487 | F117-M490 HydrophobicContact CE2-SD 4.39Å; F175-M490 HydrophobicContact CE1-CE 4.41Å; Y178-M490 HydrophobicContact CD1-CG 4.22Å; Y178-M490 HydrophobicContact CD1-SD 4.4Å; Y178-M490 HydrophobicContact CE1-CB 4.49Å; Y178-M490 HydrophobicContact CE1-CG 3.66Å; Y178-M490 HydrophobicContact CE1-SD 4.37Å; Y178-M490 HydrophobicContact CE2-CG 4.36Å; Y178-M490 WeakPolarHBondContact OH-CA 3.44Å; F179-M490 HydrophobicContact CE2-CG 4.45Å; F179-M490 HydrophobicContact CE2-SD 3.9Å; F179-M490 HydrophobicContact CZ-CG 3.71Å; F179-M490 HydrophobicContact CZ-SD 3.75Å; L483-M490 HydrophobicContact CD1-CE 3.89Å; W486-M490 HydrophobicContact CB-CE 4.28Å; W486-M490 HydrophobicContact CB-CG 4.46Å; W486-M490 WeakPolarHBondContact O-CG 3.17Å; W486-M490 PolarHBondContact O-N 3.27Å; W487-M490 PolarHBondContact O-N 3.45Å |
| 491 | V | 88.4 | Confident | 93.9 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -114.1 | -27.2 | -170.2 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | W487 Y493 L566 | W487-V491 HydrophobicContact CD2-CB 4.47Å; W487-V491 HydrophobicContact CD2-CG2 3.97Å; W487-V491 HydrophobicContact CE3-CG2 3.92Å; W487-V491 HydrophobicContact CH2-CG2 3.93Å; W487-V491 HydrophobicContact CZ2-CB 4.41Å; W487-V491 HydrophobicContact CZ2-CG1 4.29Å; W487-V491 HydrophobicContact CZ2-CG2 3.96Å; W487-V491 HydrophobicContact CZ3-CG2 3.89Å; W487-V491 PolarHBondContact O-N 2.82Å; V491-Y493 HydrophobicContact CG1-CD2 3.49Å; V491-Y493 VanDerWaalsContact CG1-CD2 3.49Å; V491-Y493 HydrophobicContact CG1-CE2 4.05Å; V491-Y493 HydrophobicContact CG1-CG 4.26Å; V491-L566 HydrophobicContact CG1-CD2 3.51Å |
| 492 | G | 88.7 | Confident | 94 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 89.3 | 1.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P488 V572 | P488-G492 WeakPolarHBondContact O-CA 3.44Å; P488-G492 PolarHBondContact O-N 3.08Å; G492-V572 PolarHBondContact O-N 3Å |
| 493 | Y | 91.1 | Very high | 94.1 | Very high | 63 Ų | 63 | 45.4 Ų | 45.4 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -114 | 150.7 | -178.6 | -57.2 | -45.3 | 0 | 0 | 0 | 112.8 | P488 V491 S565 L566 G569 N570 R571 | P488-Y493 WeakPolarHBondContact CA-O 3.28Å; V491-Y493 HydrophobicContact CG1-CD2 3.49Å; V491-Y493 VanDerWaalsContact CG1-CD2 3.49Å; V491-Y493 HydrophobicContact CG1-CE2 4.05Å; V491-Y493 HydrophobicContact CG1-CG 4.26Å; Y493-S565 WeakPolarHBondContact CB-OG 3.4Å; Y493-L566 HydrophobicContact CD2-CD2 4.18Å; Y493-L566 HydrophobicContact CE2-CD2 4.35Å; Y493-G569 VanDerWaalsContact CD1-C 3.48Å; Y493-G569 WeakPolarHBondContact CD1-O 3.23Å; Y493-G569 WeakPolarHBondContact CE1-O 3.41Å; Y493-N570 CarbonylContact C-O 3.53Å; Y493-N570 VanDerWaalsContact CA-O 3.25Å; Y493-N570 WeakPolarHBondContact CA-O 3.44Å; Y493-R571 HydrophobicContact CD1-CG 4.05Å; Y493-R571 HydrophobicContact CE1-CG 3.77Å |
| 494 | S | 93.8 | Very high | 94.2 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -83.4 | 150.3 | 174.1 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | S565 N570 | S494-S565 PolarHBondContact O-OG 3.27Å; S494-N570 PolarHBondContact N-O 3.03Å; S494-N570 VanDerWaalsContact OG-CB 3.23Å; S494-N570 WeakPolarHBondContact OG-CB 3.37Å; S494-N570 PolarHBondContact OG-O 3.36Å |
| 495 | L | 94.8 | Very high | 94.3 | Very high | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 146 | 168.2 | -63.4 | 178 | 0 | 0 | 0 | 110.9 | V484 W487 K497 L500 I561 L562 | V484-L495 HydrophobicContact CB-CD1 4.17Å; V484-L495 HydrophobicContact CG1-CD1 4.23Å; V484-L495 HydrophobicContact CG2-CD1 3.9Å; W487-L495 HydrophobicContact CB-CD1 4.01Å; W487-L495 HydrophobicContact CB-CG 4.21Å; W487-L495 VanDerWaalsContact CD1-CG 3.48Å; W487-L495 HydrophobicContact CD2-CD2 4.11Å; W487-L495 HydrophobicContact CG-CD1 4.09Å; W487-L495 HydrophobicContact CG-CD2 3.8Å; W487-L495 HydrophobicContact CG-CG 3.87Å; L495-K497 PolarHBondContact O-N 2.76Å; L495-L500 HydrophobicContact CB-CD1 3.68Å; L495-L500 HydrophobicContact CB-CG 4.3Å; L495-L500 HydrophobicContact CD1-CD1 4.16Å; L495-L500 HydrophobicContact CD1-CD2 4.26Å; L495-I561 HydrophobicContact CB-CG2 4.44Å; L495-I561 HydrophobicContact CD2-CG2 3.88Å; L495-L562 HydrophobicContact CD2-CD2 4.3Å |
| 496 | N | 95.5 | Very high | 94.5 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 119 | 176 | -172.7 | -45 | 0 | 0 | 0 | 111.7 | Y498 L499 L500 | N496-Y498 PolarHBondContact O-N 3.27Å; N496-Y498 PolarHBondContact OD1-N 2.8Å; N496-L499 HydrophobicContact CB-CB 4.11Å; N496-L499 HydrophobicContact CB-CD1 3.83Å; N496-L499 HydrophobicContact CB-CG 3.92Å; N496-L499 PolarHBondContact O-N 3.01Å; N496-L499 PolarHBondContact OD1-N 3.39Å; N496-L500 WeakPolarHBondContact O-CG 3.46Å; N496-L500 PolarHBondContact O-N 3.27Å |
| 497 | K | 94.6 | Very high | 94.6 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 39% | 0.391 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.4 | -41.8 | -176.8 | -172.1 | 179.1 | 177.4 | 179.8 | 0 | 113.6 | L424 P426 L495 L500 Q501 | L424-K497 WeakPolarHBondContact O-CE 3.5Å; L424-K497 PolarHBondContact O-NZ 3.03Å; P426-K497 HydrophobicContact CG-CG 4.11Å; L495-K497 PolarHBondContact O-N 2.76Å; K497-L500 PolarHBondContact O-N 2.77Å; K497-Q501 WeakPolarHBondContact O-CG 3.47Å; K497-Q501 PolarHBondContact O-N 2.85Å |
| 498 | Y | 96.7 | Very high | 94.8 | Very high | 177 Ų | 177 | 48.2 Ų | 48.2 | 69% | 0.694 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -72.2 | -38 | -177.3 | -60.2 | -68.3 | 0 | 0 | 0 | 111.5 | N496 L500 Q501 G502 | N496-Y498 PolarHBondContact O-N 3.27Å; N496-Y498 PolarHBondContact OD1-N 2.8Å; Y498-L500 VanDerWaalsContact C-N 3.32Å; Y498-L500 PolarHBondContact O-N 3.1Å; Y498-Q501 PolarHBondContact O-N 2.76Å; Y498-G502 PolarHBondContact O-N 2.92Å |
| 499 | L | 97.8 | Very high | 95 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 173.4 | -62.3 | -178.9 | 0 | 0 | 0 | 111.3 | N496 G502 H503 F560 I561 E564 | N496-L499 HydrophobicContact CB-CB 4.11Å; N496-L499 HydrophobicContact CB-CD1 3.83Å; N496-L499 HydrophobicContact CB-CG 3.92Å; N496-L499 PolarHBondContact O-N 3.01Å; N496-L499 PolarHBondContact OD1-N 3.39Å; L499-G502 PolarHBondContact O-N 3.22Å; L499-H503 WeakPolarHBondContact O-CB 3.49Å; L499-H503 PolarHBondContact O-N 2.91Å; L499-F560 HydrophobicContact CD1-CD1 4.3Å; L499-F560 HydrophobicContact CD1-CE1 3.87Å; L499-F560 HydrophobicContact CD2-CE1 4.43Å; L499-I561 HydrophobicContact CB-CD1 3.94Å; L499-I561 HydrophobicContact CB-CG1 3.68Å; L499-I561 HydrophobicContact CD1-CG1 4.24Å; L499-I561 WeakPolarHBondContact O-CD1 3.39Å; L499-E564 HydrophobicContact CD1-CG 4.24Å |
| 500 | L | 98.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 175.2 | -74.1 | 173.9 | 0 | 0 | 0 | 113.3 | P426 V484 L495 N496 K497 Y498 H503 W504 I561 | P426-L500 HydrophobicContact CB-CB 3.73Å; P426-L500 HydrophobicContact CG-CB 3.83Å; P426-L500 HydrophobicContact CG-CD1 4.01Å; V484-L500 HydrophobicContact CG1-CD1 3.85Å; V484-L500 HydrophobicContact CG1-CD2 4.35Å; V484-L500 HydrophobicContact CG2-CD2 3.6Å; L495-L500 HydrophobicContact CB-CD1 3.68Å; L495-L500 HydrophobicContact CB-CG 4.3Å; L495-L500 HydrophobicContact CD1-CD1 4.16Å; L495-L500 HydrophobicContact CD1-CD2 4.26Å; N496-L500 WeakPolarHBondContact O-CG 3.46Å; N496-L500 PolarHBondContact O-N 3.27Å; K497-L500 PolarHBondContact O-N 2.77Å; Y498-L500 VanDerWaalsContact C-N 3.32Å; Y498-L500 PolarHBondContact O-N 3.1Å; L500-H503 PolarHBondContact O-N 3.25Å; L500-W504 PolarHBondContact O-N 3.45Å; L500-I561 HydrophobicContact CD2-CD1 4.25Å; L500-I561 HydrophobicContact CD2-CG2 4.04Å; L500-I561 HydrophobicContact CG-CG2 4.43Å |
| 501 | Q | 97.7 | Very high | 95.7 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 172.8 | -72.9 | 172.7 | -16 | 0 | 0 | 111.3 | L424 P426 W429 K497 Y498 W504 L505 | L424-Q501 PolarHBondContact O-NE2 2.76Å; P426-Q501 HydrophobicContact CB-CG 4.24Å; W429-Q501 HydrophobicContact CE3-CB 4.29Å; W429-Q501 HydrophobicContact CE3-CG 4.18Å; W429-Q501 HydrophobicContact CH2-CB 4.05Å; W429-Q501 HydrophobicContact CH2-CG 3.87Å; W429-Q501 HydrophobicContact CZ2-CG 4.38Å; W429-Q501 HydrophobicContact CZ3-CB 3.64Å; W429-Q501 HydrophobicContact CZ3-CG 3.75Å; K497-Q501 WeakPolarHBondContact O-CG 3.47Å; K497-Q501 PolarHBondContact O-N 2.85Å; Y498-Q501 PolarHBondContact O-N 2.76Å; Q501-W504 PolarHBondContact O-N 3.49Å; Q501-L505 PolarHBondContact O-N 2.92Å |
| 502 | G | 97.8 | Very high | 96.1 | Very high | 37 Ų | 37 | 44.4 Ų | 44.4 | 38% | 0.381 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y498 L499 W504 L505 L506 | Y498-G502 PolarHBondContact O-N 2.92Å; L499-G502 PolarHBondContact O-N 3.22Å; G502-W504 PolarHBondContact O-N 2.98Å; G502-L505 PolarHBondContact O-N 3.31Å; G502-L506 WeakPolarHBondContact O-CB 3.39Å; G502-L506 PolarHBondContact O-N 3.04Å |
| 503 | H | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 175 | 178.1 | -123.5 | 0 | 0 | 0 | 111.7 | W430 L499 L500 L506 S507 S554 V557 I561 | W430-H503 AromaticContact CH2-CE1 3.94Å; W430-H503 AromaticContact CZ2-CE1 3.55Å; W430-H503 AromaticContact CZ2-ND1 3.42Å; W430-H503 WeakPolarHBondContact CZ2-ND1 3.42Å; L499-H503 WeakPolarHBondContact O-CB 3.49Å; L499-H503 PolarHBondContact O-N 2.91Å; L500-H503 PolarHBondContact O-N 3.25Å; H503-L506 PolarHBondContact O-N 3.36Å; H503-S507 VanDerWaalsContact O-CB 3.28Å; H503-S507 WeakPolarHBondContact O-CB 3.2Å; H503-S507 PolarHBondContact O-N 3.14Å; H503-S507 PolarHBondContact O-OG 2.98Å; H503-S554 PolarHBondContact CD2-O 3.39Å; H503-S554 PolarHBondContact CD2-OG 3.49Å; H503-S554 PolarHBondContact NE2-O 2.91Å; H503-S554 PolarHBondContact NE2-OG 3.35Å; H503-V557 HydrophobicContact CB-CG1 3.99Å; H503-I561 HydrophobicContact CB-CD1 3.65Å |
| 504 | W | 97.4 | Very high | 96.7 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 20% | 0.201 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 175.2 | -179.3 | 91.6 | 0 | 0 | 0 | 111.9 | W429 W430 L500 Q501 G502 L506 S507 M508 | W429-W504 HydrophobicContact CB-CD2 3.86Å; W429-W504 HydrophobicContact CB-CG 3.92Å; W429-W504 HydrophobicContact CB-CZ2 4.27Å; W429-W504 HydrophobicContact CD2-CD2 4.44Å; W429-W504 HydrophobicContact CD2-CE3 4.34Å; W429-W504 HydrophobicContact CE3-CB 4.27Å; W429-W504 AromaticContact CE3-CD2 3.79Å; W429-W504 HydrophobicContact CE3-CD2 3.79Å; W429-W504 AromaticContact CE3-CE3 3.48Å; W429-W504 HydrophobicContact CE3-CE3 3.48Å; W429-W504 VanDerWaalsContact CE3-CE3 3.48Å; W429-W504 HydrophobicContact CE3-CG 4.13Å; W429-W504 HydrophobicContact CE3-CZ3 4.09Å; W429-W504 HydrophobicContact CZ3-CE3 4.02Å; W429-W504 PolarHBondContact O-NE1 3.01Å; W430-W504 AromaticContact CD1-CD1 3.88Å; W430-W504 AromaticContact CD2-CD1 3.7Å; W430-W504 AromaticContact CE2-CD1 3.75Å; W430-W504 AromaticContact CG-CD1 3.77Å; W430-W504 HydrophobicContact CZ2-CB 4.21Å; W430-W504 AromaticContact NE1-CD1 3.85Å; L500-W504 PolarHBondContact O-N 3.45Å; Q501-W504 PolarHBondContact O-N 3.49Å; G502-W504 PolarHBondContact O-N 2.98Å; W504-L506 PolarHBondContact O-N 2.7Å; W504-S507 PolarHBondContact O-N 3.46Å; W504-M508 HydrophobicContact CD2-CG 3.79Å; W504-M508 VanDerWaalsContact CE2-CG 3.44Å; W504-M508 HydrophobicContact CE3-CG 4.3Å; W504-M508 HydrophobicContact CG-CG 4.24Å; W504-M508 HydrophobicContact CH2-CG 4.21Å; W504-M508 HydrophobicContact CZ2-CG 3.69Å; W504-M508 HydrophobicContact CZ3-CG 4.49Å; W504-M508 VanDerWaalsContact NE1-CE 3.34Å; W504-M508 WeakPolarHBondContact O-CB 3.32Å; W504-M508 VanDerWaalsContact O-CG 3.24Å; W504-M508 WeakPolarHBondContact O-CG 3.17Å; W504-M508 PolarHBondContact O-N 3.26Å |
| 505 | L | 97.3 | Very high | 96.9 | Very high | 93 Ų | 93 | 41.7 Ų | 41.7 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 179.1 | -77.7 | 168.7 | 0 | 0 | 0 | 111.5 | W429 Q501 G502 M508 V509 | W429-L505 HydrophobicContact CZ3-CG 4.46Å; Q501-L505 PolarHBondContact O-N 2.92Å; G502-L505 PolarHBondContact O-N 3.31Å; L505-M508 PolarHBondContact O-N 2.79Å; L505-V509 WeakPolarHBondContact O-CB 3.26Å; L505-V509 VanDerWaalsContact O-CG2 3.28Å; L505-V509 WeakPolarHBondContact O-CG2 3.36Å; L505-V509 PolarHBondContact O-N 2.93Å |
| 506 | L | 97.9 | Very high | 97 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.199 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | -180 | -178.9 | 61.1 | 0 | 0 | 0 | 112 | G502 H503 W504 G510 L550 V553 V557 | G502-L506 WeakPolarHBondContact O-CB 3.39Å; G502-L506 PolarHBondContact O-N 3.04Å; H503-L506 PolarHBondContact O-N 3.36Å; W504-L506 PolarHBondContact O-N 2.7Å; L506-G510 PolarHBondContact O-N 2.96Å; L506-L550 HydrophobicContact CD1-CB 4.06Å; L506-L550 HydrophobicContact CD1-CD2 3.73Å; L506-L550 HydrophobicContact CD1-CG 4.43Å; L506-V553 HydrophobicContact CD2-CB 4.37Å; L506-V553 HydrophobicContact CD2-CG1 3.93Å; L506-V557 HydrophobicContact CD2-CG2 3.86Å |
| 507 | S | 96.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -54.6 | 174 | -78.8 | 0 | 0 | 0 | 0 | 111.5 | W430 H503 W504 V509 G510 F511 S554 | W430-S507 WeakPolarHBondContact CH2-OG 3.38Å; H503-S507 VanDerWaalsContact O-CB 3.28Å; H503-S507 WeakPolarHBondContact O-CB 3.2Å; H503-S507 PolarHBondContact O-N 3.14Å; H503-S507 PolarHBondContact O-OG 2.98Å; W504-S507 PolarHBondContact O-N 3.46Å; S507-V509 PolarHBondContact O-N 2.95Å; S507-G510 PolarHBondContact O-N 3.36Å; S507-F511 WeakPolarHBondContact O-CB 3.32Å; S507-F511 WeakPolarHBondContact O-CD2 3.5Å; S507-F511 WeakPolarHBondContact O-CG 3.49Å; S507-F511 PolarHBondContact O-N 3.13Å; S507-S554 PolarHBondContact OG-OG 2.89Å |
| 508 | M | 96.3 | Very high | 97.3 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | -174.3 | -66.6 | -57.8 | 158.4 | 0 | 0 | 111.9 | W430 L437 W504 L505 N512 | W430-M508 HydrophobicContact CE3-CE 3.9Å; W430-M508 HydrophobicContact CZ3-CE 3.85Å; L437-M508 HydrophobicContact CD1-CE 4.45Å; L437-M508 HydrophobicContact CD1-SD 3.4Å; L437-M508 WeakPolarHBondContact CD1-SD 3.09Å; W504-M508 HydrophobicContact CD2-CG 3.79Å; W504-M508 VanDerWaalsContact CE2-CG 3.44Å; W504-M508 HydrophobicContact CE3-CG 4.3Å; W504-M508 HydrophobicContact CG-CG 4.24Å; W504-M508 HydrophobicContact CH2-CG 4.21Å; W504-M508 HydrophobicContact CZ2-CG 3.69Å; W504-M508 HydrophobicContact CZ3-CG 4.49Å; W504-M508 VanDerWaalsContact NE1-CE 3.34Å; W504-M508 WeakPolarHBondContact O-CB 3.32Å; W504-M508 VanDerWaalsContact O-CG 3.24Å; W504-M508 WeakPolarHBondContact O-CG 3.17Å; W504-M508 PolarHBondContact O-N 3.26Å; L505-M508 PolarHBondContact O-N 2.79Å; M508-N512 WeakPolarHBondContact O-CB 3.28Å; M508-N512 PolarHBondContact O-N 3.5Å; M508-N512 PolarHBondContact O-ND2 3.02Å |
| 509 | V | 97.2 | Very high | 97.3 | Very high | 74 Ų | 74 | 33.3 Ų | 33.3 | 45% | 0.448 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.3 | -48.1 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | L505 S507 L513 L550 | L505-V509 WeakPolarHBondContact O-CB 3.26Å; L505-V509 VanDerWaalsContact O-CG2 3.28Å; L505-V509 WeakPolarHBondContact O-CG2 3.36Å; L505-V509 PolarHBondContact O-N 2.93Å; S507-V509 PolarHBondContact O-N 2.95Å; V509-L513 HydrophobicContact CG1-CD1 3.63Å; V509-L513 HydrophobicContact CG1-CG 4.27Å; V509-L513 VanDerWaalsContact O-CB 3.3Å; V509-L513 WeakPolarHBondContact O-CB 3.5Å; V509-L513 VanDerWaalsContact O-CG 3.31Å; V509-L513 WeakPolarHBondContact O-CG 3.38Å; V509-L513 PolarHBondContact O-N 3.43Å; V509-L550 HydrophobicContact CG1-CD1 4.11Å |
| 510 | G | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -50.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L506 S507 L513 C514 G547 S551 | L506-G510 PolarHBondContact O-N 2.96Å; S507-G510 PolarHBondContact O-N 3.36Å; G510-L513 PolarHBondContact O-N 3.37Å; G510-C514 VanDerWaalsContact O-CB 3.26Å; G510-C514 WeakPolarHBondContact O-CB 3.34Å; G510-C514 PolarHBondContact O-N 2.8Å; G510-G547 CarbonylContact C-O 3.56Å; G510-G547 CarbonylContact O-C 3.57Å; G510-G547 VanDerWaalsContact O-CA 3.26Å; G510-G547 WeakPolarHBondContact O-CA 3.27Å; G510-G547 VanDerWaalsContact O-O 3.11Å; G510-S551 PolarHBondContact O-OG 3.47Å |
| 511 | F | 95.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 4% | 0.044 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.6 | -43.2 | -177.9 | -60.8 | -38.1 | 0 | 0 | 0 | 112.7 | L473 Y476 S507 C514 F515 S551 | L473-F511 HydrophobicContact CD1-CB 4.11Å; L473-F511 HydrophobicContact CD2-CB 3.36Å; L473-F511 HydrophobicContact CD2-CD2 3.16Å; L473-F511 HydrophobicContact CD2-CE2 4.08Å; L473-F511 HydrophobicContact CD2-CG 3.51Å; L473-F511 HydrophobicContact CG-CB 4Å; L473-F511 HydrophobicContact CG-CD2 4.37Å; L473-F511 HydrophobicContact CG-CG 4.36Å; Y476-F511 AromaticContact CD1-CE2 3.94Å; Y476-F511 HydrophobicContact CD1-CE2 3.94Å; Y476-F511 AromaticContact CD1-CZ 3.72Å; Y476-F511 HydrophobicContact CD1-CZ 3.72Å; Y476-F511 AromaticContact CE1-CE2 3.68Å; Y476-F511 HydrophobicContact CE1-CE2 3.68Å; Y476-F511 AromaticContact CE1-CZ 3.37Å; Y476-F511 HydrophobicContact CE1-CZ 3.37Å; S507-F511 WeakPolarHBondContact O-CB 3.32Å; S507-F511 WeakPolarHBondContact O-CD2 3.5Å; S507-F511 WeakPolarHBondContact O-CG 3.49Å; S507-F511 PolarHBondContact O-N 3.13Å; F511-C514 PolarHBondContact O-N 3.29Å; F511-F515 HydrophobicContact CB-CD2 4.39Å; F511-F515 HydrophobicContact CD1-CE2 4.29Å; F511-F515 VanDerWaalsContact O-CD2 3.24Å; F511-F515 WeakPolarHBondContact O-CD2 3.47Å; F511-F515 PolarHBondContact O-N 3.2Å; F511-S551 WeakPolarHBondContact CD1-OG 3.35Å; F511-S551 PolarHBondContact N-OG 2.87Å |
| 512 | N | 96.7 | Very high | 97.2 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.1 | -43.3 | 178 | -78.2 | -80.8 | 0 | 0 | 0 | 111.4 | L437 Y469 M508 C514 F516 P517 | L437-N512 WeakPolarHBondContact CD2-ND2 3.36Å; L437-N512 WeakPolarHBondContact CD2-OD1 3.19Å; Y469-N512 PolarHBondContact OH-OD1 3.41Å; M508-N512 WeakPolarHBondContact O-CB 3.28Å; M508-N512 PolarHBondContact O-N 3.5Å; M508-N512 PolarHBondContact O-ND2 3.02Å; N512-C514 PolarHBondContact O-N 2.85Å; N512-F516 WeakPolarHBondContact O-CA 3.21Å; N512-F516 WeakPolarHBondContact O-CB 3.33Å; N512-F516 PolarHBondContact O-N 2.9Å; N512-P517 WeakPolarHBondContact O-CD 3.44Å |
| 513 | L | 97.2 | Very high | 97.2 | Very high | 54 Ų | 54 | 37.3 Ų | 37.3 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.5 | -36.3 | 175.1 | -75 | 176.9 | 0 | 0 | 0 | 111.8 | V509 G510 P517 S544 L550 | V509-L513 HydrophobicContact CG1-CD1 3.63Å; V509-L513 HydrophobicContact CG1-CG 4.27Å; V509-L513 VanDerWaalsContact O-CB 3.3Å; V509-L513 WeakPolarHBondContact O-CB 3.5Å; V509-L513 VanDerWaalsContact O-CG 3.31Å; V509-L513 WeakPolarHBondContact O-CG 3.38Å; V509-L513 PolarHBondContact O-N 3.43Å; G510-L513 PolarHBondContact O-N 3.37Å; L513-P517 WeakPolarHBondContact O-CD 3.4Å; L513-P517 VanDerWaalsContact O-CG 3.3Å; L513-P517 WeakPolarHBondContact O-CG 3.22Å; L513-S544 VanDerWaalsContact O-CA 3.29Å; L513-S544 WeakPolarHBondContact O-CA 3.25Å; L513-L550 HydrophobicContact CD1-CD1 4Å |
| 514 | C | 97 | Very high | 97.1 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -58.4 | 178.7 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | G510 F511 N512 S544 | G510-C514 VanDerWaalsContact O-CB 3.26Å; G510-C514 WeakPolarHBondContact O-CB 3.34Å; G510-C514 PolarHBondContact O-N 2.8Å; F511-C514 PolarHBondContact O-N 3.29Å; N512-C514 PolarHBondContact O-N 2.85Å; C514-S544 VanDerWaalsContact O-CB 3.3Å; C514-S544 WeakPolarHBondContact O-CB 3.25Å; C514-S544 PolarHBondContact O-OG 3.29Å |
| 515 | F | 97.4 | Very high | 97 | Very high | 20 Ų | 20 | 41 Ų | 41 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -100 | -27.6 | -162.7 | -58 | -61.2 | 0 | 0 | 0 | 114 | A465 H468 Y469 F511 M518 | A465-F515 WeakPolarHBondContact CB-O 2.95Å; H468-F515 HydrophobicContact CB-CB 4.44Å; H468-F515 HydrophobicContact CB-CD1 3.49Å; H468-F515 VanDerWaalsContact CB-CD1 3.49Å; H468-F515 HydrophobicContact CB-CD2 3.85Å; H468-F515 HydrophobicContact CB-CE1 3.55Å; H468-F515 HydrophobicContact CB-CE2 3.9Å; H468-F515 HydrophobicContact CB-CG 3.66Å; H468-F515 HydrophobicContact CB-CZ 3.76Å; H468-F515 AromaticContact CD2-CE1 3.31Å; H468-F515 WeakPolarHBondContact CD2-CE1 3.39Å; H468-F515 AromaticContact CD2-CZ 3.29Å; H468-F515 WeakPolarHBondContact CD2-CZ 3.39Å; H468-F515 AromaticContact CG-CD1 3.68Å; H468-F515 AromaticContact CG-CE1 3.28Å; H468-F515 AromaticContact CG-CZ 3.62Å; H468-F515 AromaticContact ND1-CE1 3.87Å; H468-F515 AromaticContact NE2-CE1 3.91Å; Y469-F515 HydrophobicContact CD2-CB 4Å; Y469-F515 HydrophobicContact CE2-CB 3.68Å; F511-F515 HydrophobicContact CB-CD2 4.39Å; F511-F515 HydrophobicContact CD1-CE2 4.29Å; F511-F515 VanDerWaalsContact O-CD2 3.24Å; F511-F515 WeakPolarHBondContact O-CD2 3.47Å; F511-F515 PolarHBondContact O-N 3.2Å; F515-M518 HydrophobicContact CD1-CE 4.24Å; F515-M518 HydrophobicContact CD1-SD 3.85Å; F515-M518 WeakPolarHBondContact O-CB 3.4Å; F515-M518 PolarHBondContact O-N 2.97Å |
| 516 | F | 97.2 | Very high | 97 | Very high | 123 Ų | 123 | 37.1 Ų | 37.1 | 54% | 0.539 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 179.4 | -168.3 | -106 | 0 | 0 | 0 | 112.2 | Y469 N512 M518 H519 | Y469-F516 VanDerWaalsContact OH-CB 3.27Å; Y469-F516 WeakPolarHBondContact OH-CB 3.15Å; Y469-F516 WeakPolarHBondContact OH-CD2 3.47Å; N512-F516 WeakPolarHBondContact O-CA 3.21Å; N512-F516 WeakPolarHBondContact O-CB 3.33Å; N512-F516 PolarHBondContact O-N 2.9Å; F516-M518 PolarHBondContact O-N 2.89Å; F516-M518 VanDerWaalsContact O-N 3.17Å; F516-H519 PolarHBondContact O-N 2.9Å; F516-H519 VanDerWaalsContact O-N 3.15Å; F516-H519 PolarHBondContact O-ND1 2.59Å |
| 517 | P | 97.8 | Very high | 96.9 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -21.1 | -179.4 | -17.6 | 31.7 | 0 | 0 | 0 | 113.3 | N512 L513 H519 Y520 L521 V540 | N512-P517 WeakPolarHBondContact O-CD 3.44Å; L513-P517 WeakPolarHBondContact O-CD 3.4Å; L513-P517 VanDerWaalsContact O-CG 3.3Å; L513-P517 WeakPolarHBondContact O-CG 3.22Å; P517-H519 PolarHBondContact O-N 3.16Å; P517-Y520 WeakPolarHBondContact O-CB 3.45Å; P517-Y520 PolarHBondContact O-N 3.14Å; P517-Y520 VanDerWaalsContact O-N 3.14Å; P517-L521 WeakPolarHBondContact O-CG 3.36Å; P517-L521 PolarHBondContact O-N 3.2Å; P517-L521 VanDerWaalsContact O-N 3.11Å; P517-V540 HydrophobicContact CB-CG1 3.54Å |
| 518 | M | 97.4 | Very high | 96.8 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 5% | 0.054 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.4 | -23.7 | 177.2 | -65.7 | -178.4 | -179.6 | 0 | 0 | 112.9 | W461 V464 A465 F515 F516 G522 | W461-M518 CarbonylContact C-O 3.52Å; W461-M518 HydrophobicContact CB-CB 4.37Å; W461-M518 HydrophobicContact CE3-CB 4.39Å; W461-M518 HydrophobicContact CE3-CG 3.96Å; V464-M518 HydrophobicContact CG1-SD 4Å; A465-M518 HydrophobicContact CB-CB 3.7Å; F515-M518 HydrophobicContact CD1-CE 4.24Å; F515-M518 HydrophobicContact CD1-SD 3.85Å; F515-M518 WeakPolarHBondContact O-CB 3.4Å; F515-M518 PolarHBondContact O-N 2.97Å; F516-M518 PolarHBondContact O-N 2.89Å; F516-M518 VanDerWaalsContact O-N 3.17Å; M518-G522 PolarHBondContact O-N 3.44Å |
| 519 | H | 97.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 170.7 | -64.9 | 99.6 | 0 | 0 | 0 | 110.9 | T444 F462 A465 Y469 F516 P517 G522 M523 | T444-H519 WeakPolarHBondContact CG2-NE2 3.28Å; F462-H519 HydrophobicContact CD2-CB 4.18Å; F462-H519 HydrophobicContact CE2-CB 4.23Å; F462-H519 AromaticContact CE2-CD2 3.94Å; A465-H519 WeakPolarHBondContact CB-CE1 3.24Å; A465-H519 WeakPolarHBondContact CB-NE2 3.32Å; Y469-H519 AromaticContact CD2-CE1 3.7Å; Y469-H519 AromaticContact CE2-CE1 3.68Å; F516-H519 PolarHBondContact O-N 2.9Å; F516-H519 VanDerWaalsContact O-N 3.15Å; F516-H519 PolarHBondContact O-ND1 2.59Å; P517-H519 PolarHBondContact O-N 3.16Å; H519-G522 PolarHBondContact O-N 2.83Å; H519-M523 WeakPolarHBondContact O-CG 3.43Å; H519-M523 PolarHBondContact O-N 2.72Å |
| 520 | Y | 97.5 | Very high | 96.3 | Very high | 106 Ų | 106 | 41.9 Ų | 41.9 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.6 | -50.9 | 175.6 | 171.7 | -94.5 | 0 | 0 | 0 | 110.9 | P517 G522 M523 H524 Y537 V540 | P517-Y520 WeakPolarHBondContact O-CB 3.45Å; P517-Y520 PolarHBondContact O-N 3.14Å; P517-Y520 VanDerWaalsContact O-N 3.14Å; Y520-G522 VanDerWaalsContact C-N 3.26Å; Y520-G522 PolarHBondContact O-N 2.72Å; Y520-M523 PolarHBondContact O-N 3.48Å; Y520-M523 VanDerWaalsContact O-N 3.13Å; Y520-H524 AromaticContact CD1-CD2 3.97Å; Y520-H524 AromaticContact CD2-CD2 3.92Å; Y520-H524 AromaticContact CD2-NE2 3.88Å; Y520-H524 AromaticContact CE1-CD2 3.61Å; Y520-H524 AromaticContact CE1-NE2 3.87Å; Y520-H524 AromaticContact CE2-CD2 3.57Å; Y520-H524 AromaticContact CE2-NE2 3.15Å; Y520-H524 WeakPolarHBondContact CE2-NE2 3.46Å; Y520-H524 AromaticContact CZ-CD2 3.4Å; Y520-H524 AromaticContact CZ-NE2 3.14Å; Y520-H524 PolarHBondContact O-CD2 3.22Å; Y520-H524 VanDerWaalsContact O-CD2 3.24Å; Y520-H524 PolarHBondContact O-N 3.45Å; Y520-H524 VanDerWaalsContact O-N 3.17Å; Y520-H524 PolarHBondContact OH-NE2 2.76Å; Y520-Y537 HydrophobicContact CE1-CD1 4.21Å; Y520-Y537 HydrophobicContact CE1-CE1 4.31Å; Y520-V540 HydrophobicContact CD1-CG1 4.13Å; Y520-V540 HydrophobicContact CD1-CG2 4.34Å; Y520-V540 HydrophobicContact CE1-CG2 4.17Å |
| 521 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.6 | -37.7 | 178.3 | -63.2 | 176.9 | 0 | 0 | 0 | 112.3 | W461 P517 H524 G525 L526 Y537 V540 N541 | W461-L521 HydrophobicContact CB-CB 4.44Å; W461-L521 HydrophobicContact CD2-CB 4.43Å; W461-L521 HydrophobicContact CE3-CB 3.78Å; W461-L521 HydrophobicContact CE3-CD1 3.46Å; W461-L521 VanDerWaalsContact CE3-CD1 3.46Å; W461-L521 HydrophobicContact CE3-CG 4.25Å; W461-L521 HydrophobicContact CH2-CD1 4.43Å; W461-L521 HydrophobicContact CZ3-CB 4.42Å; W461-L521 HydrophobicContact CZ3-CD1 3.31Å; W461-L521 HydrophobicContact CZ3-CG 4.46Å; P517-L521 WeakPolarHBondContact O-CG 3.36Å; P517-L521 PolarHBondContact O-N 3.2Å; P517-L521 VanDerWaalsContact O-N 3.11Å; L521-H524 PolarHBondContact O-N 3.12Å; L521-G525 PolarHBondContact O-N 3.35Å; L521-L526 HydrophobicContact CB-CD1 4.42Å; L521-L526 HydrophobicContact CB-CD2 4.24Å; L521-L526 HydrophobicContact CD2-CD2 4.31Å; L521-L526 WeakPolarHBondContact O-CB 3.23Å; L521-L526 VanDerWaalsContact O-CD1 3.23Å; L521-L526 WeakPolarHBondContact O-CD1 3.39Å; L521-L526 PolarHBondContact O-N 3.33Å; L521-Y537 HydrophobicContact CD2-CD1 3.41Å; L521-Y537 VanDerWaalsContact CD2-CD1 3.41Å; L521-Y537 HydrophobicContact CD2-CE1 4.36Å; L521-Y537 HydrophobicContact CD2-CG 3.71Å; L521-V540 HydrophobicContact CD1-CG1 4.04Å; L521-V540 HydrophobicContact CD2-CB 4.13Å; L521-V540 HydrophobicContact CD2-CG1 3.94Å; L521-V540 HydrophobicContact CG-CG1 3.92Å; L521-N541 HydrophobicContact CD1-CB 4.31Å |
| 522 | G | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T460 F462 M518 H519 Y520 H524 G525 | T460-G522 PolarHBondContact OG1-O 2.97Å; F462-G522 VanDerWaalsContact N-CA 3.31Å; M518-G522 PolarHBondContact O-N 3.44Å; H519-G522 PolarHBondContact O-N 2.83Å; Y520-G522 VanDerWaalsContact C-N 3.26Å; Y520-G522 PolarHBondContact O-N 2.72Å; G522-H524 PolarHBondContact O-N 3.19Å; G522-G525 PolarHBondContact O-N 3.35Å |
| 523 | M | 96.9 | Very high | 95.9 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 51% | 0.512 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.3 | -25.7 | 174.5 | -69.4 | -173.9 | -66.9 | 0 | 0 | 112.4 | F457 F462 H519 Y520 G525 | F457-M523 HydrophobicContact CD1-CG 4.41Å; F457-M523 HydrophobicContact CE1-CB 4.34Å; F457-M523 HydrophobicContact CE1-CG 3.72Å; F457-M523 HydrophobicContact CZ-CG 4.23Å; F462-M523 HydrophobicContact CD2-CG 3.82Å; F462-M523 HydrophobicContact CE2-CG 4.05Å; F462-M523 HydrophobicContact CE2-SD 4.45Å; H519-M523 WeakPolarHBondContact O-CG 3.43Å; H519-M523 PolarHBondContact O-N 2.72Å; Y520-M523 PolarHBondContact O-N 3.48Å; Y520-M523 VanDerWaalsContact O-N 3.13Å; M523-G525 PolarHBondContact O-N 3.3Å |
| 524 | H | 96.4 | Very high | 95.8 | Very high | 90 Ų | 90 | 44 Ų | 44 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 6.6 | 172.1 | -77.8 | -74.2 | 0 | 0 | 0 | 114 | Y520 L521 G522 L526 Y537 | Y520-H524 AromaticContact CD1-CD2 3.97Å; Y520-H524 AromaticContact CD2-CD2 3.92Å; Y520-H524 AromaticContact CD2-NE2 3.88Å; Y520-H524 AromaticContact CE1-CD2 3.61Å; Y520-H524 AromaticContact CE1-NE2 3.87Å; Y520-H524 AromaticContact CE2-CD2 3.57Å; Y520-H524 AromaticContact CE2-NE2 3.15Å; Y520-H524 WeakPolarHBondContact CE2-NE2 3.46Å; Y520-H524 AromaticContact CZ-CD2 3.4Å; Y520-H524 AromaticContact CZ-NE2 3.14Å; Y520-H524 PolarHBondContact O-CD2 3.22Å; Y520-H524 VanDerWaalsContact O-CD2 3.24Å; Y520-H524 PolarHBondContact O-N 3.45Å; Y520-H524 VanDerWaalsContact O-N 3.17Å; Y520-H524 PolarHBondContact OH-NE2 2.76Å; L521-H524 PolarHBondContact O-N 3.12Å; G522-H524 PolarHBondContact O-N 3.19Å; H524-L526 HydrophobicContact CB-CD1 4.09Å; H524-Y537 HydrophobicContact CB-CE1 3.64Å; H524-Y537 WeakPolarHBondContact CB-OH 3.41Å; H524-Y537 AromaticContact CG-CE1 3.65Å; H524-Y537 AromaticContact CG-CZ 3.98Å |
| 525 | G | 95 | Very high | 95.7 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 42% | 0.423 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 14.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L521 G522 M523 P527 | L521-G525 PolarHBondContact O-N 3.35Å; G522-G525 PolarHBondContact O-N 3.35Å; M523-G525 PolarHBondContact O-N 3.3Å; G525-P527 WeakPolarHBondContact O-CD 3.34Å; G525-P527 VanDerWaalsContact O-N 3.12Å |
| 526 | L | 96.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 53.6 Ų | 53.6 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 116.4 | 176.8 | -84.6 | 77.4 | 0 | 0 | 0 | 109.7 | T460 W461 L521 H524 Y537 | T460-L526 CarbonylContact C-O 3.59Å; T460-L526 VanDerWaalsContact CA-O 3.23Å; T460-L526 WeakPolarHBondContact CA-O 3.21Å; T460-L526 WeakPolarHBondContact CB-O 3.4Å; W461-L526 HydrophobicContact CD2-CB 4.25Å; W461-L526 HydrophobicContact CD2-CD2 4.49Å; W461-L526 HydrophobicContact CG-CB 4.11Å; W461-L526 HydrophobicContact CH2-CD2 4.4Å; W461-L526 HydrophobicContact CZ2-CD2 4.34Å; W461-L526 PolarHBondContact N-O 3.21Å; L521-L526 HydrophobicContact CB-CD1 4.42Å; L521-L526 HydrophobicContact CB-CD2 4.24Å; L521-L526 HydrophobicContact CD2-CD2 4.31Å; L521-L526 WeakPolarHBondContact O-CB 3.23Å; L521-L526 VanDerWaalsContact O-CD1 3.23Å; L521-L526 WeakPolarHBondContact O-CD1 3.39Å; L521-L526 PolarHBondContact O-N 3.33Å; H524-L526 HydrophobicContact CB-CD1 4.09Å; L526-Y537 HydrophobicContact CD1-CD1 4.27Å; L526-Y537 HydrophobicContact CD1-CD2 3.67Å; L526-Y537 HydrophobicContact CD1-CE1 4.17Å; L526-Y537 HydrophobicContact CD1-CE2 3.57Å; L526-Y537 HydrophobicContact CD1-CG 4.04Å; L526-Y537 HydrophobicContact CD2-CD2 4.23Å; L526-Y537 HydrophobicContact CD2-CG 4.38Å; L526-Y537 HydrophobicContact CG-CD2 4.41Å |
| 527 | P | 96 | Very high | 95.5 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 42% | 0.416 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 144.9 | -175.9 | 29.8 | -35.2 | 0 | 0 | 0 | 111.5 | W461 G525 V530 | W461-P527 PolarHBondContact NE1-O 3.06Å; G525-P527 WeakPolarHBondContact O-CD 3.34Å; G525-P527 VanDerWaalsContact O-N 3.12Å; P527-V530 HydrophobicContact CB-CG2 4.03Å; P527-V530 HydrophobicContact CG-CB 4.15Å; P527-V530 HydrophobicContact CG-CG2 3.53Å |
| 528 | R | 94.4 | Very high | 95.4 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 155.9 | 167.8 | 74.7 | -165.1 | -178.2 | 173.2 | -4.6 | 109.8 | D459 V464 V530 | D459-R528 WeakPolarHBondContact O-CG 3.16Å; D459-R528 PolarHBondContact O-N 2.62Å; D459-R528 IonicContact OD1-CZ 3.71Å; D459-R528 IonicContact OD1-NE 2.94Å; D459-R528 PolarHBondContact OD1-NE 3Å; D459-R528 IonicContact OD1-NH2 3.79Å; D459-R528 PolarHBondContact OD1-NH2 3.47Å; V464-R528 HydrophobicContact CG2-CB 3.86Å; R528-V530 VanDerWaalsContact C-N 3.31Å; R528-V530 PolarHBondContact O-N 3.29Å |
| 529 | R | 90.9 | Very high | 95.3 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 25.3 | -179.6 | -50.3 | 166.1 | -173.7 | -170.4 | 0.6 | 114.7 | N152 V155 T222 | N152-R529 PolarHBondContact OD1-O 2.61Å; V155-R529 HydrophobicContact CG1-CG 4.13Å; T222-R529 PolarHBondContact OG1-NH2 2.81Å |
| 530 | V | 93.4 | Very high | 95.2 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | trans | -113.4 | 137.1 | 169.8 | -177 | 0 | 0 | 0 | 0 | 109 | Y151 P527 R528 C532 | Y151-V530 VanDerWaalsContact CE1-C 3.42Å; Y151-V530 VanDerWaalsContact CE1-O 3.28Å; Y151-V530 WeakPolarHBondContact CE1-O 3.25Å; Y151-V530 VanDerWaalsContact CZ-O 3.27Å; Y151-V530 PolarHBondContact OH-O 2.86Å; P527-V530 HydrophobicContact CB-CG2 4.03Å; P527-V530 HydrophobicContact CG-CB 4.15Å; P527-V530 HydrophobicContact CG-CG2 3.53Å; R528-V530 VanDerWaalsContact C-N 3.31Å; R528-V530 PolarHBondContact O-N 3.29Å; V530-C532 WeakPolarHBondContact CG1-O 3.44Å | ||
| 531 | S | 93.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -87.8 | -4.6 | -173.8 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | N137 | N137-S531 PolarHBondContact ND2-O 3.36Å; N137-S531 VanDerWaalsContact ND2-O 3.13Å |
| 532 | C | 93.5 | Very high | 95 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 31% | 0.311 | 29% | 0.287 | S | S | . | . | trans | -134.5 | 166.4 | 177.7 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | Y142 V530 | Y142-C532 HydrophobicContact CD1-CB 3.67Å; Y142-C532 HydrophobicContact CE1-CB 4.21Å; Y142-C532 HydrophobicContact CG-CB 4.37Å; V530-C532 WeakPolarHBondContact CG1-O 3.44Å | ||
| 533 | Y | 94.3 | Very high | 95 | Very high | 9 Ų | 9 | 62.4 Ų | 62.4 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | trans | -153.8 | 165.1 | 179.6 | 62.5 | -80.9 | 0 | 0 | 0 | 108.6 | L138 P141 N541 | L138-Y533 HydrophobicContact CB-CE1 4.39Å; L138-Y533 HydrophobicContact CD2-CD1 4Å; L138-Y533 HydrophobicContact CD2-CE1 4.32Å; L138-Y533 WeakPolarHBondContact O-CE1 3.4Å; L138-Y533 PolarHBondContact O-OH 3.5Å; P141-Y533 HydrophobicContact CB-CD2 4.49Å; P141-Y533 HydrophobicContact CB-CE2 4.13Å; P141-Y533 WeakPolarHBondContact CB-O 2.9Å; P141-Y533 HydrophobicContact CG-CD2 4.47Å; P141-Y533 HydrophobicContact CG-CE2 3.71Å; Y533-N541 WeakPolarHBondContact CE1-ND2 3.3Å; Y533-N541 HydrophobicContact CE2-CB 3.88Å; Y533-N541 PolarHBondContact OH-ND2 3.39Å | ||
| 534 | D | 94.2 | Very high | 95 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | trans | -76.1 | 147.5 | -175.4 | -60.6 | -35.7 | 0 | 0 | 0 | 112.7 | Y142 E536 Y537 | Y142-D534 PolarHBondContact OH-OD1 3.2Å; D534-E536 HydrophobicContact CB-CG 4.25Å; D534-E536 PolarHBondContact O-N 3.26Å; D534-E536 VanDerWaalsContact O-N 3.11Å; D534-Y537 HydrophobicContact CB-CD2 4.11Å; D534-Y537 HydrophobicContact CB-CE2 4.24Å; D534-Y537 PolarHBondContact O-N 2.86Å; D534-Y537 VanDerWaalsContact O-N 3.13Å | ||
| 535 | Q | 94.5 | Very high | 95 | Very high | 107 Ų | 107 | 53.4 Ų | 53.4 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -57.5 | -29.9 | -174.4 | -169 | 72.6 | 25.7 | 0 | 0 | 113.4 | P141 Y537 Y538 | P141-Q535 VanDerWaalsContact CB-OE1 3.29Å; Q535-Y537 PolarHBondContact O-N 2.88Å; Q535-Y537 VanDerWaalsContact O-N 3.15Å; Q535-Y538 VanDerWaalsContact O-CB 3.24Å; Q535-Y538 WeakPolarHBondContact O-CB 3.15Å; Q535-Y538 PolarHBondContact O-N 3.32Å; Q535-Y538 VanDerWaalsContact O-N 3.09Å |
| 536 | E | 96 | Very high | 95.1 | Very high | 119 Ų | 119 | 55.8 Ų | 55.8 | 56% | 0.556 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -60.8 | -24.3 | -178.8 | 64.8 | -177.5 | -179 | 0 | 0 | 113.4 | D534 W539 | D534-E536 HydrophobicContact CB-CG 4.25Å; D534-E536 PolarHBondContact O-N 3.26Å; D534-E536 VanDerWaalsContact O-N 3.11Å; E536-W539 PolarHBondContact O-NE1 2.85Å |
| 537 | Y | 95.6 | Very high | 95.2 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 8% | 0.078 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -94.2 | 3.3 | -180 | -57.7 | -68.5 | 0 | 0 | 0 | 114.1 | Y520 L521 H524 L526 D534 Q535 W539 V540 N541 | Y520-Y537 HydrophobicContact CE1-CD1 4.21Å; Y520-Y537 HydrophobicContact CE1-CE1 4.31Å; L521-Y537 HydrophobicContact CD2-CD1 3.41Å; L521-Y537 VanDerWaalsContact CD2-CD1 3.41Å; L521-Y537 HydrophobicContact CD2-CE1 4.36Å; L521-Y537 HydrophobicContact CD2-CG 3.71Å; H524-Y537 HydrophobicContact CB-CE1 3.64Å; H524-Y537 WeakPolarHBondContact CB-OH 3.41Å; H524-Y537 AromaticContact CG-CE1 3.65Å; H524-Y537 AromaticContact CG-CZ 3.98Å; L526-Y537 HydrophobicContact CD1-CD1 4.27Å; L526-Y537 HydrophobicContact CD1-CD2 3.67Å; L526-Y537 HydrophobicContact CD1-CE1 4.17Å; L526-Y537 HydrophobicContact CD1-CE2 3.57Å; L526-Y537 HydrophobicContact CD1-CG 4.04Å; L526-Y537 HydrophobicContact CD2-CD2 4.23Å; L526-Y537 HydrophobicContact CD2-CG 4.38Å; L526-Y537 HydrophobicContact CG-CD2 4.41Å; D534-Y537 HydrophobicContact CB-CD2 4.11Å; D534-Y537 HydrophobicContact CB-CE2 4.24Å; D534-Y537 PolarHBondContact O-N 2.86Å; D534-Y537 VanDerWaalsContact O-N 3.13Å; Q535-Y537 PolarHBondContact O-N 2.88Å; Q535-Y537 VanDerWaalsContact O-N 3.15Å; Y537-W539 PolarHBondContact O-N 3.12Å; Y537-V540 PolarHBondContact O-N 3.3Å; Y537-N541 WeakPolarHBondContact O-CB 3.5Å; Y537-N541 PolarHBondContact O-N 3.31Å |
| 538 | Y | 95.7 | Very high | 95.2 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -49.1 | -57.2 | -174.5 | 175.9 | -115.1 | 0 | 0 | 0 | 113.5 | C139 D140 P141 Q535 V540 N541 V542 | C139-Y538 WeakPolarHBondContact O-CE2 3.36Å; D140-Y538 HydrophobicContact CB-CE2 4.34Å; D140-Y538 WeakPolarHBondContact OD1-CE2 3.17Å; P141-Y538 VanDerWaalsContact CD-CD2 3.49Å; P141-Y538 HydrophobicContact CG-CD2 3.79Å; P141-Y538 HydrophobicContact CG-CG 4.31Å; Q535-Y538 VanDerWaalsContact O-CB 3.24Å; Q535-Y538 WeakPolarHBondContact O-CB 3.15Å; Q535-Y538 PolarHBondContact O-N 3.32Å; Q535-Y538 VanDerWaalsContact O-N 3.09Å; Y538-V540 VanDerWaalsContact C-N 3.34Å; Y538-V540 PolarHBondContact O-N 3.38Å; Y538-N541 PolarHBondContact O-N 3.24Å; Y538-N541 VanDerWaalsContact O-N 3.14Å; Y538-V542 HydrophobicContact CD1-CG2 4.45Å; Y538-V542 HydrophobicContact CD2-CG2 3.92Å; Y538-V542 HydrophobicContact CE1-CG2 4.09Å; Y538-V542 HydrophobicContact CE2-CG2 3.57Å; Y538-V542 HydrophobicContact CG-CG2 4.39Å; Y538-V542 WeakPolarHBondContact O-CG2 3.36Å; Y538-V542 PolarHBondContact O-N 3.46Å |
| 539 | W | 94.5 | Very high | 95.3 | Very high | 181 Ų | 181 | 53.5 Ų | 53.5 | 69% | 0.686 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.2 | -44.7 | -176.6 | -0 | 68.6 | 0 | 0 | 0 | 112.5 | E536 Y537 N541 V542 M543 | E536-W539 PolarHBondContact O-NE1 2.85Å; Y537-W539 PolarHBondContact O-N 3.12Å; W539-N541 VanDerWaalsContact C-N 3.34Å; W539-V542 PolarHBondContact O-N 2.94Å; W539-M543 WeakPolarHBondContact O-CG 3.35Å; W539-M543 PolarHBondContact O-N 3.32Å |
| 540 | V | 96.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 52.7 Ų | 52.7 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -41.6 | -179.7 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | P517 Y520 L521 Y537 Y538 M543 S544 | P517-V540 HydrophobicContact CB-CG1 3.54Å; Y520-V540 HydrophobicContact CD1-CG1 4.13Å; Y520-V540 HydrophobicContact CD1-CG2 4.34Å; Y520-V540 HydrophobicContact CE1-CG2 4.17Å; L521-V540 HydrophobicContact CD1-CG1 4.04Å; L521-V540 HydrophobicContact CD2-CB 4.13Å; L521-V540 HydrophobicContact CD2-CG1 3.94Å; L521-V540 HydrophobicContact CG-CG1 3.92Å; Y537-V540 PolarHBondContact O-N 3.3Å; Y538-V540 VanDerWaalsContact C-N 3.34Å; Y538-V540 PolarHBondContact O-N 3.38Å; V540-M543 WeakPolarHBondContact O-CB 3.28Å; V540-M543 PolarHBondContact O-N 3.45Å; V540-S544 PolarHBondContact O-N 2.92Å |
| 541 | N | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.9 | -29.5 | -179.1 | -169 | 47.8 | 0 | 0 | 0 | 112.9 | R135 L138 W461 L521 Y533 Y537 Y538 W539 M543 S544 S545 | R135-N541 PolarHBondContact NH1-OD1 3.41Å; R135-N541 VanDerWaalsContact NH1-OD1 3.14Å; R135-N541 PolarHBondContact NH2-O 2.94Å; R135-N541 PolarHBondContact NH2-OD1 2.98Å; L138-N541 PolarHBondContact O-ND2 3Å; W461-N541 VanDerWaalsContact CH2-OD1 3.32Å; W461-N541 WeakPolarHBondContact CH2-OD1 3.25Å; W461-N541 VanDerWaalsContact CZ3-OD1 3.23Å; W461-N541 WeakPolarHBondContact CZ3-OD1 3.39Å; L521-N541 HydrophobicContact CD1-CB 4.31Å; Y533-N541 WeakPolarHBondContact CE1-ND2 3.3Å; Y533-N541 HydrophobicContact CE2-CB 3.88Å; Y533-N541 PolarHBondContact OH-ND2 3.39Å; Y537-N541 WeakPolarHBondContact O-CB 3.5Å; Y537-N541 PolarHBondContact O-N 3.31Å; Y538-N541 PolarHBondContact O-N 3.24Å; Y538-N541 VanDerWaalsContact O-N 3.14Å; W539-N541 VanDerWaalsContact C-N 3.34Å; N541-M543 VanDerWaalsContact C-N 3.32Å; N541-M543 PolarHBondContact O-N 2.76Å; N541-S544 WeakPolarHBondContact O-CB 3.23Å; N541-S544 PolarHBondContact O-N 3.26Å; N541-S545 PolarHBondContact O-N 2.88Å |
| 542 | V | 95.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 24% | 0.242 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 168.7 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | Y538 W539 S544 S545 I546 | Y538-V542 HydrophobicContact CD1-CG2 4.45Å; Y538-V542 HydrophobicContact CD2-CG2 3.92Å; Y538-V542 HydrophobicContact CE1-CG2 4.09Å; Y538-V542 HydrophobicContact CE2-CG2 3.57Å; Y538-V542 HydrophobicContact CG-CG2 4.39Å; Y538-V542 WeakPolarHBondContact O-CG2 3.36Å; Y538-V542 PolarHBondContact O-N 3.46Å; W539-V542 PolarHBondContact O-N 2.94Å; V542-S544 VanDerWaalsContact C-N 3.33Å; V542-S544 PolarHBondContact O-N 3.33Å; V542-S545 PolarHBondContact O-N 2.89Å; V542-S545 VanDerWaalsContact O-N 3.13Å; V542-I546 HydrophobicContact CG1-CD1 4.02Å; V542-I546 HydrophobicContact CG1-CG1 4.5Å; V542-I546 WeakPolarHBondContact O-CG1 3.3Å; V542-I546 PolarHBondContact O-N 3.35Å |
| 543 | M | 96.4 | Very high | 95.9 | Very high | 103 Ų | 103 | 51.7 Ų | 51.7 | 51% | 0.507 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 173.5 | -60.1 | 178.8 | 97.3 | 0 | 0 | 111.5 | W539 V540 N541 S545 I546 G547 | W539-M543 WeakPolarHBondContact O-CG 3.35Å; W539-M543 PolarHBondContact O-N 3.32Å; V540-M543 WeakPolarHBondContact O-CB 3.28Å; V540-M543 PolarHBondContact O-N 3.45Å; N541-M543 VanDerWaalsContact C-N 3.32Å; N541-M543 PolarHBondContact O-N 2.76Å; M543-S545 VanDerWaalsContact C-N 3.31Å; M543-S545 PolarHBondContact O-N 3.42Å; M543-I546 PolarHBondContact O-N 3.43Å; M543-G547 PolarHBondContact O-N 3.19Å |
| 544 | S | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 173.4 | -69.6 | 0 | 0 | 0 | 0 | 113 | L513 C514 V540 N541 V542 G547 G548 | L513-S544 VanDerWaalsContact O-CA 3.29Å; L513-S544 WeakPolarHBondContact O-CA 3.25Å; C514-S544 VanDerWaalsContact O-CB 3.3Å; C514-S544 WeakPolarHBondContact O-CB 3.25Å; C514-S544 PolarHBondContact O-OG 3.29Å; V540-S544 PolarHBondContact O-N 2.92Å; N541-S544 WeakPolarHBondContact O-CB 3.23Å; N541-S544 PolarHBondContact O-N 3.26Å; V542-S544 VanDerWaalsContact C-N 3.33Å; V542-S544 PolarHBondContact O-N 3.33Å; S544-G547 PolarHBondContact O-N 2.97Å; S544-G548 PolarHBondContact O-N 3.24Å |
| 545 | S | 96.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 176.9 | -76.9 | 0 | 0 | 0 | 0 | 112.7 | R135 C139 N541 V542 M543 G547 G548 V549 | R135-S545 PolarHBondContact NE-OG 3.39Å; R135-S545 VanDerWaalsContact NH2-N 3.16Å; R135-S545 PolarHBondContact NH2-OG 3.42Å; R135-S545 PolarHBondContact O-OG 3.11Å; C139-S545 PolarHBondContact SG-OG 3.24Å; N541-S545 PolarHBondContact O-N 2.88Å; V542-S545 PolarHBondContact O-N 2.89Å; V542-S545 VanDerWaalsContact O-N 3.13Å; M543-S545 VanDerWaalsContact C-N 3.31Å; M543-S545 PolarHBondContact O-N 3.42Å; S545-G547 VanDerWaalsContact C-N 3.33Å; S545-G547 PolarHBondContact O-N 3.05Å; S545-G548 WeakPolarHBondContact O-CA 3.42Å; S545-G548 PolarHBondContact O-N 3.29Å; S545-G548 VanDerWaalsContact O-N 3.15Å; S545-V549 PolarHBondContact O-N 2.99Å |
| 546 | I | 97.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 48 Ų | 48 | 47% | 0.467 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -46.7 | 174.6 | -66.8 | 166.8 | 0 | 0 | 0 | 109.8 | V542 M543 G548 V549 L550 | V542-I546 HydrophobicContact CG1-CD1 4.02Å; V542-I546 HydrophobicContact CG1-CG1 4.5Å; V542-I546 WeakPolarHBondContact O-CG1 3.3Å; V542-I546 PolarHBondContact O-N 3.35Å; M543-I546 PolarHBondContact O-N 3.43Å; I546-G548 VanDerWaalsContact C-N 3.28Å; I546-G548 PolarHBondContact O-N 3.42Å; I546-V549 PolarHBondContact O-N 3.37Å; I546-L550 HydrophobicContact CG2-CD1 4.13Å; I546-L550 HydrophobicContact CG2-CG 4.47Å; I546-L550 WeakPolarHBondContact O-CG 3.37Å; I546-L550 PolarHBondContact O-N 3.14Å |
| 547 | G | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | G510 M543 S544 S545 L550 S551 | G510-G547 CarbonylContact C-O 3.56Å; G510-G547 CarbonylContact O-C 3.57Å; G510-G547 VanDerWaalsContact O-CA 3.26Å; G510-G547 WeakPolarHBondContact O-CA 3.27Å; G510-G547 VanDerWaalsContact O-O 3.11Å; M543-G547 PolarHBondContact O-N 3.19Å; S544-G547 PolarHBondContact O-N 2.97Å; S545-G547 VanDerWaalsContact C-N 3.33Å; S545-G547 PolarHBondContact O-N 3.05Å; G547-L550 PolarHBondContact O-N 3.42Å; G547-S551 WeakPolarHBondContact O-CB 3.22Å; G547-S551 PolarHBondContact O-N 3.37Å; G547-S551 PolarHBondContact O-OG 3.33Å |
| 548 | G | 96.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S544 S545 I546 S551 V552 | S544-G548 PolarHBondContact O-N 3.24Å; S545-G548 WeakPolarHBondContact O-CA 3.42Å; S545-G548 PolarHBondContact O-N 3.29Å; S545-G548 VanDerWaalsContact O-N 3.15Å; I546-G548 VanDerWaalsContact C-N 3.28Å; I546-G548 PolarHBondContact O-N 3.42Å; G548-S551 WeakPolarHBondContact O-CB 3.28Å; G548-S551 PolarHBondContact O-N 2.8Å; G548-V552 WeakPolarHBondContact O-CG2 3.27Å; G548-V552 PolarHBondContact O-N 2.81Å; G548-V552 VanDerWaalsContact O-N 3.09Å |
| 549 | V | 96.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 42.8 Ų | 42.8 | 38% | 0.382 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -46.9 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 111 | L132 S545 I546 S551 V552 V553 | L132-V549 HydrophobicContact CD1-CG2 4.07Å; S545-V549 PolarHBondContact O-N 2.99Å; I546-V549 PolarHBondContact O-N 3.37Å; V549-S551 VanDerWaalsContact C-N 3.28Å; V549-S551 PolarHBondContact O-N 2.85Å; V549-V552 PolarHBondContact O-N 3.36Å; V549-V553 HydrophobicContact CG1-CG2 4.41Å; V549-V553 WeakPolarHBondContact O-CG2 3.17Å; V549-V553 PolarHBondContact O-N 2.78Å |
| 550 | L | 97.7 | Very high | 95.5 | Very high | 51 Ų | 51 | 39 Ų | 39 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.4 | -39 | 177.5 | -69.1 | 174.9 | 0 | 0 | 0 | 112.2 | L506 V509 L513 I546 G547 V553 S554 | L506-L550 HydrophobicContact CD1-CB 4.06Å; L506-L550 HydrophobicContact CD1-CD2 3.73Å; L506-L550 HydrophobicContact CD1-CG 4.43Å; V509-L550 HydrophobicContact CG1-CD1 4.11Å; L513-L550 HydrophobicContact CD1-CD1 4Å; I546-L550 HydrophobicContact CG2-CD1 4.13Å; I546-L550 HydrophobicContact CG2-CG 4.47Å; I546-L550 WeakPolarHBondContact O-CG 3.37Å; I546-L550 PolarHBondContact O-N 3.14Å; G547-L550 PolarHBondContact O-N 3.42Å; L550-V553 PolarHBondContact O-N 3.41Å; L550-S554 PolarHBondContact O-N 2.86Å |
| 551 | S | 95.5 | Very high | 95.5 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 177 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | G510 F511 G547 G548 V549 S554 G555 | G510-S551 PolarHBondContact O-OG 3.47Å; F511-S551 WeakPolarHBondContact CD1-OG 3.35Å; F511-S551 PolarHBondContact N-OG 2.87Å; G547-S551 WeakPolarHBondContact O-CB 3.22Å; G547-S551 PolarHBondContact O-N 3.37Å; G547-S551 PolarHBondContact O-OG 3.33Å; G548-S551 WeakPolarHBondContact O-CB 3.28Å; G548-S551 PolarHBondContact O-N 2.8Å; V549-S551 VanDerWaalsContact C-N 3.28Å; V549-S551 PolarHBondContact O-N 2.85Å; S551-S554 WeakPolarHBondContact O-CB 3.39Å; S551-S554 PolarHBondContact O-N 3.46Å; S551-G555 PolarHBondContact O-N 3.1Å |
| 552 | V | 93.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L132 G548 V549 S554 G555 F556 | L132-V552 HydrophobicContact CB-CG2 4.16Å; L132-V552 HydrophobicContact CD1-CG2 4.36Å; L132-V552 HydrophobicContact CD2-CG1 4.46Å; G548-V552 WeakPolarHBondContact O-CG2 3.27Å; G548-V552 PolarHBondContact O-N 2.81Å; G548-V552 VanDerWaalsContact O-N 3.09Å; V549-V552 PolarHBondContact O-N 3.36Å; V552-S554 PolarHBondContact O-N 2.8Å; V552-G555 PolarHBondContact O-N 2.78Å; V552-F556 HydrophobicContact CG1-CD2 4.11Å; V552-F556 HydrophobicContact CG1-CE2 3.76Å; V552-F556 WeakPolarHBondContact O-CD2 3.39Å; V552-F556 PolarHBondContact O-N 2.62Å |
| 553 | V | 96.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.6 | -39 | 175.3 | 178 | 0 | 0 | 0 | 0 | 110.5 | L506 V549 L550 G555 F556 V557 | L506-V553 HydrophobicContact CD2-CB 4.37Å; L506-V553 HydrophobicContact CD2-CG1 3.93Å; V549-V553 HydrophobicContact CG1-CG2 4.41Å; V549-V553 WeakPolarHBondContact O-CG2 3.17Å; V549-V553 PolarHBondContact O-N 2.78Å; L550-V553 PolarHBondContact O-N 3.41Å; V553-G555 VanDerWaalsContact C-N 3.29Å; V553-G555 PolarHBondContact O-N 3.47Å; V553-F556 PolarHBondContact O-N 2.82Å; V553-F556 VanDerWaalsContact O-N 3.11Å; V553-V557 HydrophobicContact CG1-CG2 4.34Å; V553-V557 WeakPolarHBondContact O-CG2 3.16Å; V553-V557 PolarHBondContact O-N 3.02Å |
| 554 | S | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58 | -40.3 | 174.6 | -161.8 | 0 | 0 | 0 | 0 | 112.8 | H503 S507 L550 S551 V552 F556 V557 L558 | H503-S554 PolarHBondContact CD2-O 3.39Å; H503-S554 PolarHBondContact CD2-OG 3.49Å; H503-S554 PolarHBondContact NE2-O 2.91Å; H503-S554 PolarHBondContact NE2-OG 3.35Å; S507-S554 PolarHBondContact OG-OG 2.89Å; L550-S554 PolarHBondContact O-N 2.86Å; S551-S554 WeakPolarHBondContact O-CB 3.39Å; S551-S554 PolarHBondContact O-N 3.46Å; V552-S554 PolarHBondContact O-N 2.8Å; S554-F556 VanDerWaalsContact C-N 3.34Å; S554-F556 PolarHBondContact O-N 3.47Å; S554-V557 PolarHBondContact O-N 3.31Å; S554-L558 PolarHBondContact O-N 2.94Å |
| 555 | G | 92.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S551 V552 V553 L558 L559 | S551-G555 PolarHBondContact O-N 3.1Å; V552-G555 PolarHBondContact O-N 2.78Å; V553-G555 VanDerWaalsContact C-N 3.29Å; V553-G555 PolarHBondContact O-N 3.47Å; G555-L558 WeakPolarHBondContact O-CB 3.14Å; G555-L558 PolarHBondContact O-N 3.41Å; G555-L559 PolarHBondContact O-N 2.91Å |
| 556 | F | 93.4 | Very high | 94.6 | Very high | 115 Ų | 115 | 43.9 Ų | 43.9 | 50% | 0.504 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.2 | -35.9 | 175.1 | -72.9 | -75.1 | 0 | 0 | 0 | 113 | F125 V552 V553 S554 L558 L559 F560 | F125-F556 HydrophobicContact CD1-CE1 4.09Å; F125-F556 HydrophobicContact CD1-CZ 4.03Å; F125-F556 AromaticContact CE1-CD1 3.83Å; F125-F556 HydrophobicContact CE1-CD1 3.83Å; F125-F556 HydrophobicContact CE1-CD2 4.33Å; F125-F556 AromaticContact CE1-CE1 3.63Å; F125-F556 HydrophobicContact CE1-CE1 3.63Å; F125-F556 HydrophobicContact CE1-CE2 4.16Å; F125-F556 HydrophobicContact CE1-CG 4.18Å; F125-F556 AromaticContact CE1-CZ 3.81Å; F125-F556 HydrophobicContact CE1-CZ 3.81Å; F125-F556 HydrophobicContact CZ-CD1 4.47Å; V552-F556 HydrophobicContact CG1-CD2 4.11Å; V552-F556 HydrophobicContact CG1-CE2 3.76Å; V552-F556 WeakPolarHBondContact O-CD2 3.39Å; V552-F556 PolarHBondContact O-N 2.62Å; V553-F556 PolarHBondContact O-N 2.82Å; V553-F556 VanDerWaalsContact O-N 3.11Å; S554-F556 VanDerWaalsContact C-N 3.34Å; S554-F556 PolarHBondContact O-N 3.47Å; F556-L558 VanDerWaalsContact C-N 3.3Å; F556-L558 PolarHBondContact O-N 3.1Å; F556-L559 PolarHBondContact O-N 2.84Å; F556-F560 PolarHBondContact O-N 3.3Å |
| 557 | V | 96.6 | Very high | 94.3 | Very high | 40 Ų | 40 | 44 Ų | 44 | 24% | 0.242 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 174 | 171 | 0 | 0 | 0 | 0 | 111 | H503 L506 V553 S554 L559 F560 I561 | H503-V557 HydrophobicContact CB-CG1 3.99Å; L506-V557 HydrophobicContact CD2-CG2 3.86Å; V553-V557 HydrophobicContact CG1-CG2 4.34Å; V553-V557 WeakPolarHBondContact O-CG2 3.16Å; V553-V557 PolarHBondContact O-N 3.02Å; S554-V557 PolarHBondContact O-N 3.31Å; V557-L559 PolarHBondContact O-N 2.87Å; V557-F560 WeakPolarHBondContact O-CB 3.41Å; V557-F560 PolarHBondContact O-N 3.07Å; V557-I561 HydrophobicContact CG1-CD1 3.92Å; V557-I561 HydrophobicContact CG1-CG1 4.47Å; V557-I561 VanDerWaalsContact O-CG1 3.3Å; V557-I561 WeakPolarHBondContact O-CG1 3.4Å; V557-I561 PolarHBondContact O-N 3.02Å |
| 558 | L | 94.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.9 | -47.8 | 173.2 | -178.4 | 61.8 | 0 | 0 | 0 | 111.4 | M479 V480 L483 S554 G555 F556 F560 I561 L562 | M479-L558 HydrophobicContact CE-CD2 4.27Å; V480-L558 HydrophobicContact CG2-CD2 4.15Å; L483-L558 HydrophobicContact CD2-CD1 4.36Å; S554-L558 PolarHBondContact O-N 2.94Å; G555-L558 WeakPolarHBondContact O-CB 3.14Å; G555-L558 PolarHBondContact O-N 3.41Å; F556-L558 VanDerWaalsContact C-N 3.3Å; F556-L558 PolarHBondContact O-N 3.1Å; L558-F560 VanDerWaalsContact C-N 3.3Å; L558-F560 PolarHBondContact O-N 3.22Å; L558-I561 WeakPolarHBondContact O-CB 3.48Å; L558-I561 PolarHBondContact O-N 2.83Å; L558-L562 HydrophobicContact CG-CD1 4.46Å; L558-L562 WeakPolarHBondContact O-CG 3.19Å; L558-L562 PolarHBondContact O-N 3.27Å; L558-L562 VanDerWaalsContact O-N 3.11Å |
| 559 | L | 90.5 | Very high | 93.9 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 34% | 0.34 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 176.4 | -70.8 | -174.1 | 0 | 0 | 0 | 112.3 | F125 G555 F556 V557 I561 L562 W563 | F125-L559 HydrophobicContact CD2-CD1 4.27Å; F125-L559 HydrophobicContact CE1-CD1 3.99Å; F125-L559 HydrophobicContact CE2-CD1 3.38Å; F125-L559 HydrophobicContact CE2-CD2 3.98Å; F125-L559 HydrophobicContact CE2-CG 3.68Å; F125-L559 HydrophobicContact CZ-CD1 3.21Å; F125-L559 HydrophobicContact CZ-CD2 4.36Å; F125-L559 HydrophobicContact CZ-CG 3.56Å; G555-L559 PolarHBondContact O-N 2.91Å; F556-L559 PolarHBondContact O-N 2.84Å; V557-L559 PolarHBondContact O-N 2.87Å; L559-I561 VanDerWaalsContact C-N 3.32Å; L559-I561 PolarHBondContact O-N 3.18Å; L559-L562 PolarHBondContact O-N 2.99Å; L559-W563 WeakPolarHBondContact O-CB 3.39Å; L559-W563 PolarHBondContact O-N 3.35Å |
| 560 | F | 94 | Very high | 93.6 | Very high | 101 Ų | 101 | 49.4 Ų | 49.4 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.5 | 176.5 | -100.7 | 0 | 0 | 0 | 111.8 | L499 F556 V557 L558 W563 E564 | L499-F560 HydrophobicContact CD1-CD1 4.3Å; L499-F560 HydrophobicContact CD1-CE1 3.87Å; L499-F560 HydrophobicContact CD2-CE1 4.43Å; F556-F560 PolarHBondContact O-N 3.3Å; V557-F560 WeakPolarHBondContact O-CB 3.41Å; V557-F560 PolarHBondContact O-N 3.07Å; L558-F560 VanDerWaalsContact C-N 3.3Å; L558-F560 PolarHBondContact O-N 3.22Å; F560-W563 AromaticContact CD2-CE3 3.9Å; F560-W563 HydrophobicContact CD2-CE3 3.9Å; F560-W563 HydrophobicContact CD2-CZ3 4.13Å; F560-W563 AromaticContact CE2-CE3 3.87Å; F560-W563 HydrophobicContact CE2-CE3 3.87Å; F560-W563 AromaticContact CE2-CZ3 3.65Å; F560-W563 HydrophobicContact CE2-CZ3 3.65Å; F560-W563 HydrophobicContact CZ-CZ3 4.46Å; F560-W563 PolarHBondContact O-N 2.75Å; F560-E564 VanDerWaalsContact O-CB 3.28Å; F560-E564 WeakPolarHBondContact O-CB 3.23Å; F560-E564 PolarHBondContact O-N 3.26Å |
| 561 | I | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.3 | -72 | 166.4 | 0 | 0 | 0 | 111.8 | L495 L499 L500 H503 V557 L558 L559 S565 | L495-I561 HydrophobicContact CB-CG2 4.44Å; L495-I561 HydrophobicContact CD2-CG2 3.88Å; L499-I561 HydrophobicContact CB-CD1 3.94Å; L499-I561 HydrophobicContact CB-CG1 3.68Å; L499-I561 HydrophobicContact CD1-CG1 4.24Å; L499-I561 WeakPolarHBondContact O-CD1 3.39Å; L500-I561 HydrophobicContact CD2-CD1 4.25Å; L500-I561 HydrophobicContact CD2-CG2 4.04Å; L500-I561 HydrophobicContact CG-CG2 4.43Å; H503-I561 HydrophobicContact CB-CD1 3.65Å; V557-I561 HydrophobicContact CG1-CD1 3.92Å; V557-I561 HydrophobicContact CG1-CG1 4.47Å; V557-I561 VanDerWaalsContact O-CG1 3.3Å; V557-I561 WeakPolarHBondContact O-CG1 3.4Å; V557-I561 PolarHBondContact O-N 3.02Å; L558-I561 WeakPolarHBondContact O-CB 3.48Å; L558-I561 PolarHBondContact O-N 2.83Å; L559-I561 VanDerWaalsContact C-N 3.32Å; L559-I561 PolarHBondContact O-N 3.18Å; I561-S565 PolarHBondContact O-N 2.6Å; I561-S565 VanDerWaalsContact O-N 3.11Å |
| 562 | L | 90.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 178.1 | -57.8 | 172.2 | 0 | 0 | 0 | 111.1 | L483 W487 L495 L558 L559 S565 L566 | L483-L562 HydrophobicContact CD1-CD2 4.49Å; L483-L562 HydrophobicContact CD2-CD1 3.69Å; L483-L562 HydrophobicContact CD2-CD2 3.65Å; L483-L562 HydrophobicContact CD2-CG 4.24Å; L483-L562 HydrophobicContact CG-CD2 4Å; W487-L562 HydrophobicContact CD2-CD2 4.07Å; W487-L562 HydrophobicContact CE3-CD2 3.7Å; W487-L562 HydrophobicContact CH2-CB 3.86Å; W487-L562 HydrophobicContact CH2-CD2 3.89Å; W487-L562 HydrophobicContact CH2-CG 4.37Å; W487-L562 HydrophobicContact CZ2-CB 4.27Å; W487-L562 HydrophobicContact CZ2-CD2 4.25Å; W487-L562 HydrophobicContact CZ3-CB 4.35Å; W487-L562 HydrophobicContact CZ3-CD2 3.62Å; W487-L562 HydrophobicContact CZ3-CG 4.38Å; L495-L562 HydrophobicContact CD2-CD2 4.3Å; L558-L562 HydrophobicContact CG-CD1 4.46Å; L558-L562 WeakPolarHBondContact O-CG 3.19Å; L558-L562 PolarHBondContact O-N 3.27Å; L558-L562 VanDerWaalsContact O-N 3.11Å; L559-L562 PolarHBondContact O-N 2.99Å; L562-S565 PolarHBondContact O-N 3.08Å; L562-L566 WeakPolarHBondContact O-CG 3.23Å; L562-L566 PolarHBondContact O-N 3.44Å |
| 563 | W | 91.4 | Very high | 92.1 | Very high | 148 Ų | 148 | 65.9 Ų | 65.9 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 175.8 | 172.4 | 81.8 | 0 | 0 | 0 | 112 | L559 F560 S565 L566 V567 | L559-W563 WeakPolarHBondContact O-CB 3.39Å; L559-W563 PolarHBondContact O-N 3.35Å; F560-W563 AromaticContact CD2-CE3 3.9Å; F560-W563 HydrophobicContact CD2-CE3 3.9Å; F560-W563 HydrophobicContact CD2-CZ3 4.13Å; F560-W563 AromaticContact CE2-CE3 3.87Å; F560-W563 HydrophobicContact CE2-CE3 3.87Å; F560-W563 AromaticContact CE2-CZ3 3.65Å; F560-W563 HydrophobicContact CE2-CZ3 3.65Å; F560-W563 HydrophobicContact CZ-CZ3 4.46Å; F560-W563 PolarHBondContact O-N 2.75Å; W563-S565 VanDerWaalsContact C-N 3.3Å; W563-S565 PolarHBondContact O-N 3.1Å; W563-L566 WeakPolarHBondContact O-CB 3.39Å; W563-L566 PolarHBondContact O-N 3.45Å; W563-L566 VanDerWaalsContact O-N 3.12Å; W563-V567 HydrophobicContact CD2-CG2 4.04Å; W563-V567 HydrophobicContact CG-CG2 4.41Å; W563-V567 HydrophobicContact CH2-CG2 4.44Å; W563-V567 HydrophobicContact CZ2-CG2 3.78Å; W563-V567 WeakPolarHBondContact O-CG2 3.36Å; W563-V567 PolarHBondContact O-N 3.22Å |
| 564 | E | 94.8 | Very high | 90.9 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58 | -43.4 | 177.8 | -176.5 | -90.8 | -178.2 | 0 | 0 | 111.1 | L499 F560 L566 V567 V568 | L499-E564 HydrophobicContact CD1-CG 4.24Å; F560-E564 VanDerWaalsContact O-CB 3.28Å; F560-E564 WeakPolarHBondContact O-CB 3.23Å; F560-E564 PolarHBondContact O-N 3.26Å; E564-L566 VanDerWaalsContact C-N 3.31Å; E564-L566 PolarHBondContact O-N 2.86Å; E564-V567 PolarHBondContact O-N 3.21Å; E564-V568 HydrophobicContact CG-CG2 4Å; E564-V568 WeakPolarHBondContact O-CB 3.4Å; E564-V568 WeakPolarHBondContact O-CG2 3.39Å; E564-V568 PolarHBondContact O-N 2.9Å |
| 565 | S | 92.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 176.7 | -173.8 | 0 | 0 | 0 | 0 | 113 | W487 Y493 S494 I561 L562 W563 G569 | W487-S565 PolarHBondContact NE1-OG 3.28Å; Y493-S565 WeakPolarHBondContact CB-OG 3.4Å; S494-S565 PolarHBondContact O-OG 3.27Å; I561-S565 PolarHBondContact O-N 2.6Å; I561-S565 VanDerWaalsContact O-N 3.11Å; L562-S565 PolarHBondContact O-N 3.08Å; W563-S565 VanDerWaalsContact C-N 3.3Å; W563-S565 PolarHBondContact O-N 3.1Å; S565-G569 PolarHBondContact O-N 3.46Å |
| 566 | L | 91.3 | Very high | 87.1 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70 | -36.7 | 176.8 | -66.9 | 172 | 0 | 0 | 0 | 112.7 | W487 V491 Y493 L562 W563 E564 | W487-L566 HydrophobicContact CH2-CD1 4.47Å; W487-L566 HydrophobicContact CH2-CD2 4.47Å; W487-L566 HydrophobicContact CH2-CG 4.35Å; W487-L566 HydrophobicContact CZ2-CD2 4.13Å; W487-L566 HydrophobicContact CZ2-CG 4.03Å; V491-L566 HydrophobicContact CG1-CD2 3.51Å; Y493-L566 HydrophobicContact CD2-CD2 4.18Å; Y493-L566 HydrophobicContact CE2-CD2 4.35Å; L562-L566 WeakPolarHBondContact O-CG 3.23Å; L562-L566 PolarHBondContact O-N 3.44Å; W563-L566 WeakPolarHBondContact O-CB 3.39Å; W563-L566 PolarHBondContact O-N 3.45Å; W563-L566 VanDerWaalsContact O-N 3.12Å; E564-L566 VanDerWaalsContact C-N 3.31Å; E564-L566 PolarHBondContact O-N 2.86Å |
| 567 | V | 91.1 | Very high | 86.8 | Confident | 92 Ų | 92 | 82.6 Ų | 82.6 | 56% | 0.558 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -77.4 | -45.8 | -178.4 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | W563 E564 G569 | W563-V567 HydrophobicContact CD2-CG2 4.04Å; W563-V567 HydrophobicContact CG-CG2 4.41Å; W563-V567 HydrophobicContact CH2-CG2 4.44Å; W563-V567 HydrophobicContact CZ2-CG2 3.78Å; W563-V567 WeakPolarHBondContact O-CG2 3.36Å; W563-V567 PolarHBondContact O-N 3.22Å; E564-V567 PolarHBondContact O-N 3.21Å; V567-G569 VanDerWaalsContact C-N 3.34Å |
| 568 | V | 93.8 | Very high | 86.3 | Confident | 72 Ų | 72 | 84.8 Ų | 84.8 | 44% | 0.436 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.6 | -35.5 | 179 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | E564 N570 | E564-V568 HydrophobicContact CG-CG2 4Å; E564-V568 WeakPolarHBondContact O-CB 3.4Å; E564-V568 WeakPolarHBondContact O-CG2 3.39Å; E564-V568 PolarHBondContact O-N 2.9Å; V568-N570 VanDerWaalsContact C-N 3.29Å; V568-N570 HydrophobicContact CG1-CB 4.47Å; V568-N570 WeakPolarHBondContact CG1-ND2 3.2Å; V568-N570 PolarHBondContact O-N 3.32Å |
| 569 | G | 91.3 | Very high | 85.8 | Confident | 22 Ų | 22 | 89.1 Ų | 89.1 | 23% | 0.227 | 44% | 0.44 | C | S | . | . | trans | 65.7 | 30.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y493 S565 V567 R571 | Y493-G569 VanDerWaalsContact CD1-C 3.48Å; Y493-G569 WeakPolarHBondContact CD1-O 3.23Å; Y493-G569 WeakPolarHBondContact CE1-O 3.41Å; S565-G569 PolarHBondContact O-N 3.46Å; V567-G569 VanDerWaalsContact C-N 3.34Å; G569-R571 PolarHBondContact O-N 3.43Å | ||
| 570 | N | 92 | Very high | 85.5 | Confident | 89 Ų | 89 | 90.5 Ų | 90.5 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | trans | -63.1 | 95.9 | 177.4 | -79.9 | -22.8 | 0 | 0 | 0 | 110.3 | Y493 S494 V568 V572 | Y493-N570 CarbonylContact C-O 3.53Å; Y493-N570 VanDerWaalsContact CA-O 3.25Å; Y493-N570 WeakPolarHBondContact CA-O 3.44Å; S494-N570 PolarHBondContact N-O 3.03Å; S494-N570 VanDerWaalsContact OG-CB 3.23Å; S494-N570 WeakPolarHBondContact OG-CB 3.37Å; S494-N570 PolarHBondContact OG-O 3.36Å; V568-N570 VanDerWaalsContact C-N 3.29Å; V568-N570 HydrophobicContact CG1-CB 4.47Å; V568-N570 WeakPolarHBondContact CG1-ND2 3.2Å; V568-N570 PolarHBondContact O-N 3.32Å; N570-V572 PolarHBondContact O-N 3.27Å | ||
| 571 | R | 90.4 | Very high | 85 | Confident | 191 Ų | 191 | 89.9 Ų | 89.9 | 72% | 0.721 | 45% | 0.446 | S | S | * | . | B | Isolated β-bridge | trans | -66.3 | 132.6 | -177.5 | -69.1 | -177.3 | -173.8 | -177.2 | 2.3 | 111.2 | Y493 G569 M573 | Y493-R571 HydrophobicContact CD1-CG 4.05Å; Y493-R571 HydrophobicContact CE1-CG 3.77Å; G569-R571 PolarHBondContact O-N 3.43Å; R571-M573 PolarHBondContact O-N 3.02Å |
| 572 | V | 86.4 | Confident | 84.3 | Confident | 49 Ų | 49 | 95.9 Ų | 95.9 | 30% | 0.297 | 48% | 0.475 | S | S | . | . | trans | -80.5 | 109.3 | 172 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | P488 G492 N570 G574 L575 | P488-V572 HydrophobicContact CB-CB 4.48Å; P488-V572 HydrophobicContact CB-CG2 3.92Å; P488-V572 HydrophobicContact CG-CG2 4.45Å; G492-V572 PolarHBondContact O-N 3Å; N570-V572 PolarHBondContact O-N 3.27Å; V572-G574 VanDerWaalsContact C-N 3.32Å; V572-G574 VanDerWaalsContact CG1-O 3.27Å; V572-G574 WeakPolarHBondContact CG1-O 3.25Å; V572-L575 HydrophobicContact CG1-CD2 4.41Å; V572-L575 HydrophobicContact CG1-CG 4.48Å | ||
| 573 | M | 77.9 | Confident | 83.8 | Confident | 182 Ų | 182 | 101.6 Ų | 101.6 | 90% | 0.897 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -77.9 | -17.2 | -177.3 | -65.7 | -64.8 | -68.4 | 0 | 0 | 113.2 | R571 | R571-M573 PolarHBondContact O-N 3.02Š|
| 574 | G | 71.3 | Confident | 83.2 | Confident | 56 Ų | 56 | 98 Ų | 98 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | trans | -162.7 | 137 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V572 | V572-G574 VanDerWaalsContact C-N 3.32Å; V572-G574 VanDerWaalsContact CG1-O 3.27Å; V572-G574 WeakPolarHBondContact CG1-O 3.25Å | ||
| 575 | L | 61.1 | Low | 82.3 | Confident | 115 Ų | 115 | 103.9 Ų | 103.9 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | trans | -89.6 | 132.4 | 165.8 | -73.2 | 160.9 | 0 | 0 | 0 | 107 | P488 F489 V572 | P488-L575 HydrophobicContact CB-CD2 4.04Å; F489-L575 HydrophobicContact CD2-CD1 4.31Å; V572-L575 HydrophobicContact CG1-CD2 4.41Å; V572-L575 HydrophobicContact CG1-CG 4.48Å | ||
| 576 | W | 47.9 | Very low | 81.3 | Confident | 287 Ų | 287 | 113.3 Ų | 113.3 | 100% | 1.087 | 58% | 0.578 | S | S | * | * | trans | -64.5 | 0 | 168.9 | -108.6 | 74.4 | 0 | 0 | 0 | 110.5 |
Retrieved 576 of 576 residues in 1066.6 ms
(Link to these results)