| 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 | Q | 53.4 | Low | 65.8 | Low | 94 Ų | 94 | 60.9 Ų | 60.9 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | 0 | -64.9 | 0 | -72.6 | 168.1 | -52.4 | 0 | 0 | 110.1 | F3 A4 L5 V61 N62 | Q1-F3 PolarHBondContact O-N 3.35Å; Q1-A4 PolarHBondContact O-N 3.15Å; Q1-L5 PolarHBondContact O-N 3.09Å; Q1-V61 HydrophobicContact CG-CB 4.4Å; Q1-V61 HydrophobicContact CG-CG1 3.61Å; Q1-N62 WeakPolarHBondContact CG-OD1 3.49Å; Q1-N62 PolarHBondContact NE2-OD1 3.42Å | |||
| 2 | T | 59 | Low | 66.2 | Low | 100 Ų | 100 | 60.7 Ų | 60.7 | 61% | 0.613 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -38.8 | -56.3 | 172.1 | 41.1 | 0 | 0 | 0 | 0 | 113.8 | A4 L5 E6 | T2-A4 PolarHBondContact O-N 3.4Å; T2-L5 CarbonylContact O-C 3.44Å; T2-L5 WeakPolarHBondContact O-CB 3.41Å; T2-L5 PolarHBondContact O-N 2.8Å; T2-E6 WeakPolarHBondContact O-CB 3.31Å; T2-E6 PolarHBondContact O-N 3.44Å |
| 3 | F | 67.6 | Low | 66.4 | Low | 142 Ų | 142 | 58.8 Ų | 58.8 | 62% | 0.623 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -49 | -54.7 | 179.3 | 179.9 | -102.5 | 0 | 0 | 0 | 114.2 | Q1 L5 E6 T7 | Q1-F3 PolarHBondContact O-N 3.35Å; F3-L5 VanDerWaalsContact C-N 3.25Å; F3-L5 PolarHBondContact O-N 2.59Å; F3-E6 PolarHBondContact O-N 3.14Å; F3-T7 WeakPolarHBondContact O-CB 3.38Å; F3-T7 PolarHBondContact O-N 3.08Å; F3-T7 PolarHBondContact O-OG1 2.69Å; F3-T7 VanDerWaalsContact O-OG1 3.05Å |
| 4 | A | 66.1 | Low | 67.2 | Low | 9 Ų | 9 | 61.6 Ų | 61.6 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -31.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1 T2 R8 F54 M58 | Q1-A4 PolarHBondContact O-N 3.15Å; T2-A4 PolarHBondContact O-N 3.4Å; A4-R8 VanDerWaalsContact O-CB 3.32Å; A4-R8 WeakPolarHBondContact O-CB 3.46Å; A4-R8 PolarHBondContact O-N 3.23Å; A4-F54 HydrophobicContact CB-CD1 3.97Å; A4-M58 HydrophobicContact CB-CB 4.29Å |
| 5 | L | 62.4 | Low | 67.7 | Low | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -77.4 | -35.7 | 178.1 | -179.3 | 50.2 | 0 | 0 | 0 | 112 | Q1 T2 F3 T9 M58 S114 F115 C118 | Q1-L5 PolarHBondContact O-N 3.09Å; T2-L5 CarbonylContact O-C 3.44Å; T2-L5 WeakPolarHBondContact O-CB 3.41Å; T2-L5 PolarHBondContact O-N 2.8Å; F3-L5 VanDerWaalsContact C-N 3.25Å; F3-L5 PolarHBondContact O-N 2.59Å; L5-T9 WeakPolarHBondContact O-CB 3.41Å; L5-T9 PolarHBondContact O-N 3.15Å; L5-T9 PolarHBondContact O-OG1 3.34Å; L5-M58 HydrophobicContact CB-CG 4.41Å; L5-M58 HydrophobicContact CB-SD 3.84Å; L5-M58 HydrophobicContact CD1-SD 3.72Å; L5-M58 HydrophobicContact CD2-SD 3.92Å; L5-M58 HydrophobicContact CG-SD 4.03Å; L5-S114 VanDerWaalsContact CD2-O 3.32Å; L5-S114 WeakPolarHBondContact CD2-O 3.48Å; L5-F115 HydrophobicContact CD1-CD1 4.23Å; L5-F115 HydrophobicContact CD1-CE1 4.23Å; L5-F115 HydrophobicContact CD2-CD1 4.37Å; L5-C118 HydrophobicContact CD1-CB 4.14Å; L5-C118 WeakPolarHBondContact CD1-SG 3.44Å; L5-C118 HydrophobicContact CD2-CB 3.52Å; L5-C118 HydrophobicContact CG-CB 3.71Å; L5-C118 VanDerWaalsContact CG-SG 3.51Å |
| 6 | E | 64.8 | Low | 68 | Low | 90 Ų | 90 | 55.8 Ų | 55.8 | 42% | 0.421 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.2 | -47.5 | 171.2 | -169.7 | -166.2 | 150.3 | 0 | 0 | 111.2 | T2 F3 R8 T9 K10 | T2-E6 WeakPolarHBondContact O-CB 3.31Å; T2-E6 PolarHBondContact O-N 3.44Å; F3-E6 PolarHBondContact O-N 3.14Å; E6-R8 PolarHBondContact O-N 3.42Å; E6-T9 WeakPolarHBondContact O-CA 3.5Å; E6-T9 VanDerWaalsContact O-CB 3.32Å; E6-T9 WeakPolarHBondContact O-CB 3.44Å; E6-T9 PolarHBondContact O-N 2.9Å; E6-K10 PolarHBondContact O-N 3.38Å; E6-K10 WeakPolarHBondContact OE1-CE 3.5Å; E6-K10 IonicContact OE1-NZ 3.6Å; E6-K10 PolarHBondContact OE1-NZ 3.2Å |
| 7 | T | 70 | Confident | 68.6 | Low | 30 Ų | 30 | 56.7 Ų | 56.7 | 18% | 0.184 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.2 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | F3 T9 K10 L11 F54 | F3-T7 WeakPolarHBondContact O-CB 3.38Å; F3-T7 PolarHBondContact O-N 3.08Å; F3-T7 PolarHBondContact O-OG1 2.69Å; F3-T7 VanDerWaalsContact O-OG1 3.05Å; T7-T9 VanDerWaalsContact C-N 3.28Å; T7-T9 PolarHBondContact O-N 3.44Å; T7-K10 PolarHBondContact O-N 2.79Å; T7-L11 HydrophobicContact CG2-CD1 3.97Å; T7-L11 HydrophobicContact CG2-CG 4.47Å; T7-L11 WeakPolarHBondContact O-CB 3.35Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.35Å; T7-L11 PolarHBondContact O-N 3.18Å; T7-F54 HydrophobicContact CG2-CD2 3.78Å; T7-F54 HydrophobicContact CG2-CE1 4.35Å; T7-F54 HydrophobicContact CG2-CE2 3.52Å; T7-F54 HydrophobicContact CG2-CG 4.32Å; T7-F54 HydrophobicContact CG2-CZ 3.84Å |
| 8 | R | 71.4 | Confident | 69.4 | Low | 39 Ų | 39 | 54 Ų | 54 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -40 | 171.4 | -174.3 | -166.5 | 179.4 | -135.7 | -2.4 | 112.2 | A4 E6 L11 L12 K51 F54 | A4-R8 VanDerWaalsContact O-CB 3.32Å; A4-R8 WeakPolarHBondContact O-CB 3.46Å; A4-R8 PolarHBondContact O-N 3.23Å; E6-R8 PolarHBondContact O-N 3.42Å; R8-L11 PolarHBondContact O-N 3.4Å; R8-L12 WeakPolarHBondContact O-CB 3.43Å; R8-L12 PolarHBondContact O-N 3.02Å; R8-K51 HydrophobicContact CG-CG 4.28Å; R8-F54 HydrophobicContact CB-CB 4.36Å |
| 9 | T | 64.6 | Low | 69.8 | Low | 14 Ų | 14 | 51.8 Ų | 51.8 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -47.2 | 178.3 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | L5 E6 T7 L11 L12 V13 I122 | L5-T9 WeakPolarHBondContact O-CB 3.41Å; L5-T9 PolarHBondContact O-N 3.15Å; L5-T9 PolarHBondContact O-OG1 3.34Å; E6-T9 WeakPolarHBondContact O-CA 3.5Å; E6-T9 VanDerWaalsContact O-CB 3.32Å; E6-T9 WeakPolarHBondContact O-CB 3.44Å; E6-T9 PolarHBondContact O-N 2.9Å; T7-T9 VanDerWaalsContact C-N 3.28Å; T7-T9 PolarHBondContact O-N 3.44Å; T9-L11 VanDerWaalsContact C-N 3.35Å; T9-L11 PolarHBondContact O-N 3.35Å; T9-L12 PolarHBondContact O-N 2.83Å; T9-V13 WeakPolarHBondContact O-CG2 3.22Å; T9-V13 PolarHBondContact O-N 3.22Å; T9-I122 HydrophobicContact CG2-CG1 3.72Å |
| 10 | K | 69.4 | Low | 70.1 | Confident | 123 Ų | 123 | 51.4 Ų | 51.4 | 54% | 0.535 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 175.3 | -66.7 | 174.8 | -175 | 172.7 | 0 | 112.2 | E6 T7 V13 F14 | E6-K10 PolarHBondContact O-N 3.38Å; E6-K10 WeakPolarHBondContact OE1-CE 3.5Å; E6-K10 IonicContact OE1-NZ 3.6Å; E6-K10 PolarHBondContact OE1-NZ 3.2Å; T7-K10 PolarHBondContact O-N 2.79Å; K10-V13 WeakPolarHBondContact O-CB 3.34Å; K10-V13 PolarHBondContact O-N 3.11Å; K10-F14 WeakPolarHBondContact O-CB 3.47Å; K10-F14 PolarHBondContact O-N 3.32Å |
| 11 | L | 75.6 | Confident | 70.7 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 176.9 | -70.9 | 165.2 | 0 | 0 | 0 | 113.2 | T7 R8 T9 V13 F14 A15 T47 L50 F54 | T7-L11 HydrophobicContact CG2-CD1 3.97Å; T7-L11 HydrophobicContact CG2-CG 4.47Å; T7-L11 WeakPolarHBondContact O-CB 3.35Å; T7-L11 VanDerWaalsContact O-CG 3.27Å; T7-L11 WeakPolarHBondContact O-CG 3.35Å; T7-L11 PolarHBondContact O-N 3.18Å; R8-L11 PolarHBondContact O-N 3.4Å; T9-L11 VanDerWaalsContact C-N 3.35Å; T9-L11 PolarHBondContact O-N 3.35Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 2.97Å; L11-F14 PolarHBondContact O-N 2.95Å; L11-A15 PolarHBondContact O-N 2.77Å; L11-T47 HydrophobicContact CB-CG2 4.35Å; L11-T47 HydrophobicContact CD2-CG2 4.07Å; L11-T47 WeakPolarHBondContact O-CG2 3.39Å; L11-L50 HydrophobicContact CD1-CB 3.66Å; L11-L50 HydrophobicContact CD2-CB 4.27Å; L11-L50 HydrophobicContact CD2-CD1 4.44Å; L11-F54 HydrophobicContact CD1-CD2 3.66Å; L11-F54 HydrophobicContact CD1-CE2 4.11Å |
| 12 | L | 70.2 | Confident | 72.1 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 30% | 0.304 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -38 | 176 | -177.2 | 147.6 | 0 | 0 | 0 | 111.7 | R8 T9 A263 | R8-L12 WeakPolarHBondContact O-CB 3.43Å; R8-L12 PolarHBondContact O-N 3.02Å; T9-L12 PolarHBondContact O-N 2.83Å; L12-A263 HydrophobicContact CD2-CB 4.02Å |
| 13 | V | 69.3 | Low | 73 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 22% | 0.218 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | 170.7 | 166.3 | 0 | 0 | 0 | 0 | 111.2 | T9 K10 L11 A15 G16 I17 L129 | T9-V13 WeakPolarHBondContact O-CG2 3.22Å; T9-V13 PolarHBondContact O-N 3.22Å; K10-V13 WeakPolarHBondContact O-CB 3.34Å; K10-V13 PolarHBondContact O-N 3.11Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 2.97Å; V13-A15 VanDerWaalsContact C-N 3.32Å; V13-A15 PolarHBondContact O-N 2.99Å; V13-G16 PolarHBondContact O-N 2.91Å; V13-G16 VanDerWaalsContact O-N 3.16Å; V13-I17 HydrophobicContact CG1-CD1 4.07Å; V13-I17 PolarHBondContact O-N 3.4Å; V13-L129 HydrophobicContact CB-CD1 3.93Å; V13-L129 HydrophobicContact CG1-CD1 3.42Å; V13-L129 VanDerWaalsContact CG1-CD1 3.42Å; V13-L129 HydrophobicContact CG1-CD2 3.73Å; V13-L129 HydrophobicContact CG1-CG 4.17Å; V13-L129 HydrophobicContact CG2-CD1 3.41Å; V13-L129 VanDerWaalsContact CG2-CD1 3.41Å |
| 14 | F | 76.5 | Confident | 73.4 | Confident | 98 Ų | 98 | 41.4 Ų | 41.4 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.8 | -35.7 | -176.5 | -168.7 | -115.5 | 0 | 0 | 0 | 113 | K10 L11 G16 I17 L18 T47 | K10-F14 WeakPolarHBondContact O-CB 3.47Å; K10-F14 PolarHBondContact O-N 3.32Å; L11-F14 PolarHBondContact O-N 2.95Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 2.73Å; F14-I17 PolarHBondContact O-N 3.28Å; F14-I17 VanDerWaalsContact O-N 3.16Å; F14-L18 HydrophobicContact CD1-CD1 3.79Å; F14-L18 HydrophobicContact CD1-CG 4.25Å; F14-L18 HydrophobicContact CE1-CD1 3.64Å; F14-L18 HydrophobicContact CE1-CD2 4.33Å; F14-L18 HydrophobicContact CE1-CG 4.05Å; F14-L18 HydrophobicContact CZ-CD1 4.39Å; F14-L18 HydrophobicContact CZ-CD2 4.3Å; F14-L18 HydrophobicContact CZ-CG 4.35Å; F14-L18 PolarHBondContact O-N 2.82Å; F14-T47 HydrophobicContact CB-CG2 4.45Å; F14-T47 HydrophobicContact CD1-CG2 3.97Å; F14-T47 WeakPolarHBondContact CD1-OG1 3.44Å |
| 15 | A | 75.3 | Confident | 74.1 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 5% | 0.05 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L11 V13 I17 L18 V19 L44 T47 | L11-A15 PolarHBondContact O-N 2.77Å; V13-A15 VanDerWaalsContact C-N 3.32Å; V13-A15 PolarHBondContact O-N 2.99Å; A15-I17 VanDerWaalsContact C-N 3.34Å; A15-I17 PolarHBondContact O-N 3.41Å; A15-L18 PolarHBondContact O-N 3.04Å; A15-V19 WeakPolarHBondContact O-CG2 3.44Å; A15-V19 PolarHBondContact O-N 3.05Å; A15-L44 HydrophobicContact CB-CD1 4.39Å; A15-T47 HydrophobicContact CB-CG2 3.94Å |
| 16 | G | 72.9 | Confident | 74.8 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 25% | 0.247 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | V13 F14 V19 N20 | V13-G16 PolarHBondContact O-N 2.91Å; V13-G16 VanDerWaalsContact O-N 3.16Å; F14-G16 VanDerWaalsContact C-N 3.33Å; F14-G16 PolarHBondContact O-N 2.73Å; G16-V19 PolarHBondContact O-N 3.25Å; G16-N20 PolarHBondContact O-N 3.37Å; G16-N20 VanDerWaalsContact O-N 3.1Å |
| 17 | I | 78.2 | Confident | 75.1 | Confident | 72 Ų | 72 | 40.6 Ų | 40.6 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.4 | -37.3 | 175.7 | -60.5 | 170.4 | 0 | 0 | 0 | 110.9 | V13 F14 A15 N20 K21 L129 | V13-I17 HydrophobicContact CG1-CD1 4.07Å; V13-I17 PolarHBondContact O-N 3.4Å; F14-I17 PolarHBondContact O-N 3.28Å; F14-I17 VanDerWaalsContact O-N 3.16Å; A15-I17 VanDerWaalsContact C-N 3.34Å; A15-I17 PolarHBondContact O-N 3.41Å; I17-N20 PolarHBondContact O-N 3.39Å; I17-K21 PolarHBondContact O-N 3.27Å; I17-K21 VanDerWaalsContact O-N 3.08Å; I17-L129 HydrophobicContact CD1-CD2 4.43Å |
| 18 | L | 81.9 | Confident | 75.1 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 174.4 | -72.9 | 174 | 0 | 0 | 0 | 112.4 | F14 A15 N20 K21 I22 L40 A43 L44 T47 | F14-L18 HydrophobicContact CD1-CD1 3.79Å; F14-L18 HydrophobicContact CD1-CG 4.25Å; F14-L18 HydrophobicContact CE1-CD1 3.64Å; F14-L18 HydrophobicContact CE1-CD2 4.33Å; F14-L18 HydrophobicContact CE1-CG 4.05Å; F14-L18 HydrophobicContact CZ-CD1 4.39Å; F14-L18 HydrophobicContact CZ-CD2 4.3Å; F14-L18 HydrophobicContact CZ-CG 4.35Å; F14-L18 PolarHBondContact O-N 2.82Å; A15-L18 PolarHBondContact O-N 3.04Å; L18-N20 VanDerWaalsContact C-N 3.33Å; L18-N20 PolarHBondContact O-N 2.96Å; L18-K21 PolarHBondContact O-N 3.05Å; L18-I22 WeakPolarHBondContact O-CG1 3.34Å; L18-I22 PolarHBondContact O-N 3.35Å; L18-L40 HydrophobicContact CD2-CD2 4.22Å; L18-A43 HydrophobicContact CD1-CB 4.21Å; L18-A43 HydrophobicContact CD2-CB 4.13Å; L18-L44 HydrophobicContact CB-CD1 4.27Å; L18-L44 HydrophobicContact CD1-CB 4.43Å; L18-T47 WeakPolarHBondContact CD1-OG1 3.46Å |
| 19 | V | 78.1 | Confident | 74.6 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.2 | -51.1 | 170.9 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | A15 G16 K21 I22 L23 M916 I920 | A15-V19 WeakPolarHBondContact O-CG2 3.44Å; A15-V19 PolarHBondContact O-N 3.05Å; G16-V19 PolarHBondContact O-N 3.25Å; V19-K21 PolarHBondContact O-N 2.9Å; V19-I22 PolarHBondContact O-N 2.84Å; V19-I22 VanDerWaalsContact O-N 3.12Å; V19-L23 HydrophobicContact CG1-CD1 4.19Å; V19-L23 WeakPolarHBondContact O-CG 3.48Å; V19-L23 PolarHBondContact O-N 3.48Å; V19-M916 HydrophobicContact CB-CE 4.34Å; V19-M916 HydrophobicContact CG1-SD 4.08Å; V19-M916 HydrophobicContact CG2-CE 3.94Å; V19-M916 HydrophobicContact CG2-SD 4.39Å; V19-I920 HydrophobicContact CG2-CD1 3.21Å |
| 20 | N | 76.3 | Confident | 74.4 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.5 | -48.5 | -179.8 | -164 | 34.7 | 0 | 0 | 0 | 111.6 | G16 I17 L18 I22 L23 T24 | G16-N20 PolarHBondContact O-N 3.37Å; G16-N20 VanDerWaalsContact O-N 3.1Å; I17-N20 PolarHBondContact O-N 3.39Å; L18-N20 VanDerWaalsContact C-N 3.33Å; L18-N20 PolarHBondContact O-N 2.96Å; N20-I22 VanDerWaalsContact C-N 3.31Å; N20-I22 PolarHBondContact O-N 2.57Å; N20-L23 WeakPolarHBondContact O-CB 3.34Å; N20-L23 PolarHBondContact O-N 2.81Å; N20-L23 VanDerWaalsContact O-N 3.12Å; N20-T24 PolarHBondContact O-N 3.35Å; N20-T24 PolarHBondContact O-OG1 3.08Å |
| 21 | K | 82.1 | Confident | 74 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.7 | -33.9 | 177 | -73.9 | -169.2 | 173.4 | -166.2 | 0 | 114.1 | I17 L18 V19 T24 Y25 L40 | I17-K21 PolarHBondContact O-N 3.27Å; I17-K21 VanDerWaalsContact O-N 3.08Å; L18-K21 PolarHBondContact O-N 3.05Å; V19-K21 PolarHBondContact O-N 2.9Å; K21-T24 PolarHBondContact O-N 2.72Å; K21-Y25 PolarHBondContact O-N 3.36Å; K21-L40 HydrophobicContact CB-CD1 4.3Å; K21-L40 HydrophobicContact CB-CD2 4.26Å; K21-L40 HydrophobicContact CD-CD2 4.42Å |
| 22 | I | 82.9 | Confident | 73.8 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 175.9 | -71.9 | 165.1 | 0 | 0 | 0 | 110.5 | L18 V19 N20 Y25 I26 L40 L44 V899 V900 M916 | L18-I22 WeakPolarHBondContact O-CG1 3.34Å; L18-I22 PolarHBondContact O-N 3.35Å; V19-I22 PolarHBondContact O-N 2.84Å; V19-I22 VanDerWaalsContact O-N 3.12Å; N20-I22 VanDerWaalsContact C-N 3.31Å; N20-I22 PolarHBondContact O-N 2.57Å; I22-Y25 WeakPolarHBondContact O-CB 3.35Å; I22-Y25 PolarHBondContact O-N 3.01Å; I22-I26 HydrophobicContact CG2-CD1 3.95Å; I22-I26 VanDerWaalsContact O-CD1 3.27Å; I22-I26 WeakPolarHBondContact O-CD1 3.47Å; I22-I26 VanDerWaalsContact O-CG1 3.22Å; I22-I26 WeakPolarHBondContact O-CG1 3.36Å; I22-I26 PolarHBondContact O-N 3.17Å; I22-I26 VanDerWaalsContact O-N 3.12Å; I22-L40 HydrophobicContact CD1-CB 3.98Å; I22-L40 HydrophobicContact CG1-CB 3.59Å; I22-L40 HydrophobicContact CG1-CD1 4.15Å; I22-L40 HydrophobicContact CG1-CG 4.44Å; I22-L44 HydrophobicContact CD1-CB 4.37Å; I22-L44 HydrophobicContact CD1-CD2 4.19Å; I22-V899 HydrophobicContact CG2-CG1 4.24Å; I22-V900 HydrophobicContact CG2-CG2 4.32Å; I22-M916 HydrophobicContact CB-CE 3.85Å; I22-M916 HydrophobicContact CB-SD 4.4Å; I22-M916 HydrophobicContact CD1-CE 3.45Å; I22-M916 VanDerWaalsContact CD1-CE 3.45Å; I22-M916 HydrophobicContact CG1-CE 4.22Å; I22-M916 HydrophobicContact CG2-CE 3.71Å; I22-M916 HydrophobicContact CG2-SD 3.93Å |
| 23 | L | 77.1 | Confident | 74.4 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 172.2 | -61.5 | 174.5 | 0 | 0 | 0 | 111.8 | V19 N20 Y25 I26 E27 Q252 | V19-L23 HydrophobicContact CG1-CD1 4.19Å; V19-L23 WeakPolarHBondContact O-CG 3.48Å; V19-L23 PolarHBondContact O-N 3.48Å; N20-L23 WeakPolarHBondContact O-CB 3.34Å; N20-L23 PolarHBondContact O-N 2.81Å; N20-L23 VanDerWaalsContact O-N 3.12Å; L23-Y25 VanDerWaalsContact C-N 3.27Å; L23-Y25 PolarHBondContact O-N 2.95Å; L23-I26 HydrophobicContact CD2-CD1 4.36Å; L23-I26 PolarHBondContact O-N 3.08Å; L23-I26 VanDerWaalsContact O-N 3.11Å; L23-E27 PolarHBondContact O-N 2.86Å; L23-Q252 HydrophobicContact CB-CG 4.14Å |
| 24 | T | 76.6 | Confident | 74.9 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.4 | -36.4 | 175.3 | -38 | 0 | 0 | 0 | 0 | 112.7 | N20 K21 S28 Q252 | N20-T24 PolarHBondContact O-N 3.35Å; N20-T24 PolarHBondContact O-OG1 3.08Å; K21-T24 PolarHBondContact O-N 2.72Å; T24-S28 PolarHBondContact O-N 2.98Å; T24-S28 PolarHBondContact O-OG 3.01Å; T24-Q252 PolarHBondContact OG1-OE1 3.13Å |
| 25 | Y | 80.7 | Confident | 75.3 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 7% | 0.071 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 173.8 | 176.6 | -96.2 | 0 | 0 | 0 | 111.8 | K21 I22 L23 E27 S28 S32 V34 V900 | K21-Y25 PolarHBondContact O-N 3.36Å; I22-Y25 WeakPolarHBondContact O-CB 3.35Å; I22-Y25 PolarHBondContact O-N 3.01Å; L23-Y25 VanDerWaalsContact C-N 3.27Å; L23-Y25 PolarHBondContact O-N 2.95Å; Y25-E27 VanDerWaalsContact C-N 3.35Å; Y25-E27 PolarHBondContact O-N 2.82Å; Y25-S28 CarbonylContact O-C 3.58Å; Y25-S28 PolarHBondContact O-N 3.34Å; Y25-S32 WeakPolarHBondContact CD2-OG 3.3Å; Y25-S32 WeakPolarHBondContact CE2-OG 3.07Å; Y25-V34 WeakPolarHBondContact OH-CA 3.48Å; Y25-V900 HydrophobicContact CE1-CG1 4.02Å |
| 26 | I | 76.4 | Confident | 75.9 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | -179 | -67.2 | 157.8 | 0 | 0 | 0 | 111.7 | I22 L23 S28 V899 N904 P909 K912 | I22-I26 HydrophobicContact CG2-CD1 3.95Å; I22-I26 VanDerWaalsContact O-CD1 3.27Å; I22-I26 WeakPolarHBondContact O-CD1 3.47Å; I22-I26 VanDerWaalsContact O-CG1 3.22Å; I22-I26 WeakPolarHBondContact O-CG1 3.36Å; I22-I26 PolarHBondContact O-N 3.17Å; I22-I26 VanDerWaalsContact O-N 3.12Å; L23-I26 HydrophobicContact CD2-CD1 4.36Å; L23-I26 PolarHBondContact O-N 3.08Å; L23-I26 VanDerWaalsContact O-N 3.11Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 2.9Å; I26-V899 HydrophobicContact CD1-CG1 3.37Å; I26-V899 HydrophobicContact CG1-CG1 4.4Å; I26-N904 WeakPolarHBondContact CG2-OD1 3.45Å; I26-N904 PolarHBondContact O-ND2 3.15Å; I26-P909 HydrophobicContact CG2-CB 3.92Å; I26-P909 HydrophobicContact CG2-CG 4.08Å; I26-K912 HydrophobicContact CD1-CB 4.45Å; I26-K912 HydrophobicContact CD1-CD 4.46Å; I26-K912 HydrophobicContact CG2-CD 3.86Å |
| 27 | E | 71 | Confident | 76.4 | Confident | 64 Ų | 64 | 60.7 Ų | 60.7 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -75.3 | -15.8 | 178.6 | -74.2 | 174.8 | -146.8 | 0 | 0 | 113.9 | L23 Y25 T249 Q252 P909 | L23-E27 PolarHBondContact O-N 2.86Å; Y25-E27 VanDerWaalsContact C-N 3.35Å; Y25-E27 PolarHBondContact O-N 2.82Å; E27-T249 WeakPolarHBondContact OE2-CB 3.35Å; E27-T249 VanDerWaalsContact OE2-CG2 3.26Å; E27-T249 WeakPolarHBondContact OE2-CG2 3.36Å; E27-Q252 WeakPolarHBondContact OE1-CG 3.04Å; E27-Q252 PolarHBondContact OE1-NE2 3Å; E27-Q252 PolarHBondContact OE2-NE2 2.81Å; E27-P909 HydrophobicContact CG-CB 4.23Å; E27-P909 HydrophobicContact CG-CG 4.47Å |
| 28 | S | 69.7 | Low | 76.9 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 26% | 0.259 | 32% | 0.322 | S | S | . | . | trans | -142.4 | 55.1 | -177.6 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | T24 Y25 I26 E30 K31 | T24-S28 PolarHBondContact O-N 2.98Å; T24-S28 PolarHBondContact O-OG 3.01Å; Y25-S28 CarbonylContact O-C 3.58Å; Y25-S28 PolarHBondContact O-N 3.34Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 2.9Å; S28-E30 VanDerWaalsContact C-N 3.28Å; S28-E30 PolarHBondContact O-N 2.89Å; S28-K31 PolarHBondContact O-N 3.3Å; S28-K31 VanDerWaalsContact O-N 3.14Å | ||
| 29 | P | 62.7 | Low | 77.3 | Confident | 58 Ų | 58 | 61 Ų | 61 | 38% | 0.377 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -62.2 | -31.8 | -169.5 | 25.9 | -35.3 | 0 | 0 | 0 | 113.4 | K31 S32 | P29-K31 PolarHBondContact O-N 2.87Å; P29-K31 VanDerWaalsContact O-N 3.1Å; P29-S32 PolarHBondContact O-N 2.78Å |
| 30 | E | 59.8 | Low | 77.9 | Confident | 196 Ų | 196 | 61.3 Ų | 61.3 | 92% | 0.916 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -59.6 | -22.8 | 179.1 | -59.5 | -176.9 | 155.1 | 0 | 0 | 113.8 | S28 | S28-E30 VanDerWaalsContact C-N 3.28Å; S28-E30 PolarHBondContact O-N 2.89Å |
| 31 | K | 60.7 | Low | 78.5 | Confident | 179 Ų | 179 | 59.2 Ų | 59.2 | 78% | 0.778 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -86 | -6.2 | -176 | -64.8 | -178.1 | -178.4 | 172.5 | 0 | 114.1 | S28 P29 | S28-K31 PolarHBondContact O-N 3.3Å; S28-K31 VanDerWaalsContact O-N 3.14Å; P29-K31 PolarHBondContact O-N 2.87Å; P29-K31 VanDerWaalsContact O-N 3.1Å |
| 32 | S | 70.9 | Confident | 79 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -157.4 | 149.2 | -174 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | Y25 P29 | Y25-S32 WeakPolarHBondContact CD2-OG 3.3Å; Y25-S32 WeakPolarHBondContact CE2-OG 3.07Å; P29-S32 PolarHBondContact O-N 2.78Å |
| 33 | T | 82.3 | Confident | 79.4 | Confident | 98 Ų | 98 | 58.4 Ų | 58.4 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | trans | -71 | 151.8 | -172.5 | 60.1 | 0 | 0 | 0 | 0 | 113 | A35 H36 | T33-A35 PolarHBondContact O-N 3.28Å; T33-H36 WeakPolarHBondContact O-CA 3.38Å; T33-H36 VanDerWaalsContact O-CB 3.23Å; T33-H36 WeakPolarHBondContact O-CB 3.4Å; T33-H36 PolarHBondContact O-N 3.47Å | ||
| 34 | V | 81.4 | Confident | 79.9 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.1 | -33.4 | 175 | -178.1 | 0 | 0 | 0 | 0 | 112 | Y25 H36 G37 V38 L901 | Y25-V34 WeakPolarHBondContact OH-CA 3.48Å; V34-H36 PolarHBondContact O-N 3.14Å; V34-G37 PolarHBondContact O-N 2.87Å; V34-V38 HydrophobicContact CG1-CG2 4.26Å; V34-V38 WeakPolarHBondContact O-CG2 3.4Å; V34-V38 PolarHBondContact O-N 3.11Å; V34-L901 HydrophobicContact CG1-CD2 4.05Å |
| 35 | A | 84.5 | Confident | 80.7 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.5 | -31.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T33 G39 | T33-A35 PolarHBondContact O-N 3.28Å; A35-G39 PolarHBondContact O-N 3.09Å |
| 36 | H | 86.9 | Confident | 81.2 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.6 | -48.3 | 174.2 | -168.3 | 77 | 0 | 0 | 0 | 111.5 | T33 V34 V38 G39 L40 | T33-H36 WeakPolarHBondContact O-CA 3.38Å; T33-H36 VanDerWaalsContact O-CB 3.23Å; T33-H36 WeakPolarHBondContact O-CB 3.4Å; T33-H36 PolarHBondContact O-N 3.47Å; V34-H36 PolarHBondContact O-N 3.14Å; H36-V38 PolarHBondContact O-N 2.87Å; H36-G39 PolarHBondContact O-N 3.35Å; H36-L40 WeakPolarHBondContact O-CG 3.45Å; H36-L40 PolarHBondContact O-N 3.09Å |
| 37 | G | 84.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V34 G39 L40 A41 | V34-G37 PolarHBondContact O-N 2.87Å; G37-G39 VanDerWaalsContact C-N 3.35Å; G37-G39 PolarHBondContact O-N 2.58Å; G37-L40 PolarHBondContact O-N 3.36Å; G37-A41 PolarHBondContact O-N 2.87Å |
| 38 | V | 88.7 | Confident | 82.5 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 30% | 0.297 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 175.2 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | V34 H36 L40 A41 V42 L897 V900 L901 | V34-V38 HydrophobicContact CG1-CG2 4.26Å; V34-V38 WeakPolarHBondContact O-CG2 3.4Å; V34-V38 PolarHBondContact O-N 3.11Å; H36-V38 PolarHBondContact O-N 2.87Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 2.93Å; V38-A41 PolarHBondContact O-N 2.93Å; V38-V42 WeakPolarHBondContact O-CG2 3.49Å; V38-V42 PolarHBondContact O-N 2.98Å; V38-L897 HydrophobicContact CG1-CD2 4.1Å; V38-L897 HydrophobicContact CG2-CD2 4.39Å; V38-V900 HydrophobicContact CG2-CG1 4.37Å; V38-L901 HydrophobicContact CG2-CD2 4.5Å |
| 39 | G | 90.6 | Very high | 83.4 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | A35 H36 G37 V42 A43 | A35-G39 PolarHBondContact O-N 3.09Å; H36-G39 PolarHBondContact O-N 3.35Å; G37-G39 VanDerWaalsContact C-N 3.35Å; G37-G39 PolarHBondContact O-N 2.58Å; G39-V42 PolarHBondContact O-N 2.9Å; G39-A43 WeakPolarHBondContact O-CB 3.4Å; G39-A43 PolarHBondContact O-N 3.24Å |
| 40 | L | 89.6 | Confident | 84.7 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -42 | 174.1 | -68.7 | 171.1 | 0 | 0 | 0 | 112.1 | L18 K21 I22 H36 G37 V38 V42 A43 L44 | L18-L40 HydrophobicContact CD2-CD2 4.22Å; K21-L40 HydrophobicContact CB-CD1 4.3Å; K21-L40 HydrophobicContact CB-CD2 4.26Å; K21-L40 HydrophobicContact CD-CD2 4.42Å; I22-L40 HydrophobicContact CD1-CB 3.98Å; I22-L40 HydrophobicContact CG1-CB 3.59Å; I22-L40 HydrophobicContact CG1-CD1 4.15Å; I22-L40 HydrophobicContact CG1-CG 4.44Å; H36-L40 WeakPolarHBondContact O-CG 3.45Å; H36-L40 PolarHBondContact O-N 3.09Å; G37-L40 PolarHBondContact O-N 3.36Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 2.93Å; L40-V42 PolarHBondContact O-N 3.35Å; L40-A43 PolarHBondContact O-N 3.18Å; L40-L44 PolarHBondContact O-N 3.26Å |
| 41 | A | 90.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G37 V38 L44 F45 A896 L897 | G37-A41 PolarHBondContact O-N 2.87Å; V38-A41 PolarHBondContact O-N 2.93Å; A41-L44 PolarHBondContact O-N 3.15Å; A41-F45 PolarHBondContact O-N 2.76Å; A41-F45 VanDerWaalsContact O-N 3.1Å; A41-A896 HydrophobicContact CB-CB 3.83Å; A41-L897 HydrophobicContact CB-CD2 4.05Å; A41-L897 HydrophobicContact CB-CG 4.39Å |
| 42 | V | 91.7 | Very high | 87.1 | Confident | 67 Ų | 67 | 41.6 Ų | 41.6 | 41% | 0.406 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | V38 G39 L40 L44 F45 C46 L893 | V38-V42 WeakPolarHBondContact O-CG2 3.49Å; V38-V42 PolarHBondContact O-N 2.98Å; G39-V42 PolarHBondContact O-N 2.9Å; L40-V42 PolarHBondContact O-N 3.35Å; V42-L44 VanDerWaalsContact C-N 3.29Å; V42-L44 PolarHBondContact O-N 2.76Å; V42-F45 PolarHBondContact O-N 2.79Å; V42-C46 PolarHBondContact O-N 2.93Å; V42-C46 PolarHBondContact O-SG 3.3Å; V42-C46 VanDerWaalsContact O-SG 3.39Å; V42-L893 HydrophobicContact CG2-CD1 4.4Å |
| 43 | A | 90.8 | Very high | 87.9 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L18 G39 L40 T47 | L18-A43 HydrophobicContact CD1-CB 4.21Å; L18-A43 HydrophobicContact CD2-CB 4.13Å; G39-A43 WeakPolarHBondContact O-CB 3.4Å; G39-A43 PolarHBondContact O-N 3.24Å; L40-A43 PolarHBondContact O-N 3.18Å; A43-T47 WeakPolarHBondContact O-CB 3.48Å; A43-T47 PolarHBondContact O-N 3.1Å; A43-T47 PolarHBondContact O-OG1 3.34Å |
| 44 | L | 89.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 174.1 | -179.3 | 65.3 | 0 | 0 | 0 | 111.5 | A15 L18 I22 L40 A41 V42 C46 T47 E48 T892 A896 M916 I920 | A15-L44 HydrophobicContact CB-CD1 4.39Å; L18-L44 HydrophobicContact CB-CD1 4.27Å; L18-L44 HydrophobicContact CD1-CB 4.43Å; I22-L44 HydrophobicContact CD1-CB 4.37Å; I22-L44 HydrophobicContact CD1-CD2 4.19Å; L40-L44 PolarHBondContact O-N 3.26Å; A41-L44 PolarHBondContact O-N 3.15Å; V42-L44 VanDerWaalsContact C-N 3.29Å; V42-L44 PolarHBondContact O-N 2.76Å; L44-C46 PolarHBondContact O-N 3.17Å; L44-T47 WeakPolarHBondContact O-CB 3.47Å; L44-T47 PolarHBondContact O-N 2.9Å; L44-T47 VanDerWaalsContact O-N 3.16Å; L44-E48 PolarHBondContact O-N 2.71Å; L44-T892 HydrophobicContact CD2-CG2 3.93Å; L44-T892 HydrophobicContact CG-CG2 4.22Å; L44-A896 HydrophobicContact CD2-CB 4.29Å; L44-M916 HydrophobicContact CD2-CE 3.42Å; L44-M916 VanDerWaalsContact CD2-CE 3.42Å; L44-I920 HydrophobicContact CD1-CD1 4.31Å; L44-I920 HydrophobicContact CD2-CD1 4.28Å |
| 45 | F | 91.5 | Very high | 88.3 | Confident | 42 Ų | 42 | 37.4 Ų | 37.4 | 18% | 0.184 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.4 | -48.3 | 174.3 | 170.4 | -107 | 0 | 0 | 0 | 112.4 | A41 V42 T47 E48 F49 F886 A889 L893 | A41-F45 PolarHBondContact O-N 2.76Å; A41-F45 VanDerWaalsContact O-N 3.1Å; V42-F45 PolarHBondContact O-N 2.79Å; F45-T47 VanDerWaalsContact C-N 3.26Å; F45-T47 PolarHBondContact O-N 3.25Å; F45-E48 PolarHBondContact O-N 3.07Å; F45-F49 WeakPolarHBondContact O-CB 3.41Å; F45-F49 PolarHBondContact O-N 2.85Å; F45-F886 HydrophobicContact CZ-CE2 4.4Å; F45-A889 HydrophobicContact CD2-CB 4.13Å; F45-A889 WeakPolarHBondContact CD2-O 3.34Å; F45-A889 HydrophobicContact CE2-CB 4.03Å; F45-L893 HydrophobicContact CB-CB 3.96Å; F45-L893 HydrophobicContact CB-CD1 3.89Å; F45-L893 HydrophobicContact CB-CD2 4.39Å; F45-L893 HydrophobicContact CB-CG 4.28Å; F45-L893 HydrophobicContact CD1-CD2 4.22Å; F45-L893 HydrophobicContact CD2-CB 3.83Å; F45-L893 HydrophobicContact CD2-CD2 4.21Å; F45-L893 HydrophobicContact CG-CB 4.03Å; F45-L893 HydrophobicContact CG-CD1 4.4Å; F45-L893 HydrophobicContact CG-CD2 3.99Å; F45-L893 HydrophobicContact CG-CG 4.36Å |
| 46 | C | 91.3 | Very high | 88.4 | Confident | 57 Ų | 57 | 34.5 Ų | 34.5 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.3 | -37 | 176.6 | -70 | 0 | 0 | 0 | 0 | 112 | V42 L44 L50 | V42-C46 PolarHBondContact O-N 2.93Å; V42-C46 PolarHBondContact O-SG 3.3Å; V42-C46 VanDerWaalsContact O-SG 3.39Å; L44-C46 PolarHBondContact O-N 3.17Å; C46-L50 WeakPolarHBondContact O-CB 3.37Å; C46-L50 WeakPolarHBondContact O-CG 3.42Å; C46-L50 PolarHBondContact O-N 3.2Å |
| 47 | T | 89.4 | Confident | 88.4 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.7 | -45.4 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | L11 F14 A15 L18 A43 L44 F45 L50 K51 | L11-T47 HydrophobicContact CB-CG2 4.35Å; L11-T47 HydrophobicContact CD2-CG2 4.07Å; L11-T47 WeakPolarHBondContact O-CG2 3.39Å; F14-T47 HydrophobicContact CB-CG2 4.45Å; F14-T47 HydrophobicContact CD1-CG2 3.97Å; F14-T47 WeakPolarHBondContact CD1-OG1 3.44Å; A15-T47 HydrophobicContact CB-CG2 3.94Å; L18-T47 WeakPolarHBondContact CD1-OG1 3.46Å; A43-T47 WeakPolarHBondContact O-CB 3.48Å; A43-T47 PolarHBondContact O-N 3.1Å; A43-T47 PolarHBondContact O-OG1 3.34Å; L44-T47 WeakPolarHBondContact O-CB 3.47Å; L44-T47 PolarHBondContact O-N 2.9Å; L44-T47 VanDerWaalsContact O-N 3.16Å; F45-T47 VanDerWaalsContact C-N 3.26Å; F45-T47 PolarHBondContact O-N 3.25Å; T47-L50 PolarHBondContact O-N 2.75Å; T47-K51 VanDerWaalsContact O-CB 3.27Å; T47-K51 WeakPolarHBondContact O-CB 3.43Å; T47-K51 PolarHBondContact O-N 2.95Å |
| 48 | E | 86.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 175.2 | -74.4 | -62.8 | 105.9 | 0 | 0 | 112 | L44 F45 K51 A52 A889 T892 T923 | L44-E48 PolarHBondContact O-N 2.71Å; F45-E48 PolarHBondContact O-N 3.07Å; E48-K51 WeakPolarHBondContact O-CB 3.43Å; E48-K51 PolarHBondContact O-N 2.95Å; E48-K51 VanDerWaalsContact OE1-CE 3.3Å; E48-K51 WeakPolarHBondContact OE1-CE 3.34Å; E48-K51 IonicContact OE1-NZ 2.89Å; E48-K51 PolarHBondContact OE1-NZ 3.24Å; E48-K51 WeakPolarHBondContact OE2-CE 3.15Å; E48-K51 IonicContact OE2-NZ 2.62Å; E48-K51 PolarHBondContact OE2-NZ 2.89Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 3.48Å; E48-A889 HydrophobicContact CB-CB 3.97Å; E48-T892 HydrophobicContact CG-CG2 4.28Å; E48-T923 WeakPolarHBondContact OE2-CB 3.49Å; E48-T923 WeakPolarHBondContact OE2-CG2 3.26Å; E48-T923 PolarHBondContact OE2-OG1 3.32Å |
| 49 | F | 89.3 | Confident | 88.3 | Confident | 65 Ų | 65 | 32.5 Ų | 32.5 | 29% | 0.285 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.3 | -48 | 176.2 | 176.9 | -107.2 | 0 | 0 | 0 | 112.1 | F45 K51 A52 F53 F882 F886 | F45-F49 WeakPolarHBondContact O-CB 3.41Å; F45-F49 PolarHBondContact O-N 2.85Å; F49-K51 VanDerWaalsContact C-N 3.32Å; F49-K51 PolarHBondContact O-N 3.45Å; F49-A52 WeakPolarHBondContact O-CB 2.95Å; F49-A52 PolarHBondContact O-N 2.99Å; F49-F53 WeakPolarHBondContact O-CB 3.25Å; F49-F53 PolarHBondContact O-N 3.29Å; F49-F882 HydrophobicContact CE2-CE2 4.21Å; F49-F882 AromaticContact CE2-CZ 3.87Å; F49-F882 HydrophobicContact CE2-CZ 3.87Å; F49-F882 HydrophobicContact CZ-CZ 4.31Å; F49-F886 AromaticContact CD2-CD2 3.76Å; F49-F886 HydrophobicContact CD2-CD2 3.76Å; F49-F886 HydrophobicContact CD2-CE2 4.19Å; F49-F886 AromaticContact CE2-CD2 3.76Å; F49-F886 HydrophobicContact CE2-CD2 3.76Å; F49-F886 HydrophobicContact CE2-CE2 4.12Å |
| 50 | L | 89.4 | Confident | 88.2 | Confident | 67 Ų | 67 | 32.9 Ų | 32.9 | 35% | 0.351 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 176.2 | -71 | 169.8 | 0 | 0 | 0 | 111.3 | L11 C46 T47 A52 F53 F54 | L11-L50 HydrophobicContact CD1-CB 3.66Å; L11-L50 HydrophobicContact CD2-CB 4.27Å; L11-L50 HydrophobicContact CD2-CD1 4.44Å; C46-L50 WeakPolarHBondContact O-CB 3.37Å; C46-L50 WeakPolarHBondContact O-CG 3.42Å; C46-L50 PolarHBondContact O-N 3.2Å; T47-L50 PolarHBondContact O-N 2.75Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 2.85Å; L50-F53 PolarHBondContact O-N 2.79Å; L50-F54 HydrophobicContact CB-CD2 4.33Å; L50-F54 HydrophobicContact CB-CE2 4.4Å; L50-F54 HydrophobicContact CD2-CE2 4.19Å; L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CD2 3.38Å; L50-F54 PolarHBondContact O-N 2.88Å |
| 51 | K | 85.3 | Confident | 88.1 | Confident | 25 Ų | 25 | 34.8 Ų | 34.8 | 11% | 0.109 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 173.4 | -175.5 | -173 | 72.1 | -176.8 | 0 | 111.4 | R8 T47 E48 F49 I55 | R8-K51 HydrophobicContact CG-CG 4.28Å; T47-K51 VanDerWaalsContact O-CB 3.27Å; T47-K51 WeakPolarHBondContact O-CB 3.43Å; T47-K51 PolarHBondContact O-N 2.95Å; E48-K51 WeakPolarHBondContact O-CB 3.43Å; E48-K51 PolarHBondContact O-N 2.95Å; E48-K51 VanDerWaalsContact OE1-CE 3.3Å; E48-K51 WeakPolarHBondContact OE1-CE 3.34Å; E48-K51 IonicContact OE1-NZ 2.89Å; E48-K51 PolarHBondContact OE1-NZ 3.24Å; E48-K51 WeakPolarHBondContact OE2-CE 3.15Å; E48-K51 IonicContact OE2-NZ 2.62Å; E48-K51 PolarHBondContact OE2-NZ 2.89Å; F49-K51 VanDerWaalsContact C-N 3.32Å; F49-K51 PolarHBondContact O-N 3.45Å; K51-I55 VanDerWaalsContact O-CG2 3.27Å; K51-I55 WeakPolarHBondContact O-CG2 3.34Å; K51-I55 PolarHBondContact O-N 3.03Å |
| 52 | A | 85.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E48 F49 L50 I55 S56 D885 | E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 3.48Å; F49-A52 WeakPolarHBondContact O-CB 2.95Å; F49-A52 PolarHBondContact O-N 2.99Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 2.85Å; A52-I55 VanDerWaalsContact O-CG2 3.24Å; A52-I55 WeakPolarHBondContact O-CG2 3.46Å; A52-S56 WeakPolarHBondContact O-CB 3.5Å; A52-S56 PolarHBondContact O-N 3.37Å; A52-S56 PolarHBondContact O-OG 3.3Å; A52-D885 HydrophobicContact CB-CB 3.67Å |
| 53 | F | 88.5 | Confident | 88 | Confident | 88 Ų | 88 | 31.9 Ų | 31.9 | 39% | 0.386 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.7 | -51.9 | 175.5 | -179.3 | -99.9 | 0 | 0 | 0 | 111.7 | F49 L50 I55 S56 L57 F882 | F49-F53 WeakPolarHBondContact O-CB 3.25Å; F49-F53 PolarHBondContact O-N 3.29Å; L50-F53 PolarHBondContact O-N 2.79Å; F53-I55 PolarHBondContact O-N 3.19Å; F53-S56 PolarHBondContact O-N 2.87Å; F53-S56 VanDerWaalsContact O-N 3.17Å; F53-L57 HydrophobicContact CE1-CD2 4.12Å; F53-L57 WeakPolarHBondContact O-CB 3.32Å; F53-L57 PolarHBondContact O-N 2.79Å; F53-F882 HydrophobicContact CB-CE2 4.34Å; F53-F882 HydrophobicContact CD2-CE2 4.18Å |
| 54 | F | 87.8 | Confident | 88 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -34.5 | -177.7 | -79.1 | -64.1 | 0 | 0 | 0 | 113.3 | A4 T7 R8 L11 L50 L57 M58 | A4-F54 HydrophobicContact CB-CD1 3.97Å; T7-F54 HydrophobicContact CG2-CD2 3.78Å; T7-F54 HydrophobicContact CG2-CE1 4.35Å; T7-F54 HydrophobicContact CG2-CE2 3.52Å; T7-F54 HydrophobicContact CG2-CG 4.32Å; T7-F54 HydrophobicContact CG2-CZ 3.84Å; R8-F54 HydrophobicContact CB-CB 4.36Å; L11-F54 HydrophobicContact CD1-CD2 3.66Å; L11-F54 HydrophobicContact CD1-CE2 4.11Å; L50-F54 HydrophobicContact CB-CD2 4.33Å; L50-F54 HydrophobicContact CB-CE2 4.4Å; L50-F54 HydrophobicContact CD2-CE2 4.19Å; L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CD2 3.38Å; L50-F54 PolarHBondContact O-N 2.88Å; F54-L57 HydrophobicContact CD1-CD2 4.33Å; F54-M58 VanDerWaalsContact O-CB 3.29Å; F54-M58 WeakPolarHBondContact O-CB 3.24Å; F54-M58 PolarHBondContact O-N 3.02Å |
| 55 | I | 83.1 | Confident | 88.1 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 172 | -168.1 | 47.9 | 0 | 0 | 0 | 111 | K51 A52 F53 M58 W59 | K51-I55 VanDerWaalsContact O-CG2 3.27Å; K51-I55 WeakPolarHBondContact O-CG2 3.34Å; K51-I55 PolarHBondContact O-N 3.03Å; A52-I55 VanDerWaalsContact O-CG2 3.24Å; A52-I55 WeakPolarHBondContact O-CG2 3.46Å; F53-I55 PolarHBondContact O-N 3.19Å; I55-M58 HydrophobicContact CD1-CE 3.62Å; I55-M58 HydrophobicContact CD1-SD 4.26Å; I55-M58 PolarHBondContact O-N 2.87Å; I55-W59 PolarHBondContact O-N 3.28Å |
| 56 | S | 86 | Confident | 88.1 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 12% | 0.119 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 112 | A52 F53 W59 A60 | A52-S56 WeakPolarHBondContact O-CB 3.5Å; A52-S56 PolarHBondContact O-N 3.37Å; A52-S56 PolarHBondContact O-OG 3.3Å; F53-S56 PolarHBondContact O-N 2.87Å; F53-S56 VanDerWaalsContact O-N 3.17Å; S56-W59 PolarHBondContact O-N 3.41Å; S56-A60 WeakPolarHBondContact O-CB 3.5Å; S56-A60 PolarHBondContact O-N 3.2Å |
| 57 | L | 86.9 | Confident | 88.1 | Confident | 71 Ų | 71 | 35.9 Ų | 35.9 | 37% | 0.372 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.2 | 177.4 | 61.1 | 0 | 0 | 0 | 112 | F53 F54 W59 A60 V61 | F53-L57 HydrophobicContact CE1-CD2 4.12Å; F53-L57 WeakPolarHBondContact O-CB 3.32Å; F53-L57 PolarHBondContact O-N 2.79Å; F54-L57 HydrophobicContact CD1-CD2 4.33Å; L57-W59 PolarHBondContact O-N 2.85Å; L57-A60 PolarHBondContact O-N 3.46Å; L57-V61 HydrophobicContact CD1-CG2 4.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.13Å; L57-V61 PolarHBondContact O-N 3.29Å |
| 58 | M | 85.7 | Confident | 88.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 177 | -175.1 | -149.5 | 77 | 0 | 0 | 111.4 | A4 L5 F54 I55 A60 V61 N62 F115 | A4-M58 HydrophobicContact CB-CB 4.29Å; L5-M58 HydrophobicContact CB-CG 4.41Å; L5-M58 HydrophobicContact CB-SD 3.84Å; L5-M58 HydrophobicContact CD1-SD 3.72Å; L5-M58 HydrophobicContact CD2-SD 3.92Å; L5-M58 HydrophobicContact CG-SD 4.03Å; F54-M58 VanDerWaalsContact O-CB 3.29Å; F54-M58 WeakPolarHBondContact O-CB 3.24Å; F54-M58 PolarHBondContact O-N 3.02Å; I55-M58 HydrophobicContact CD1-CE 3.62Å; I55-M58 HydrophobicContact CD1-SD 4.26Å; I55-M58 PolarHBondContact O-N 2.87Å; M58-A60 PolarHBondContact O-N 3.21Å; M58-V61 PolarHBondContact O-N 2.8Å; M58-N62 WeakPolarHBondContact O-CB 3.35Å; M58-N62 VanDerWaalsContact O-CG 3.3Å; M58-N62 PolarHBondContact O-N 3.09Å; M58-N62 PolarHBondContact O-OD1 2.98Å; M58-F115 HydrophobicContact CE-CE1 3.79Å; M58-F115 HydrophobicContact CE-CE2 4.29Å; M58-F115 HydrophobicContact CE-CZ 3.48Å; M58-F115 VanDerWaalsContact CE-CZ 3.48Å; M58-F115 HydrophobicContact SD-CE1 4.22Å; M58-F115 HydrophobicContact SD-CZ 4.48Å |
| 59 | W | 86.6 | Confident | 88.4 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 175.4 | -79.7 | 108.3 | 0 | 0 | 0 | 112.6 | I55 S56 L57 N62 L63 L111 F112 F115 R878 | I55-W59 PolarHBondContact O-N 3.28Å; S56-W59 PolarHBondContact O-N 3.41Å; L57-W59 PolarHBondContact O-N 2.85Å; W59-N62 PolarHBondContact O-N 2.85Å; W59-L63 WeakPolarHBondContact O-CB 3.26Å; W59-L63 PolarHBondContact O-N 3.28Å; W59-L111 HydrophobicContact CE3-CD1 3.67Å; W59-L111 HydrophobicContact CE3-CG 4.16Å; W59-L111 HydrophobicContact CZ3-CD1 3.63Å; W59-L111 HydrophobicContact CZ3-CD2 3.96Å; W59-L111 HydrophobicContact CZ3-CG 3.59Å; W59-F112 HydrophobicContact CH2-CD1 4.37Å; W59-F112 AromaticContact CH2-CE1 3.89Å; W59-F112 HydrophobicContact CH2-CE1 3.89Å; W59-F115 HydrophobicContact CH2-CE2 4.29Å; W59-F115 HydrophobicContact CZ2-CE2 4.04Å; W59-F115 AromaticContact CZ2-CZ 3.96Å; W59-F115 HydrophobicContact CZ2-CZ 3.96Å; W59-R878 HydrophobicContact CB-CG 4.49Å; W59-R878 VanDerWaalsContact CD2-NH1 3.26Å; W59-R878 VanDerWaalsContact CE3-CZ 3.46Å; W59-R878 VanDerWaalsContact CG-NH1 3.31Å |
| 60 | A | 87.4 | Confident | 88.5 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 39% | 0.388 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S56 L57 M58 R64 | S56-A60 WeakPolarHBondContact O-CB 3.5Å; S56-A60 PolarHBondContact O-N 3.2Å; L57-A60 PolarHBondContact O-N 3.46Å; M58-A60 PolarHBondContact O-N 3.21Å; A60-R64 WeakPolarHBondContact O-CB 3.5Å; A60-R64 PolarHBondContact O-N 2.99Å |
| 61 | V | 89 | Confident | 88.5 | Confident | 58 Ų | 58 | 41.9 Ų | 41.9 | 35% | 0.352 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.3 | -45 | 175.5 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | Q1 L57 M58 L63 R64 T65 | Q1-V61 HydrophobicContact CG-CB 4.4Å; Q1-V61 HydrophobicContact CG-CG1 3.61Å; L57-V61 HydrophobicContact CD1-CG2 4.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.13Å; L57-V61 PolarHBondContact O-N 3.29Å; M58-V61 PolarHBondContact O-N 2.8Å; V61-L63 VanDerWaalsContact C-N 3.33Å; V61-L63 PolarHBondContact O-N 2.96Å; V61-R64 PolarHBondContact O-N 3.04Å; V61-T65 PolarHBondContact O-N 2.87Å; V61-T65 PolarHBondContact O-OG1 3.37Å; V61-T65 VanDerWaalsContact O-OG1 3.12Å |
| 62 | N | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.2 | -47.1 | 175.1 | -74.9 | 18.4 | 0 | 0 | 0 | 111.2 | Q1 M58 W59 T65 A66 L111 S114 | Q1-N62 WeakPolarHBondContact CG-OD1 3.49Å; Q1-N62 PolarHBondContact NE2-OD1 3.42Å; M58-N62 WeakPolarHBondContact O-CB 3.35Å; M58-N62 VanDerWaalsContact O-CG 3.3Å; M58-N62 PolarHBondContact O-N 3.09Å; M58-N62 PolarHBondContact O-OD1 2.98Å; W59-N62 PolarHBondContact O-N 2.85Å; N62-T65 PolarHBondContact O-N 3.45Å; N62-A66 WeakPolarHBondContact O-CB 3.45Å; N62-A66 PolarHBondContact O-N 3.45Å; N62-L111 HydrophobicContact CB-CD1 4.26Å; N62-L111 PolarHBondContact ND2-O 3.03Å; N62-S114 PolarHBondContact ND2-OG 3.28Å |
| 63 | L | 90.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 178.3 | 176 | 64.7 | 0 | 0 | 0 | 112.3 | W59 V61 T65 A66 A67 F107 L871 H874 | W59-L63 WeakPolarHBondContact O-CB 3.26Å; W59-L63 PolarHBondContact O-N 3.28Å; V61-L63 VanDerWaalsContact C-N 3.33Å; V61-L63 PolarHBondContact O-N 2.96Å; L63-T65 PolarHBondContact O-N 3.15Å; L63-A66 PolarHBondContact O-N 3.35Å; L63-A67 WeakPolarHBondContact O-CB 3.42Å; L63-A67 PolarHBondContact O-N 3.16Å; L63-F107 HydrophobicContact CD1-CE2 3.84Å; L63-F107 HydrophobicContact CD1-CZ 3.69Å; L63-L871 HydrophobicContact CD1-CD1 4.48Å; L63-L871 HydrophobicContact CD2-CD1 3.93Å; L63-L871 HydrophobicContact CG-CD1 3.78Å; L63-H874 HydrophobicContact CD1-CB 3.43Å; L63-H874 VanDerWaalsContact CD1-CB 3.43Å; L63-H874 HydrophobicContact CD2-CB 3.52Å; L63-H874 HydrophobicContact CG-CB 4.12Å |
| 64 | R | 89.9 | Confident | 89.3 | Confident | 150 Ų | 150 | 39.4 Ų | 39.4 | 57% | 0.566 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.9 | -41 | -179.7 | -168.6 | -178.5 | -171.3 | -167.7 | 5.1 | 112 | A60 V61 R68 | A60-R64 WeakPolarHBondContact O-CB 3.5Å; A60-R64 PolarHBondContact O-N 2.99Å; V61-R64 PolarHBondContact O-N 3.04Å; R64-R68 WeakPolarHBondContact O-CD 3.5Å; R64-R68 WeakPolarHBondContact O-CG 3.48Å; R64-R68 PolarHBondContact O-N 2.9Å |
| 65 | T | 91.9 | Very high | 89.4 | Confident | 57 Ų | 57 | 38.7 Ų | 38.7 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.7 | -43.8 | 176.8 | -58 | 0 | 0 | 0 | 0 | 111.5 | V61 N62 L63 R68 L69 V110 | V61-T65 PolarHBondContact O-N 2.87Å; V61-T65 PolarHBondContact O-OG1 3.37Å; V61-T65 VanDerWaalsContact O-OG1 3.12Å; N62-T65 PolarHBondContact O-N 3.45Å; L63-T65 PolarHBondContact O-N 3.15Å; T65-R68 PolarHBondContact O-N 2.98Å; T65-L69 PolarHBondContact O-N 2.79Å; T65-V110 HydrophobicContact CG2-CG1 3.96Å |
| 66 | A | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N62 L63 L69 K70 F107 V110 | N62-A66 WeakPolarHBondContact O-CB 3.45Å; N62-A66 PolarHBondContact O-N 3.45Å; L63-A66 PolarHBondContact O-N 3.35Å; A66-L69 PolarHBondContact O-N 2.96Å; A66-K70 WeakPolarHBondContact O-CB 3.38Å; A66-K70 PolarHBondContact O-N 3.1Å; A66-F107 HydrophobicContact CB-CD2 3.3Å; A66-F107 HydrophobicContact CB-CE2 3.47Å; A66-F107 VanDerWaalsContact CB-CE2 3.47Å; A66-F107 HydrophobicContact CB-CG 4.01Å; A66-F107 HydrophobicContact CB-CZ 4.35Å; A66-V110 HydrophobicContact CB-CB 3.77Å; A66-V110 HydrophobicContact CB-CG1 3.76Å |
| 67 | A | 90.3 | Very high | 90.2 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L63 K70 G71 | L63-A67 WeakPolarHBondContact O-CB 3.42Å; L63-A67 PolarHBondContact O-N 3.16Å; A67-K70 PolarHBondContact O-N 3.23Å; A67-G71 PolarHBondContact O-N 3.18Å |
| 68 | R | 91.1 | Very high | 90.5 | Very high | 159 Ų | 159 | 38.1 Ų | 38.1 | 60% | 0.6 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -61.2 | -44.9 | 174.5 | -75.3 | 169.9 | 165.6 | -174.9 | -9.8 | 112.3 | R64 T65 G71 A72 | R64-R68 WeakPolarHBondContact O-CD 3.5Å; R64-R68 WeakPolarHBondContact O-CG 3.48Å; R64-R68 PolarHBondContact O-N 2.9Å; T65-R68 PolarHBondContact O-N 2.98Å; R68-G71 PolarHBondContact O-N 3.18Å; R68-A72 WeakPolarHBondContact O-CB 3.2Å; R68-A72 PolarHBondContact O-N 3.11Å |
| 69 | L | 91.6 | Very high | 90.8 | Very high | 73 Ų | 73 | 42 Ų | 42 | 38% | 0.382 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 179 | -175.2 | 64 | 0 | 0 | 0 | 111.8 | T65 A66 A72 F73 L106 V110 | T65-L69 PolarHBondContact O-N 2.79Å; A66-L69 PolarHBondContact O-N 2.96Å; L69-A72 PolarHBondContact O-N 3Å; L69-F73 WeakPolarHBondContact O-CB 3.41Å; L69-F73 PolarHBondContact O-N 2.86Å; L69-L106 HydrophobicContact CD2-CB 4.34Å; L69-L106 HydrophobicContact CD2-CD2 4.11Å; L69-L106 HydrophobicContact CG-CD2 4.31Å; L69-V110 HydrophobicContact CD2-CG2 3.43Å; L69-V110 VanDerWaalsContact CD2-CG2 3.43Å |
| 70 | K | 90.7 | Very high | 91 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 10% | 0.1 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.1 | -50.8 | 172.9 | 173.2 | -172.1 | 170.9 | -160.3 | 0 | 111.3 | A66 A67 A72 F73 S74 G103 F107 | A66-K70 WeakPolarHBondContact O-CB 3.38Å; A66-K70 PolarHBondContact O-N 3.1Å; A67-K70 PolarHBondContact O-N 3.23Å; K70-A72 PolarHBondContact O-N 3.15Å; K70-F73 PolarHBondContact O-N 2.98Å; K70-S74 PolarHBondContact O-N 3.4Å; K70-S74 VanDerWaalsContact O-N 3.09Å; K70-G103 WeakPolarHBondContact CG-O 3.43Å; K70-F107 HydrophobicContact CB-CB 4.45Å |
| 71 | G | 90.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 40 Ų | 40 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A67 R68 S75 N863 | A67-G71 PolarHBondContact O-N 3.18Å; R68-G71 PolarHBondContact O-N 3.18Å; G71-S75 WeakPolarHBondContact O-CB 3.1Å; G71-S75 PolarHBondContact O-N 3.15Å; G71-S75 VanDerWaalsContact O-N 3.11Å; G71-S75 PolarHBondContact O-OG 3.26Å; G71-N863 PolarHBondContact O-ND2 3.47Å; G71-N863 VanDerWaalsContact O-ND2 3.13Å |
| 72 | A | 91.3 | Very high | 91.2 | Very high | 46 Ų | 46 | 37.3 Ų | 37.3 | 38% | 0.38 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.6 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R68 L69 K70 S75 I76 | R68-A72 WeakPolarHBondContact O-CB 3.2Å; R68-A72 PolarHBondContact O-N 3.11Å; L69-A72 PolarHBondContact O-N 3Å; K70-A72 PolarHBondContact O-N 3.15Å; A72-S75 PolarHBondContact O-N 3.42Å; A72-I76 WeakPolarHBondContact O-CB 3.13Å; A72-I76 WeakPolarHBondContact O-CG1 3.3Å; A72-I76 PolarHBondContact O-N 2.92Å |
| 73 | F | 92.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.4 | -53.9 | 179.3 | 179.8 | -85.8 | 0 | 0 | 0 | 111.5 | L69 K70 S75 I76 A77 V98 D102 L106 L288 | L69-F73 WeakPolarHBondContact O-CB 3.41Å; L69-F73 PolarHBondContact O-N 2.86Å; K70-F73 PolarHBondContact O-N 2.98Å; F73-S75 VanDerWaalsContact C-N 3.32Å; F73-S75 PolarHBondContact O-N 3.35Å; F73-I76 PolarHBondContact O-N 3.38Å; F73-A77 VanDerWaalsContact O-CB 3.26Å; F73-A77 WeakPolarHBondContact O-CB 3.48Å; F73-A77 PolarHBondContact O-N 3.31Å; F73-V98 HydrophobicContact CE1-CG1 4Å; F73-V98 WeakPolarHBondContact CE1-O 3.42Å; F73-V98 HydrophobicContact CZ-CG1 4.12Å; F73-D102 HydrophobicContact CE1-CB 3.93Å; F73-D102 HydrophobicContact CZ-CB 4.01Å; F73-L106 HydrophobicContact CD2-CD1 3.88Å; F73-L106 HydrophobicContact CD2-CD2 3.51Å; F73-L106 HydrophobicContact CD2-CG 4.31Å; F73-L106 HydrophobicContact CE1-CD1 4.37Å; F73-L106 HydrophobicContact CE2-CD1 3.48Å; F73-L106 VanDerWaalsContact CE2-CD1 3.48Å; F73-L106 HydrophobicContact CE2-CD2 3.83Å; F73-L106 HydrophobicContact CE2-CG 4.31Å; F73-L106 HydrophobicContact CG-CD1 4.47Å; F73-L106 HydrophobicContact CG-CD2 4.29Å; F73-L106 HydrophobicContact CZ-CD1 3.76Å; F73-L288 HydrophobicContact CD2-CD2 3.47Å; F73-L288 VanDerWaalsContact CD2-CD2 3.47Å; F73-L288 HydrophobicContact CE2-CB 3.74Å; F73-L288 HydrophobicContact CE2-CD2 3.36Å; F73-L288 HydrophobicContact CE2-CG 4.11Å; F73-L288 HydrophobicContact CG-CD2 4.27Å; F73-L288 HydrophobicContact CZ-CB 3.88Å; F73-L288 HydrophobicContact CZ-CD2 4.07Å; F73-L288 HydrophobicContact CZ-CG 4.46Å |
| 74 | S | 90.9 | Very high | 91 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -34.1 | 178.7 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | K70 F78 L99 | K70-S74 PolarHBondContact O-N 3.4Å; K70-S74 VanDerWaalsContact O-N 3.09Å; S74-F78 WeakPolarHBondContact O-CB 3.47Å; S74-F78 PolarHBondContact O-N 3.04Å; S74-L99 WeakPolarHBondContact O-CD2 3.35Å; S74-L99 PolarHBondContact OG-O 2.92Å |
| 75 | S | 91.5 | Very high | 90.5 | Very high | 19 Ų | 19 | 34.1 Ų | 34.1 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.2 | -44.8 | 177.7 | -58 | 0 | 0 | 0 | 0 | 113 | G71 A72 F73 F78 Q79 N863 | G71-S75 WeakPolarHBondContact O-CB 3.1Å; G71-S75 PolarHBondContact O-N 3.15Å; G71-S75 VanDerWaalsContact O-N 3.11Å; G71-S75 PolarHBondContact O-OG 3.26Å; A72-S75 PolarHBondContact O-N 3.42Å; F73-S75 VanDerWaalsContact C-N 3.32Å; F73-S75 PolarHBondContact O-N 3.35Å; S75-F78 PolarHBondContact O-N 3.42Å; S75-Q79 WeakPolarHBondContact O-CG 3.11Å; S75-Q79 PolarHBondContact O-N 2.96Å; S75-N863 PolarHBondContact OG-ND2 2.9Å |
| 76 | I | 93.2 | Very high | 89.6 | Confident | 87 Ų | 87 | 32.4 Ų | 32.4 | 45% | 0.446 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65 | -43.4 | 176.6 | -69.9 | 166.5 | 0 | 0 | 0 | 110.2 | A72 F73 F78 Q79 K80 L292 | A72-I76 WeakPolarHBondContact O-CB 3.13Å; A72-I76 WeakPolarHBondContact O-CG1 3.3Å; A72-I76 PolarHBondContact O-N 2.92Å; F73-I76 PolarHBondContact O-N 3.38Å; I76-F78 VanDerWaalsContact C-N 3.34Å; I76-F78 PolarHBondContact O-N 3.04Å; I76-Q79 PolarHBondContact O-N 2.92Å; I76-K80 PolarHBondContact O-N 2.83Å; I76-L292 HydrophobicContact CG2-CD2 4.07Å |
| 77 | A | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F73 K80 V81 V98 L99 L288 | F73-A77 VanDerWaalsContact O-CB 3.26Å; F73-A77 WeakPolarHBondContact O-CB 3.48Å; F73-A77 PolarHBondContact O-N 3.31Å; A77-K80 PolarHBondContact O-N 2.82Å; A77-V81 WeakPolarHBondContact O-CB 3.49Å; A77-V81 VanDerWaalsContact O-CG2 3.31Å; A77-V81 WeakPolarHBondContact O-CG2 3.46Å; A77-V81 PolarHBondContact O-N 3.06Å; A77-V98 HydrophobicContact CB-CG1 4.32Å; A77-L99 HydrophobicContact CB-CD2 3.57Å; A77-L99 HydrophobicContact CB-CG 4.37Å; A77-L288 HydrophobicContact CB-CD1 3.79Å |
| 78 | F | 92.8 | Very high | 87 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -43.8 | -179.4 | -171.5 | -92.2 | 0 | 0 | 0 | 111.5 | S74 S75 I76 K80 V81 I82 L99 T839 I856 F859 | S74-F78 WeakPolarHBondContact O-CB 3.47Å; S74-F78 PolarHBondContact O-N 3.04Å; S75-F78 PolarHBondContact O-N 3.42Å; I76-F78 VanDerWaalsContact C-N 3.34Å; I76-F78 PolarHBondContact O-N 3.04Å; F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 2.77Å; F78-V81 PolarHBondContact O-N 3.19Å; F78-I82 HydrophobicContact CE1-CB 4.45Å; F78-I82 HydrophobicContact CE1-CD1 4.03Å; F78-I82 HydrophobicContact CE1-CG2 4.47Å; F78-I82 HydrophobicContact CZ-CD1 4.26Å; F78-I82 WeakPolarHBondContact O-CG2 3.44Å; F78-I82 PolarHBondContact O-N 3.09Å; F78-L99 HydrophobicContact CB-CD2 3.82Å; F78-L99 HydrophobicContact CD2-CD1 4.46Å; F78-L99 HydrophobicContact CD2-CD2 4.42Å; F78-T839 HydrophobicContact CE2-CG2 4.16Å; F78-T839 HydrophobicContact CZ-CG2 3.89Å; F78-I856 HydrophobicContact CD1-CG1 4.36Å; F78-I856 HydrophobicContact CE1-CG1 4.27Å; F78-F859 HydrophobicContact CB-CD1 3.72Å; F78-F859 HydrophobicContact CB-CD2 4.46Å; F78-F859 HydrophobicContact CB-CE1 3.62Å; F78-F859 HydrophobicContact CB-CE2 4.36Å; F78-F859 HydrophobicContact CB-CG 4.16Å; F78-F859 HydrophobicContact CB-CZ 3.96Å; F78-F859 HydrophobicContact CD1-CB 3.77Å; F78-F859 AromaticContact CD1-CD1 3.92Å; F78-F859 HydrophobicContact CD1-CD1 3.92Å; F78-F859 HydrophobicContact CD1-CD2 4.3Å; F78-F859 AromaticContact CD1-CG 3.72Å; F78-F859 HydrophobicContact CD1-CG 3.72Å; F78-F859 HydrophobicContact CD2-CB 4.37Å; F78-F859 HydrophobicContact CD2-CD1 4.17Å; F78-F859 AromaticContact CD2-CD2 3.43Å; F78-F859 HydrophobicContact CD2-CD2 3.43Å; F78-F859 VanDerWaalsContact CD2-CD2 3.43Å; F78-F859 HydrophobicContact CD2-CE1 4.36Å; F78-F859 AromaticContact CD2-CE2 3.64Å; F78-F859 HydrophobicContact CD2-CE2 3.64Å; F78-F859 AromaticContact CD2-CG 3.71Å; F78-F859 HydrophobicContact CD2-CG 3.71Å; F78-F859 HydrophobicContact CD2-CZ 4.11Å; F78-F859 HydrophobicContact CE1-CB 3.62Å; F78-F859 HydrophobicContact CE1-CD2 4.44Å; F78-F859 AromaticContact CE1-CG 3.99Å; F78-F859 HydrophobicContact CE1-CG 3.99Å; F78-F859 HydrophobicContact CE2-CB 4.24Å; F78-F859 AromaticContact CE2-CD2 3.61Å; F78-F859 HydrophobicContact CE2-CD2 3.61Å; F78-F859 HydrophobicContact CE2-CE2 4.18Å; F78-F859 AromaticContact CE2-CG 3.98Å; F78-F859 HydrophobicContact CE2-CG 3.98Å; F78-F859 HydrophobicContact CG-CB 4.15Å; F78-F859 AromaticContact CG-CD1 3.66Å; F78-F859 HydrophobicContact CG-CD1 3.66Å; F78-F859 AromaticContact CG-CD2 3.81Å; F78-F859 HydrophobicContact CG-CD2 3.81Å; F78-F859 AromaticContact CG-CE1 3.98Å; F78-F859 HydrophobicContact CG-CE1 3.98Å; F78-F859 HydrophobicContact CG-CE2 4.1Å; F78-F859 AromaticContact CG-CG 3.57Å; F78-F859 HydrophobicContact CG-CG 3.57Å; F78-F859 HydrophobicContact CG-CZ 4.18Å; F78-F859 HydrophobicContact CZ-CB 3.87Å; F78-F859 HydrophobicContact CZ-CD2 4.12Å; F78-F859 HydrophobicContact CZ-CG 4.11Å |
| 79 | Q | 92.7 | Very high | 85.8 | Confident | 81 Ų | 81 | 33.9 Ų | 33.9 | 38% | 0.379 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.5 | -36.7 | 176 | -72.9 | -175.3 | -97.8 | 0 | 0 | 112.5 | S75 I76 S83 I856 | S75-Q79 WeakPolarHBondContact O-CG 3.11Å; S75-Q79 PolarHBondContact O-N 2.96Å; I76-Q79 PolarHBondContact O-N 2.92Å; Q79-S83 PolarHBondContact O-N 2.95Å; Q79-I856 HydrophobicContact CG-CD1 4.34Å; Q79-I856 HydrophobicContact CG-CG1 4.35Å; Q79-I856 HydrophobicContact CG-CG2 3.88Å |
| 80 | K | 91.1 | Very high | 85.1 | Confident | 39 Ų | 39 | 30.8 Ų | 30.8 | 17% | 0.17 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.2 | -49.2 | 172.4 | 178.1 | 61.9 | 176.4 | 169 | 0 | 111.7 | I76 A77 F78 I82 S83 L84 I291 L292 V294 | I76-K80 PolarHBondContact O-N 2.83Å; A77-K80 PolarHBondContact O-N 2.82Å; F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 2.77Å; K80-I82 PolarHBondContact O-N 3.41Å; K80-S83 WeakPolarHBondContact O-CA 3.48Å; K80-S83 WeakPolarHBondContact O-CB 3.21Å; K80-S83 PolarHBondContact O-N 2.83Å; K80-S83 PolarHBondContact O-OG 2.97Å; K80-L84 HydrophobicContact CD-CD2 4.43Å; K80-L84 PolarHBondContact O-N 3.33Å; K80-I291 WeakPolarHBondContact CE-O 3.44Å; K80-I291 HydrophobicContact CG-CG2 4Å; K80-L292 HydrophobicContact CB-CD2 3.92Å; K80-L292 WeakPolarHBondContact CE-O 3.16Å; K80-L292 HydrophobicContact CG-CD2 4.04Å; K80-V294 WeakPolarHBondContact CE-O 3.35Å; K80-V294 PolarHBondContact NZ-O 3.44Å |
| 81 | V | 90.2 | Very high | 84.6 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -46.6 | -177.1 | 163.2 | 0 | 0 | 0 | 0 | 111.4 | A77 F78 S83 L84 M95 L99 I291 L840 | A77-V81 WeakPolarHBondContact O-CB 3.49Å; A77-V81 VanDerWaalsContact O-CG2 3.31Å; A77-V81 WeakPolarHBondContact O-CG2 3.46Å; A77-V81 PolarHBondContact O-N 3.06Å; F78-V81 PolarHBondContact O-N 3.19Å; V81-S83 PolarHBondContact O-N 3.21Å; V81-L84 WeakPolarHBondContact O-CB 3.43Å; V81-L84 PolarHBondContact O-N 3.34Å; V81-L84 VanDerWaalsContact O-N 3.08Å; V81-M95 HydrophobicContact CG1-SD 4.46Å; V81-M95 HydrophobicContact CG2-SD 4.34Å; V81-L99 HydrophobicContact CB-CD1 4.49Å; V81-L99 HydrophobicContact CG1-CD1 4.38Å; V81-L99 HydrophobicContact CG2-CD1 4.29Å; V81-I291 HydrophobicContact CG2-CG2 4.02Å; V81-L840 HydrophobicContact CG1-CD2 3.41Å; V81-L840 VanDerWaalsContact CG1-CD2 3.41Å; V81-L840 HydrophobicContact CG1-CG 4.01Å |
| 82 | I | 90.4 | Very high | 84 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.6 | -14.5 | 177.8 | -157.3 | 173.8 | 0 | 0 | 0 | 113.5 | F78 K80 T839 L843 I846 H847 R852 H855 I856 | F78-I82 HydrophobicContact CE1-CB 4.45Å; F78-I82 HydrophobicContact CE1-CD1 4.03Å; F78-I82 HydrophobicContact CE1-CG2 4.47Å; F78-I82 HydrophobicContact CZ-CD1 4.26Å; F78-I82 WeakPolarHBondContact O-CG2 3.44Å; F78-I82 PolarHBondContact O-N 3.09Å; K80-I82 PolarHBondContact O-N 3.41Å; I82-T839 HydrophobicContact CB-CG2 4.34Å; I82-T839 HydrophobicContact CD1-CG2 3.76Å; I82-T839 HydrophobicContact CG1-CG2 3.8Å; I82-L843 HydrophobicContact CG1-CD2 4.25Å; I82-I846 HydrophobicContact CD1-CG2 4.2Å; I82-I846 HydrophobicContact CG1-CG2 4.23Å; I82-H847 PolarHBondContact O-NE2 3.39Å; I82-R852 HydrophobicContact CD1-CB 4.38Å; I82-R852 HydrophobicContact CG1-CG 4.33Å; I82-H855 HydrophobicContact CD1-CB 3.5Å; I82-H855 VanDerWaalsContact CD1-CB 3.5Å; I82-I856 HydrophobicContact CD1-CG1 4.43Å; I82-I856 HydrophobicContact CG2-CD1 3.76Å; I82-I856 HydrophobicContact CG2-CG1 3.73Å |
| 83 | S | 88.3 | Confident | 83.4 | Confident | 36 Ų | 36 | 34.6 Ų | 34.6 | 25% | 0.252 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -85.8 | -12.5 | 170.6 | 80.9 | 0 | 0 | 0 | 0 | 114.1 | Q79 K80 V81 N296 | Q79-S83 PolarHBondContact O-N 2.95Å; K80-S83 WeakPolarHBondContact O-CA 3.48Å; K80-S83 WeakPolarHBondContact O-CB 3.21Å; K80-S83 PolarHBondContact O-N 2.83Å; K80-S83 PolarHBondContact O-OG 2.97Å; V81-S83 PolarHBondContact O-N 3.21Å; S83-N296 PolarHBondContact O-ND2 2.79Å; S83-N296 PolarHBondContact O-OD1 2.83Å |
| 84 | L | 86.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -72.9 | 130.3 | 179.1 | -65.2 | -178.8 | 0 | 0 | 0 | 110.3 | K80 V81 M95 V294 N296 H847 | K80-L84 HydrophobicContact CD-CD2 4.43Å; K80-L84 PolarHBondContact O-N 3.33Å; V81-L84 WeakPolarHBondContact O-CB 3.43Å; V81-L84 PolarHBondContact O-N 3.34Å; V81-L84 VanDerWaalsContact O-N 3.08Å; L84-M95 HydrophobicContact CD1-CE 3.9Å; L84-M95 HydrophobicContact CD1-SD 4.41Å; L84-V294 HydrophobicContact CD2-CB 3.94Å; L84-V294 HydrophobicContact CD2-CG1 3.69Å; L84-N296 WeakPolarHBondContact CA-OD1 3.48Å; L84-N296 WeakPolarHBondContact CD2-OD1 3.16Å; L84-H847 PolarHBondContact O-CE1 2.96Å | ||
| 85 | R | 79.6 | Confident | 82.6 | Confident | 54 Ų | 54 | 35.7 Ų | 35.7 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -86.4 | -22.1 | 170 | -62.9 | -166 | -173.3 | -126.9 | 15.9 | 113.2 | L361 E362 Q363 | R85-L361 PolarHBondContact NH1-O 3.31Å; R85-E362 WeakPolarHBondContact CD-O 3.4Å; R85-E362 IonicContact CZ-OE2 2.78Å; R85-E362 IonicContact NH1-OE2 2.68Å; R85-E362 PolarHBondContact NH1-OE2 3.26Å; R85-E362 IonicContact NH2-OE2 3.94Å; R85-E362 PolarHBondContact NH2-OE2 3.43Å; R85-Q363 PolarHBondContact O-NE2 3.31Å |
| 86 | V | 71.6 | Confident | 82.3 | Confident | 20 Ų | 20 | 36.3 Ų | 36.3 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | trans | -139.7 | 140.2 | -169.3 | -163.2 | 0 | 0 | 0 | 0 | 110.6 | S88 P297 Q363 | V86-S88 VanDerWaalsContact C-N 3.31Å; V86-S88 PolarHBondContact O-N 3.3Å; V86-P297 HydrophobicContact CG2-CG 3.65Å; V86-Q363 WeakPolarHBondContact CG2-O 3.31Å | ||
| 87 | H | 65.1 | Low | 81.9 | Confident | 80 Ų | 80 | 35.8 Ų | 35.8 | 37% | 0.37 | 22% | 0.216 | S | C | . | . | trans | -90.1 | 49.1 | 176 | -65.3 | -59.1 | 0 | 0 | 0 | 112.9 | G89 M95 L843 | H87-G89 PolarHBondContact O-N 2.89Å; H87-G89 VanDerWaalsContact O-N 3.12Å; H87-M95 HydrophobicContact CB-CE 4.46Å; H87-M95 WeakPolarHBondContact ND1-CE 3.33Å; H87-L843 VanDerWaalsContact CE1-CD1 3.41Å; H87-L843 WeakPolarHBondContact CE1-CD1 3.32Å | ||
| 88 | S | 61.8 | Low | 81.6 | Confident | 50 Ų | 50 | 35.8 Ų | 35.8 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 112.1 | -176 | 47 | 0 | 0 | 0 | 0 | 112.6 | V86 I90 | V86-S88 VanDerWaalsContact C-N 3.31Å; V86-S88 PolarHBondContact O-N 3.3Å; S88-I90 VanDerWaalsContact C-N 3.32Å; S88-I90 PolarHBondContact O-N 3.27Å |
| 89 | G | 66.1 | Low | 81.2 | Confident | 70 Ų | 70 | 36 Ų | 36 | 72% | 0.722 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 15.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | H87 K290 | H87-G89 PolarHBondContact O-N 2.89Å; H87-G89 VanDerWaalsContact O-N 3.12Å; G89-K290 WeakPolarHBondContact O-CE 3.44Å; G89-K290 PolarHBondContact O-NZ 3.33Å |
| 90 | I | 78 | Confident | 80.7 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | trans | -137.3 | 120.1 | 180 | -54 | -170.6 | 0 | 0 | 0 | 109.1 | S88 E94 M95 K290 I291 V294 | S88-I90 VanDerWaalsContact C-N 3.32Å; S88-I90 PolarHBondContact O-N 3.27Å; I90-E94 HydrophobicContact CG2-CB 3.99Å; I90-E94 HydrophobicContact CG2-CG 4.12Å; I90-M95 HydrophobicContact CB-CE 3.62Å; I90-M95 HydrophobicContact CG2-CE 3.63Å; I90-M95 HydrophobicContact CG2-CG 3.59Å; I90-M95 HydrophobicContact CG2-SD 4.49Å; I90-K290 HydrophobicContact CD1-CD 4.06Å; I90-K290 HydrophobicContact CD1-CG 3.99Å; I90-K290 HydrophobicContact CG1-CD 4.16Å; I90-I291 HydrophobicContact CD1-CB 4.36Å; I90-I291 HydrophobicContact CD1-CG1 3.6Å; I90-I291 HydrophobicContact CG2-CG1 4.41Å; I90-V294 HydrophobicContact CD1-CG2 3.57Å; I90-V294 HydrophobicContact CG1-CG2 4.43Å | ||
| 91 | S | 79.6 | Confident | 80.2 | Confident | 76 Ų | 76 | 32.9 Ų | 32.9 | 53% | 0.531 | 21% | 0.207 | S | C | . | . | trans | -71.5 | 150.2 | 178.7 | 69.7 | 0 | 0 | 0 | 0 | 111.8 | G93 E94 M95 | S91-G93 PolarHBondContact O-N 3Å; S91-E94 WeakPolarHBondContact O-CA 3.44Å; S91-E94 WeakPolarHBondContact O-CB 3.49Å; S91-E94 PolarHBondContact O-N 3.21Å; S91-E94 PolarHBondContact OG-N 2.82Å; S91-M95 PolarHBondContact O-N 3.26Å; S91-M95 VanDerWaalsContact O-N 3.11Å | ||
| 92 | M | 77.9 | Confident | 80.1 | Confident | 50 Ų | 50 | 32.8 Ų | 32.8 | 25% | 0.246 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.3 | -39.8 | 175.1 | -168 | -155.9 | -176.6 | 0 | 0 | 111.4 | E94 M95 I96 T837 L840 Q841 | M92-E94 PolarHBondContact O-N 3.29Å; M92-M95 PolarHBondContact O-N 3.39Å; M92-I96 HydrophobicContact CE-CD1 4.03Å; M92-I96 HydrophobicContact CG-CD1 4.12Å; M92-I96 WeakPolarHBondContact O-CG1 3.43Å; M92-I96 PolarHBondContact O-N 3.38Å; M92-I96 HydrophobicContact SD-CD1 4.17Å; M92-T837 HydrophobicContact CE-CG2 3.82Å; M92-T837 WeakPolarHBondContact CE-O 3.27Å; M92-L840 HydrophobicContact CE-CB 3.49Å; M92-L840 VanDerWaalsContact CE-CB 3.49Å; M92-L840 HydrophobicContact CE-CD1 4.45Å; M92-L840 HydrophobicContact CG-CB 4.1Å; M92-L840 HydrophobicContact CG-CD1 4.19Å; M92-Q841 HydrophobicContact CE-CB 4.34Å; M92-Q841 HydrophobicContact CE-CG 3.64Å; M92-Q841 HydrophobicContact SD-CG 4.31Å |
| 93 | G | 78.2 | Confident | 80 | Confident | 35 Ų | 35 | 32.8 Ų | 32.8 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.2 | -33.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S91 N97 | S91-G93 PolarHBondContact O-N 3Å; G93-N97 WeakPolarHBondContact O-CB 3.37Å; G93-N97 PolarHBondContact O-N 2.87Å; G93-N97 VanDerWaalsContact O-N 3.09Å; G93-N97 PolarHBondContact O-ND2 3.41Å |
| 94 | E | 82.4 | Confident | 79.9 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 18% | 0.178 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -42.8 | 171.2 | -174.8 | 171.3 | -150.1 | 0 | 0 | 110.5 | I90 S91 M92 N97 V98 R287 K290 | I90-E94 HydrophobicContact CG2-CB 3.99Å; I90-E94 HydrophobicContact CG2-CG 4.12Å; S91-E94 WeakPolarHBondContact O-CA 3.44Å; S91-E94 WeakPolarHBondContact O-CB 3.49Å; S91-E94 PolarHBondContact O-N 3.21Å; S91-E94 PolarHBondContact OG-N 2.82Å; M92-E94 PolarHBondContact O-N 3.29Å; E94-N97 PolarHBondContact O-N 3.43Å; E94-V98 WeakPolarHBondContact O-CG2 3.47Å; E94-V98 PolarHBondContact O-N 3.17Å; E94-R287 WeakPolarHBondContact OE1-CD 3.39Å; E94-K290 IonicContact OE1-NZ 3.36Å; E94-K290 IonicContact OE2-NZ 2.79Å; E94-K290 PolarHBondContact OE2-NZ 2.86Å |
| 95 | M | 85.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 177.9 | -59.7 | -165.4 | -175.9 | 0 | 0 | 112.9 | V81 L84 H87 I90 S91 M92 N97 V98 L99 I291 L840 | V81-M95 HydrophobicContact CG1-SD 4.46Å; V81-M95 HydrophobicContact CG2-SD 4.34Å; L84-M95 HydrophobicContact CD1-CE 3.9Å; L84-M95 HydrophobicContact CD1-SD 4.41Å; H87-M95 HydrophobicContact CB-CE 4.46Å; H87-M95 WeakPolarHBondContact ND1-CE 3.33Å; I90-M95 HydrophobicContact CB-CE 3.62Å; I90-M95 HydrophobicContact CG2-CE 3.63Å; I90-M95 HydrophobicContact CG2-CG 3.59Å; I90-M95 HydrophobicContact CG2-SD 4.49Å; S91-M95 PolarHBondContact O-N 3.26Å; S91-M95 VanDerWaalsContact O-N 3.11Å; M92-M95 PolarHBondContact O-N 3.39Å; M95-N97 VanDerWaalsContact C-N 3.31Å; M95-N97 PolarHBondContact O-N 3.46Å; M95-V98 PolarHBondContact O-N 2.88Å; M95-L99 PolarHBondContact O-N 3.15Å; M95-L99 VanDerWaalsContact O-N 3.11Å; M95-I291 HydrophobicContact CG-CD1 4.43Å; M95-L840 HydrophobicContact CB-CD1 3.93Å; M95-L840 HydrophobicContact CB-CD2 4.03Å; M95-L840 HydrophobicContact CG-CD2 4.44Å; M95-L840 HydrophobicContact SD-CD2 3.6Å; M95-L840 VanDerWaalsContact SD-CD2 3.6Å |
| 96 | I | 84.8 | Confident | 80.6 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 16% | 0.164 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 175.2 | -63.7 | 164.9 | 0 | 0 | 0 | 110.1 | M92 V98 L99 T100 T836 T837 L840 | M92-I96 HydrophobicContact CE-CD1 4.03Å; M92-I96 HydrophobicContact CG-CD1 4.12Å; M92-I96 WeakPolarHBondContact O-CG1 3.43Å; M92-I96 PolarHBondContact O-N 3.38Å; M92-I96 HydrophobicContact SD-CD1 4.17Å; I96-V98 PolarHBondContact O-N 3.25Å; I96-L99 PolarHBondContact O-N 2.98Å; I96-T100 HydrophobicContact CG2-CG2 4.06Å; I96-T100 WeakPolarHBondContact O-CB 3.08Å; I96-T100 VanDerWaalsContact O-CG2 3.3Å; I96-T100 WeakPolarHBondContact O-CG2 3.2Å; I96-T100 PolarHBondContact O-N 2.73Å; I96-T100 PolarHBondContact O-OG1 3.03Å; I96-T836 HydrophobicContact CG1-CG2 4.31Å; I96-T837 HydrophobicContact CD1-CG2 4.14Å; I96-L840 HydrophobicContact CD1-CD1 4.48Å; I96-L840 HydrophobicContact CG1-CD1 3.54Å |
| 97 | N | 84.5 | Confident | 81.5 | Confident | 76 Ų | 76 | 35.8 Ų | 35.8 | 41% | 0.406 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 179.3 | -86.7 | -61.9 | 0 | 0 | 0 | 112.6 | G93 E94 M95 L99 T100 S101 D102 | G93-N97 WeakPolarHBondContact O-CB 3.37Å; G93-N97 PolarHBondContact O-N 2.87Å; G93-N97 VanDerWaalsContact O-N 3.09Å; G93-N97 PolarHBondContact O-ND2 3.41Å; E94-N97 PolarHBondContact O-N 3.43Å; M95-N97 VanDerWaalsContact C-N 3.31Å; M95-N97 PolarHBondContact O-N 3.46Å; N97-L99 VanDerWaalsContact C-N 3.34Å; N97-L99 PolarHBondContact O-N 2.92Å; N97-T100 PolarHBondContact O-N 2.86Å; N97-S101 WeakPolarHBondContact O-CA 3.29Å; N97-S101 PolarHBondContact O-N 3.13Å; N97-S101 PolarHBondContact O-OG 2.79Å; N97-S101 PolarHBondContact OD1-OG 2.97Å; N97-D102 PolarHBondContact O-N 3.27Å |
| 98 | V | 86.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -60.1 | -46.9 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | F73 A77 E94 M95 I96 T100 R287 L288 I291 | F73-V98 HydrophobicContact CE1-CG1 4Å; F73-V98 WeakPolarHBondContact CE1-O 3.42Å; F73-V98 HydrophobicContact CZ-CG1 4.12Å; A77-V98 HydrophobicContact CB-CG1 4.32Å; E94-V98 WeakPolarHBondContact O-CG2 3.47Å; E94-V98 PolarHBondContact O-N 3.17Å; M95-V98 PolarHBondContact O-N 2.88Å; I96-V98 PolarHBondContact O-N 3.25Å; V98-T100 PolarHBondContact O-N 3.4Å; V98-R287 HydrophobicContact CG2-CB 3.81Å; V98-L288 HydrophobicContact CG1-CD1 4.4Å; V98-I291 HydrophobicContact CB-CD1 3.93Å; V98-I291 HydrophobicContact CG1-CD1 4.06Å; V98-I291 HydrophobicContact CG2-CD1 3.79Å |
| 99 | L | 85.1 | Confident | 84.1 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -67.3 | -35.9 | -177.8 | -74.3 | 165.2 | 0 | 0 | 0 | 113.9 | S74 A77 F78 V81 M95 I96 N97 T836 | S74-L99 WeakPolarHBondContact O-CD2 3.35Å; S74-L99 PolarHBondContact OG-O 2.92Å; A77-L99 HydrophobicContact CB-CD2 3.57Å; A77-L99 HydrophobicContact CB-CG 4.37Å; F78-L99 HydrophobicContact CB-CD2 3.82Å; F78-L99 HydrophobicContact CD2-CD1 4.46Å; F78-L99 HydrophobicContact CD2-CD2 4.42Å; V81-L99 HydrophobicContact CB-CD1 4.49Å; V81-L99 HydrophobicContact CG1-CD1 4.38Å; V81-L99 HydrophobicContact CG2-CD1 4.29Å; M95-L99 PolarHBondContact O-N 3.15Å; M95-L99 VanDerWaalsContact O-N 3.11Å; I96-L99 PolarHBondContact O-N 2.98Å; N97-L99 VanDerWaalsContact C-N 3.34Å; N97-L99 PolarHBondContact O-N 2.92Å; L99-T836 HydrophobicContact CB-CG2 3.96Å; L99-T836 HydrophobicContact CD1-CG2 3.42Å; L99-T836 VanDerWaalsContact CD1-CG2 3.42Å; L99-T836 HydrophobicContact CG-CG2 4.3Å |
| 100 | T | 81.5 | Confident | 85.2 | Confident | 28 Ų | 28 | 30.9 Ų | 30.9 | 17% | 0.172 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -112.9 | -18.4 | -164.5 | 66.9 | 0 | 0 | 0 | 0 | 115.5 | I96 N97 V98 R829 I833 T836 | I96-T100 HydrophobicContact CG2-CG2 4.06Å; I96-T100 WeakPolarHBondContact O-CB 3.08Å; I96-T100 VanDerWaalsContact O-CG2 3.3Å; I96-T100 WeakPolarHBondContact O-CG2 3.2Å; I96-T100 PolarHBondContact O-N 2.73Å; I96-T100 PolarHBondContact O-OG1 3.03Å; N97-T100 PolarHBondContact O-N 2.86Å; V98-T100 PolarHBondContact O-N 3.4Å; T100-R829 PolarHBondContact O-NH2 3.21Å; T100-I833 HydrophobicContact CG2-CB 4.31Å; T100-I833 HydrophobicContact CG2-CG1 3.8Å; T100-I833 HydrophobicContact CG2-CG2 4.34Å; T100-T836 HydrophobicContact CG2-CG2 4.4Å |
| 101 | S | 81.4 | Confident | 85.7 | Confident | 25 Ų | 25 | 31.1 Ų | 31.1 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -126.7 | -38.6 | -177.5 | 76.5 | 0 | 0 | 0 | 0 | 114.1 | N97 G103 H104 R105 | N97-S101 WeakPolarHBondContact O-CA 3.29Å; N97-S101 PolarHBondContact O-N 3.13Å; N97-S101 PolarHBondContact O-OG 2.79Å; N97-S101 PolarHBondContact OD1-OG 2.97Å; S101-G103 VanDerWaalsContact C-N 3.34Å; S101-G103 PolarHBondContact O-N 3.12Å; S101-H104 VanDerWaalsContact O-CB 3.32Å; S101-H104 WeakPolarHBondContact O-CB 3.29Å; S101-H104 PolarHBondContact O-N 3.16Å; S101-R105 PolarHBondContact O-N 3.43Å |
| 102 | D | 87.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -67.9 | -31.4 | -178.8 | -81 | 3 | 0 | 0 | 0 | 113.3 | F73 N97 H104 R105 L106 S284 R287 | F73-D102 HydrophobicContact CE1-CB 3.93Å; F73-D102 HydrophobicContact CZ-CB 4.01Å; N97-D102 PolarHBondContact O-N 3.27Å; D102-H104 PolarHBondContact O-N 2.87Å; D102-H104 VanDerWaalsContact O-N 3.16Å; D102-R105 WeakPolarHBondContact O-CB 3.43Å; D102-R105 PolarHBondContact O-N 3.06Å; D102-R105 WeakPolarHBondContact OD1-CD 3.16Å; D102-R105 IonicContact OD1-CZ 2.68Å; D102-R105 IonicContact OD1-NE 3.74Å; D102-R105 IonicContact OD1-NH1 3.85Å; D102-R105 PolarHBondContact OD1-NH1 3.42Å; D102-L106 VanDerWaalsContact O-CD1 3.27Å; D102-L106 WeakPolarHBondContact O-CD1 3.49Å; D102-L106 PolarHBondContact O-N 3.05Å; D102-S284 PolarHBondContact OD1-OG 2.97Å; D102-S284 WeakPolarHBondContact OD2-CA 3.29Å; D102-R287 IonicContact OD1-CZ 2.6Å; D102-R287 IonicContact OD1-NH2 3.07Å; D102-R287 PolarHBondContact OD1-NH2 2.83Å; D102-R287 IonicContact OD2-CZ 3.25Å; D102-R287 VanDerWaalsContact OD2-CZ 3.28Å; D102-R287 IonicContact OD2-NE 2.71Å; D102-R287 PolarHBondContact OD2-NE 2.88Å; D102-R287 IonicContact OD2-NH2 3.84Å; D102-R287 PolarHBondContact OD2-NH2 3.31Å |
| 103 | G | 87.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.2 | -25.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K70 S101 F107 | K70-G103 WeakPolarHBondContact CG-O 3.43Å; S101-G103 VanDerWaalsContact C-N 3.34Å; S101-G103 PolarHBondContact O-N 3.12Å; G103-F107 PolarHBondContact O-N 3.4Å |
| 104 | H | 87.7 | Confident | 86.6 | Confident | 76 Ų | 76 | 27.5 Ų | 27.5 | 35% | 0.352 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -79 | -32.9 | 172.3 | -173.3 | 25.9 | 0 | 0 | 0 | 112.4 | S101 D102 F107 E108 Y870 | S101-H104 VanDerWaalsContact O-CB 3.32Å; S101-H104 WeakPolarHBondContact O-CB 3.29Å; S101-H104 PolarHBondContact O-N 3.16Å; D102-H104 PolarHBondContact O-N 2.87Å; D102-H104 VanDerWaalsContact O-N 3.16Å; H104-F107 AromaticContact ND1-CD1 3.86Å; H104-F107 VanDerWaalsContact O-CB 3.32Å; H104-F107 WeakPolarHBondContact O-CB 3.16Å; H104-F107 PolarHBondContact O-N 2.88Å; H104-E108 PolarHBondContact O-N 2.68Å; H104-Y870 PolarHBondContact CE1-OH 3.37Å |
| 105 | R | 89.7 | Confident | 86.7 | Confident | 82 Ų | 82 | 26 Ų | 26 | 31% | 0.309 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 174.9 | -62 | 174.4 | 176.9 | -168.4 | -6.3 | 111.5 | S101 D102 F107 E108 A109 E280 S284 R287 | S101-R105 PolarHBondContact O-N 3.43Å; D102-R105 WeakPolarHBondContact O-CB 3.43Å; D102-R105 PolarHBondContact O-N 3.06Å; D102-R105 WeakPolarHBondContact OD1-CD 3.16Å; D102-R105 IonicContact OD1-CZ 2.68Å; D102-R105 IonicContact OD1-NE 3.74Å; D102-R105 IonicContact OD1-NH1 3.85Å; D102-R105 PolarHBondContact OD1-NH1 3.42Å; R105-F107 VanDerWaalsContact C-N 3.31Å; R105-F107 PolarHBondContact O-N 3Å; R105-E108 PolarHBondContact O-N 3.18Å; R105-A109 PolarHBondContact O-N 2.86Å; R105-E280 HydrophobicContact CB-CB 4.49Å; R105-S284 VanDerWaalsContact CD-OG 3.25Å; R105-S284 WeakPolarHBondContact CD-OG 3.49Å; R105-R287 VanDerWaalsContact NH1-NH2 3.15Å |
| 106 | L | 90.4 | Very high | 86.5 | Confident | 14 Ų | 14 | 27.4 Ų | 27.4 | 7% | 0.073 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -36.2 | 170.6 | -81.8 | 88.5 | 0 | 0 | 0 | 112.2 | L69 F73 D102 A109 V110 A281 | L69-L106 HydrophobicContact CD2-CB 4.34Å; L69-L106 HydrophobicContact CD2-CD2 4.11Å; L69-L106 HydrophobicContact CG-CD2 4.31Å; F73-L106 HydrophobicContact CD2-CD1 3.88Å; F73-L106 HydrophobicContact CD2-CD2 3.51Å; F73-L106 HydrophobicContact CD2-CG 4.31Å; F73-L106 HydrophobicContact CE1-CD1 4.37Å; F73-L106 HydrophobicContact CE2-CD1 3.48Å; F73-L106 VanDerWaalsContact CE2-CD1 3.48Å; F73-L106 HydrophobicContact CE2-CD2 3.83Å; F73-L106 HydrophobicContact CE2-CG 4.31Å; F73-L106 HydrophobicContact CG-CD1 4.47Å; F73-L106 HydrophobicContact CG-CD2 4.29Å; F73-L106 HydrophobicContact CZ-CD1 3.76Å; D102-L106 VanDerWaalsContact O-CD1 3.27Å; D102-L106 WeakPolarHBondContact O-CD1 3.49Å; D102-L106 PolarHBondContact O-N 3.05Å; L106-A109 PolarHBondContact O-N 2.68Å; L106-V110 PolarHBondContact O-N 3.49Å; L106-V110 VanDerWaalsContact O-N 3.08Å; L106-A281 HydrophobicContact CG-CB 4.34Å |
| 107 | F | 91.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 173.2 | 173.3 | -86.4 | 0 | 0 | 0 | 111.5 | L63 A66 K70 G103 H104 R105 A109 V110 L111 Y870 | L63-F107 HydrophobicContact CD1-CE2 3.84Å; L63-F107 HydrophobicContact CD1-CZ 3.69Å; A66-F107 HydrophobicContact CB-CD2 3.3Å; A66-F107 HydrophobicContact CB-CE2 3.47Å; A66-F107 VanDerWaalsContact CB-CE2 3.47Å; A66-F107 HydrophobicContact CB-CG 4.01Å; A66-F107 HydrophobicContact CB-CZ 4.35Å; K70-F107 HydrophobicContact CB-CB 4.45Å; G103-F107 PolarHBondContact O-N 3.4Å; H104-F107 AromaticContact ND1-CD1 3.86Å; H104-F107 VanDerWaalsContact O-CB 3.32Å; H104-F107 WeakPolarHBondContact O-CB 3.16Å; H104-F107 PolarHBondContact O-N 2.88Å; R105-F107 VanDerWaalsContact C-N 3.31Å; R105-F107 PolarHBondContact O-N 3Å; F107-A109 VanDerWaalsContact C-N 3.32Å; F107-A109 PolarHBondContact O-N 2.83Å; F107-V110 PolarHBondContact O-N 2.89Å; F107-L111 HydrophobicContact CE1-CD2 3.8Å; F107-L111 HydrophobicContact CZ-CD1 4.44Å; F107-L111 HydrophobicContact CZ-CD2 4.3Å; F107-L111 VanDerWaalsContact O-CB 3.26Å; F107-L111 WeakPolarHBondContact O-CB 3.13Å; F107-L111 PolarHBondContact O-N 3.35Å; F107-Y870 HydrophobicContact CD1-CE1 4.28Å; F107-Y870 WeakPolarHBondContact CD1-OH 3.35Å; F107-Y870 AromaticContact CD2-CE1 3.93Å; F107-Y870 HydrophobicContact CD2-CE1 3.93Å; F107-Y870 AromaticContact CE1-CE1 3.91Å; F107-Y870 HydrophobicContact CE1-CE1 3.91Å; F107-Y870 WeakPolarHBondContact CE1-OH 3.42Å; F107-Y870 HydrophobicContact CE2-CD1 4.38Å; F107-Y870 AromaticContact CE2-CE1 3.58Å; F107-Y870 HydrophobicContact CE2-CE1 3.58Å; F107-Y870 HydrophobicContact CG-CE1 4.31Å; F107-Y870 AromaticContact CZ-CE1 3.57Å; F107-Y870 HydrophobicContact CZ-CE1 3.57Å |
| 108 | E | 89.5 | Confident | 86 | Confident | 53 Ų | 53 | 28.6 Ų | 28.6 | 25% | 0.248 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 176.2 | -67.6 | -156.2 | 130 | 0 | 0 | 112.4 | H104 R105 L111 F112 K276 A277 | H104-E108 PolarHBondContact O-N 2.68Å; R105-E108 PolarHBondContact O-N 3.18Å; E108-L111 WeakPolarHBondContact O-CB 3.29Å; E108-L111 PolarHBondContact O-N 3.37Å; E108-F112 HydrophobicContact CB-CD2 4.27Å; E108-F112 WeakPolarHBondContact O-CD2 3.37Å; E108-F112 PolarHBondContact O-N 3.32Å; E108-K276 IonicContact OE2-NZ 2.66Å; E108-A277 HydrophobicContact CB-CB 4.31Å |
| 109 | A | 90.9 | Very high | 85.8 | Confident | 11 Ų | 11 | 28.9 Ų | 28.9 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R105 L106 F107 L111 G113 L278 A281 | R105-A109 PolarHBondContact O-N 2.86Å; L106-A109 PolarHBondContact O-N 2.68Å; F107-A109 VanDerWaalsContact C-N 3.32Å; F107-A109 PolarHBondContact O-N 2.83Å; A109-L111 VanDerWaalsContact C-N 3.34Å; A109-G113 WeakPolarHBondContact O-CA 3.48Å; A109-G113 PolarHBondContact O-N 3.25Å; A109-L278 HydrophobicContact CB-CD2 4.46Å; A109-A281 HydrophobicContact CB-CB 3.34Å |
| 110 | V | 90.8 | Very high | 85.7 | Confident | 32 Ų | 32 | 31.5 Ų | 31.5 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.3 | -35 | 171.3 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | T65 A66 L69 L106 F107 | T65-V110 HydrophobicContact CG2-CG1 3.96Å; A66-V110 HydrophobicContact CB-CB 3.77Å; A66-V110 HydrophobicContact CB-CG1 3.76Å; L69-V110 HydrophobicContact CD2-CG2 3.43Å; L69-V110 VanDerWaalsContact CD2-CG2 3.43Å; L106-V110 PolarHBondContact O-N 3.49Å; L106-V110 VanDerWaalsContact O-N 3.08Å; F107-V110 PolarHBondContact O-N 2.89Å |
| 111 | L | 87.8 | Confident | 85.8 | Confident | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.9 | -46.1 | -177.2 | -169.5 | 69.3 | 0 | 0 | 0 | 112.5 | W59 N62 F107 E108 A109 | W59-L111 HydrophobicContact CE3-CD1 3.67Å; W59-L111 HydrophobicContact CE3-CG 4.16Å; W59-L111 HydrophobicContact CZ3-CD1 3.63Å; W59-L111 HydrophobicContact CZ3-CD2 3.96Å; W59-L111 HydrophobicContact CZ3-CG 3.59Å; N62-L111 HydrophobicContact CB-CD1 4.26Å; N62-L111 PolarHBondContact ND2-O 3.03Å; F107-L111 HydrophobicContact CE1-CD2 3.8Å; F107-L111 HydrophobicContact CZ-CD1 4.44Å; F107-L111 HydrophobicContact CZ-CD2 4.3Å; F107-L111 VanDerWaalsContact O-CB 3.26Å; F107-L111 WeakPolarHBondContact O-CB 3.13Å; F107-L111 PolarHBondContact O-N 3.35Å; E108-L111 WeakPolarHBondContact O-CB 3.29Å; E108-L111 PolarHBondContact O-N 3.37Å; A109-L111 VanDerWaalsContact C-N 3.34Å |
| 112 | F | 86.7 | Confident | 85.6 | Confident | 46 Ų | 46 | 33.6 Ų | 33.6 | 20% | 0.202 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -100.7 | -27 | -177.1 | -64.8 | -70.9 | 0 | 0 | 0 | 114.2 | W59 E108 S114 F115 | W59-F112 HydrophobicContact CH2-CD1 4.37Å; W59-F112 AromaticContact CH2-CE1 3.89Å; W59-F112 HydrophobicContact CH2-CE1 3.89Å; E108-F112 HydrophobicContact CB-CD2 4.27Å; E108-F112 WeakPolarHBondContact O-CD2 3.37Å; E108-F112 PolarHBondContact O-N 3.32Å; F112-S114 PolarHBondContact O-N 2.93Å; F112-S114 VanDerWaalsContact O-N 3.09Å; F112-F115 HydrophobicContact CD1-CD2 4.38Å; F112-F115 HydrophobicContact CD1-CE2 4.31Å; F112-F115 WeakPolarHBondContact O-CB 3.49Å; F112-F115 WeakPolarHBondContact O-CD2 3.5Å; F112-F115 PolarHBondContact O-N 3.09Å |
| 113 | G | 85.3 | Confident | 85.5 | Confident | 12 Ų | 12 | 35.4 Ų | 35.4 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -27 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A109 F115 A116 | A109-G113 WeakPolarHBondContact O-CA 3.48Å; A109-G113 PolarHBondContact O-N 3.25Å; G113-F115 PolarHBondContact O-N 3.42Å; G113-A116 VanDerWaalsContact O-CB 3.29Å; G113-A116 WeakPolarHBondContact O-CB 3.45Å; G113-A116 PolarHBondContact O-N 2.94Å |
| 114 | S | 82.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -27 | 173.7 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | L5 N62 F112 A116 | L5-S114 VanDerWaalsContact CD2-O 3.32Å; L5-S114 WeakPolarHBondContact CD2-O 3.48Å; N62-S114 PolarHBondContact ND2-OG 3.28Å; F112-S114 PolarHBondContact O-N 2.93Å; F112-S114 VanDerWaalsContact O-N 3.09Å; S114-A116 VanDerWaalsContact C-N 3.32Å |
| 115 | F | 83.3 | Confident | 85.1 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.4 | -22.2 | 175.5 | -62.3 | -67.9 | 0 | 0 | 0 | 112.7 | L5 M58 W59 F112 G113 I117 C118 T119 L270 | L5-F115 HydrophobicContact CD1-CD1 4.23Å; L5-F115 HydrophobicContact CD1-CE1 4.23Å; L5-F115 HydrophobicContact CD2-CD1 4.37Å; M58-F115 HydrophobicContact CE-CE1 3.79Å; M58-F115 HydrophobicContact CE-CE2 4.29Å; M58-F115 HydrophobicContact CE-CZ 3.48Å; M58-F115 VanDerWaalsContact CE-CZ 3.48Å; M58-F115 HydrophobicContact SD-CE1 4.22Å; M58-F115 HydrophobicContact SD-CZ 4.48Å; W59-F115 HydrophobicContact CH2-CE2 4.29Å; W59-F115 HydrophobicContact CZ2-CE2 4.04Å; W59-F115 AromaticContact CZ2-CZ 3.96Å; W59-F115 HydrophobicContact CZ2-CZ 3.96Å; F112-F115 HydrophobicContact CD1-CD2 4.38Å; F112-F115 HydrophobicContact CD1-CE2 4.31Å; F112-F115 WeakPolarHBondContact O-CB 3.49Å; F112-F115 WeakPolarHBondContact O-CD2 3.5Å; F112-F115 PolarHBondContact O-N 3.09Å; G113-F115 PolarHBondContact O-N 3.42Å; F115-I117 VanDerWaalsContact C-N 3.3Å; F115-I117 PolarHBondContact O-N 2.95Å; F115-C118 PolarHBondContact O-N 3.4Å; F115-C118 VanDerWaalsContact O-N 3.07Å; F115-T119 WeakPolarHBondContact O-CB 3.23Å; F115-T119 PolarHBondContact O-N 3.37Å; F115-T119 PolarHBondContact O-OG1 2.75Å; F115-L270 HydrophobicContact CD1-CD1 4.25Å; F115-L270 HydrophobicContact CG-CD1 4.44Å |
| 116 | A | 82.7 | Confident | 84.8 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 24% | 0.24 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -37.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G113 S114 P120 C274 L278 | G113-A116 VanDerWaalsContact O-CB 3.29Å; G113-A116 WeakPolarHBondContact O-CB 3.45Å; G113-A116 PolarHBondContact O-N 2.94Å; S114-A116 VanDerWaalsContact C-N 3.32Å; A116-P120 WeakPolarHBondContact O-CD 3.18Å; A116-C274 HydrophobicContact CB-CB 4.16Å; A116-L278 HydrophobicContact CB-CD1 3.91Å |
| 117 | I | 80.9 | Confident | 84.6 | Confident | 123 Ų | 123 | 35.5 Ų | 35.5 | 63% | 0.631 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -76 | -34.7 | 175.1 | -59.8 | 173.1 | 0 | 0 | 0 | 110.8 | F115 | F115-I117 VanDerWaalsContact C-N 3.3Å; F115-I117 PolarHBondContact O-N 2.95Å |
| 118 | C | 77 | Confident | 84.3 | Confident | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79.9 | -34.2 | -174.9 | 179.3 | 0 | 0 | 0 | 0 | 113.7 | L5 F115 V121 I122 | L5-C118 HydrophobicContact CD1-CB 4.14Å; L5-C118 WeakPolarHBondContact CD1-SG 3.44Å; L5-C118 HydrophobicContact CD2-CB 3.52Å; L5-C118 HydrophobicContact CG-CB 3.71Å; L5-C118 VanDerWaalsContact CG-SG 3.51Å; F115-C118 PolarHBondContact O-N 3.4Å; F115-C118 VanDerWaalsContact O-N 3.07Å; C118-V121 WeakPolarHBondContact O-CB 3.41Å; C118-V121 PolarHBondContact O-N 3.3Å; C118-I122 PolarHBondContact O-N 3.04Å; C118-I122 WeakPolarHBondContact SG-CD1 3.25Å |
| 119 | T | 81.7 | Confident | 83.9 | Confident | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.1 | -47.4 | -178.5 | -80.4 | 0 | 0 | 0 | 0 | 112.9 | F115 V121 I122 F123 S267 L271 | F115-T119 WeakPolarHBondContact O-CB 3.23Å; F115-T119 PolarHBondContact O-N 3.37Å; F115-T119 PolarHBondContact O-OG1 2.75Å; T119-V121 VanDerWaalsContact C-N 3.34Å; T119-V121 PolarHBondContact O-N 3.47Å; T119-I122 PolarHBondContact O-N 2.81Å; T119-F123 WeakPolarHBondContact O-CB 3.46Å; T119-F123 PolarHBondContact O-N 3.31Å; T119-S267 WeakPolarHBondContact CG2-O 3.34Å; T119-S267 PolarHBondContact OG1-O 3.08Å; T119-L271 HydrophobicContact CG2-CB 4.2Å; T119-L271 HydrophobicContact CG2-CD1 4.16Å |
| 120 | P | 83.6 | Confident | 83.5 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 40% | 0.403 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 172.7 | -25.1 | 35.1 | 0 | 0 | 0 | 113.3 | A116 F123 I124 | A116-P120 WeakPolarHBondContact O-CD 3.18Å; P120-F123 PolarHBondContact O-N 3.39Å; P120-I124 WeakPolarHBondContact O-CB 3.4Å; P120-I124 VanDerWaalsContact O-CG1 3.3Å; P120-I124 WeakPolarHBondContact O-CG1 3.41Å; P120-I124 PolarHBondContact O-N 2.6Å |
| 121 | V | 82.7 | Confident | 83.2 | Confident | 79 Ų | 79 | 38.9 Ų | 38.9 | 48% | 0.479 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66 | -43.2 | 179.6 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | C118 T119 A125 | C118-V121 WeakPolarHBondContact O-CB 3.41Å; C118-V121 PolarHBondContact O-N 3.3Å; T119-V121 VanDerWaalsContact C-N 3.34Å; T119-V121 PolarHBondContact O-N 3.47Å; V121-A125 VanDerWaalsContact O-CB 3.29Å; V121-A125 WeakPolarHBondContact O-CB 3.11Å; V121-A125 PolarHBondContact O-N 3.36Å |
| 122 | I | 79.3 | Confident | 83 | Confident | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.087 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 172.2 | -67.9 | 168.8 | 0 | 0 | 0 | 110.1 | T9 C118 T119 A125 C126 | T9-I122 HydrophobicContact CG2-CG1 3.72Å; C118-I122 PolarHBondContact O-N 3.04Å; C118-I122 WeakPolarHBondContact SG-CD1 3.25Å; T119-I122 PolarHBondContact O-N 2.81Å; I122-A125 PolarHBondContact O-N 3.35Å; I122-C126 WeakPolarHBondContact O-CB 3.41Å; I122-C126 PolarHBondContact O-N 3.06Å; I122-C126 PolarHBondContact O-SG 3.22Å |
| 123 | F | 83.8 | Confident | 82.5 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 17% | 0.167 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | -177.4 | -170 | -97.8 | 0 | 0 | 0 | 111.6 | T119 P120 C126 I127 M264 L268 | T119-F123 WeakPolarHBondContact O-CB 3.46Å; T119-F123 PolarHBondContact O-N 3.31Å; P120-F123 PolarHBondContact O-N 3.39Å; F123-C126 PolarHBondContact O-N 2.9Å; F123-I127 HydrophobicContact CD1-CD1 3.84Å; F123-I127 HydrophobicContact CE1-CD1 3.68Å; F123-I127 HydrophobicContact CZ-CD1 4.5Å; F123-I127 WeakPolarHBondContact O-CG1 3.39Å; F123-I127 PolarHBondContact O-N 2.98Å; F123-I127 VanDerWaalsContact O-N 3.08Å; F123-M264 HydrophobicContact CD2-CE 3.98Å; F123-M264 HydrophobicContact CD2-CG 3.59Å; F123-M264 HydrophobicContact CD2-SD 4.18Å; F123-M264 HydrophobicContact CE2-CE 3.79Å; F123-M264 HydrophobicContact CE2-CG 3.42Å; F123-M264 VanDerWaalsContact CE2-CG 3.42Å; F123-M264 HydrophobicContact CE2-SD 3.59Å; F123-M264 VanDerWaalsContact CE2-SD 3.59Å; F123-M264 HydrophobicContact CG-CE 4.42Å; F123-M264 HydrophobicContact CZ-CE 4.09Å; F123-M264 HydrophobicContact CZ-CG 4.48Å; F123-M264 HydrophobicContact CZ-SD 4.12Å; F123-L268 HydrophobicContact CD2-CD2 4.13Å; F123-L268 HydrophobicContact CD2-CG 4.22Å; F123-L268 HydrophobicContact CE2-CD1 4Å; F123-L268 HydrophobicContact CE2-CD2 3.99Å; F123-L268 HydrophobicContact CE2-CG 4.08Å |
| 124 | I | 85.8 | Confident | 82.2 | Confident | 104 Ų | 104 | 46 Ų | 46 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 176.3 | -66.6 | 164.6 | 0 | 0 | 0 | 111 | P120 C126 I127 V128 | P120-I124 WeakPolarHBondContact O-CB 3.4Å; P120-I124 VanDerWaalsContact O-CG1 3.3Å; P120-I124 WeakPolarHBondContact O-CG1 3.41Å; P120-I124 PolarHBondContact O-N 2.6Å; I124-C126 VanDerWaalsContact C-N 3.31Å; I124-C126 PolarHBondContact O-N 3.15Å; I124-I127 WeakPolarHBondContact O-CB 3.37Å; I124-I127 PolarHBondContact O-N 2.81Å; I124-I127 VanDerWaalsContact O-N 3.13Å; I124-V128 WeakPolarHBondContact O-CG2 3.47Å; I124-V128 PolarHBondContact O-N 3.46Å |
| 125 | A | 82.5 | Confident | 82.1 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V121 I122 I127 V128 L129 | V121-A125 VanDerWaalsContact O-CB 3.29Å; V121-A125 WeakPolarHBondContact O-CB 3.11Å; V121-A125 PolarHBondContact O-N 3.36Å; I122-A125 PolarHBondContact O-N 3.35Å; A125-I127 VanDerWaalsContact C-N 3.34Å; A125-I127 PolarHBondContact O-N 3.37Å; A125-V128 PolarHBondContact O-N 3.43Å; A125-L129 WeakPolarHBondContact O-CB 3.39Å; A125-L129 VanDerWaalsContact O-CD1 3.29Å; A125-L129 WeakPolarHBondContact O-CD1 3.23Å; A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.44Å; A125-L129 PolarHBondContact O-N 3.34Å |
| 126 | C | 82.2 | Confident | 82.1 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.034 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | I122 F123 I124 A130 I260 M264 | I122-C126 WeakPolarHBondContact O-CB 3.41Å; I122-C126 PolarHBondContact O-N 3.06Å; I122-C126 PolarHBondContact O-SG 3.22Å; F123-C126 PolarHBondContact O-N 2.9Å; I124-C126 VanDerWaalsContact C-N 3.31Å; I124-C126 PolarHBondContact O-N 3.15Å; C126-A130 WeakPolarHBondContact O-CB 3.3Å; C126-A130 PolarHBondContact O-N 3.13Å; C126-I260 HydrophobicContact CB-CG2 3.91Å; C126-I260 VanDerWaalsContact O-CG2 3.32Å; C126-I260 WeakPolarHBondContact O-CG2 3.23Å; C126-M264 HydrophobicContact CB-CB 4.44Å; C126-M264 HydrophobicContact CB-CE 3.96Å |
| 127 | I | 85.9 | Confident | 82.2 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -50.9 | 173.8 | -65.4 | 167.9 | 0 | 0 | 0 | 110.5 | F123 I124 A125 L129 A130 C131 L139 V142 M264 | F123-I127 HydrophobicContact CD1-CD1 3.84Å; F123-I127 HydrophobicContact CE1-CD1 3.68Å; F123-I127 HydrophobicContact CZ-CD1 4.5Å; F123-I127 WeakPolarHBondContact O-CG1 3.39Å; F123-I127 PolarHBondContact O-N 2.98Å; F123-I127 VanDerWaalsContact O-N 3.08Å; I124-I127 WeakPolarHBondContact O-CB 3.37Å; I124-I127 PolarHBondContact O-N 2.81Å; I124-I127 VanDerWaalsContact O-N 3.13Å; A125-I127 VanDerWaalsContact C-N 3.34Å; A125-I127 PolarHBondContact O-N 3.37Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 2.82Å; I127-A130 PolarHBondContact O-N 3.4Å; I127-C131 PolarHBondContact O-N 3.27Å; I127-C131 PolarHBondContact O-SG 3.06Å; I127-C131 VanDerWaalsContact O-SG 3.36Å; I127-L139 HydrophobicContact CG2-CD2 4.41Å; I127-V142 HydrophobicContact CD1-CG1 3.75Å; I127-V142 HydrophobicContact CG1-CG1 3.8Å; I127-V142 HydrophobicContact CG1-CG2 3.97Å; I127-V142 HydrophobicContact CG2-CG2 4.41Å; I127-M264 HydrophobicContact CD1-CE 4.39Å; I127-M264 HydrophobicContact CG1-CE 3.56Å |
| 128 | V | 86.2 | Confident | 82.3 | Confident | 96 Ų | 96 | 45.7 Ų | 45.7 | 58% | 0.582 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.5 | -41.4 | -179.2 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | I124 A125 F132 | I124-V128 WeakPolarHBondContact O-CG2 3.47Å; I124-V128 PolarHBondContact O-N 3.46Å; A125-V128 PolarHBondContact O-N 3.43Å; V128-F132 WeakPolarHBondContact O-CB 3.31Å; V128-F132 PolarHBondContact O-N 3.24Å |
| 129 | L | 80.1 | Confident | 82.8 | Confident | 34 Ų | 34 | 49 Ų | 49 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 176.4 | -71.7 | 157 | 0 | 0 | 0 | 113 | V13 I17 A125 I127 C131 F132 V133 I260 | V13-L129 HydrophobicContact CB-CD1 3.93Å; V13-L129 HydrophobicContact CG1-CD1 3.42Å; V13-L129 VanDerWaalsContact CG1-CD1 3.42Å; V13-L129 HydrophobicContact CG1-CD2 3.73Å; V13-L129 HydrophobicContact CG1-CG 4.17Å; V13-L129 HydrophobicContact CG2-CD1 3.41Å; V13-L129 VanDerWaalsContact CG2-CD1 3.41Å; I17-L129 HydrophobicContact CD1-CD2 4.43Å; A125-L129 WeakPolarHBondContact O-CB 3.39Å; A125-L129 VanDerWaalsContact O-CD1 3.29Å; A125-L129 WeakPolarHBondContact O-CD1 3.23Å; A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.44Å; A125-L129 PolarHBondContact O-N 3.34Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 2.82Å; L129-C131 VanDerWaalsContact C-N 3.3Å; L129-C131 PolarHBondContact O-N 2.95Å; L129-F132 PolarHBondContact O-N 3.03Å; L129-F132 VanDerWaalsContact O-N 3.11Å; L129-V133 WeakPolarHBondContact O-CG2 3.14Å; L129-V133 PolarHBondContact O-N 3.14Å; L129-I260 HydrophobicContact CB-CD1 3.99Å |
| 130 | A | 82.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C126 I127 F132 V133 L134 A138 I260 F261 | C126-A130 WeakPolarHBondContact O-CB 3.3Å; C126-A130 PolarHBondContact O-N 3.13Å; I127-A130 PolarHBondContact O-N 3.4Å; A130-F132 VanDerWaalsContact C-N 3.3Å; A130-F132 PolarHBondContact O-N 3.1Å; A130-V133 PolarHBondContact O-N 2.91Å; A130-L134 PolarHBondContact O-N 2.78Å; A130-A138 VanDerWaalsContact C-CB 3.41Å; A130-A138 HydrophobicContact CB-CB 3.79Å; A130-A138 VanDerWaalsContact O-CB 3.31Å; A130-A138 WeakPolarHBondContact O-CB 3.48Å; A130-I260 HydrophobicContact CB-CG2 4.13Å; A130-F261 HydrophobicContact CB-CE1 4.25Å |
| 131 | C | 85.3 | Confident | 83.2 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 27% | 0.27 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.4 | -29 | 174.1 | -66.4 | 0 | 0 | 0 | 0 | 113.5 | I127 L129 G135 | I127-C131 PolarHBondContact O-N 3.27Å; I127-C131 PolarHBondContact O-SG 3.06Å; I127-C131 VanDerWaalsContact O-SG 3.36Å; L129-C131 VanDerWaalsContact C-N 3.3Å; L129-C131 PolarHBondContact O-N 2.95Å; C131-G135 WeakPolarHBondContact O-CA 3.28Å; C131-G135 PolarHBondContact O-N 3.29Å |
| 132 | F | 82.9 | Confident | 83.3 | Confident | 183 Ų | 183 | 44 Ų | 44 | 80% | 0.803 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -75.4 | -32.5 | 174.5 | -170.9 | -92.6 | 0 | 0 | 0 | 112.8 | V128 L129 A130 | V128-F132 WeakPolarHBondContact O-CB 3.31Å; V128-F132 PolarHBondContact O-N 3.24Å; L129-F132 PolarHBondContact O-N 3.03Å; L129-F132 VanDerWaalsContact O-N 3.11Å; A130-F132 VanDerWaalsContact C-N 3.3Å; A130-F132 PolarHBondContact O-N 3.1Å |
| 133 | V | 76.9 | Confident | 83.8 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -85.1 | -36.9 | -178.9 | 176.5 | 0 | 0 | 0 | 0 | 113.1 | L129 A130 Q253 T256 I260 | L129-V133 WeakPolarHBondContact O-CG2 3.14Å; L129-V133 PolarHBondContact O-N 3.14Å; A130-V133 PolarHBondContact O-N 2.91Å; V133-Q253 HydrophobicContact CG1-CB 4.18Å; V133-Q253 HydrophobicContact CG1-CG 4.41Å; V133-T256 HydrophobicContact CG1-CG2 4.28Å; V133-T256 HydrophobicContact CG2-CG2 4.01Å; V133-I260 HydrophobicContact CG2-CD1 4.33Å |
| 134 | L | 77.2 | Confident | 84 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -120.2 | 6 | -173.6 | -85.5 | 173.5 | 0 | 0 | 0 | 114.4 | A130 T137 A138 T236 F237 T257 | A130-L134 PolarHBondContact O-N 2.78Å; L134-T137 PolarHBondContact O-OG1 2.69Å; L134-A138 HydrophobicContact CB-CB 4.1Å; L134-T236 HydrophobicContact CD1-CG2 3.74Å; L134-F237 HydrophobicContact CD1-CE1 4.28Å; L134-T257 HydrophobicContact CD1-CG2 3.57Å; L134-T257 WeakPolarHBondContact CD1-OG1 3.5Å |
| 135 | G | 82 | Confident | 84.1 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | 62.1 | -156.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C131 T137 A138 | C131-G135 WeakPolarHBondContact O-CA 3.28Å; C131-G135 PolarHBondContact O-N 3.29Å; G135-T137 PolarHBondContact O-N 2.66Å; G135-T137 VanDerWaalsContact O-N 3.09Å; G135-A138 WeakPolarHBondContact O-CB 3.45Å; G135-A138 PolarHBondContact O-N 3.23Å |
| 136 | Y | 83.7 | Confident | 84.2 | Confident | 146 Ų | 146 | 43.7 Ų | 43.7 | 57% | 0.573 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -59.5 | -23.2 | -178.3 | 66.3 | -90.9 | 0 | 0 | 0 | 114 | A138 L139 L243 | Y136-A138 PolarHBondContact O-N 2.79Å; Y136-L139 WeakPolarHBondContact O-CB 3.49Å; Y136-L139 WeakPolarHBondContact O-CG 3.41Å; Y136-L139 PolarHBondContact O-N 2.94Å; Y136-L139 VanDerWaalsContact O-N 3.13Å; Y136-L243 HydrophobicContact CE2-CD1 4Å |
| 137 | T | 84.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -61 | -28.3 | -179.6 | 68.1 | 0 | 0 | 0 | 0 | 113 | L134 G135 L139 T140 H240 L243 L245 | L134-T137 PolarHBondContact O-OG1 2.69Å; G135-T137 PolarHBondContact O-N 2.66Å; G135-T137 VanDerWaalsContact O-N 3.09Å; T137-L139 PolarHBondContact O-N 3.36Å; T137-T140 WeakPolarHBondContact O-CB 3.45Å; T137-T140 WeakPolarHBondContact O-CG2 3.45Å; T137-T140 PolarHBondContact O-N 3.09Å; T137-T140 VanDerWaalsContact O-N 3.14Å; T137-T140 PolarHBondContact O-OG1 3.36Å; T137-H240 HydrophobicContact CG2-CB 4.4Å; T137-H240 PolarHBondContact OG1-ND1 3.37Å; T137-L243 HydrophobicContact CG2-CD1 3.95Å; T137-L245 HydrophobicContact CG2-CD1 3.51Å |
| 138 | A | 82.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -56.3 | -30.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A130 L134 G135 Y136 T140 G141 V142 | A130-A138 VanDerWaalsContact C-CB 3.41Å; A130-A138 HydrophobicContact CB-CB 3.79Å; A130-A138 VanDerWaalsContact O-CB 3.31Å; A130-A138 WeakPolarHBondContact O-CB 3.48Å; L134-A138 HydrophobicContact CB-CB 4.1Å; G135-A138 WeakPolarHBondContact O-CB 3.45Å; G135-A138 PolarHBondContact O-N 3.23Å; Y136-A138 PolarHBondContact O-N 2.79Å; A138-T140 PolarHBondContact O-N 3.38Å; A138-T140 VanDerWaalsContact O-N 3.15Å; A138-G141 PolarHBondContact O-N 2.96Å; A138-G141 VanDerWaalsContact O-N 3.11Å; A138-V142 PolarHBondContact O-N 3.43Å |
| 139 | L | 87.1 | Confident | 84.3 | Confident | 81 Ų | 81 | 47.6 Ų | 47.6 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.6 | -25.3 | -179.7 | -64.8 | 173.1 | 0 | 0 | 0 | 112.3 | I127 Y136 T137 G141 V142 C143 | I127-L139 HydrophobicContact CG2-CD2 4.41Å; Y136-L139 WeakPolarHBondContact O-CB 3.49Å; Y136-L139 WeakPolarHBondContact O-CG 3.41Å; Y136-L139 PolarHBondContact O-N 2.94Å; Y136-L139 VanDerWaalsContact O-N 3.13Å; T137-L139 PolarHBondContact O-N 3.36Å; L139-G141 PolarHBondContact O-N 2.86Å; L139-V142 PolarHBondContact O-N 3.07Å; L139-C143 PolarHBondContact O-N 2.96Å; L139-C143 PolarHBondContact O-SG 3.21Å |
| 140 | T | 87.7 | Confident | 84.6 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 22% | 0.221 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.7 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | T137 A138 C143 I144 T236 V239 | T137-T140 WeakPolarHBondContact O-CB 3.45Å; T137-T140 WeakPolarHBondContact O-CG2 3.45Å; T137-T140 PolarHBondContact O-N 3.09Å; T137-T140 VanDerWaalsContact O-N 3.14Å; T137-T140 PolarHBondContact O-OG1 3.36Å; A138-T140 PolarHBondContact O-N 3.38Å; A138-T140 VanDerWaalsContact O-N 3.15Å; T140-C143 PolarHBondContact O-N 2.83Å; T140-I144 PolarHBondContact O-N 3.22Å; T140-T236 WeakPolarHBondContact OG1-CA 3.45Å; T140-T236 PolarHBondContact OG1-OG1 3.39Å; T140-V239 HydrophobicContact CG2-CB 4.25Å; T140-V239 HydrophobicContact CG2-CG1 4.03Å; T140-V239 HydrophobicContact CG2-CG2 4.3Å |
| 141 | G | 85.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.9 | -35.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A138 L139 I144 Y145 T236 | A138-G141 PolarHBondContact O-N 2.96Å; A138-G141 VanDerWaalsContact O-N 3.11Å; L139-G141 PolarHBondContact O-N 2.86Å; G141-I144 WeakPolarHBondContact O-CB 3.25Å; G141-I144 PolarHBondContact O-N 3.19Å; G141-Y145 WeakPolarHBondContact O-CD2 3.36Å; G141-Y145 PolarHBondContact O-N 2.82Å; G141-T236 WeakPolarHBondContact CA-OG1 3.36Å; G141-T236 PolarHBondContact N-OG1 3.49Å |
| 142 | V | 86.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 111 | I127 A138 L139 I144 Y145 I146 M264 | I127-V142 HydrophobicContact CD1-CG1 3.75Å; I127-V142 HydrophobicContact CG1-CG1 3.8Å; I127-V142 HydrophobicContact CG1-CG2 3.97Å; I127-V142 HydrophobicContact CG2-CG2 4.41Å; A138-V142 PolarHBondContact O-N 3.43Å; L139-V142 PolarHBondContact O-N 3.07Å; V142-I144 VanDerWaalsContact C-N 3.32Å; V142-I144 PolarHBondContact O-N 3.45Å; V142-Y145 WeakPolarHBondContact O-CB 3.36Å; V142-Y145 PolarHBondContact O-N 3.2Å; V142-Y145 VanDerWaalsContact O-N 3.13Å; V142-I146 HydrophobicContact CG1-CD1 3.97Å; V142-I146 HydrophobicContact CG1-CG1 4.49Å; V142-I146 WeakPolarHBondContact O-CG1 3.21Å; V142-I146 PolarHBondContact O-N 2.91Å; V142-M264 HydrophobicContact CG2-CE 4.43Å |
| 143 | C | 88.7 | Confident | 84.6 | Confident | 66 Ų | 66 | 50 Ų | 50 | 45% | 0.446 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 174.2 | -72.6 | 0 | 0 | 0 | 0 | 112.4 | L139 T140 I146 I147 | L139-C143 PolarHBondContact O-N 2.96Å; L139-C143 PolarHBondContact O-SG 3.21Å; T140-C143 PolarHBondContact O-N 2.83Å; C143-I146 PolarHBondContact O-N 3.18Å; C143-I147 VanDerWaalsContact O-CG1 3.28Å; C143-I147 WeakPolarHBondContact O-CG1 3.16Å; C143-I147 PolarHBondContact O-N 2.87Å |
| 144 | I | 88.6 | Confident | 85 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 172.1 | -72.8 | 165.3 | 0 | 0 | 0 | 110.5 | T140 G141 V142 I146 I147 F148 I228 V231 A232 L235 | T140-I144 PolarHBondContact O-N 3.22Å; G141-I144 WeakPolarHBondContact O-CB 3.25Å; G141-I144 PolarHBondContact O-N 3.19Å; V142-I144 VanDerWaalsContact C-N 3.32Å; V142-I144 PolarHBondContact O-N 3.45Å; I144-I146 VanDerWaalsContact C-N 3.33Å; I144-I146 PolarHBondContact O-N 2.69Å; I144-I147 PolarHBondContact O-N 2.87Å; I144-F148 HydrophobicContact CG2-CD2 3.78Å; I144-F148 HydrophobicContact CG2-CE2 4.05Å; I144-F148 WeakPolarHBondContact O-CD2 3.48Å; I144-F148 PolarHBondContact O-N 2.73Å; I144-I228 HydrophobicContact CG2-CG2 4.2Å; I144-V231 HydrophobicContact CD1-CG1 4.07Å; I144-V231 HydrophobicContact CG2-CG1 4.47Å; I144-A232 HydrophobicContact CD1-CB 4.5Å; I144-A232 HydrophobicContact CG2-CB 4.33Å; I144-L235 HydrophobicContact CD1-CB 3.61Å; I144-L235 HydrophobicContact CD1-CD2 3.51Å; I144-L235 HydrophobicContact CD1-CG 4.17Å; I144-L235 HydrophobicContact CG1-CD2 4.14Å |
| 145 | Y | 87 | Confident | 85.3 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -42.8 | 176.1 | -82.1 | -75.3 | 0 | 0 | 0 | 112.4 | G141 V142 I147 F148 V149 I228 P229 A232 F261 M264 R265 L268 | G141-Y145 WeakPolarHBondContact O-CD2 3.36Å; G141-Y145 PolarHBondContact O-N 2.82Å; V142-Y145 WeakPolarHBondContact O-CB 3.36Å; V142-Y145 PolarHBondContact O-N 3.2Å; V142-Y145 VanDerWaalsContact O-N 3.13Å; Y145-I147 VanDerWaalsContact C-N 3.33Å; Y145-I147 PolarHBondContact O-N 2.77Å; Y145-F148 PolarHBondContact O-N 3.26Å; Y145-V149 WeakPolarHBondContact O-CB 3.49Å; Y145-V149 VanDerWaalsContact O-CG2 3.24Å; Y145-V149 WeakPolarHBondContact O-CG2 2.98Å; Y145-V149 PolarHBondContact O-N 3.06Å; Y145-V149 VanDerWaalsContact O-N 3.09Å; Y145-I228 HydrophobicContact CD1-CG2 3.49Å; Y145-I228 VanDerWaalsContact CD1-CG2 3.49Å; Y145-I228 HydrophobicContact CD2-CG2 4.44Å; Y145-I228 HydrophobicContact CE1-CB 4.39Å; Y145-I228 HydrophobicContact CE1-CG2 3.31Å; Y145-I228 HydrophobicContact CE2-CG2 4.3Å; Y145-I228 HydrophobicContact CG-CG2 4.08Å; Y145-P229 WeakPolarHBondContact OH-CA 3.5Å; Y145-P229 WeakPolarHBondContact OH-CB 3.42Å; Y145-P229 WeakPolarHBondContact OH-CG 3.25Å; Y145-A232 HydrophobicContact CD2-CB 4.35Å; Y145-A232 HydrophobicContact CE2-CB 3.88Å; Y145-F261 HydrophobicContact CE2-CB 4.18Å; Y145-F261 HydrophobicContact CE2-CD1 4.33Å; Y145-F261 HydrophobicContact CE2-CG 4.19Å; Y145-F261 PolarHBondContact OH-O 3.22Å; Y145-M264 HydrophobicContact CD1-CG 4.22Å; Y145-M264 HydrophobicContact CD1-SD 4.3Å; Y145-M264 HydrophobicContact CD2-CG 4.14Å; Y145-M264 HydrophobicContact CD2-SD 3.32Å; Y145-M264 WeakPolarHBondContact CD2-SD 3.46Å; Y145-M264 HydrophobicContact CE1-CG 4.26Å; Y145-M264 HydrophobicContact CE2-CB 4.46Å; Y145-M264 HydrophobicContact CE2-CG 4.19Å; Y145-M264 HydrophobicContact CE2-SD 3.75Å; Y145-M264 HydrophobicContact CG-CG 4.15Å; Y145-M264 HydrophobicContact CG-SD 3.64Å; Y145-R265 HydrophobicContact CE1-CB 4.47Å; Y145-L268 HydrophobicContact CD1-CD1 3.44Å; Y145-L268 VanDerWaalsContact CD1-CD1 3.44Å; Y145-L268 HydrophobicContact CE1-CD1 4.04Å; Y145-L268 HydrophobicContact CG-CD1 4.33Å |
| 146 | I | 85.6 | Confident | 85.3 | Confident | 99 Ų | 99 | 54.9 Ų | 54.9 | 51% | 0.508 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 177.6 | -68.3 | 167.9 | 0 | 0 | 0 | 111.9 | V142 C143 I144 P150 | V142-I146 HydrophobicContact CG1-CD1 3.97Å; V142-I146 HydrophobicContact CG1-CG1 4.49Å; V142-I146 WeakPolarHBondContact O-CG1 3.21Å; V142-I146 PolarHBondContact O-N 2.91Å; C143-I146 PolarHBondContact O-N 3.18Å; I144-I146 VanDerWaalsContact C-N 3.33Å; I144-I146 PolarHBondContact O-N 2.69Å; I146-P150 WeakPolarHBondContact O-CD 3.45Å |
| 147 | I | 87.4 | Confident | 85.3 | Confident | 118 Ų | 118 | 54 Ų | 54 | 61% | 0.605 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -72.8 | -41.3 | 178.4 | -69.6 | 163.7 | 0 | 0 | 0 | 111.9 | C143 I144 Y145 P150 | C143-I147 VanDerWaalsContact O-CG1 3.28Å; C143-I147 WeakPolarHBondContact O-CG1 3.16Å; C143-I147 PolarHBondContact O-N 2.87Å; I144-I147 PolarHBondContact O-N 2.87Å; Y145-I147 VanDerWaalsContact C-N 3.33Å; Y145-I147 PolarHBondContact O-N 2.77Å; I147-P150 WeakPolarHBondContact O-CD 3.38Å |
| 148 | F | 85.6 | Confident | 85.3 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 25% | 0.254 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -80.9 | -22.9 | -175.4 | -84 | -83.9 | 0 | 0 | 0 | 114.5 | I144 Y145 L151 Q152 I224 I228 | I144-F148 HydrophobicContact CG2-CD2 3.78Å; I144-F148 HydrophobicContact CG2-CE2 4.05Å; I144-F148 WeakPolarHBondContact O-CD2 3.48Å; I144-F148 PolarHBondContact O-N 2.73Å; Y145-F148 PolarHBondContact O-N 3.26Å; F148-L151 HydrophobicContact CD1-CD2 4.06Å; F148-L151 HydrophobicContact CE1-CD2 4.22Å; F148-L151 WeakPolarHBondContact O-CB 3.4Å; F148-L151 PolarHBondContact O-N 2.86Å; F148-Q152 WeakPolarHBondContact O-CG 3.46Å; F148-Q152 PolarHBondContact O-N 2.89Å; F148-I224 HydrophobicContact CD1-CG2 3.7Å; F148-I224 HydrophobicContact CE1-CG2 4.19Å; F148-I228 HydrophobicContact CB-CD1 3.54Å; F148-I228 HydrophobicContact CB-CG1 3.75Å; F148-I228 HydrophobicContact CD1-CD1 4.32Å; F148-I228 HydrophobicContact CD1-CG1 4.04Å; F148-I228 HydrophobicContact CD2-CG1 4.18Å; F148-I228 HydrophobicContact CG-CD1 4.05Å; F148-I228 HydrophobicContact CG-CG1 3.73Å |
| 149 | V | 82.9 | Confident | 85.3 | Confident | 46 Ų | 46 | 57 Ų | 57 | 28% | 0.279 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 178.1 | 161.8 | 0 | 0 | 0 | 0 | 113.2 | Y145 L151 Q152 F153 L268 | Y145-V149 WeakPolarHBondContact O-CB 3.49Å; Y145-V149 VanDerWaalsContact O-CG2 3.24Å; Y145-V149 WeakPolarHBondContact O-CG2 2.98Å; Y145-V149 PolarHBondContact O-N 3.06Å; Y145-V149 VanDerWaalsContact O-N 3.09Å; V149-L151 VanDerWaalsContact C-N 3.29Å; V149-L151 PolarHBondContact O-N 3.34Å; V149-Q152 PolarHBondContact O-N 3.09Å; V149-F153 PolarHBondContact O-N 2.79Å; V149-L268 HydrophobicContact CG2-CD1 3.58Å; V149-L268 HydrophobicContact CG2-CD2 3.67Å; V149-L268 HydrophobicContact CG2-CG 4.2Å |
| 150 | P | 85.8 | Confident | 85.1 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.9 | -38.7 | 171.9 | -28 | 35.6 | 0 | 0 | 0 | 113.6 | I146 I147 F153 F154 | I146-P150 WeakPolarHBondContact O-CD 3.45Å; I147-P150 WeakPolarHBondContact O-CD 3.38Å; P150-F153 PolarHBondContact O-N 2.76Å; P150-F154 PolarHBondContact O-N 3.27Å |
| 151 | L | 85.3 | Confident | 85.1 | Confident | 72 Ų | 72 | 62.7 Ų | 62.7 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 177.5 | 179.2 | 60.4 | 0 | 0 | 0 | 111.6 | F148 V149 F153 F154 L155 I224 | F148-L151 HydrophobicContact CD1-CD2 4.06Å; F148-L151 HydrophobicContact CE1-CD2 4.22Å; F148-L151 WeakPolarHBondContact O-CB 3.4Å; F148-L151 PolarHBondContact O-N 2.86Å; V149-L151 VanDerWaalsContact C-N 3.29Å; V149-L151 PolarHBondContact O-N 3.34Å; L151-F153 VanDerWaalsContact C-N 3.32Å; L151-F153 PolarHBondContact O-N 2.64Å; L151-F154 PolarHBondContact O-N 2.85Å; L151-L155 HydrophobicContact CD1-CD1 4.46Å; L151-L155 HydrophobicContact CG-CD1 4.31Å; L151-L155 WeakPolarHBondContact O-CG 3.1Å; L151-L155 PolarHBondContact O-N 3.33Å; L151-I224 HydrophobicContact CD2-CD1 4.23Å |
| 152 | Q | 83.1 | Confident | 85.1 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 173.3 | -72.6 | -177 | -22.2 | 0 | 0 | 112.1 | F148 V149 L155 A156 I224 S225 I228 | F148-Q152 WeakPolarHBondContact O-CG 3.46Å; F148-Q152 PolarHBondContact O-N 2.89Å; V149-Q152 PolarHBondContact O-N 3.09Å; Q152-L155 PolarHBondContact O-N 3.32Å; Q152-A156 WeakPolarHBondContact O-CB 3.33Å; Q152-A156 PolarHBondContact O-N 2.99Å; Q152-I224 HydrophobicContact CG-CG2 4.17Å; Q152-S225 VanDerWaalsContact NE2-CA 3.3Å; Q152-I228 VanDerWaalsContact NE2-CD1 3.27Å |
| 153 | F | 82.5 | Confident | 84.9 | Confident | 121 Ų | 121 | 68.6 Ų | 68.6 | 53% | 0.531 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 177.6 | -175.3 | -114.2 | 0 | 0 | 0 | 112.7 | V149 P150 L151 A156 K157 | V149-F153 PolarHBondContact O-N 2.79Å; P150-F153 PolarHBondContact O-N 2.76Å; L151-F153 VanDerWaalsContact C-N 3.32Å; L151-F153 PolarHBondContact O-N 2.64Å; F153-A156 PolarHBondContact O-N 3.25Å; F153-K157 HydrophobicContact CE1-CD 4.15Å; F153-K157 VanDerWaalsContact CE1-CE 3.44Å; F153-K157 HydrophobicContact CZ-CD 4.48Å; F153-K157 PolarHBondContact O-N 3.44Å |
| 154 | F | 85.7 | Confident | 84.7 | Confident | 128 Ų | 128 | 72.9 Ų | 72.9 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.5 | -47 | 172.1 | 176.6 | -99.2 | 0 | 0 | 0 | 111.8 | P150 L151 A156 K157 L158 | P150-F154 PolarHBondContact O-N 3.27Å; L151-F154 PolarHBondContact O-N 2.85Å; F154-A156 VanDerWaalsContact C-N 3.34Å; F154-A156 PolarHBondContact O-N 2.96Å; F154-K157 WeakPolarHBondContact O-CB 3.4Å; F154-K157 PolarHBondContact O-N 2.91Å; F154-L158 PolarHBondContact O-N 3.34Å |
| 155 | L | 83.5 | Confident | 84.7 | Confident | 19 Ų | 19 | 76.6 Ų | 76.6 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.8 | -67.9 | 169.1 | 0 | 0 | 0 | 111.7 | L151 Q152 L158 I159 I217 I220 N221 I224 | L151-L155 HydrophobicContact CD1-CD1 4.46Å; L151-L155 HydrophobicContact CG-CD1 4.31Å; L151-L155 WeakPolarHBondContact O-CG 3.1Å; L151-L155 PolarHBondContact O-N 3.33Å; Q152-L155 PolarHBondContact O-N 3.32Å; L155-L158 WeakPolarHBondContact O-CB 3.41Å; L155-L158 PolarHBondContact O-N 3.02Å; L155-L158 VanDerWaalsContact O-N 3.14Å; L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.47Å; L155-I159 PolarHBondContact O-N 2.78Å; L155-I217 HydrophobicContact CB-CG2 4.4Å; L155-I217 HydrophobicContact CD2-CG2 3.93Å; L155-I220 HydrophobicContact CD1-CG2 4.21Å; L155-N221 HydrophobicContact CB-CB 4.18Å; L155-N221 HydrophobicContact CD1-CB 4.26Å; L155-I224 HydrophobicContact CD1-CD1 3.63Å |
| 156 | A | 81.6 | Confident | 84.6 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q152 F153 F154 L158 N160 | Q152-A156 WeakPolarHBondContact O-CB 3.33Å; Q152-A156 PolarHBondContact O-N 2.99Å; F153-A156 PolarHBondContact O-N 3.25Å; F154-A156 VanDerWaalsContact C-N 3.34Å; F154-A156 PolarHBondContact O-N 2.96Å; A156-L158 VanDerWaalsContact C-N 3.31Å; A156-L158 PolarHBondContact O-N 2.75Å; A156-N160 PolarHBondContact O-N 3.29Å; A156-N160 VanDerWaalsContact O-N 3.09Å; A156-N160 PolarHBondContact O-ND2 3.39Å |
| 157 | K | 84.2 | Confident | 84.4 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 56% | 0.557 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.6 | -40.6 | 170.5 | -82.6 | -176.8 | 171.3 | 179.6 | 0 | 111.8 | F153 F154 N160 K161 | F153-K157 HydrophobicContact CE1-CD 4.15Å; F153-K157 VanDerWaalsContact CE1-CE 3.44Å; F153-K157 HydrophobicContact CZ-CD 4.48Å; F153-K157 PolarHBondContact O-N 3.44Å; F154-K157 WeakPolarHBondContact O-CB 3.4Å; F154-K157 PolarHBondContact O-N 2.91Å; K157-N160 PolarHBondContact O-N 2.89Å; K157-K161 WeakPolarHBondContact O-CB 3.42Å; K157-K161 PolarHBondContact O-N 3.5Å |
| 158 | L | 85.5 | Confident | 84.3 | Confident | 49 Ų | 49 | 75.2 Ų | 75.2 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.1 | -41.8 | -179.4 | -162.8 | 67.1 | 0 | 0 | 0 | 112.1 | F154 L155 A156 N160 K161 F162 I217 | F154-L158 PolarHBondContact O-N 3.34Å; L155-L158 WeakPolarHBondContact O-CB 3.41Å; L155-L158 PolarHBondContact O-N 3.02Å; L155-L158 VanDerWaalsContact O-N 3.14Å; A156-L158 VanDerWaalsContact C-N 3.31Å; A156-L158 PolarHBondContact O-N 2.75Å; L158-N160 PolarHBondContact O-N 3.33Å; L158-K161 PolarHBondContact O-N 3.31Å; L158-F162 HydrophobicContact CD1-CD2 4.21Å; L158-F162 HydrophobicContact CD1-CE2 3.65Å; L158-F162 HydrophobicContact CD2-CE2 4.34Å; L158-F162 HydrophobicContact CG-CD2 3.98Å; L158-F162 HydrophobicContact CG-CE2 3.74Å; L158-F162 VanDerWaalsContact O-CD2 3.31Å; L158-F162 WeakPolarHBondContact O-CD2 3.3Å; L158-F162 PolarHBondContact O-N 3.44Å; L158-I217 HydrophobicContact CB-CG2 4.44Å; L158-I217 HydrophobicContact CD2-CD1 3.86Å; L158-I217 HydrophobicContact CD2-CG1 4.39Å; L158-I217 HydrophobicContact CD2-CG2 4.26Å; L158-I217 HydrophobicContact CG-CD1 3.97Å |
| 159 | I | 83.1 | Confident | 84.5 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 8% | 0.077 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -53.3 | -52.8 | 170.4 | -73.1 | 164.1 | 0 | 0 | 0 | 110.1 | L155 K161 F162 R163 V214 I217 Q218 N221 | L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.47Å; L155-I159 PolarHBondContact O-N 2.78Å; I159-K161 PolarHBondContact O-N 2.85Å; I159-F162 PolarHBondContact O-N 3.48Å; I159-R163 VanDerWaalsContact O-CB 3.29Å; I159-R163 WeakPolarHBondContact O-CB 3.18Å; I159-R163 PolarHBondContact O-N 2.7Å; I159-V214 HydrophobicContact CG2-CG1 4.22Å; I159-I217 HydrophobicContact CD1-CG2 4.22Å; I159-I217 HydrophobicContact CG1-CB 3.99Å; I159-I217 HydrophobicContact CG1-CG2 3.64Å; I159-Q218 HydrophobicContact CD1-CB 4.04Å; I159-Q218 HydrophobicContact CG1-CB 4.47Å; I159-N221 HydrophobicContact CD1-CB 4.2Å |
| 160 | N | 82.3 | Confident | 84.6 | Confident | 104 Ų | 104 | 73.7 Ų | 73.7 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.5 | -39.5 | -179.3 | -71 | -18.2 | 0 | 0 | 0 | 112.4 | A156 K157 L158 F162 R163 W164 | A156-N160 PolarHBondContact O-N 3.29Å; A156-N160 VanDerWaalsContact O-N 3.09Å; A156-N160 PolarHBondContact O-ND2 3.39Å; K157-N160 PolarHBondContact O-N 2.89Å; L158-N160 PolarHBondContact O-N 3.33Å; N160-F162 PolarHBondContact O-N 3.12Å; N160-R163 PolarHBondContact O-N 2.77Å; N160-W164 WeakPolarHBondContact O-CB 3.25Å; N160-W164 PolarHBondContact O-N 3.2Å |
| 161 | K | 86.9 | Confident | 84.6 | Confident | 133 Ų | 133 | 74.6 Ų | 74.6 | 58% | 0.578 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 177.2 | -174.7 | 174.6 | -178.6 | 175.6 | 0 | 112.6 | K157 L158 I159 K165 | K157-K161 WeakPolarHBondContact O-CB 3.42Å; K157-K161 PolarHBondContact O-N 3.5Å; L158-K161 PolarHBondContact O-N 3.31Å; I159-K161 PolarHBondContact O-N 2.85Å; K161-K165 PolarHBondContact O-N 3.44Å |
| 162 | F | 86.1 | Confident | 84.6 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 20% | 0.202 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -80.1 | -31.3 | 176.5 | -71.7 | -63.7 | 0 | 0 | 0 | 113 | L158 I159 N160 K165 A166 L213 V214 I217 | L158-F162 HydrophobicContact CD1-CD2 4.21Å; L158-F162 HydrophobicContact CD1-CE2 3.65Å; L158-F162 HydrophobicContact CD2-CE2 4.34Å; L158-F162 HydrophobicContact CG-CD2 3.98Å; L158-F162 HydrophobicContact CG-CE2 3.74Å; L158-F162 VanDerWaalsContact O-CD2 3.31Å; L158-F162 WeakPolarHBondContact O-CD2 3.3Å; L158-F162 PolarHBondContact O-N 3.44Å; I159-F162 PolarHBondContact O-N 3.48Å; N160-F162 PolarHBondContact O-N 3.12Å; F162-K165 PolarHBondContact O-N 2.99Å; F162-A166 PolarHBondContact O-N 3.23Å; F162-L213 HydrophobicContact CD1-CD2 3.72Å; F162-L213 HydrophobicContact CD2-CD2 4.05Å; F162-L213 HydrophobicContact CD2-CG 4.21Å; F162-L213 HydrophobicContact CE1-CD2 3.54Å; F162-L213 HydrophobicContact CE2-CD2 3.87Å; F162-L213 HydrophobicContact CE2-CG 4.32Å; F162-L213 HydrophobicContact CG-CD2 3.98Å; F162-L213 HydrophobicContact CG-CG 4.32Å; F162-L213 HydrophobicContact CZ-CD2 3.63Å; F162-V214 HydrophobicContact CB-CG2 3.58Å; F162-I217 HydrophobicContact CD2-CD1 3.56Å; F162-I217 HydrophobicContact CE2-CD1 3.87Å |
| 163 | R | 81.6 | Confident | 84.9 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.7 | -169.3 | 173.2 | -173 | 150.5 | 6.5 | 111.5 | I159 N160 K165 A166 M167 V214 | I159-R163 VanDerWaalsContact O-CB 3.29Å; I159-R163 WeakPolarHBondContact O-CB 3.18Å; I159-R163 PolarHBondContact O-N 2.7Å; N160-R163 PolarHBondContact O-N 2.77Å; R163-K165 PolarHBondContact O-N 2.92Å; R163-A166 WeakPolarHBondContact O-CB 3.42Å; R163-A166 PolarHBondContact O-N 3.43Å; R163-A166 VanDerWaalsContact O-N 3.14Å; R163-M167 WeakPolarHBondContact O-CG 3.45Å; R163-M167 PolarHBondContact O-N 3.49Å; R163-V214 HydrophobicContact CB-CG1 4.47Å; R163-V214 HydrophobicContact CB-CG2 4.18Å |
| 164 | W | 85.1 | Confident | 85.2 | Confident | 156 Ų | 156 | 66.6 Ų | 66.6 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 173.1 | -176.3 | 78.3 | 0 | 0 | 0 | 112.2 | N160 A166 M167 Q168 | N160-W164 WeakPolarHBondContact O-CB 3.25Å; N160-W164 PolarHBondContact O-N 3.2Å; W164-A166 VanDerWaalsContact C-N 3.28Å; W164-A166 PolarHBondContact O-N 2.91Å; W164-M167 PolarHBondContact O-N 2.99Å; W164-Q168 VanDerWaalsContact CH2-NE2 3.32Å; W164-Q168 HydrophobicContact CZ2-CG 4.45Å; W164-Q168 PolarHBondContact O-N 2.99Å; W164-Q168 VanDerWaalsContact O-N 3.09Å |
| 165 | K | 88.4 | Confident | 85.2 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.3 | -28.8 | 173.6 | -73.3 | -166.5 | 173.2 | -159.9 | 0 | 113.9 | K161 F162 R163 L169 | K161-K165 PolarHBondContact O-N 3.44Å; F162-K165 PolarHBondContact O-N 2.99Å; R163-K165 PolarHBondContact O-N 2.92Å; K165-L169 WeakPolarHBondContact O-CG 3.47Å |
| 166 | A | 84 | Confident | 85.4 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.6 | -47.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F162 R163 W164 Q168 L169 T170 Q210 V211 | F162-A166 PolarHBondContact O-N 3.23Å; R163-A166 WeakPolarHBondContact O-CB 3.42Å; R163-A166 PolarHBondContact O-N 3.43Å; R163-A166 VanDerWaalsContact O-N 3.14Å; W164-A166 VanDerWaalsContact C-N 3.28Å; W164-A166 PolarHBondContact O-N 2.91Å; A166-Q168 PolarHBondContact O-N 3.47Å; A166-L169 WeakPolarHBondContact O-CB 3.44Å; A166-L169 PolarHBondContact O-N 3.1Å; A166-T170 PolarHBondContact O-N 2.91Å; A166-T170 PolarHBondContact O-OG1 3.38Å; A166-Q210 HydrophobicContact CB-CB 3.83Å; A166-V211 HydrophobicContact CB-CG2 4.04Å |
| 167 | M | 81.9 | Confident | 85.7 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.5 | -46.9 | 178.1 | -67.8 | 171.9 | 72 | 0 | 0 | 112 | R163 W164 L169 T170 D171 | R163-M167 WeakPolarHBondContact O-CG 3.45Å; R163-M167 PolarHBondContact O-N 3.49Å; W164-M167 PolarHBondContact O-N 2.99Å; M167-L169 PolarHBondContact O-N 3.43Å; M167-L169 VanDerWaalsContact O-N 3.15Å; M167-T170 CarbonylContact O-C 3.55Å; M167-T170 WeakPolarHBondContact O-CA 3.11Å; M167-T170 WeakPolarHBondContact O-CB 3.39Å; M167-T170 PolarHBondContact O-N 3.07Å; M167-D171 VanDerWaalsContact O-CG 3.23Å; M167-D171 PolarHBondContact O-N 3.36Å |
| 168 | Q | 86.4 | Confident | 85.9 | Confident | 96 Ų | 96 | 61.7 Ų | 61.7 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.2 | -34.3 | 176.4 | -67.2 | -174.9 | -63.4 | 0 | 0 | 113.8 | W164 A166 G172 | W164-Q168 VanDerWaalsContact CH2-NE2 3.32Å; W164-Q168 HydrophobicContact CZ2-CG 4.45Å; W164-Q168 PolarHBondContact O-N 2.99Å; W164-Q168 VanDerWaalsContact O-N 3.09Å; A166-Q168 PolarHBondContact O-N 3.47Å; Q168-G172 PolarHBondContact O-N 2.85Å; Q168-G172 VanDerWaalsContact O-N 3.16Å |
| 169 | L | 88 | Confident | 86 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.3 | -33.3 | 176.7 | -66.3 | 169.7 | 0 | 0 | 0 | 111.9 | K165 A166 M167 R173 K206 E207 Q210 | K165-L169 WeakPolarHBondContact O-CG 3.47Å; A166-L169 WeakPolarHBondContact O-CB 3.44Å; A166-L169 PolarHBondContact O-N 3.1Å; M167-L169 PolarHBondContact O-N 3.43Å; M167-L169 VanDerWaalsContact O-N 3.15Å; L169-R173 WeakPolarHBondContact O-CB 3.18Å; L169-R173 PolarHBondContact O-N 3.08Å; L169-R173 VanDerWaalsContact O-N 3.09Å; L169-K206 HydrophobicContact CD1-CB 4.08Å; L169-K206 HydrophobicContact CD2-CB 4.34Å; L169-E207 HydrophobicContact CB-CB 4.2Å; L169-Q210 HydrophobicContact CD1-CG 3.75Å |
| 170 | T | 85.9 | Confident | 86.3 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 17% | 0.172 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 170.3 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | A166 M167 G172 R173 V174 E207 | A166-T170 PolarHBondContact O-N 2.91Å; A166-T170 PolarHBondContact O-OG1 3.38Å; M167-T170 CarbonylContact O-C 3.55Å; M167-T170 WeakPolarHBondContact O-CA 3.11Å; M167-T170 WeakPolarHBondContact O-CB 3.39Å; M167-T170 PolarHBondContact O-N 3.07Å; T170-G172 PolarHBondContact O-N 3.43Å; T170-R173 WeakPolarHBondContact O-CB 3.33Å; T170-R173 PolarHBondContact O-N 2.68Å; T170-R173 VanDerWaalsContact O-N 3.15Å; T170-V174 HydrophobicContact CG2-CG2 4.41Å; T170-V174 WeakPolarHBondContact O-CG2 3.48Å; T170-V174 PolarHBondContact O-N 2.87Å; T170-E207 PolarHBondContact OG1-OE1 3Å |
| 171 | D | 85.6 | Confident | 86.6 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 53% | 0.529 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 178.6 | -63.7 | -31.1 | 0 | 0 | 0 | 111 | M167 R173 V174 R175 | M167-D171 VanDerWaalsContact O-CG 3.23Å; M167-D171 PolarHBondContact O-N 3.36Å; D171-R173 PolarHBondContact O-N 2.93Å; D171-V174 PolarHBondContact O-N 3.15Å; D171-V174 VanDerWaalsContact O-N 3.16Å; D171-R175 PolarHBondContact O-N 3.12Å |
| 172 | G | 86.2 | Confident | 86.5 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q168 T170 T176 | Q168-G172 PolarHBondContact O-N 2.85Å; Q168-G172 VanDerWaalsContact O-N 3.16Å; T170-G172 PolarHBondContact O-N 3.43Å; G172-T176 PolarHBondContact O-N 3.24Å; G172-T176 PolarHBondContact O-OG1 2.99Å |
| 173 | R | 89.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 173.9 | 179.5 | -178.6 | 57.2 | 71.7 | -3.5 | 112.1 | L169 T170 D171 M177 I200 L203 E207 F757 | L169-R173 WeakPolarHBondContact O-CB 3.18Å; L169-R173 PolarHBondContact O-N 3.08Å; L169-R173 VanDerWaalsContact O-N 3.09Å; T170-R173 WeakPolarHBondContact O-CB 3.33Å; T170-R173 PolarHBondContact O-N 2.68Å; T170-R173 VanDerWaalsContact O-N 3.15Å; D171-R173 PolarHBondContact O-N 2.93Å; R173-M177 WeakPolarHBondContact O-CB 3.42Å; R173-M177 PolarHBondContact O-N 3.48Å; R173-I200 HydrophobicContact CG-CG2 4.44Å; R173-L203 HydrophobicContact CB-CB 4.33Å; R173-L203 HydrophobicContact CB-CD1 4.37Å; R173-E207 WeakPolarHBondContact CD-OE2 3.43Å; R173-E207 IonicContact CZ-OE1 2.76Å; R173-E207 IonicContact CZ-OE2 2.64Å; R173-E207 IonicContact NE-OE1 3.15Å; R173-E207 IonicContact NE-OE2 2.79Å; R173-E207 PolarHBondContact NE-OE2 3.27Å; R173-E207 IonicContact NH2-OE1 3.23Å; R173-E207 PolarHBondContact NH2-OE1 2.86Å; R173-E207 IonicContact NH2-OE2 2.82Å; R173-F757 PolarHBondContact NH1-O 2.84Å; R173-F757 PolarHBondContact NH2-O 3.49Å |
| 174 | V | 87.8 | Confident | 87 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.8 | -39.3 | 179.7 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | T170 D171 M177 N178 L754 A758 | T170-V174 HydrophobicContact CG2-CG2 4.41Å; T170-V174 WeakPolarHBondContact O-CG2 3.48Å; T170-V174 PolarHBondContact O-N 2.87Å; D171-V174 PolarHBondContact O-N 3.15Å; D171-V174 VanDerWaalsContact O-N 3.16Å; V174-M177 PolarHBondContact O-N 2.94Å; V174-N178 PolarHBondContact O-N 3.1Å; V174-L754 HydrophobicContact CG1-CD1 3.84Å; V174-L754 HydrophobicContact CG1-CG 4.15Å; V174-A758 HydrophobicContact CG1-CB 4.04Å; V174-A758 HydrophobicContact CG2-CB 3.79Å |
| 175 | R | 85.3 | Confident | 87.2 | Confident | 132 Ų | 132 | 43 Ų | 43 | 50% | 0.498 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.3 | -54 | 169.9 | 173.6 | -179 | -88.2 | 158.8 | -8.8 | 111.4 | D171 M177 N178 E179 E1108 | D171-R175 PolarHBondContact O-N 3.12Å; R175-M177 PolarHBondContact O-N 2.81Å; R175-N178 WeakPolarHBondContact O-CA 3.33Å; R175-N178 WeakPolarHBondContact O-CB 3.45Å; R175-N178 PolarHBondContact O-N 2.93Å; R175-E179 PolarHBondContact O-N 3.14Å; R175-E1108 IonicContact CZ-OE1 3.01Å; R175-E1108 VanDerWaalsContact NE-CD 3.33Å; R175-E1108 IonicContact NE-OE1 2.86Å; R175-E1108 PolarHBondContact NE-OE1 2.88Å; R175-E1108 IonicContact NE-OE2 2.74Å; R175-E1108 IonicContact NH2-OE1 2.63Å; R175-E1108 PolarHBondContact NH2-OE1 3.32Å |
| 176 | T | 88.4 | Confident | 87.3 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -34.2 | 177.3 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | G172 I180 K199 | G172-T176 PolarHBondContact O-N 3.24Å; G172-T176 PolarHBondContact O-OG1 2.99Å; T176-I180 HydrophobicContact CG2-CD1 4Å; T176-I180 VanDerWaalsContact O-CD1 3.27Å; T176-I180 WeakPolarHBondContact O-CD1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.34Å; T176-I180 PolarHBondContact O-N 2.98Å; T176-I180 VanDerWaalsContact O-N 3.12Å; T176-K199 HydrophobicContact CG2-CD 4.25Å; T176-K199 HydrophobicContact CG2-CG 4.49Å |
| 177 | M | 88.6 | Confident | 87.6 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | 173.3 | -166.3 | 73.2 | -145.4 | 0 | 0 | 112.3 | R173 V174 R175 I180 L181 I200 I737 L754 F757 | R173-M177 WeakPolarHBondContact O-CB 3.42Å; R173-M177 PolarHBondContact O-N 3.48Å; V174-M177 PolarHBondContact O-N 2.94Å; R175-M177 PolarHBondContact O-N 2.81Å; M177-I180 HydrophobicContact CE-CG2 4.41Å; M177-I180 PolarHBondContact O-N 3.19Å; M177-L181 HydrophobicContact CE-CD1 4.29Å; M177-L181 HydrophobicContact CE-CD2 3.9Å; M177-L181 HydrophobicContact CE-CG 3.9Å; M177-L181 HydrophobicContact CG-CD1 4.21Å; M177-L181 HydrophobicContact CG-CG 4.49Å; M177-L181 WeakPolarHBondContact O-CB 3.39Å; M177-L181 VanDerWaalsContact O-CG 3.25Å; M177-L181 WeakPolarHBondContact O-CG 3.44Å; M177-L181 PolarHBondContact O-N 3.45Å; M177-I200 HydrophobicContact SD-CD1 3.92Å; M177-I737 HydrophobicContact CE-CG2 4.48Å; M177-L754 HydrophobicContact CB-CD1 4.3Å; M177-L754 HydrophobicContact CG-CD1 4.46Å; M177-F757 HydrophobicContact CE-CD2 3.99Å; M177-F757 HydrophobicContact CE-CE2 3.55Å; M177-F757 HydrophobicContact CE-CZ 4.05Å; M177-F757 HydrophobicContact CG-CB 4.29Å; M177-F757 HydrophobicContact CG-CD2 3.85Å; M177-F757 HydrophobicContact CG-CE2 4.35Å; M177-F757 HydrophobicContact CG-CG 4.05Å; M177-F757 HydrophobicContact SD-CD1 4.45Å; M177-F757 HydrophobicContact SD-CD2 3.99Å; M177-F757 HydrophobicContact SD-CE1 4.39Å; M177-F757 HydrophobicContact SD-CE2 3.91Å; M177-F757 HydrophobicContact SD-CG 4.26Å; M177-F757 HydrophobicContact SD-CZ 4.12Å |
| 178 | N | 87.7 | Confident | 88.1 | Confident | 52 Ų | 52 | 35 Ų | 35 | 28% | 0.278 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.1 | -44.9 | 176.6 | -169 | 69.1 | 0 | 0 | 0 | 111.8 | V174 R175 I180 L181 N182 L754 | V174-N178 PolarHBondContact O-N 3.1Å; R175-N178 WeakPolarHBondContact O-CA 3.33Å; R175-N178 WeakPolarHBondContact O-CB 3.45Å; R175-N178 PolarHBondContact O-N 2.93Å; N178-I180 VanDerWaalsContact C-N 3.32Å; N178-I180 PolarHBondContact O-N 2.79Å; N178-L181 PolarHBondContact O-N 3.44Å; N178-N182 VanDerWaalsContact O-CG 3.25Å; N178-N182 PolarHBondContact O-N 3.01Å; N178-N182 PolarHBondContact O-ND2 3.04Å; N178-L754 HydrophobicContact CB-CD1 3.97Å; N178-L754 HydrophobicContact CB-CD2 4.37Å |
| 179 | E | 86.9 | Confident | 88.3 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 5% | 0.051 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -52.6 | -50.9 | 170.3 | -65.6 | 166.8 | -133.8 | 0 | 0 | 110.7 | R175 L181 N182 S183 F1063 T1064 | R175-E179 PolarHBondContact O-N 3.14Å; E179-L181 VanDerWaalsContact C-N 3.35Å; E179-L181 PolarHBondContact O-N 2.93Å; E179-N182 PolarHBondContact O-N 2.96Å; E179-S183 WeakPolarHBondContact O-CB 3.38Å; E179-S183 PolarHBondContact O-N 3.2Å; E179-S183 VanDerWaalsContact O-N 3.12Å; E179-S183 PolarHBondContact O-OG 3.01Å; E179-S183 VanDerWaalsContact O-OG 3.12Å; E179-F1063 HydrophobicContact CB-CD1 4.4Å; E179-T1064 WeakPolarHBondContact OE1-CB 3.39Å; E179-T1064 PolarHBondContact OE1-OG1 2.99Å; E179-T1064 PolarHBondContact OE2-N 3.41Å; E179-T1064 PolarHBondContact OE2-OG1 3.27Å |
| 180 | I | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | -179.7 | -70.6 | 162.1 | 0 | 0 | 0 | 112.5 | T176 M177 N178 I184 I187 F196 I200 L738 | T176-I180 HydrophobicContact CG2-CD1 4Å; T176-I180 VanDerWaalsContact O-CD1 3.27Å; T176-I180 WeakPolarHBondContact O-CD1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.34Å; T176-I180 PolarHBondContact O-N 2.98Å; T176-I180 VanDerWaalsContact O-N 3.12Å; M177-I180 HydrophobicContact CE-CG2 4.41Å; M177-I180 PolarHBondContact O-N 3.19Å; N178-I180 VanDerWaalsContact C-N 3.32Å; N178-I180 PolarHBondContact O-N 2.79Å; I180-I184 HydrophobicContact CG2-CD1 4.43Å; I180-I184 WeakPolarHBondContact O-CA 3.24Å; I180-I184 WeakPolarHBondContact O-CB 3.33Å; I180-I184 PolarHBondContact O-N 3.38Å; I180-I184 VanDerWaalsContact O-N 3.12Å; I180-I187 HydrophobicContact CB-CD1 4.07Å; I180-I187 HydrophobicContact CG1-CD1 3.98Å; I180-I187 HydrophobicContact CG2-CD1 4.05Å; I180-F196 HydrophobicContact CD1-CB 3.79Å; I180-F196 HydrophobicContact CD1-CD1 3.59Å; I180-F196 HydrophobicContact CD1-CE1 4.43Å; I180-F196 HydrophobicContact CD1-CG 3.91Å; I180-F196 HydrophobicContact CG1-CB 4.27Å; I180-F196 HydrophobicContact CG1-CD1 3.63Å; I180-F196 HydrophobicContact CG1-CE1 4.06Å; I180-F196 HydrophobicContact CG1-CG 3.94Å; I180-I200 HydrophobicContact CD1-CD1 3.56Å; I180-I200 HydrophobicContact CD1-CG1 4.09Å; I180-L738 HydrophobicContact CG2-CD2 3.78Å |
| 181 | L | 87.9 | Confident | 88.7 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.8 | -37.1 | -179 | -72.7 | 171.9 | 0 | 0 | 0 | 112.6 | M177 N178 E179 S183 F745 T750 I753 L754 | M177-L181 HydrophobicContact CE-CD1 4.29Å; M177-L181 HydrophobicContact CE-CD2 3.9Å; M177-L181 HydrophobicContact CE-CG 3.9Å; M177-L181 HydrophobicContact CG-CD1 4.21Å; M177-L181 HydrophobicContact CG-CG 4.49Å; M177-L181 WeakPolarHBondContact O-CB 3.39Å; M177-L181 VanDerWaalsContact O-CG 3.25Å; M177-L181 WeakPolarHBondContact O-CG 3.44Å; M177-L181 PolarHBondContact O-N 3.45Å; N178-L181 PolarHBondContact O-N 3.44Å; E179-L181 VanDerWaalsContact C-N 3.35Å; E179-L181 PolarHBondContact O-N 2.93Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-F745 HydrophobicContact CD2-CD1 4.17Å; L181-F745 HydrophobicContact CD2-CE1 3.69Å; L181-T750 HydrophobicContact CB-CG2 4.19Å; L181-I753 HydrophobicContact CD1-CB 4Å; L181-I753 HydrophobicContact CD1-CG2 3.98Å; L181-I753 HydrophobicContact CD2-CB 4.3Å; L181-I753 HydrophobicContact CD2-CD1 4.11Å; L181-I753 HydrophobicContact CD2-CG2 3.9Å; L181-L754 HydrophobicContact CD1-CB 4.33Å; L181-L754 HydrophobicContact CD1-CD1 4.36Å |
| 182 | N | 84.6 | Confident | 89 | Confident | 93 Ų | 93 | 23.3 Ų | 23.3 | 50% | 0.497 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -68.2 | -33.8 | 176.5 | -67.2 | -13.7 | 0 | 0 | 0 | 111.7 | N178 E179 | N178-N182 VanDerWaalsContact O-CG 3.25Å; N178-N182 PolarHBondContact O-N 3.01Å; N178-N182 PolarHBondContact O-ND2 3.04Å; E179-N182 PolarHBondContact O-N 2.96Å |
| 183 | S | 88.6 | Confident | 89.2 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 6% | 0.063 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 16.8 | -172.4 | -44.2 | 0 | 0 | 0 | 0 | 113.9 | E179 L181 K185 L186 I187 V1061 | E179-S183 WeakPolarHBondContact O-CB 3.38Å; E179-S183 PolarHBondContact O-N 3.2Å; E179-S183 VanDerWaalsContact O-N 3.12Å; E179-S183 PolarHBondContact O-OG 3.01Å; E179-S183 VanDerWaalsContact O-OG 3.12Å; L181-S183 VanDerWaalsContact C-N 3.31Å; S183-K185 VanDerWaalsContact C-N 3.3Å; S183-K185 PolarHBondContact O-N 2.98Å; S183-L186 PolarHBondContact O-N 3.42Å; S183-I187 PolarHBondContact O-N 3.34Å; S183-V1061 WeakPolarHBondContact OG-CG1 3.41Å |
| 184 | I | 90.3 | Very high | 89.2 | Confident | 9 Ų | 9 | 24.9 Ų | 24.9 | 5% | 0.046 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -33.3 | -168.3 | -168.6 | 60.3 | 0 | 0 | 0 | 113.9 | I180 I187 K188 L738 M742 F745 | I180-I184 HydrophobicContact CG2-CD1 4.43Å; I180-I184 WeakPolarHBondContact O-CA 3.24Å; I180-I184 WeakPolarHBondContact O-CB 3.33Å; I180-I184 PolarHBondContact O-N 3.38Å; I180-I184 VanDerWaalsContact O-N 3.12Å; I184-I187 PolarHBondContact O-N 3.5Å; I184-K188 HydrophobicContact CD1-CG 4.44Å; I184-K188 WeakPolarHBondContact O-CB 3.29Å; I184-K188 WeakPolarHBondContact O-CG 3.33Å; I184-K188 PolarHBondContact O-N 2.81Å; I184-L738 HydrophobicContact CD1-CD2 4.18Å; I184-M742 HydrophobicContact CG2-CE 4.3Å; I184-M742 HydrophobicContact CG2-SD 4.29Å; I184-F745 HydrophobicContact CD1-CZ 4.24Å; I184-F745 HydrophobicContact CG1-CD1 4.43Å; I184-F745 HydrophobicContact CG1-CD2 4.12Å; I184-F745 HydrophobicContact CG1-CE1 4.14Å; I184-F745 HydrophobicContact CG1-CE2 3.8Å; I184-F745 HydrophobicContact CG1-CG 4.42Å; I184-F745 HydrophobicContact CG1-CZ 3.79Å; I184-F745 HydrophobicContact CG2-CB 4.25Å; I184-F745 HydrophobicContact CG2-CD1 4.17Å; I184-F745 HydrophobicContact CG2-CD2 4.32Å; I184-F745 HydrophobicContact CG2-CG 3.98Å |
| 185 | K | 89.2 | Confident | 89.3 | Confident | 64 Ų | 64 | 24.2 Ų | 24.2 | 28% | 0.278 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -54.1 | -53.6 | 172.1 | -176.7 | -165.9 | 173 | -162.6 | 0 | 110.3 | S183 K188 M189 M742 L1026 D1137 | S183-K185 VanDerWaalsContact C-N 3.3Å; S183-K185 PolarHBondContact O-N 2.98Å; K185-K188 PolarHBondContact O-N 3.4Å; K185-M189 HydrophobicContact CD-SD 4.35Å; K185-M189 HydrophobicContact CG-SD 3.84Å; K185-M189 VanDerWaalsContact O-CG 3.28Å; K185-M189 WeakPolarHBondContact O-CG 3.37Å; K185-M189 PolarHBondContact O-N 2.84Å; K185-M742 HydrophobicContact CB-CE 4.14Å; K185-M742 HydrophobicContact CB-SD 4.49Å; K185-L1026 HydrophobicContact CG-CD1 4.14Å; K185-D1137 IonicContact NZ-OD2 3.78Å; K185-D1137 PolarHBondContact NZ-OD2 3.29Å |
| 186 | L | 89.9 | Confident | 89.5 | Confident | 18 Ų | 18 | 18 Ų | 18 | 9% | 0.094 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.6 | -41.5 | -178.4 | -57.5 | -179.6 | 0 | 0 | 0 | 112 | S183 K188 M189 Y190 P1057 V1061 | S183-L186 PolarHBondContact O-N 3.42Å; L186-K188 VanDerWaalsContact C-N 3.3Å; L186-K188 PolarHBondContact O-N 3.28Å; L186-M189 HydrophobicContact CD2-SD 4.47Å; L186-M189 PolarHBondContact O-N 2.77Å; L186-Y190 HydrophobicContact CB-CD2 4.41Å; L186-Y190 HydrophobicContact CB-CE2 4.25Å; L186-Y190 WeakPolarHBondContact O-CD2 3.28Å; L186-Y190 PolarHBondContact O-N 3.17Å; L186-P1057 HydrophobicContact CD1-CB 4.37Å; L186-P1057 HydrophobicContact CD1-CG 4.17Å; L186-P1057 HydrophobicContact CD2-CB 3.73Å; L186-P1057 HydrophobicContact CD2-CG 4.14Å; L186-V1061 HydrophobicContact CD1-CB 3.96Å; L186-V1061 HydrophobicContact CD1-CG2 3.68Å |
| 187 | I | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 178.2 | -66.1 | 174.2 | 0 | 0 | 0 | 111.1 | I180 S183 I184 A191 W192 E193 F196 F1063 | I180-I187 HydrophobicContact CB-CD1 4.07Å; I180-I187 HydrophobicContact CG1-CD1 3.98Å; I180-I187 HydrophobicContact CG2-CD1 4.05Å; S183-I187 PolarHBondContact O-N 3.34Å; I184-I187 PolarHBondContact O-N 3.5Å; I187-A191 PolarHBondContact O-N 3.23Å; I187-W192 HydrophobicContact CG2-CB 4.1Å; I187-W192 PolarHBondContact O-N 3.11Å; I187-E193 HydrophobicContact CG2-CG 4.24Å; I187-F196 HydrophobicContact CD1-CD2 4.04Å; I187-F196 HydrophobicContact CD1-CE2 3.81Å; I187-F196 HydrophobicContact CD1-CZ 4.23Å; I187-F196 HydrophobicContact CG1-CD2 4.31Å; I187-F196 HydrophobicContact CG1-CE2 3.9Å; I187-F196 HydrophobicContact CG2-CD2 3.84Å; I187-F196 HydrophobicContact CG2-CE2 4.2Å; I187-F1063 HydrophobicContact CD1-CE1 3.8Å; I187-F1063 HydrophobicContact CD1-CZ 3.91Å; I187-F1063 HydrophobicContact CG1-CE1 4.09Å; I187-F1063 HydrophobicContact CG1-CZ 3.65Å |
| 188 | K | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.1 | -46.2 | 172.6 | -76.2 | -175.9 | 179.5 | -68.8 | 0 | 112 | I184 K185 L186 Y190 A191 L738 S740 M742 E956 L1026 R1050 | I184-K188 HydrophobicContact CD1-CG 4.44Å; I184-K188 WeakPolarHBondContact O-CB 3.29Å; I184-K188 WeakPolarHBondContact O-CG 3.33Å; I184-K188 PolarHBondContact O-N 2.81Å; K185-K188 PolarHBondContact O-N 3.4Å; L186-K188 VanDerWaalsContact C-N 3.3Å; L186-K188 PolarHBondContact O-N 3.28Å; K188-Y190 VanDerWaalsContact C-N 3.29Å; K188-Y190 PolarHBondContact O-N 2.73Å; K188-A191 PolarHBondContact O-N 3.45Å; K188-L738 PolarHBondContact NZ-O 3.48Å; K188-S740 WeakPolarHBondContact CE-O 3.45Å; K188-S740 PolarHBondContact NZ-O 3.27Å; K188-M742 HydrophobicContact CD-CG 4.34Å; K188-M742 HydrophobicContact CD-SD 3.98Å; K188-E956 IonicContact NZ-OE2 2.76Å; K188-E956 PolarHBondContact NZ-OE2 2.89Å; K188-L1026 HydrophobicContact CB-CD2 3.65Å; K188-L1026 HydrophobicContact CD-CD2 4.17Å; K188-R1050 WeakPolarHBondContact O-CD 3.49Å |
| 189 | M | 90.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.7 | -38.5 | 178.1 | -74.6 | 168.2 | 136.9 | 0 | 0 | 112.5 | K185 L186 A191 F1024 L1026 I1055 | K185-M189 HydrophobicContact CD-SD 4.35Å; K185-M189 HydrophobicContact CG-SD 3.84Å; K185-M189 VanDerWaalsContact O-CG 3.28Å; K185-M189 WeakPolarHBondContact O-CG 3.37Å; K185-M189 PolarHBondContact O-N 2.84Å; L186-M189 HydrophobicContact CD2-SD 4.47Å; L186-M189 PolarHBondContact O-N 2.77Å; M189-A191 VanDerWaalsContact C-N 3.34Å; M189-F1024 HydrophobicContact CB-CD1 3.79Å; M189-F1024 HydrophobicContact CB-CE1 4.02Å; M189-F1024 HydrophobicContact CB-CG 4.37Å; M189-F1024 HydrophobicContact CE-CB 4.24Å; M189-F1024 HydrophobicContact CE-CD2 3.97Å; M189-F1024 HydrophobicContact CE-CG 4.11Å; M189-F1024 HydrophobicContact CG-CB 4.11Å; M189-F1024 HydrophobicContact CG-CD1 3.85Å; M189-F1024 HydrophobicContact CG-CE1 4.43Å; M189-F1024 HydrophobicContact CG-CG 3.92Å; M189-F1024 WeakPolarHBondContact O-CE1 3.3Å; M189-L1026 HydrophobicContact CE-CD1 3.86Å; M189-L1026 HydrophobicContact CG-CD1 3.86Å; M189-L1026 HydrophobicContact CG-CD2 4.39Å; M189-L1026 HydrophobicContact CG-CG 4.39Å; M189-L1026 HydrophobicContact SD-CD1 4.15Å; M189-I1055 HydrophobicContact CB-CG2 4.04Å; M189-I1055 HydrophobicContact CE-CD1 3.69Å; M189-I1055 HydrophobicContact SD-CD1 3.61Å; M189-I1055 HydrophobicContact SD-CG2 4.48Å |
| 190 | Y | 90.6 | Very high | 89.7 | Confident | 5 Ų | 5 | 23.2 Ų | 23.2 | 2% | 0.02 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.5 | 173.2 | -61.9 | -50.2 | 0 | 0 | 0 | 114.2 | L186 K188 W192 I1055 R1129 | L186-Y190 HydrophobicContact CB-CD2 4.41Å; L186-Y190 HydrophobicContact CB-CE2 4.25Å; L186-Y190 WeakPolarHBondContact O-CD2 3.28Å; L186-Y190 PolarHBondContact O-N 3.17Å; K188-Y190 VanDerWaalsContact C-N 3.29Å; K188-Y190 PolarHBondContact O-N 2.73Å; Y190-W192 HydrophobicContact CD2-CD2 4.33Å; Y190-W192 HydrophobicContact CD2-CE3 4.23Å; Y190-W192 HydrophobicContact CD2-CZ3 4.34Å; Y190-W192 HydrophobicContact CG-CD2 4.37Å; Y190-W192 PolarHBondContact O-N 3.2Å; Y190-I1055 HydrophobicContact CD1-CG2 4.15Å; Y190-I1055 HydrophobicContact CE1-CG2 3.54Å; Y190-I1055 WeakPolarHBondContact CE1-O 3.35Å; Y190-I1055 PolarHBondContact OH-O 3.03Å; Y190-R1129 PolarHBondContact O-NH2 2.84Å |
| 191 | A | 91.5 | Very high | 89.5 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 6% | 0.058 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 37.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I187 K188 M189 E193 R1047 R1050 | I187-A191 PolarHBondContact O-N 3.23Å; K188-A191 PolarHBondContact O-N 3.45Å; M189-A191 VanDerWaalsContact C-N 3.34Å; A191-E193 VanDerWaalsContact CA-OE2 3.25Å; A191-E193 WeakPolarHBondContact CA-OE2 3.38Å; A191-R1047 HydrophobicContact CB-CG 4.25Å; A191-R1050 HydrophobicContact CB-CB 4.06Å |
| 192 | W | 91.4 | Very high | 89.6 | Confident | 10 Ų | 10 | 26.4 Ų | 26.4 | 4% | 0.038 | 14% | 0.142 | C | C | . | . | trans | -87.2 | 1.3 | -175 | -77.4 | 1.3 | 0 | 0 | 0 | 113.9 | I187 Y190 E194 S195 F196 F1063 P1073 F1074 R1125 | I187-W192 HydrophobicContact CG2-CB 4.1Å; I187-W192 PolarHBondContact O-N 3.11Å; Y190-W192 HydrophobicContact CD2-CD2 4.33Å; Y190-W192 HydrophobicContact CD2-CE3 4.23Å; Y190-W192 HydrophobicContact CD2-CZ3 4.34Å; Y190-W192 HydrophobicContact CG-CD2 4.37Å; Y190-W192 PolarHBondContact O-N 3.2Å; W192-E194 VanDerWaalsContact C-N 3.25Å; W192-E194 PolarHBondContact O-N 2.78Å; W192-E194 VanDerWaalsContact O-N 3.17Å; W192-S195 PolarHBondContact O-N 3.26Å; W192-S195 VanDerWaalsContact O-N 3.11Å; W192-F196 HydrophobicContact CB-CD2 4.14Å; W192-F196 HydrophobicContact CB-CE2 4.12Å; W192-F196 HydrophobicContact CE3-CE2 4.21Å; W192-F196 WeakPolarHBondContact O-CD2 3.44Å; W192-F196 PolarHBondContact O-N 3.25Å; W192-F1063 HydrophobicContact CE3-CE2 4.04Å; W192-F1063 HydrophobicContact CZ3-CD2 4.08Å; W192-F1063 AromaticContact CZ3-CE2 3.79Å; W192-F1063 HydrophobicContact CZ3-CE2 3.79Å; W192-P1073 HydrophobicContact CD2-CG 3.66Å; W192-P1073 HydrophobicContact CE3-CG 4.15Å; W192-P1073 HydrophobicContact CG-CG 4.05Å; W192-P1073 HydrophobicContact CH2-CG 4.13Å; W192-P1073 HydrophobicContact CZ2-CG 3.64Å; W192-P1073 HydrophobicContact CZ3-CG 4.36Å; W192-F1074 AromaticContact CD1-CE2 3.7Å; W192-R1125 HydrophobicContact CH2-CG 4.48Å | ||
| 193 | E | 90.7 | Very high | 89.7 | Confident | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.056 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.1 | -32.9 | -173.1 | -48.7 | 96 | 132.8 | 0 | 0 | 112.9 | I187 A191 E197 L738 | I187-E193 HydrophobicContact CG2-CG 4.24Å; A191-E193 VanDerWaalsContact CA-OE2 3.25Å; A191-E193 WeakPolarHBondContact CA-OE2 3.38Å; E193-E197 WeakPolarHBondContact O-CB 3.42Å; E193-E197 PolarHBondContact O-N 3.32Å; E193-L738 HydrophobicContact CB-CB 4.43Å |
| 194 | E | 88.7 | Confident | 89.6 | Confident | 53 Ų | 53 | 23.7 Ų | 23.7 | 25% | 0.248 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70 | -34.6 | 179.9 | -155.2 | -157.8 | 140 | 0 | 0 | 112.3 | W192 K198 R1047 | W192-E194 VanDerWaalsContact C-N 3.25Å; W192-E194 PolarHBondContact O-N 2.78Å; W192-E194 VanDerWaalsContact O-N 3.17Å; E194-K198 VanDerWaalsContact O-CG 3.28Å; E194-K198 WeakPolarHBondContact O-CG 3.15Å; E194-K198 PolarHBondContact O-N 3.06Å; E194-K198 VanDerWaalsContact O-N 3.11Å; E194-K198 WeakPolarHBondContact OE1-CE 3.42Å; E194-K198 IonicContact OE1-NZ 3.73Å; E194-K198 PolarHBondContact OE1-NZ 2.94Å; E194-R1047 IonicContact OE2-CZ 3.84Å; E194-R1047 IonicContact OE2-NH1 3.84Å; E194-R1047 PolarHBondContact OE2-NH1 3.18Å; E194-R1047 IonicContact OE2-NH2 2.66Å; E194-R1047 PolarHBondContact OE2-NH2 3.11Å |
| 195 | S | 90.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.7 | -43.1 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | W192 K198 K199 P1073 | W192-S195 PolarHBondContact O-N 3.26Å; W192-S195 VanDerWaalsContact O-N 3.11Å; S195-K198 WeakPolarHBondContact O-CB 3.25Å; S195-K198 PolarHBondContact O-N 2.94Å; S195-K199 PolarHBondContact O-N 3.01Å; S195-P1073 WeakPolarHBondContact CB-O 3.42Å; S195-P1073 PolarHBondContact OG-O 2.67Å |
| 196 | F | 89.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.9 | -36.1 | 174.7 | -75.3 | -70.9 | 0 | 0 | 0 | 113.3 | I180 I187 W192 K198 K199 I200 F1063 Y1069 | I180-F196 HydrophobicContact CD1-CB 3.79Å; I180-F196 HydrophobicContact CD1-CD1 3.59Å; I180-F196 HydrophobicContact CD1-CE1 4.43Å; I180-F196 HydrophobicContact CD1-CG 3.91Å; I180-F196 HydrophobicContact CG1-CB 4.27Å; I180-F196 HydrophobicContact CG1-CD1 3.63Å; I180-F196 HydrophobicContact CG1-CE1 4.06Å; I180-F196 HydrophobicContact CG1-CG 3.94Å; I187-F196 HydrophobicContact CD1-CD2 4.04Å; I187-F196 HydrophobicContact CD1-CE2 3.81Å; I187-F196 HydrophobicContact CD1-CZ 4.23Å; I187-F196 HydrophobicContact CG1-CD2 4.31Å; I187-F196 HydrophobicContact CG1-CE2 3.9Å; I187-F196 HydrophobicContact CG2-CD2 3.84Å; I187-F196 HydrophobicContact CG2-CE2 4.2Å; W192-F196 HydrophobicContact CB-CD2 4.14Å; W192-F196 HydrophobicContact CB-CE2 4.12Å; W192-F196 HydrophobicContact CE3-CE2 4.21Å; W192-F196 WeakPolarHBondContact O-CD2 3.44Å; W192-F196 PolarHBondContact O-N 3.25Å; F196-K198 VanDerWaalsContact C-N 3.32Å; F196-K198 PolarHBondContact O-N 3.45Å; F196-K199 HydrophobicContact CD1-CD 4.29Å; F196-K199 HydrophobicContact CE1-CD 4.47Å; F196-K199 PolarHBondContact O-N 2.96Å; F196-I200 WeakPolarHBondContact O-CB 3.44Å; F196-I200 WeakPolarHBondContact O-CG1 3.31Å; F196-I200 PolarHBondContact O-N 3.45Å; F196-F1063 HydrophobicContact CE1-CD1 4.27Å; F196-F1063 HydrophobicContact CE1-CG 4.38Å; F196-F1063 HydrophobicContact CE2-CZ 4.5Å; F196-F1063 HydrophobicContact CZ-CB 4.34Å; F196-F1063 AromaticContact CZ-CD1 3.78Å; F196-F1063 HydrophobicContact CZ-CD1 3.78Å; F196-F1063 AromaticContact CZ-CD2 3.95Å; F196-F1063 HydrophobicContact CZ-CD2 3.95Å; F196-F1063 HydrophobicContact CZ-CE1 4.02Å; F196-F1063 HydrophobicContact CZ-CE2 4.17Å; F196-F1063 AromaticContact CZ-CG 3.74Å; F196-F1063 HydrophobicContact CZ-CG 3.74Å; F196-F1063 HydrophobicContact CZ-CZ 4.21Å; F196-Y1069 HydrophobicContact CE1-CE1 4.38Å; F196-Y1069 HydrophobicContact CZ-CE1 4.49Å |
| 197 | E | 88.6 | Confident | 89.3 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 170.8 | -168 | -164.8 | 136.1 | 0 | 0 | 110.6 | E193 A201 R731 L738 | E193-E197 WeakPolarHBondContact O-CB 3.42Å; E193-E197 PolarHBondContact O-N 3.32Å; E197-A201 WeakPolarHBondContact O-CB 3.45Å; E197-A201 PolarHBondContact O-N 3.21Å; E197-R731 IonicContact OE1-CZ 2.7Å; E197-R731 VanDerWaalsContact OE1-CZ 3.25Å; E197-R731 IonicContact OE1-NE 3.34Å; E197-R731 PolarHBondContact OE1-NE 2.78Å; E197-R731 IonicContact OE1-NH2 2.71Å; E197-R731 PolarHBondContact OE1-NH2 3.07Å; E197-L738 HydrophobicContact CB-CD1 4.14Å |
| 198 | K | 88.6 | Confident | 88.9 | Confident | 121 Ų | 121 | 35.3 Ų | 35.3 | 53% | 0.526 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.5 | -71.5 | 167.8 | -173.2 | 170.2 | 0 | 112.1 | E194 S195 F196 A201 G202 | E194-K198 VanDerWaalsContact O-CG 3.28Å; E194-K198 WeakPolarHBondContact O-CG 3.15Å; E194-K198 PolarHBondContact O-N 3.06Å; E194-K198 VanDerWaalsContact O-N 3.11Å; E194-K198 WeakPolarHBondContact OE1-CE 3.42Å; E194-K198 IonicContact OE1-NZ 3.73Å; E194-K198 PolarHBondContact OE1-NZ 2.94Å; S195-K198 WeakPolarHBondContact O-CB 3.25Å; S195-K198 PolarHBondContact O-N 2.94Å; F196-K198 VanDerWaalsContact C-N 3.32Å; F196-K198 PolarHBondContact O-N 3.45Å; K198-A201 PolarHBondContact O-N 2.85Å; K198-G202 PolarHBondContact O-N 3.45Å |
| 199 | K | 88.5 | Confident | 88.6 | Confident | 49 Ų | 49 | 42.7 Ų | 42.7 | 21% | 0.213 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.1 | -50.9 | 176.9 | -170.4 | 171 | 177.4 | 179.8 | 0 | 111.2 | T176 S195 F196 G202 L203 T1064 Y1069 | T176-K199 HydrophobicContact CG2-CD 4.25Å; T176-K199 HydrophobicContact CG2-CG 4.49Å; S195-K199 PolarHBondContact O-N 3.01Å; F196-K199 HydrophobicContact CD1-CD 4.29Å; F196-K199 HydrophobicContact CE1-CD 4.47Å; F196-K199 PolarHBondContact O-N 2.96Å; K199-G202 PolarHBondContact O-N 2.83Å; K199-L203 WeakPolarHBondContact O-CG 3.38Å; K199-L203 PolarHBondContact O-N 3.35Å; K199-T1064 PolarHBondContact NZ-O 3.48Å; K199-Y1069 HydrophobicContact CD-CE1 4.21Å; K199-Y1069 HydrophobicContact CD-CE2 4.49Å; K199-Y1069 WeakPolarHBondContact CD-OH 3.23Å; K199-Y1069 VanDerWaalsContact NZ-CE1 3.34Å |
| 200 | I | 89.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.5 | -66.7 | 166.7 | 0 | 0 | 0 | 111 | R173 M177 I180 F196 G202 L203 R204 H730 | R173-I200 HydrophobicContact CG-CG2 4.44Å; M177-I200 HydrophobicContact SD-CD1 3.92Å; I180-I200 HydrophobicContact CD1-CD1 3.56Å; I180-I200 HydrophobicContact CD1-CG1 4.09Å; F196-I200 WeakPolarHBondContact O-CB 3.44Å; F196-I200 WeakPolarHBondContact O-CG1 3.31Å; F196-I200 PolarHBondContact O-N 3.45Å; I200-G202 VanDerWaalsContact C-N 3.29Å; I200-G202 PolarHBondContact O-N 3.23Å; I200-L203 PolarHBondContact O-N 2.64Å; I200-R204 WeakPolarHBondContact O-CB 3.28Å; I200-R204 PolarHBondContact O-N 2.9Å; I200-H730 WeakPolarHBondContact CG2-NE2 3.33Å |
| 201 | A | 86.9 | Confident | 87.9 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -36.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E197 K198 K205 | E197-A201 WeakPolarHBondContact O-CB 3.45Å; E197-A201 PolarHBondContact O-N 3.21Å; K198-A201 PolarHBondContact O-N 2.85Å; A201-K205 VanDerWaalsContact O-CB 3.28Å; A201-K205 WeakPolarHBondContact O-CB 3.36Å; A201-K205 PolarHBondContact O-N 3.39Å |
| 202 | G | 88.4 | Confident | 87.4 | Confident | 33 Ų | 33 | 49.1 Ų | 49.1 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.6 | -48.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K198 K199 I200 K205 K206 | K198-G202 PolarHBondContact O-N 3.45Å; K199-G202 PolarHBondContact O-N 2.83Å; I200-G202 VanDerWaalsContact C-N 3.29Å; I200-G202 PolarHBondContact O-N 3.23Å; G202-K205 PolarHBondContact O-N 2.97Å; G202-K206 PolarHBondContact O-N 3.12Å |
| 203 | L | 88.6 | Confident | 87 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -49.1 | 174.4 | -68 | 175.2 | 0 | 0 | 0 | 111.4 | R173 K199 I200 K205 K206 E207 | R173-L203 HydrophobicContact CB-CB 4.33Å; R173-L203 HydrophobicContact CB-CD1 4.37Å; K199-L203 WeakPolarHBondContact O-CG 3.38Å; K199-L203 PolarHBondContact O-N 3.35Å; I200-L203 PolarHBondContact O-N 2.64Å; L203-K205 VanDerWaalsContact C-N 3.25Å; L203-K205 PolarHBondContact O-N 2.85Å; L203-K206 WeakPolarHBondContact O-CA 3.29Å; L203-K206 WeakPolarHBondContact O-CB 3.45Å; L203-K206 PolarHBondContact O-N 3.07Å; L203-E207 PolarHBondContact O-N 3.25Å |
| 204 | R | 86.3 | Confident | 86.6 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -28.5 | 179.1 | -168.9 | 61.7 | 164.7 | 142.8 | 13.7 | 112.8 | I200 E207 K208 H730 D765 | I200-R204 WeakPolarHBondContact O-CB 3.28Å; I200-R204 PolarHBondContact O-N 2.9Å; R204-E207 WeakPolarHBondContact CD-OE2 3.45Å; R204-E207 IonicContact CZ-OE1 3.51Å; R204-E207 IonicContact NE-OE2 2.69Å; R204-E207 VanDerWaalsContact NH1-CD 3.31Å; R204-E207 IonicContact NH1-OE1 2.66Å; R204-E207 PolarHBondContact NH1-OE1 3.16Å; R204-E207 IonicContact NH1-OE2 3.37Å; R204-K208 HydrophobicContact CG-CD 4.28Å; R204-K208 WeakPolarHBondContact O-CB 3.44Å; R204-K208 VanDerWaalsContact O-CG 3.3Å; R204-K208 WeakPolarHBondContact O-CG 3.14Å; R204-K208 PolarHBondContact O-N 2.79Å; R204-H730 PolarHBondContact NE-CD2 3.32Å; R204-D765 IonicContact CZ-OD2 3.24Å; R204-D765 IonicContact NH1-OD2 3.09Å; R204-D765 PolarHBondContact NH1-OD2 3.44Å; R204-D765 IonicContact NH2-OD1 3.59Å; R204-D765 PolarHBondContact NH2-OD1 3.15Å; R204-D765 IonicContact NH2-OD2 3.31Å; R204-D765 PolarHBondContact NH2-OD2 3.17Å |
| 205 | K | 87.1 | Confident | 86 | Confident | 170 Ų | 170 | 50 Ų | 50 | 74% | 0.739 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.7 | -37.1 | 171.7 | -174.1 | -179.4 | 179.9 | -176.6 | 0 | 111.9 | A201 G202 L203 K209 | A201-K205 VanDerWaalsContact O-CB 3.28Å; A201-K205 WeakPolarHBondContact O-CB 3.36Å; A201-K205 PolarHBondContact O-N 3.39Å; G202-K205 PolarHBondContact O-N 2.97Å; L203-K205 VanDerWaalsContact C-N 3.25Å; L203-K205 PolarHBondContact O-N 2.85Å; K205-K209 PolarHBondContact O-N 3.23Å |
| 206 | K | 89.1 | Confident | 85.4 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 56% | 0.561 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -68.7 | -47.8 | 172.3 | -64.3 | 175.2 | -178.7 | 178.9 | 0 | 110.9 | L169 G202 L203 K209 Q210 | L169-K206 HydrophobicContact CD1-CB 4.08Å; L169-K206 HydrophobicContact CD2-CB 4.34Å; G202-K206 PolarHBondContact O-N 3.12Å; L203-K206 WeakPolarHBondContact O-CA 3.29Å; L203-K206 WeakPolarHBondContact O-CB 3.45Å; L203-K206 PolarHBondContact O-N 3.07Å; K206-K209 WeakPolarHBondContact O-CB 3.11Å; K206-K209 PolarHBondContact O-N 2.86Å; K206-Q210 PolarHBondContact O-N 2.98Å |
| 207 | E | 86.9 | Confident | 85 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.3 | -55.6 | 177.5 | -173.4 | -173.8 | 169.4 | 0 | 0 | 111.5 | L169 T170 R173 L203 R204 K209 Q210 V211 | L169-E207 HydrophobicContact CB-CB 4.2Å; T170-E207 PolarHBondContact OG1-OE1 3Å; R173-E207 WeakPolarHBondContact CD-OE2 3.43Å; R173-E207 IonicContact CZ-OE1 2.76Å; R173-E207 IonicContact CZ-OE2 2.64Å; R173-E207 IonicContact NE-OE1 3.15Å; R173-E207 IonicContact NE-OE2 2.79Å; R173-E207 PolarHBondContact NE-OE2 3.27Å; R173-E207 IonicContact NH2-OE1 3.23Å; R173-E207 PolarHBondContact NH2-OE1 2.86Å; R173-E207 IonicContact NH2-OE2 2.82Å; L203-E207 PolarHBondContact O-N 3.25Å; R204-E207 WeakPolarHBondContact CD-OE2 3.45Å; R204-E207 IonicContact CZ-OE1 3.51Å; R204-E207 IonicContact NE-OE2 2.69Å; R204-E207 VanDerWaalsContact NH1-CD 3.31Å; R204-E207 IonicContact NH1-OE1 2.66Å; R204-E207 PolarHBondContact NH1-OE1 3.16Å; R204-E207 IonicContact NH1-OE2 3.37Å; E207-K209 PolarHBondContact O-N 3.22Å; E207-K209 VanDerWaalsContact O-N 3.16Å; E207-Q210 PolarHBondContact O-N 3.3Å; E207-V211 PolarHBondContact O-N 2.7Å |
| 208 | K | 82.9 | Confident | 84.6 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -26 | 178.9 | -73.6 | 175.9 | -178.6 | 175.6 | 0 | 113.9 | R204 R212 Q726 | R204-K208 HydrophobicContact CG-CD 4.28Å; R204-K208 WeakPolarHBondContact O-CB 3.44Å; R204-K208 VanDerWaalsContact O-CG 3.3Å; R204-K208 WeakPolarHBondContact O-CG 3.14Å; R204-K208 PolarHBondContact O-N 2.79Å; K208-R212 VanDerWaalsContact O-CB 3.31Å; K208-R212 WeakPolarHBondContact O-CB 3.33Å; K208-R212 PolarHBondContact O-N 3.5Å; K208-R212 VanDerWaalsContact O-N 3.08Å; K208-Q726 HydrophobicContact CD-CB 4.44Å; K208-Q726 WeakPolarHBondContact CE-O 3.39Å; K208-Q726 PolarHBondContact NZ-O 2.82Å |
| 209 | K | 85.5 | Confident | 84 | Confident | 156 Ų | 156 | 51.8 Ų | 51.8 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | 173.5 | -172 | -179.6 | 178 | -178.6 | 0 | 111.3 | K205 K206 E207 L213 | K205-K209 PolarHBondContact O-N 3.23Å; K206-K209 WeakPolarHBondContact O-CB 3.11Å; K206-K209 PolarHBondContact O-N 2.86Å; E207-K209 PolarHBondContact O-N 3.22Å; E207-K209 VanDerWaalsContact O-N 3.16Å; K209-L213 PolarHBondContact O-N 2.94Å |
| 210 | Q | 85.6 | Confident | 83.5 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.1 | -45.5 | 176.4 | -56.8 | -58.1 | -22 | 0 | 0 | 111.5 | A166 L169 K206 E207 R212 L213 V214 | A166-Q210 HydrophobicContact CB-CB 3.83Å; L169-Q210 HydrophobicContact CD1-CG 3.75Å; K206-Q210 PolarHBondContact O-N 2.98Å; E207-Q210 PolarHBondContact O-N 3.3Å; Q210-R212 VanDerWaalsContact C-N 3.34Å; Q210-R212 PolarHBondContact O-N 3.22Å; Q210-L213 WeakPolarHBondContact O-CB 3.27Å; Q210-L213 PolarHBondContact O-N 3.11Å; Q210-L213 VanDerWaalsContact O-N 3.08Å; Q210-V214 WeakPolarHBondContact O-CG2 3.47Å; Q210-V214 PolarHBondContact O-N 3.04Å |
| 211 | V | 81.6 | Confident | 83.2 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 13% | 0.127 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 178.7 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | A166 E207 L213 V214 S215 | A166-V211 HydrophobicContact CB-CG2 4.04Å; E207-V211 PolarHBondContact O-N 2.7Å; V211-L213 VanDerWaalsContact C-N 3.31Å; V211-L213 PolarHBondContact O-N 3.07Å; V211-V214 WeakPolarHBondContact O-CB 3.44Å; V211-V214 PolarHBondContact O-N 2.96Å; V211-S215 PolarHBondContact O-N 3.48Å; V211-S215 PolarHBondContact O-OG 2.96Å |
| 212 | R | 80.5 | Confident | 82.7 | Confident | 83 Ų | 83 | 56 Ų | 56 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59 | -40 | 175.4 | -174.5 | -176.1 | -58.4 | 161.8 | 3.7 | 113.1 | K208 Q210 S215 Y216 L722 | K208-R212 VanDerWaalsContact O-CB 3.31Å; K208-R212 WeakPolarHBondContact O-CB 3.33Å; K208-R212 PolarHBondContact O-N 3.5Å; K208-R212 VanDerWaalsContact O-N 3.08Å; Q210-R212 VanDerWaalsContact C-N 3.34Å; Q210-R212 PolarHBondContact O-N 3.22Å; R212-S215 PolarHBondContact O-N 3.31Å; R212-Y216 HydrophobicContact CG-CD2 4.19Å; R212-Y216 HydrophobicContact CG-CE1 4.22Å; R212-Y216 HydrophobicContact CG-CE2 3.73Å; R212-Y216 PolarHBondContact O-N 2.6Å; R212-L722 HydrophobicContact CB-CD2 4.39Å; R212-L722 HydrophobicContact CG-CD2 4.09Å |
| 213 | L | 83.8 | Confident | 82.1 | Confident | 63 Ų | 63 | 55 Ų | 55 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 178.5 | -178 | 57.7 | 0 | 0 | 0 | 111.4 | F162 K209 Q210 V211 Y216 I217 | F162-L213 HydrophobicContact CD1-CD2 3.72Å; F162-L213 HydrophobicContact CD2-CD2 4.05Å; F162-L213 HydrophobicContact CD2-CG 4.21Å; F162-L213 HydrophobicContact CE1-CD2 3.54Å; F162-L213 HydrophobicContact CE2-CD2 3.87Å; F162-L213 HydrophobicContact CE2-CG 4.32Å; F162-L213 HydrophobicContact CG-CD2 3.98Å; F162-L213 HydrophobicContact CG-CG 4.32Å; F162-L213 HydrophobicContact CZ-CD2 3.63Å; K209-L213 PolarHBondContact O-N 2.94Å; Q210-L213 WeakPolarHBondContact O-CB 3.27Å; Q210-L213 PolarHBondContact O-N 3.11Å; Q210-L213 VanDerWaalsContact O-N 3.08Å; V211-L213 VanDerWaalsContact C-N 3.31Å; V211-L213 PolarHBondContact O-N 3.07Å; L213-Y216 PolarHBondContact O-N 2.78Å; L213-I217 HydrophobicContact CD1-CD1 4.02Å; L213-I217 HydrophobicContact CD1-CG1 4.37Å; L213-I217 HydrophobicContact CG-CD1 3.99Å; L213-I217 WeakPolarHBondContact O-CD1 3.45Å; L213-I217 VanDerWaalsContact O-CG1 3.26Å; L213-I217 WeakPolarHBondContact O-CG1 3.45Å; L213-I217 PolarHBondContact O-N 3.44Å; L213-I217 VanDerWaalsContact O-N 3.13Å |
| 214 | V | 82.2 | Confident | 81.5 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.3 | -50.8 | 171.4 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | I159 F162 R163 Q210 V211 Y216 I217 Q218 | I159-V214 HydrophobicContact CG2-CG1 4.22Å; F162-V214 HydrophobicContact CB-CG2 3.58Å; R163-V214 HydrophobicContact CB-CG1 4.47Å; R163-V214 HydrophobicContact CB-CG2 4.18Å; Q210-V214 WeakPolarHBondContact O-CG2 3.47Å; Q210-V214 PolarHBondContact O-N 3.04Å; V211-V214 WeakPolarHBondContact O-CB 3.44Å; V211-V214 PolarHBondContact O-N 2.96Å; V214-Y216 PolarHBondContact O-N 3.2Å; V214-I217 PolarHBondContact O-N 3.16Å; V214-Q218 WeakPolarHBondContact O-CB 3.24Å; V214-Q218 PolarHBondContact O-N 3.08Å |
| 215 | S | 75.7 | Confident | 81.1 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 180 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | V211 R212 Q218 N219 | V211-S215 PolarHBondContact O-N 3.48Å; V211-S215 PolarHBondContact O-OG 2.96Å; R212-S215 PolarHBondContact O-N 3.31Å; S215-Q218 PolarHBondContact O-N 3.08Å; S215-N219 WeakPolarHBondContact O-CB 3.23Å; S215-N219 PolarHBondContact O-N 3.41Å; S215-N219 PolarHBondContact O-OD1 3.15Å |
| 216 | Y | 78.8 | Confident | 80.5 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.5 | -70.6 | -26.6 | 0 | 0 | 0 | 112.2 | R212 L213 V214 Q218 N219 I220 | R212-Y216 HydrophobicContact CG-CD2 4.19Å; R212-Y216 HydrophobicContact CG-CE1 4.22Å; R212-Y216 HydrophobicContact CG-CE2 3.73Å; R212-Y216 PolarHBondContact O-N 2.6Å; L213-Y216 PolarHBondContact O-N 2.78Å; V214-Y216 PolarHBondContact O-N 3.2Å; Y216-Q218 VanDerWaalsContact C-N 3.33Å; Y216-Q218 PolarHBondContact O-N 2.78Å; Y216-N219 PolarHBondContact O-N 2.89Å; Y216-I220 VanDerWaalsContact O-CG1 3.31Å; Y216-I220 WeakPolarHBondContact O-CG1 3.47Å; Y216-I220 PolarHBondContact O-N 3.17Å |
| 217 | I | 79.8 | Confident | 79.9 | Confident | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.7 | -36.9 | 178.9 | -57.2 | 159.3 | 0 | 0 | 0 | 110.4 | L155 L158 I159 F162 L213 V214 I220 N221 | L155-I217 HydrophobicContact CB-CG2 4.4Å; L155-I217 HydrophobicContact CD2-CG2 3.93Å; L158-I217 HydrophobicContact CB-CG2 4.44Å; L158-I217 HydrophobicContact CD2-CD1 3.86Å; L158-I217 HydrophobicContact CD2-CG1 4.39Å; L158-I217 HydrophobicContact CD2-CG2 4.26Å; L158-I217 HydrophobicContact CG-CD1 3.97Å; I159-I217 HydrophobicContact CD1-CG2 4.22Å; I159-I217 HydrophobicContact CG1-CB 3.99Å; I159-I217 HydrophobicContact CG1-CG2 3.64Å; F162-I217 HydrophobicContact CD2-CD1 3.56Å; F162-I217 HydrophobicContact CE2-CD1 3.87Å; L213-I217 HydrophobicContact CD1-CD1 4.02Å; L213-I217 HydrophobicContact CD1-CG1 4.37Å; L213-I217 HydrophobicContact CG-CD1 3.99Å; L213-I217 WeakPolarHBondContact O-CD1 3.45Å; L213-I217 VanDerWaalsContact O-CG1 3.26Å; L213-I217 WeakPolarHBondContact O-CG1 3.45Å; L213-I217 PolarHBondContact O-N 3.44Å; L213-I217 VanDerWaalsContact O-N 3.13Å; V214-I217 PolarHBondContact O-N 3.16Å; I217-I220 PolarHBondContact O-N 3.14Å; I217-N221 WeakPolarHBondContact O-CB 3Å; I217-N221 PolarHBondContact O-N 3.13Å |
| 218 | Q | 80.1 | Confident | 79.7 | Confident | 50 Ų | 50 | 44.1 Ų | 44.1 | 23% | 0.234 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 174.9 | -175 | 171.9 | -40.7 | 0 | 0 | 112 | I159 V214 S215 Y216 I220 N221 T222 | I159-Q218 HydrophobicContact CD1-CB 4.04Å; I159-Q218 HydrophobicContact CG1-CB 4.47Å; V214-Q218 WeakPolarHBondContact O-CB 3.24Å; V214-Q218 PolarHBondContact O-N 3.08Å; S215-Q218 PolarHBondContact O-N 3.08Å; Y216-Q218 VanDerWaalsContact C-N 3.33Å; Y216-Q218 PolarHBondContact O-N 2.78Å; Q218-I220 VanDerWaalsContact C-N 3.34Å; Q218-I220 PolarHBondContact O-N 2.68Å; Q218-N221 PolarHBondContact O-N 3.03Å; Q218-T222 PolarHBondContact O-N 2.97Å; Q218-T222 PolarHBondContact O-OG1 3.23Å |
| 219 | N | 75.8 | Confident | 79.6 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 23% | 0.225 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -37.9 | 177.9 | -69.5 | 1.1 | 0 | 0 | 0 | 111.7 | S215 Y216 S223 A718 | S215-N219 WeakPolarHBondContact O-CB 3.23Å; S215-N219 PolarHBondContact O-N 3.41Å; S215-N219 PolarHBondContact O-OD1 3.15Å; Y216-N219 PolarHBondContact O-N 2.89Å; N219-S223 WeakPolarHBondContact O-CB 3.48Å; N219-S223 PolarHBondContact O-N 2.85Å; N219-S223 PolarHBondContact O-OG 3.21Å; N219-A718 HydrophobicContact CB-CB 3.99Å; N219-A718 PolarHBondContact ND2-O 3.19Å |
| 220 | I | 78.9 | Confident | 79.2 | Confident | 88 Ų | 88 | 36.7 Ų | 36.7 | 45% | 0.451 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 171.2 | -69.6 | 164.5 | 0 | 0 | 0 | 110.7 | L155 Y216 I217 Q218 S223 I224 | L155-I220 HydrophobicContact CD1-CG2 4.21Å; Y216-I220 VanDerWaalsContact O-CG1 3.31Å; Y216-I220 WeakPolarHBondContact O-CG1 3.47Å; Y216-I220 PolarHBondContact O-N 3.17Å; I217-I220 PolarHBondContact O-N 3.14Å; Q218-I220 VanDerWaalsContact C-N 3.34Å; Q218-I220 PolarHBondContact O-N 2.68Å; I220-S223 PolarHBondContact O-N 3.26Å; I220-I224 HydrophobicContact CG2-CD1 3.79Å; I220-I224 WeakPolarHBondContact O-CG1 3.29Å; I220-I224 PolarHBondContact O-N 2.99Å |
| 221 | N | 82 | Confident | 79 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 18% | 0.176 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 179.8 | -173.9 | 60.2 | 0 | 0 | 0 | 112.8 | L155 I159 I217 Q218 S225 | L155-N221 HydrophobicContact CB-CB 4.18Å; L155-N221 HydrophobicContact CD1-CB 4.26Å; I159-N221 HydrophobicContact CD1-CB 4.2Å; I217-N221 WeakPolarHBondContact O-CB 3Å; I217-N221 PolarHBondContact O-N 3.13Å; Q218-N221 PolarHBondContact O-N 3.03Å; N221-S225 WeakPolarHBondContact O-CB 3.47Å; N221-S225 PolarHBondContact O-N 3.49Å |
| 222 | T | 76.8 | Confident | 79.1 | Confident | 56 Ų | 56 | 35.5 Ų | 35.5 | 34% | 0.344 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | Q218 S225 S226 | Q218-T222 PolarHBondContact O-N 2.97Å; Q218-T222 PolarHBondContact O-OG1 3.23Å; T222-S225 WeakPolarHBondContact O-CB 3.47Å; T222-S225 PolarHBondContact O-N 3.08Å; T222-S226 PolarHBondContact O-N 3.22Å |
| 223 | S | 75.3 | Confident | 79 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 177.8 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | N219 I220 S225 S226 I227 | N219-S223 WeakPolarHBondContact O-CB 3.48Å; N219-S223 PolarHBondContact O-N 2.85Å; N219-S223 PolarHBondContact O-OG 3.21Å; I220-S223 PolarHBondContact O-N 3.26Å; S223-S225 VanDerWaalsContact C-N 3.33Å; S223-S225 PolarHBondContact O-N 2.79Å; S223-S226 PolarHBondContact O-N 2.75Å; S223-S226 VanDerWaalsContact O-N 3.17Å; S223-I227 WeakPolarHBondContact O-CD1 3.08Å; S223-I227 VanDerWaalsContact O-CG1 3.27Å; S223-I227 WeakPolarHBondContact O-CG1 3.36Å; S223-I227 PolarHBondContact O-N 3.12Å |
| 224 | I | 78 | Confident | 78.7 | Confident | 30 Ų | 30 | 31.8 Ų | 31.8 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.1 | -47.1 | 172.6 | -71.5 | 166.2 | 0 | 0 | 0 | 110.3 | F148 L151 Q152 L155 I220 S226 I227 I228 | F148-I224 HydrophobicContact CD1-CG2 3.7Å; F148-I224 HydrophobicContact CE1-CG2 4.19Å; L151-I224 HydrophobicContact CD2-CD1 4.23Å; Q152-I224 HydrophobicContact CG-CG2 4.17Å; L155-I224 HydrophobicContact CD1-CD1 3.63Å; I220-I224 HydrophobicContact CG2-CD1 3.79Å; I220-I224 WeakPolarHBondContact O-CG1 3.29Å; I220-I224 PolarHBondContact O-N 2.99Å; I224-S226 VanDerWaalsContact C-N 3.27Å; I224-S226 PolarHBondContact O-N 3.36Å; I224-I227 PolarHBondContact O-N 3.13Å; I224-I227 VanDerWaalsContact O-N 3.08Å; I224-I228 HydrophobicContact CG2-CD1 3.97Å; I224-I228 HydrophobicContact CG2-CG1 4.31Å; I224-I228 VanDerWaalsContact O-CG1 3.29Å; I224-I228 WeakPolarHBondContact O-CG1 3.24Å; I224-I228 PolarHBondContact O-N 3.32Å; I224-I228 VanDerWaalsContact O-N 3.12Å |
| 225 | S | 77.8 | Confident | 78.7 | Confident | 25 Ų | 25 | 34.6 Ų | 34.6 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -34.9 | 176.8 | -173.2 | 0 | 0 | 0 | 0 | 114 | Q152 N221 T222 S223 R265 | Q152-S225 VanDerWaalsContact NE2-CA 3.3Å; N221-S225 WeakPolarHBondContact O-CB 3.47Å; N221-S225 PolarHBondContact O-N 3.49Å; T222-S225 WeakPolarHBondContact O-CB 3.47Å; T222-S225 PolarHBondContact O-N 3.08Å; S223-S225 VanDerWaalsContact C-N 3.33Å; S223-S225 PolarHBondContact O-N 2.79Å; S225-R265 VanDerWaalsContact O-CZ 3.29Å; S225-R265 PolarHBondContact O-NE 3.08Å; S225-R265 PolarHBondContact O-NH2 3.39Å |
| 226 | S | 73.8 | Confident | 79.1 | Confident | 26 Ų | 26 | 33.7 Ų | 33.7 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -79 | -26.1 | 175.4 | -71 | 0 | 0 | 0 | 0 | 114.4 | T222 S223 I224 R265 | T222-S226 PolarHBondContact O-N 3.22Å; S223-S226 PolarHBondContact O-N 2.75Å; S223-S226 VanDerWaalsContact O-N 3.17Å; I224-S226 VanDerWaalsContact C-N 3.27Å; I224-S226 PolarHBondContact O-N 3.36Å; S226-R265 PolarHBondContact OG-NH2 2.9Å |
| 227 | I | 75.8 | Confident | 79.1 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 15% | 0.154 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -80.8 | -38.1 | -178.1 | -71.7 | 164.3 | 0 | 0 | 0 | 112 | S223 I224 T230 V231 I711 Q714 | S223-I227 WeakPolarHBondContact O-CD1 3.08Å; S223-I227 VanDerWaalsContact O-CG1 3.27Å; S223-I227 WeakPolarHBondContact O-CG1 3.36Å; S223-I227 PolarHBondContact O-N 3.12Å; I224-I227 PolarHBondContact O-N 3.13Å; I224-I227 VanDerWaalsContact O-N 3.08Å; I227-T230 PolarHBondContact O-N 3.24Å; I227-V231 HydrophobicContact CG2-CG2 3.51Å; I227-V231 PolarHBondContact O-N 3.44Å; I227-V231 VanDerWaalsContact O-N 3.1Å; I227-I711 HydrophobicContact CD1-CG1 4.22Å; I227-I711 HydrophobicContact CD1-CG2 4.48Å; I227-I711 HydrophobicContact CG1-CG1 4.45Å; I227-I711 HydrophobicContact CG2-CG1 4.4Å; I227-Q714 HydrophobicContact CD1-CG 4.32Å; I227-Q714 HydrophobicContact CG1-CG 4.38Å |
| 228 | I | 82.6 | Confident | 78.9 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -48.4 | -49.3 | -172.8 | -67.8 | 157 | 0 | 0 | 0 | 114.2 | I144 Y145 F148 Q152 I224 T230 V231 A232 | I144-I228 HydrophobicContact CG2-CG2 4.2Å; Y145-I228 HydrophobicContact CD1-CG2 3.49Å; Y145-I228 VanDerWaalsContact CD1-CG2 3.49Å; Y145-I228 HydrophobicContact CD2-CG2 4.44Å; Y145-I228 HydrophobicContact CE1-CB 4.39Å; Y145-I228 HydrophobicContact CE1-CG2 3.31Å; Y145-I228 HydrophobicContact CE2-CG2 4.3Å; Y145-I228 HydrophobicContact CG-CG2 4.08Å; F148-I228 HydrophobicContact CB-CD1 3.54Å; F148-I228 HydrophobicContact CB-CG1 3.75Å; F148-I228 HydrophobicContact CD1-CD1 4.32Å; F148-I228 HydrophobicContact CD1-CG1 4.04Å; F148-I228 HydrophobicContact CD2-CG1 4.18Å; F148-I228 HydrophobicContact CG-CD1 4.05Å; F148-I228 HydrophobicContact CG-CG1 3.73Å; Q152-I228 VanDerWaalsContact NE2-CD1 3.27Å; I224-I228 HydrophobicContact CG2-CD1 3.97Å; I224-I228 HydrophobicContact CG2-CG1 4.31Å; I224-I228 VanDerWaalsContact O-CG1 3.29Å; I224-I228 WeakPolarHBondContact O-CG1 3.24Å; I224-I228 PolarHBondContact O-N 3.32Å; I224-I228 VanDerWaalsContact O-N 3.12Å; I228-T230 VanDerWaalsContact C-N 3.3Å; I228-T230 PolarHBondContact O-N 3.26Å; I228-V231 PolarHBondContact O-N 3.07Å; I228-A232 WeakPolarHBondContact O-CB 3.23Å; I228-A232 PolarHBondContact O-N 3.48Å |
| 229 | P | 81.4 | Confident | 79 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 5% | 0.045 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -35.7 | -178.6 | -17 | 28.3 | 0 | 0 | 0 | 112.7 | Y145 A232 T233 R265 | Y145-P229 WeakPolarHBondContact OH-CA 3.5Å; Y145-P229 WeakPolarHBondContact OH-CB 3.42Å; Y145-P229 WeakPolarHBondContact OH-CG 3.25Å; P229-A232 PolarHBondContact O-N 2.98Å; P229-T233 WeakPolarHBondContact O-CG2 3.3Å; P229-T233 PolarHBondContact O-N 2.84Å; P229-T233 PolarHBondContact O-OG1 3.35Å; P229-R265 HydrophobicContact CG-CB 4.11Å; P229-R265 HydrophobicContact CG-CG 4.31Å |
| 230 | T | 77.2 | Confident | 79 | Confident | 26 Ų | 26 | 31.1 Ų | 31.1 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70 | -37.6 | 179.1 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | I227 I228 T233 V234 K710 | I227-T230 PolarHBondContact O-N 3.24Å; I228-T230 VanDerWaalsContact C-N 3.3Å; I228-T230 PolarHBondContact O-N 3.26Å; T230-T233 PolarHBondContact O-OG1 3.19Å; T230-T233 VanDerWaalsContact O-OG1 3.06Å; T230-V234 WeakPolarHBondContact O-CB 3.22Å; T230-V234 VanDerWaalsContact O-CG2 3.22Å; T230-V234 WeakPolarHBondContact O-CG2 3.36Å; T230-V234 PolarHBondContact O-N 3.35Å; T230-V234 VanDerWaalsContact O-N 3.12Å; T230-K710 HydrophobicContact CG2-CD 4.27Å; T230-K710 PolarHBondContact OG1-NZ 3.49Å |
| 231 | V | 80.6 | Confident | 78.8 | Confident | 41 Ų | 41 | 29.5 Ų | 29.5 | 25% | 0.248 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.4 | -38.8 | 176.2 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | I144 I227 I228 L235 | I144-V231 HydrophobicContact CD1-CG1 4.07Å; I144-V231 HydrophobicContact CG2-CG1 4.47Å; I227-V231 HydrophobicContact CG2-CG2 3.51Å; I227-V231 PolarHBondContact O-N 3.44Å; I227-V231 VanDerWaalsContact O-N 3.1Å; I228-V231 PolarHBondContact O-N 3.07Å; V231-L235 WeakPolarHBondContact O-CB 3.4Å; V231-L235 PolarHBondContact O-N 3.36Å |
| 232 | A | 84.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -50.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I144 Y145 I228 P229 V234 T236 F261 | I144-A232 HydrophobicContact CD1-CB 4.5Å; I144-A232 HydrophobicContact CG2-CB 4.33Å; Y145-A232 HydrophobicContact CD2-CB 4.35Å; Y145-A232 HydrophobicContact CE2-CB 3.88Å; I228-A232 WeakPolarHBondContact O-CB 3.23Å; I228-A232 PolarHBondContact O-N 3.48Å; P229-A232 PolarHBondContact O-N 2.98Å; A232-V234 PolarHBondContact O-N 2.88Å; A232-T236 WeakPolarHBondContact O-CB 3.28Å; A232-T236 PolarHBondContact O-N 2.99Å; A232-T236 PolarHBondContact O-OG1 3.1Å; A232-T236 VanDerWaalsContact O-OG1 3.11Å; A232-F261 HydrophobicContact CB-CD2 3.76Å; A232-F261 HydrophobicContact CB-CE2 3.91Å; A232-F261 HydrophobicContact CB-CG 4.48Å |
| 233 | T | 78.6 | Confident | 78.4 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 10% | 0.104 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 178 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | P229 T230 T236 F237 I258 F261 | P229-T233 WeakPolarHBondContact O-CG2 3.3Å; P229-T233 PolarHBondContact O-N 2.84Å; P229-T233 PolarHBondContact O-OG1 3.35Å; T230-T233 PolarHBondContact O-OG1 3.19Å; T230-T233 VanDerWaalsContact O-OG1 3.06Å; T233-T236 PolarHBondContact O-N 3.33Å; T233-F237 WeakPolarHBondContact O-CD2 3.42Å; T233-F237 VanDerWaalsContact O-CG 3.3Å; T233-F237 WeakPolarHBondContact O-CG 3.31Å; T233-F237 PolarHBondContact O-N 2.98Å; T233-I258 HydrophobicContact CG2-CB 4.45Å; T233-I258 HydrophobicContact CG2-CG1 3.75Å; T233-F261 HydrophobicContact CG2-CD2 3.76Å; T233-F261 HydrophobicContact CG2-CE2 4.48Å |
| 234 | V | 78 | Confident | 77.9 | Confident | 51 Ų | 51 | 38.5 Ų | 38.5 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.8 | -41.4 | -176.8 | 172 | 0 | 0 | 0 | 0 | 112.3 | T230 A232 L238 V707 | T230-V234 WeakPolarHBondContact O-CB 3.22Å; T230-V234 VanDerWaalsContact O-CG2 3.22Å; T230-V234 WeakPolarHBondContact O-CG2 3.36Å; T230-V234 PolarHBondContact O-N 3.35Å; T230-V234 VanDerWaalsContact O-N 3.12Å; A232-V234 PolarHBondContact O-N 2.88Å; V234-L238 VanDerWaalsContact O-CB 3.23Å; V234-L238 WeakPolarHBondContact O-CB 3.48Å; V234-L238 PolarHBondContact O-N 3.12Å; V234-V707 HydrophobicContact CG1-CG2 4.46Å; V234-V707 HydrophobicContact CG2-CG2 4.02Å |
| 235 | L | 81 | Confident | 77.4 | Confident | 70 Ų | 70 | 40.2 Ų | 40.2 | 37% | 0.366 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.6 | -41 | 177.3 | -167.8 | 72.3 | 0 | 0 | 0 | 111.5 | I144 V231 L238 V239 | I144-L235 HydrophobicContact CD1-CB 3.61Å; I144-L235 HydrophobicContact CD1-CD2 3.51Å; I144-L235 HydrophobicContact CD1-CG 4.17Å; I144-L235 HydrophobicContact CG1-CD2 4.14Å; V231-L235 WeakPolarHBondContact O-CB 3.4Å; V231-L235 PolarHBondContact O-N 3.36Å; L235-L238 HydrophobicContact CD1-CD2 4.29Å; L235-L238 PolarHBondContact O-N 3.5Å; L235-V239 HydrophobicContact CG-CG2 4.35Å; L235-V239 WeakPolarHBondContact O-CG2 3.48Å; L235-V239 PolarHBondContact O-N 3.06Å |
| 236 | T | 84.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 178.4 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | L134 T140 G141 A232 T233 V239 H240 | L134-T236 HydrophobicContact CD1-CG2 3.74Å; T140-T236 WeakPolarHBondContact OG1-CA 3.45Å; T140-T236 PolarHBondContact OG1-OG1 3.39Å; G141-T236 WeakPolarHBondContact CA-OG1 3.36Å; G141-T236 PolarHBondContact N-OG1 3.49Å; A232-T236 WeakPolarHBondContact O-CB 3.28Å; A232-T236 PolarHBondContact O-N 2.99Å; A232-T236 PolarHBondContact O-OG1 3.1Å; A232-T236 VanDerWaalsContact O-OG1 3.11Å; T233-T236 PolarHBondContact O-N 3.33Å; T236-V239 PolarHBondContact O-N 3.42Å; T236-H240 VanDerWaalsContact O-CB 3.31Å; T236-H240 WeakPolarHBondContact O-CB 3.48Å; T236-H240 PolarHBondContact O-N 2.86Å |
| 237 | F | 77.9 | Confident | 75.8 | Confident | 29 Ų | 29 | 44.7 Ų | 44.7 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 175.8 | -59.8 | -41 | 0 | 0 | 0 | 112.3 | L134 T233 H240 T241 A254 T257 | L134-F237 HydrophobicContact CD1-CE1 4.28Å; T233-F237 WeakPolarHBondContact O-CD2 3.42Å; T233-F237 VanDerWaalsContact O-CG 3.3Å; T233-F237 WeakPolarHBondContact O-CG 3.31Å; T233-F237 PolarHBondContact O-N 2.98Å; F237-H240 PolarHBondContact O-N 3.15Å; F237-T241 WeakPolarHBondContact O-CG2 3.21Å; F237-T241 PolarHBondContact O-N 3.12Å; F237-T241 PolarHBondContact O-OG1 3.36Å; F237-A254 HydrophobicContact CE1-CB 4.44Å; F237-A254 HydrophobicContact CZ-CB 4.04Å; F237-T257 HydrophobicContact CE1-CG2 4.32Å; F237-T257 HydrophobicContact CZ-CG2 4.29Å |
| 238 | L | 76.3 | Confident | 74.4 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 28% | 0.277 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 174.6 | 171.5 | 64 | 0 | 0 | 0 | 112.3 | V234 L235 T241 L242 H700 | V234-L238 VanDerWaalsContact O-CB 3.23Å; V234-L238 WeakPolarHBondContact O-CB 3.48Å; V234-L238 PolarHBondContact O-N 3.12Å; L235-L238 HydrophobicContact CD1-CD2 4.29Å; L235-L238 PolarHBondContact O-N 3.5Å; L238-T241 PolarHBondContact O-OG1 3.38Å; L238-L242 HydrophobicContact CD1-CD1 3.72Å; L238-L242 HydrophobicContact CD1-CG 4.01Å; L238-L242 HydrophobicContact CG-CD1 3.96Å; L238-L242 WeakPolarHBondContact O-CB 3.4Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.39Å; L238-L242 PolarHBondContact O-N 3.36Å; L238-H700 WeakPolarHBondContact CD1-CE1 3.3Å |
| 239 | V | 81.5 | Confident | 72.9 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69 | -37.5 | 179.1 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | T140 L235 T236 L242 L243 | T140-V239 HydrophobicContact CG2-CB 4.25Å; T140-V239 HydrophobicContact CG2-CG1 4.03Å; T140-V239 HydrophobicContact CG2-CG2 4.3Å; L235-V239 HydrophobicContact CG-CG2 4.35Å; L235-V239 WeakPolarHBondContact O-CG2 3.48Å; L235-V239 PolarHBondContact O-N 3.06Å; T236-V239 PolarHBondContact O-N 3.42Å; V239-L242 PolarHBondContact O-N 3.1Å; V239-L243 HydrophobicContact CG1-CD1 3.83Å; V239-L243 HydrophobicContact CG1-CG 4.4Å; V239-L243 WeakPolarHBondContact O-CD1 3.48Å; V239-L243 VanDerWaalsContact O-CG 3.27Å; V239-L243 WeakPolarHBondContact O-CG 3.5Å; V239-L243 PolarHBondContact O-N 2.9Å; V239-L243 VanDerWaalsContact O-N 3.12Å |
| 240 | H | 77.4 | Confident | 71.4 | Confident | 11 Ų | 11 | 51.8 Ų | 51.8 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.1 | -165.4 | 107 | 0 | 0 | 0 | 112.2 | T137 T236 F237 L243 L245 | T137-H240 HydrophobicContact CG2-CB 4.4Å; T137-H240 PolarHBondContact OG1-ND1 3.37Å; T236-H240 VanDerWaalsContact O-CB 3.31Å; T236-H240 WeakPolarHBondContact O-CB 3.48Å; T236-H240 PolarHBondContact O-N 2.86Å; F237-H240 PolarHBondContact O-N 3.15Å; H240-L243 PolarHBondContact O-N 2.99Å; H240-L245 WeakPolarHBondContact NE2-CB 3.27Å |
| 241 | T | 73 | Confident | 70.4 | Confident | 54 Ų | 54 | 51.1 Ų | 51.1 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.7 | -37.2 | 177.6 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | F237 L238 L243 G244 L247 | F237-T241 WeakPolarHBondContact O-CG2 3.21Å; F237-T241 PolarHBondContact O-N 3.12Å; F237-T241 PolarHBondContact O-OG1 3.36Å; L238-T241 PolarHBondContact O-OG1 3.38Å; T241-L243 PolarHBondContact O-N 3.12Å; T241-G244 PolarHBondContact O-N 3.12Å; T241-G244 VanDerWaalsContact O-N 3.13Å; T241-L247 HydrophobicContact CG2-CD1 3.69Å |
| 242 | L | 73.8 | Confident | 69.4 | Low | 135 Ų | 135 | 49.9 Ų | 49.9 | 71% | 0.707 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.5 | -27.1 | 175.8 | -75.9 | 174.5 | 0 | 0 | 0 | 113.5 | L238 V239 G244 | L238-L242 HydrophobicContact CD1-CD1 3.72Å; L238-L242 HydrophobicContact CD1-CG 4.01Å; L238-L242 HydrophobicContact CG-CD1 3.96Å; L238-L242 WeakPolarHBondContact O-CB 3.4Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.39Å; L238-L242 PolarHBondContact O-N 3.36Å; V239-L242 PolarHBondContact O-N 3.1Å; L242-G244 PolarHBondContact O-N 3.45Å |
| 243 | L | 77.5 | Confident | 68.7 | Low | 89 Ų | 89 | 51.8 Ų | 51.8 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 1 | 175.5 | -72.6 | 167.8 | 0 | 0 | 0 | 113.6 | Y136 T137 V239 H240 T241 L245 | Y136-L243 HydrophobicContact CE2-CD1 4Å; T137-L243 HydrophobicContact CG2-CD1 3.95Å; V239-L243 HydrophobicContact CG1-CD1 3.83Å; V239-L243 HydrophobicContact CG1-CG 4.4Å; V239-L243 WeakPolarHBondContact O-CD1 3.48Å; V239-L243 VanDerWaalsContact O-CG 3.27Å; V239-L243 WeakPolarHBondContact O-CG 3.5Å; V239-L243 PolarHBondContact O-N 2.9Å; V239-L243 VanDerWaalsContact O-N 3.12Å; H240-L243 PolarHBondContact O-N 2.99Å; T241-L243 PolarHBondContact O-N 3.12Å; L243-L245 HydrophobicContact CB-CD1 4.2Å; L243-L245 HydrophobicContact CB-CG 4.16Å; L243-L245 HydrophobicContact CD1-CD1 4.47Å; L243-L245 PolarHBondContact O-N 3.18Å |
| 244 | G | 64.9 | Low | 68.3 | Low | 69 Ų | 69 | 51.3 Ų | 51.3 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 12.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T241 L242 | T241-G244 PolarHBondContact O-N 3.12Å; T241-G244 VanDerWaalsContact O-N 3.13Å; L242-G244 PolarHBondContact O-N 3.45Å |
| 245 | L | 66.6 | Low | 68.1 | Low | 65 Ų | 65 | 49.5 Ų | 49.5 | 34% | 0.34 | 29% | 0.294 | S | S | . | . | trans | -70.4 | 129.9 | 176.2 | -66.1 | 170 | 0 | 0 | 0 | 109.5 | T137 H240 L243 L247 | T137-L245 HydrophobicContact CG2-CD1 3.51Å; H240-L245 WeakPolarHBondContact NE2-CB 3.27Å; L243-L245 HydrophobicContact CB-CD1 4.2Å; L243-L245 HydrophobicContact CB-CG 4.16Å; L243-L245 HydrophobicContact CD1-CD1 4.47Å; L243-L245 PolarHBondContact O-N 3.18Å; L245-L247 PolarHBondContact O-N 3.1Å | ||
| 246 | S | 57.8 | Low | 67.8 | Low | 88 Ų | 88 | 46.6 Ų | 46.6 | 62% | 0.615 | 28% | 0.279 | S | S | * | . | trans | -73.8 | 112.5 | 179.7 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | T248 | S246-T248 PolarHBondContact O-N 3.18Å; S246-T248 PolarHBondContact O-OG1 3.27Å | ||
| 247 | L | 60.5 | Low | 67.5 | Low | 57 Ų | 57 | 46.6 Ų | 46.6 | 30% | 0.298 | 28% | 0.279 | S | S | . | . | trans | -65.9 | 69 | 165.1 | -71.6 | 169.2 | 0 | 0 | 0 | 109.8 | T241 L245 T249 | T241-L247 HydrophobicContact CG2-CD1 3.69Å; L245-L247 PolarHBondContact O-N 3.1Å; L247-T249 PolarHBondContact O-N 3.48Å | ||
| 248 | T | 45.9 | Very low | 67.4 | Low | 88 Ų | 88 | 46.7 Ų | 46.7 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -66.1 | 117.4 | 179.3 | 28 | 0 | 0 | 0 | 0 | 108.7 | S246 Q253 | S246-T248 PolarHBondContact O-N 3.18Å; S246-T248 PolarHBondContact O-OG1 3.27Å; T248-Q253 PolarHBondContact O-NE2 3.42Å |
| 249 | T | 51.3 | Low | 67.3 | Low | 66 Ų | 66 | 46.6 Ų | 46.6 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 56.9 | 86.4 | -164.1 | 60.5 | 0 | 0 | 0 | 0 | 112 | E27 L247 D251 Q252 | E27-T249 WeakPolarHBondContact OE2-CB 3.35Å; E27-T249 VanDerWaalsContact OE2-CG2 3.26Å; E27-T249 WeakPolarHBondContact OE2-CG2 3.36Å; L247-T249 PolarHBondContact O-N 3.48Å; T249-D251 PolarHBondContact O-N 3.45Å; T249-D251 VanDerWaalsContact O-N 3.17Å; T249-Q252 PolarHBondContact OG1-NE2 2.92Å |
| 250 | S | 51.8 | Low | 67.2 | Low | 37 Ų | 37 | 45.6 Ų | 45.6 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -51.4 | -40.2 | -172.1 | 43 | 0 | 0 | 0 | 0 | 114.1 | A254 L683 | S250-A254 WeakPolarHBondContact O-CB 3.18Å; S250-L683 WeakPolarHBondContact O-CD2 3.39Å |
| 251 | D | 54.5 | Low | 67.4 | Low | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.064 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -80.9 | -40.3 | -166.4 | -67.1 | 36 | 0 | 0 | 0 | 111.8 | T249 A254 F255 S910 | T249-D251 PolarHBondContact O-N 3.45Å; T249-D251 VanDerWaalsContact O-N 3.17Å; D251-A254 PolarHBondContact O-N 3.3Å; D251-F255 WeakPolarHBondContact O-CD2 3.46Å; D251-F255 PolarHBondContact O-N 3.49Å; D251-S910 WeakPolarHBondContact OD2-CA 3.24Å; D251-S910 WeakPolarHBondContact OD2-CB 3.35Å; D251-S910 PolarHBondContact OD2-N 3.47Å |
| 252 | Q | 60.1 | Low | 67.7 | Low | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -51.1 | -172 | -56.1 | -168.9 | 34 | 0 | 0 | 112.6 | L23 T24 E27 T249 T256 | L23-Q252 HydrophobicContact CB-CG 4.14Å; T24-Q252 PolarHBondContact OG1-OE1 3.13Å; E27-Q252 WeakPolarHBondContact OE1-CG 3.04Å; E27-Q252 PolarHBondContact OE1-NE2 3Å; E27-Q252 PolarHBondContact OE2-NE2 2.81Å; T249-Q252 PolarHBondContact OG1-NE2 2.92Å; Q252-T256 WeakPolarHBondContact O-CB 3.47Å; Q252-T256 PolarHBondContact O-OG1 2.94Å |
| 253 | Q | 69.1 | Low | 67.8 | Low | 39 Ų | 39 | 39.7 Ų | 39.7 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.3 | -33.4 | -176.3 | -58.8 | -176.6 | 16.8 | 0 | 0 | 112.2 | V133 T248 T257 | V133-Q253 HydrophobicContact CG1-CB 4.18Å; V133-Q253 HydrophobicContact CG1-CG 4.41Å; T248-Q253 PolarHBondContact O-NE2 3.42Å; Q253-T257 WeakPolarHBondContact O-CB 3.42Å; Q253-T257 PolarHBondContact O-N 3.31Å; Q253-T257 PolarHBondContact O-OG1 3Å |
| 254 | A | 71.8 | Confident | 67.9 | Low | 7 Ų | 7 | 35.5 Ų | 35.5 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.2 | -54.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F237 S250 D251 T256 T257 I258 L683 | F237-A254 HydrophobicContact CE1-CB 4.44Å; F237-A254 HydrophobicContact CZ-CB 4.04Å; S250-A254 WeakPolarHBondContact O-CB 3.18Å; D251-A254 PolarHBondContact O-N 3.3Å; A254-T256 VanDerWaalsContact C-N 3.34Å; A254-T256 PolarHBondContact O-N 2.81Å; A254-T257 PolarHBondContact O-N 3.04Å; A254-I258 WeakPolarHBondContact O-CD1 3.44Å; A254-I258 VanDerWaalsContact O-CG1 3.27Å; A254-I258 WeakPolarHBondContact O-CG1 3.28Å; A254-I258 PolarHBondContact O-N 3.12Å; A254-L683 HydrophobicContact CB-CD1 3.93Å; A254-L683 HydrophobicContact CB-CD2 3.98Å |
| 255 | F | 72.3 | Confident | 68.6 | Low | 13 Ų | 13 | 35.9 Ų | 35.9 | 6% | 0.057 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 179.1 | -71.4 | -65.7 | 0 | 0 | 0 | 112.3 | D251 T257 I258 A259 L683 L914 | D251-F255 WeakPolarHBondContact O-CD2 3.46Å; D251-F255 PolarHBondContact O-N 3.49Å; F255-T257 VanDerWaalsContact C-N 3.35Å; F255-T257 PolarHBondContact O-N 3.06Å; F255-I258 HydrophobicContact CD1-CD1 4.37Å; F255-I258 PolarHBondContact O-N 2.98Å; F255-A259 PolarHBondContact O-N 2.85Å; F255-L683 HydrophobicContact CD2-CD1 4.2Å; F255-L683 HydrophobicContact CE1-CD1 4.5Å; F255-L683 HydrophobicContact CE2-CD1 3.59Å; F255-L683 HydrophobicContact CZ-CD1 3.76Å; F255-L914 HydrophobicContact CE1-CD1 4.39Å; F255-L914 HydrophobicContact CZ-CB 4.42Å |
| 256 | T | 75.7 | Confident | 69.1 | Low | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | V133 Q252 A254 A259 I260 | V133-T256 HydrophobicContact CG1-CG2 4.28Å; V133-T256 HydrophobicContact CG2-CG2 4.01Å; Q252-T256 WeakPolarHBondContact O-CB 3.47Å; Q252-T256 PolarHBondContact O-OG1 2.94Å; A254-T256 VanDerWaalsContact C-N 3.34Å; A254-T256 PolarHBondContact O-N 2.81Å; T256-A259 PolarHBondContact O-N 3.28Å; T256-I260 HydrophobicContact CG2-CD1 4.11Å; T256-I260 WeakPolarHBondContact O-CG1 3.25Å; T256-I260 PolarHBondContact O-N 3.39Å |
| 257 | T | 77.6 | Confident | 70 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | L134 F237 Q253 A254 F255 A259 I260 F261 | L134-T257 HydrophobicContact CD1-CG2 3.57Å; L134-T257 WeakPolarHBondContact CD1-OG1 3.5Å; F237-T257 HydrophobicContact CE1-CG2 4.32Å; F237-T257 HydrophobicContact CZ-CG2 4.29Å; Q253-T257 WeakPolarHBondContact O-CB 3.42Å; Q253-T257 PolarHBondContact O-N 3.31Å; Q253-T257 PolarHBondContact O-OG1 3Å; A254-T257 PolarHBondContact O-N 3.04Å; F255-T257 VanDerWaalsContact C-N 3.35Å; F255-T257 PolarHBondContact O-N 3.06Å; T257-A259 VanDerWaalsContact C-N 3.3Å; T257-A259 PolarHBondContact O-N 2.87Å; T257-I260 PolarHBondContact O-N 2.87Å; T257-F261 HydrophobicContact CG2-CD2 4.14Å; T257-F261 HydrophobicContact CG2-CE2 3.86Å; T257-F261 HydrophobicContact CG2-CZ 4.07Å; T257-F261 PolarHBondContact O-N 3.45Å |
| 258 | I | 76.3 | Confident | 70.7 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 16% | 0.159 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 176.9 | -65.7 | 158.8 | 0 | 0 | 0 | 110.6 | T233 A254 F255 N262 L679 | T233-I258 HydrophobicContact CG2-CB 4.45Å; T233-I258 HydrophobicContact CG2-CG1 3.75Å; A254-I258 WeakPolarHBondContact O-CD1 3.44Å; A254-I258 VanDerWaalsContact O-CG1 3.27Å; A254-I258 WeakPolarHBondContact O-CG1 3.28Å; A254-I258 PolarHBondContact O-N 3.12Å; F255-I258 HydrophobicContact CD1-CD1 4.37Å; F255-I258 PolarHBondContact O-N 2.98Å; I258-N262 WeakPolarHBondContact O-CB 3.49Å; I258-N262 PolarHBondContact O-N 3.34Å; I258-N262 PolarHBondContact O-ND2 3.5Å; I258-N262 VanDerWaalsContact O-ND2 3.15Å; I258-L679 HydrophobicContact CD1-CD2 3.53Å |
| 259 | A | 74 | Confident | 72 | Confident | 52 Ų | 52 | 29.9 Ų | 29.9 | 43% | 0.43 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F255 T256 T257 N262 A263 | F255-A259 PolarHBondContact O-N 2.85Å; T256-A259 PolarHBondContact O-N 3.28Å; T257-A259 VanDerWaalsContact C-N 3.3Å; T257-A259 PolarHBondContact O-N 2.87Å; A259-N262 PolarHBondContact O-N 2.9Å; A259-A263 PolarHBondContact O-N 2.83Å |
| 260 | I | 79.8 | Confident | 73.2 | Confident | 19 Ų | 19 | 27.8 Ų | 27.8 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 178.1 | -66.3 | 162.9 | 0 | 0 | 0 | 111.3 | C126 L129 A130 V133 T256 T257 N262 A263 M264 | C126-I260 HydrophobicContact CB-CG2 3.91Å; C126-I260 VanDerWaalsContact O-CG2 3.32Å; C126-I260 WeakPolarHBondContact O-CG2 3.23Å; L129-I260 HydrophobicContact CB-CD1 3.99Å; A130-I260 HydrophobicContact CB-CG2 4.13Å; V133-I260 HydrophobicContact CG2-CD1 4.33Å; T256-I260 HydrophobicContact CG2-CD1 4.11Å; T256-I260 WeakPolarHBondContact O-CG1 3.25Å; T256-I260 PolarHBondContact O-N 3.39Å; T257-I260 PolarHBondContact O-N 2.87Å; I260-N262 PolarHBondContact O-N 3.18Å; I260-A263 WeakPolarHBondContact O-CB 3.17Å; I260-A263 PolarHBondContact O-N 3.22Å; I260-M264 PolarHBondContact O-N 3.39Å |
| 261 | F | 82.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.5 | -34 | 177.3 | -71.1 | -9.6 | 0 | 0 | 0 | 112.4 | A130 Y145 A232 T233 T257 M264 R265 | A130-F261 HydrophobicContact CB-CE1 4.25Å; Y145-F261 HydrophobicContact CE2-CB 4.18Å; Y145-F261 HydrophobicContact CE2-CD1 4.33Å; Y145-F261 HydrophobicContact CE2-CG 4.19Å; Y145-F261 PolarHBondContact OH-O 3.22Å; A232-F261 HydrophobicContact CB-CD2 3.76Å; A232-F261 HydrophobicContact CB-CE2 3.91Å; A232-F261 HydrophobicContact CB-CG 4.48Å; T233-F261 HydrophobicContact CG2-CD2 3.76Å; T233-F261 HydrophobicContact CG2-CE2 4.48Å; T257-F261 HydrophobicContact CG2-CD2 4.14Å; T257-F261 HydrophobicContact CG2-CE2 3.86Å; T257-F261 HydrophobicContact CG2-CZ 4.07Å; T257-F261 PolarHBondContact O-N 3.45Å; F261-M264 WeakPolarHBondContact O-CB 3.02Å; F261-M264 PolarHBondContact O-N 2.87Å; F261-R265 PolarHBondContact O-N 3.45Å |
| 262 | N | 77.3 | Confident | 75.5 | Confident | 60 Ų | 60 | 32.2 Ų | 32.2 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.5 | -35.1 | 172.2 | -77.6 | -36.8 | 0 | 0 | 0 | 112.7 | I258 A259 I260 R265 F266 | I258-N262 WeakPolarHBondContact O-CB 3.49Å; I258-N262 PolarHBondContact O-N 3.34Å; I258-N262 PolarHBondContact O-ND2 3.5Å; I258-N262 VanDerWaalsContact O-ND2 3.15Å; A259-N262 PolarHBondContact O-N 2.9Å; I260-N262 PolarHBondContact O-N 3.18Å; N262-R265 PolarHBondContact O-N 2.83Å; N262-F266 PolarHBondContact O-N 3.19Å; N262-F266 VanDerWaalsContact O-N 3.17Å |
| 263 | A | 76.8 | Confident | 76.3 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | L12 A259 I260 R265 F266 S267 | L12-A263 HydrophobicContact CD2-CB 4.02Å; A259-A263 PolarHBondContact O-N 2.83Å; I260-A263 WeakPolarHBondContact O-CB 3.17Å; I260-A263 PolarHBondContact O-N 3.22Å; A263-R265 PolarHBondContact O-N 3.01Å; A263-F266 WeakPolarHBondContact O-CB 3.28Å; A263-F266 PolarHBondContact O-N 2.9Å; A263-F266 VanDerWaalsContact O-N 3.14Å; A263-S267 PolarHBondContact O-N 3.24Å; A263-S267 VanDerWaalsContact O-N 3.12Å |
| 264 | M | 80.5 | Confident | 77 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 173.9 | -176.1 | 172.4 | -83.9 | 0 | 0 | 112.4 | F123 C126 I127 V142 Y145 I260 F261 F266 S267 L268 | F123-M264 HydrophobicContact CD2-CE 3.98Å; F123-M264 HydrophobicContact CD2-CG 3.59Å; F123-M264 HydrophobicContact CD2-SD 4.18Å; F123-M264 HydrophobicContact CE2-CE 3.79Å; F123-M264 HydrophobicContact CE2-CG 3.42Å; F123-M264 VanDerWaalsContact CE2-CG 3.42Å; F123-M264 HydrophobicContact CE2-SD 3.59Å; F123-M264 VanDerWaalsContact CE2-SD 3.59Å; F123-M264 HydrophobicContact CG-CE 4.42Å; F123-M264 HydrophobicContact CZ-CE 4.09Å; F123-M264 HydrophobicContact CZ-CG 4.48Å; F123-M264 HydrophobicContact CZ-SD 4.12Å; C126-M264 HydrophobicContact CB-CB 4.44Å; C126-M264 HydrophobicContact CB-CE 3.96Å; I127-M264 HydrophobicContact CD1-CE 4.39Å; I127-M264 HydrophobicContact CG1-CE 3.56Å; V142-M264 HydrophobicContact CG2-CE 4.43Å; Y145-M264 HydrophobicContact CD1-CG 4.22Å; Y145-M264 HydrophobicContact CD1-SD 4.3Å; Y145-M264 HydrophobicContact CD2-CG 4.14Å; Y145-M264 HydrophobicContact CD2-SD 3.32Å; Y145-M264 WeakPolarHBondContact CD2-SD 3.46Å; Y145-M264 HydrophobicContact CE1-CG 4.26Å; Y145-M264 HydrophobicContact CE2-CB 4.46Å; Y145-M264 HydrophobicContact CE2-CG 4.19Å; Y145-M264 HydrophobicContact CE2-SD 3.75Å; Y145-M264 HydrophobicContact CG-CG 4.15Å; Y145-M264 HydrophobicContact CG-SD 3.64Å; I260-M264 PolarHBondContact O-N 3.39Å; F261-M264 WeakPolarHBondContact O-CB 3.02Å; F261-M264 PolarHBondContact O-N 2.87Å; M264-F266 VanDerWaalsContact C-N 3.34Å; M264-F266 PolarHBondContact O-N 3.25Å; M264-S267 PolarHBondContact O-N 3.4Å; M264-S267 PolarHBondContact O-OG 2.82Å; M264-L268 WeakPolarHBondContact O-CG 3.06Å; M264-L268 PolarHBondContact O-N 2.79Å |
| 265 | R | 78.8 | Confident | 77.4 | Confident | 78 Ų | 78 | 37.5 Ų | 37.5 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 170.4 | 176.6 | 179.8 | 177.5 | -168.1 | 6.9 | 112 | Y145 S225 S226 P229 F261 N262 A263 S267 L268 A269 | Y145-R265 HydrophobicContact CE1-CB 4.47Å; S225-R265 VanDerWaalsContact O-CZ 3.29Å; S225-R265 PolarHBondContact O-NE 3.08Å; S225-R265 PolarHBondContact O-NH2 3.39Å; S226-R265 PolarHBondContact OG-NH2 2.9Å; P229-R265 HydrophobicContact CG-CB 4.11Å; P229-R265 HydrophobicContact CG-CG 4.31Å; F261-R265 PolarHBondContact O-N 3.45Å; N262-R265 PolarHBondContact O-N 2.83Å; A263-R265 PolarHBondContact O-N 3.01Å; R265-S267 PolarHBondContact O-N 3.13Å; R265-L268 PolarHBondContact O-N 3Å; R265-A269 WeakPolarHBondContact O-CB 3.39Å; R265-A269 PolarHBondContact O-N 3.16Å |
| 266 | F | 76.1 | Confident | 77.9 | Confident | 93 Ų | 93 | 41.5 Ų | 41.5 | 41% | 0.408 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -40 | -179.2 | 178.8 | -97.9 | 0 | 0 | 0 | 112.4 | N262 A263 M264 A269 L270 | N262-F266 PolarHBondContact O-N 3.19Å; N262-F266 VanDerWaalsContact O-N 3.17Å; A263-F266 WeakPolarHBondContact O-CB 3.28Å; A263-F266 PolarHBondContact O-N 2.9Å; A263-F266 VanDerWaalsContact O-N 3.14Å; M264-F266 VanDerWaalsContact C-N 3.34Å; M264-F266 PolarHBondContact O-N 3.25Å; F266-A269 PolarHBondContact O-N 3.31Å; F266-L270 HydrophobicContact CD1-CD1 4.12Å; F266-L270 HydrophobicContact CE1-CD1 3.5Å; F266-L270 HydrophobicContact CE1-CG 4.46Å; F266-L270 HydrophobicContact CZ-CD1 3.73Å; F266-L270 HydrophobicContact CZ-CG 4.37Å; F266-L270 PolarHBondContact O-N 3.32Å |
| 267 | S | 76.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 177.1 | 67.8 | 0 | 0 | 0 | 0 | 112 | T119 A263 M264 R265 L270 | T119-S267 WeakPolarHBondContact CG2-O 3.34Å; T119-S267 PolarHBondContact OG1-O 3.08Å; A263-S267 PolarHBondContact O-N 3.24Å; A263-S267 VanDerWaalsContact O-N 3.12Å; M264-S267 PolarHBondContact O-N 3.4Å; M264-S267 PolarHBondContact O-OG 2.82Å; R265-S267 PolarHBondContact O-N 3.13Å; S267-L270 PolarHBondContact O-N 3.11Å |
| 268 | L | 76.2 | Confident | 78.8 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.8 | -39.1 | 176.8 | -67.6 | 174.3 | 0 | 0 | 0 | 112.7 | F123 Y145 V149 M264 R265 L270 L271 P272 | F123-L268 HydrophobicContact CD2-CD2 4.13Å; F123-L268 HydrophobicContact CD2-CG 4.22Å; F123-L268 HydrophobicContact CE2-CD1 4Å; F123-L268 HydrophobicContact CE2-CD2 3.99Å; F123-L268 HydrophobicContact CE2-CG 4.08Å; Y145-L268 HydrophobicContact CD1-CD1 3.44Å; Y145-L268 VanDerWaalsContact CD1-CD1 3.44Å; Y145-L268 HydrophobicContact CE1-CD1 4.04Å; Y145-L268 HydrophobicContact CG-CD1 4.33Å; V149-L268 HydrophobicContact CG2-CD1 3.58Å; V149-L268 HydrophobicContact CG2-CD2 3.67Å; V149-L268 HydrophobicContact CG2-CG 4.2Å; M264-L268 WeakPolarHBondContact O-CG 3.06Å; M264-L268 PolarHBondContact O-N 2.79Å; R265-L268 PolarHBondContact O-N 3Å; L268-L270 VanDerWaalsContact C-N 3.25Å; L268-L270 PolarHBondContact O-N 3.25Å; L268-L271 PolarHBondContact O-N 3.14Å; L268-P272 VanDerWaalsContact O-CD 3.26Å; L268-P272 WeakPolarHBondContact O-CD 3.27Å |
| 269 | A | 74 | Confident | 79.2 | Confident | 54 Ų | 54 | 46 Ų | 46 | 45% | 0.446 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.6 | -28 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R265 F266 | R265-A269 WeakPolarHBondContact O-CB 3.39Å; R265-A269 PolarHBondContact O-N 3.16Å; F266-A269 PolarHBondContact O-N 3.31Å |
| 270 | L | 75.2 | Confident | 79.8 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -76.2 | -29.5 | 175.2 | -78.1 | 169.4 | 0 | 0 | 0 | 113.5 | F115 F266 S267 L268 L273 C274 | F115-L270 HydrophobicContact CD1-CD1 4.25Å; F115-L270 HydrophobicContact CG-CD1 4.44Å; F266-L270 HydrophobicContact CD1-CD1 4.12Å; F266-L270 HydrophobicContact CE1-CD1 3.5Å; F266-L270 HydrophobicContact CE1-CG 4.46Å; F266-L270 HydrophobicContact CZ-CD1 3.73Å; F266-L270 HydrophobicContact CZ-CG 4.37Å; F266-L270 PolarHBondContact O-N 3.32Å; S267-L270 PolarHBondContact O-N 3.11Å; L268-L270 VanDerWaalsContact C-N 3.25Å; L268-L270 PolarHBondContact O-N 3.25Å; L270-L273 PolarHBondContact O-N 2.71Å; L270-C274 PolarHBondContact O-N 3.44Å; L270-C274 PolarHBondContact O-SG 3.24Å |
| 271 | L | 78.1 | Confident | 80.3 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | -168.8 | -170.3 | 62.3 | 0 | 0 | 0 | 113.9 | T119 L268 L273 C274 V275 | T119-L271 HydrophobicContact CG2-CB 4.2Å; T119-L271 HydrophobicContact CG2-CD1 4.16Å; L268-L271 PolarHBondContact O-N 3.14Å; L271-L273 VanDerWaalsContact C-N 3.3Å; L271-L273 PolarHBondContact O-N 3.18Å; L271-C274 PolarHBondContact O-N 3.1Å; L271-V275 HydrophobicContact CD1-CG2 4.32Å; L271-V275 HydrophobicContact CG-CG2 4.42Å; L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 3.3Å |
| 272 | P | 76.3 | Confident | 80.7 | Confident | 79 Ų | 79 | 48.8 Ų | 48.8 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 179 | -23.4 | 34.8 | 0 | 0 | 0 | 113.5 | L268 K276 | L268-P272 VanDerWaalsContact O-CD 3.26Å; L268-P272 WeakPolarHBondContact O-CD 3.27Å; P272-K276 WeakPolarHBondContact O-CB 3.33Å; P272-K276 PolarHBondContact O-N 3.18Å |
| 273 | L | 76.6 | Confident | 81.2 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 48% | 0.482 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 178.1 | -61.7 | 174 | 0 | 0 | 0 | 111 | L270 L271 A277 | L270-L273 PolarHBondContact O-N 2.71Å; L271-L273 VanDerWaalsContact C-N 3.3Å; L271-L273 PolarHBondContact O-N 3.18Å; L273-A277 WeakPolarHBondContact O-CB 3.32Å; L273-A277 PolarHBondContact O-N 3.14Å |
| 274 | C | 84.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -47 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | A116 L270 L271 A277 L278 | A116-C274 HydrophobicContact CB-CB 4.16Å; L270-C274 PolarHBondContact O-N 3.44Å; L270-C274 PolarHBondContact O-SG 3.24Å; L271-C274 PolarHBondContact O-N 3.1Å; C274-A277 PolarHBondContact O-N 2.88Å; C274-L278 WeakPolarHBondContact O-CB 3.46Å; C274-L278 VanDerWaalsContact O-CG 3.3Å; C274-L278 WeakPolarHBondContact O-CG 3.39Å; C274-L278 PolarHBondContact O-N 3.05Å |
| 275 | V | 81.4 | Confident | 82.4 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | L271 A279 | L271-V275 HydrophobicContact CD1-CG2 4.32Å; L271-V275 HydrophobicContact CG-CG2 4.42Å; L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 3.3Å; V275-A279 VanDerWaalsContact O-CB 3.29Å; V275-A279 WeakPolarHBondContact O-CB 3.41Å; V275-A279 PolarHBondContact O-N 2.91Å |
| 276 | K | 81.9 | Confident | 82.9 | Confident | 96 Ų | 96 | 57.8 Ų | 57.8 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.6 | -57.3 | 173.2 | 176.9 | -168.7 | 175.5 | -78.3 | 0 | 111.2 | E108 P272 L278 A279 E280 | E108-K276 IonicContact OE2-NZ 2.66Å; P272-K276 WeakPolarHBondContact O-CB 3.33Å; P272-K276 PolarHBondContact O-N 3.18Å; K276-L278 VanDerWaalsContact C-N 3.34Å; K276-L278 PolarHBondContact O-N 3.48Å; K276-A279 PolarHBondContact O-N 2.9Å; K276-E280 WeakPolarHBondContact CE-OE1 3.24Å; K276-E280 HydrophobicContact CG-CG 4.43Å; K276-E280 VanDerWaalsContact NZ-CD 3.25Å; K276-E280 IonicContact NZ-OE1 2.82Å; K276-E280 PolarHBondContact NZ-OE1 3.39Å; K276-E280 VanDerWaalsContact NZ-OE1 3.12Å; K276-E280 IonicContact NZ-OE2 3.27Å; K276-E280 PolarHBondContact NZ-OE2 2.73Å; K276-E280 WeakPolarHBondContact O-CG 3.3Å; K276-E280 PolarHBondContact O-N 3.03Å |
| 277 | A | 85.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112 | E108 L273 C274 E280 A281 | E108-A277 HydrophobicContact CB-CB 4.31Å; L273-A277 WeakPolarHBondContact O-CB 3.32Å; L273-A277 PolarHBondContact O-N 3.14Å; C274-A277 PolarHBondContact O-N 2.88Å; A277-E280 PolarHBondContact O-N 3Å; A277-A281 WeakPolarHBondContact O-CB 3.38Å; A277-A281 PolarHBondContact O-N 3.15Å |
| 278 | L | 87.9 | Confident | 84.2 | Confident | 78 Ų | 78 | 56.7 Ų | 56.7 | 41% | 0.408 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 176.3 | -69.7 | 170.5 | 0 | 0 | 0 | 112.3 | A109 A116 C274 K276 A282 | A109-L278 HydrophobicContact CB-CD2 4.46Å; A116-L278 HydrophobicContact CB-CD1 3.91Å; C274-L278 WeakPolarHBondContact O-CB 3.46Å; C274-L278 VanDerWaalsContact O-CG 3.3Å; C274-L278 WeakPolarHBondContact O-CG 3.39Å; C274-L278 PolarHBondContact O-N 3.05Å; K276-L278 VanDerWaalsContact C-N 3.34Å; K276-L278 PolarHBondContact O-N 3.48Å; L278-A282 WeakPolarHBondContact O-CB 3.03Å; L278-A282 PolarHBondContact O-N 3.48Å |
| 279 | A | 84.6 | Confident | 85 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 45% | 0.446 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V275 K276 A282 V283 | V275-A279 VanDerWaalsContact O-CB 3.29Å; V275-A279 WeakPolarHBondContact O-CB 3.41Å; V275-A279 PolarHBondContact O-N 2.91Å; K276-A279 PolarHBondContact O-N 2.9Å; A279-A282 PolarHBondContact O-N 3.3Å; A279-V283 PolarHBondContact O-N 3.36Å; A279-V283 VanDerWaalsContact O-N 3.08Å |
| 280 | E | 86.1 | Confident | 85.7 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 177.4 | -73.6 | 175.6 | 165.3 | 0 | 0 | 112.1 | R105 K276 A277 S284 | R105-E280 HydrophobicContact CB-CB 4.49Å; K276-E280 WeakPolarHBondContact CE-OE1 3.24Å; K276-E280 HydrophobicContact CG-CG 4.43Å; K276-E280 VanDerWaalsContact NZ-CD 3.25Å; K276-E280 IonicContact NZ-OE1 2.82Å; K276-E280 PolarHBondContact NZ-OE1 3.39Å; K276-E280 VanDerWaalsContact NZ-OE1 3.12Å; K276-E280 IonicContact NZ-OE2 3.27Å; K276-E280 PolarHBondContact NZ-OE2 2.73Å; K276-E280 WeakPolarHBondContact O-CG 3.3Å; K276-E280 PolarHBondContact O-N 3.03Å; A277-E280 PolarHBondContact O-N 3Å; E280-S284 WeakPolarHBondContact O-CB 2.99Å; E280-S284 PolarHBondContact O-N 3.07Å; E280-S284 PolarHBondContact O-OG 2.85Å |
| 281 | A | 90.6 | Very high | 86.3 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.9 | -35.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | L106 A109 A277 S284 L285 | L106-A281 HydrophobicContact CG-CB 4.34Å; A109-A281 HydrophobicContact CB-CB 3.34Å; A277-A281 WeakPolarHBondContact O-CB 3.38Å; A277-A281 PolarHBondContact O-N 3.15Å; A281-S284 WeakPolarHBondContact O-CB 2.98Å; A281-S284 PolarHBondContact O-N 3.43Å; A281-L285 WeakPolarHBondContact O-CB 2.95Å; A281-L285 PolarHBondContact O-N 3.23Å |
| 282 | A | 89.4 | Confident | 86.8 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L278 A279 L285 K286 | L278-A282 WeakPolarHBondContact O-CB 3.03Å; L278-A282 PolarHBondContact O-N 3.48Å; A279-A282 PolarHBondContact O-N 3.3Å; A282-L285 PolarHBondContact O-N 3.03Å; A282-K286 PolarHBondContact O-N 2.92Å |
| 283 | V | 89.2 | Confident | 87.4 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | A279 L285 K286 R287 | A279-V283 PolarHBondContact O-N 3.36Å; A279-V283 VanDerWaalsContact O-N 3.08Å; V283-L285 PolarHBondContact O-N 3.01Å; V283-K286 WeakPolarHBondContact O-CB 3.34Å; V283-K286 PolarHBondContact O-N 2.98Å; V283-R287 PolarHBondContact O-N 3.07Å |
| 284 | S | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 178 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | D102 R105 E280 A281 R287 L288 | D102-S284 PolarHBondContact OD1-OG 2.97Å; D102-S284 WeakPolarHBondContact OD2-CA 3.29Å; R105-S284 VanDerWaalsContact CD-OG 3.25Å; R105-S284 WeakPolarHBondContact CD-OG 3.49Å; E280-S284 WeakPolarHBondContact O-CB 2.99Å; E280-S284 PolarHBondContact O-N 3.07Å; E280-S284 PolarHBondContact O-OG 2.85Å; A281-S284 WeakPolarHBondContact O-CB 2.98Å; A281-S284 PolarHBondContact O-N 3.43Å; S284-R287 PolarHBondContact O-N 2.93Å; S284-L288 PolarHBondContact O-N 2.94Å |
| 285 | L | 91.6 | Very high | 87.6 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.6 | -35.3 | 176.7 | -165.7 | 69.8 | 0 | 0 | 0 | 111.8 | A281 A282 V283 R287 L288 R289 | A281-L285 WeakPolarHBondContact O-CB 2.95Å; A281-L285 PolarHBondContact O-N 3.23Å; A282-L285 PolarHBondContact O-N 3.03Å; V283-L285 PolarHBondContact O-N 3.01Å; L285-R287 VanDerWaalsContact C-N 3.34Å; L285-L288 PolarHBondContact O-N 3.29Å; L285-R289 WeakPolarHBondContact O-CB 3.37Å; L285-R289 PolarHBondContact O-N 3.17Å |
| 286 | K | 90.3 | Very high | 87.4 | Confident | 163 Ų | 163 | 68.9 Ų | 68.9 | 71% | 0.709 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.4 | -39 | 171.7 | -171.6 | 178.8 | 179.5 | -178.8 | 0 | 111.7 | A282 V283 R289 K290 | A282-K286 PolarHBondContact O-N 2.92Å; V283-K286 WeakPolarHBondContact O-CB 3.34Å; V283-K286 PolarHBondContact O-N 2.98Å; K286-R289 PolarHBondContact O-N 3.27Å; K286-K290 PolarHBondContact O-N 3.3Å |
| 287 | R | 88.7 | Confident | 87.1 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 21% | 0.211 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | 174.6 | -71.7 | -161.5 | -70.5 | -151.7 | 2.2 | 113.2 | E94 V98 D102 R105 V283 S284 L285 R289 K290 I291 | E94-R287 WeakPolarHBondContact OE1-CD 3.39Å; V98-R287 HydrophobicContact CG2-CB 3.81Å; D102-R287 IonicContact OD1-CZ 2.6Å; D102-R287 IonicContact OD1-NH2 3.07Å; D102-R287 PolarHBondContact OD1-NH2 2.83Å; D102-R287 IonicContact OD2-CZ 3.25Å; D102-R287 VanDerWaalsContact OD2-CZ 3.28Å; D102-R287 IonicContact OD2-NE 2.71Å; D102-R287 PolarHBondContact OD2-NE 2.88Å; D102-R287 IonicContact OD2-NH2 3.84Å; D102-R287 PolarHBondContact OD2-NH2 3.31Å; R105-R287 VanDerWaalsContact NH1-NH2 3.15Å; V283-R287 PolarHBondContact O-N 3.07Å; S284-R287 PolarHBondContact O-N 2.93Å; L285-R287 VanDerWaalsContact C-N 3.34Å; R287-R289 VanDerWaalsContact C-N 3.3Å; R287-R289 PolarHBondContact O-N 2.85Å; R287-K290 WeakPolarHBondContact O-CB 3.48Å; R287-K290 PolarHBondContact O-N 3.07Å; R287-K290 VanDerWaalsContact O-N 3.15Å; R287-I291 PolarHBondContact O-N 3.46Å; R287-I291 VanDerWaalsContact O-N 3.08Å |
| 288 | L | 90.9 | Very high | 86.8 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 172.4 | -179.9 | 60.6 | 0 | 0 | 0 | 111 | F73 A77 V98 S284 L285 K290 I291 L292 | F73-L288 HydrophobicContact CD2-CD2 3.47Å; F73-L288 VanDerWaalsContact CD2-CD2 3.47Å; F73-L288 HydrophobicContact CE2-CB 3.74Å; F73-L288 HydrophobicContact CE2-CD2 3.36Å; F73-L288 HydrophobicContact CE2-CG 4.11Å; F73-L288 HydrophobicContact CG-CD2 4.27Å; F73-L288 HydrophobicContact CZ-CB 3.88Å; F73-L288 HydrophobicContact CZ-CD2 4.07Å; F73-L288 HydrophobicContact CZ-CG 4.46Å; A77-L288 HydrophobicContact CB-CD1 3.79Å; V98-L288 HydrophobicContact CG1-CD1 4.4Å; S284-L288 PolarHBondContact O-N 2.94Å; L285-L288 PolarHBondContact O-N 3.29Å; L288-K290 VanDerWaalsContact C-N 3.32Å; L288-K290 PolarHBondContact O-N 3.04Å; L288-I291 PolarHBondContact O-N 3.06Å; L288-L292 HydrophobicContact CD1-CD1 4.16Å; L288-L292 HydrophobicContact CD1-CD2 4.46Å; L288-L292 HydrophobicContact CD1-CG 3.96Å; L288-L292 HydrophobicContact CD2-CD1 4.24Å; L288-L292 HydrophobicContact CG-CD1 3.78Å; L288-L292 HydrophobicContact CG-CG 4.08Å; L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 WeakPolarHBondContact O-CG 3.38Å; L288-L292 PolarHBondContact O-N 3.19Å |
| 289 | R | 92.2 | Very high | 86.4 | Confident | 175 Ų | 175 | 71.6 Ų | 71.6 | 66% | 0.66 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.1 | -40.2 | 174.4 | -179.5 | 175.3 | 173.1 | 177.7 | -0.8 | 112.2 | L285 K286 R287 L292 L293 | L285-R289 WeakPolarHBondContact O-CB 3.37Å; L285-R289 PolarHBondContact O-N 3.17Å; K286-R289 PolarHBondContact O-N 3.27Å; R287-R289 VanDerWaalsContact C-N 3.3Å; R287-R289 PolarHBondContact O-N 2.85Å; R289-L292 PolarHBondContact O-N 3.31Å; R289-L293 HydrophobicContact CG-CD1 3.72Å; R289-L293 HydrophobicContact CG-CG 4.27Å; R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 VanDerWaalsContact O-CG 3.28Å; R289-L293 WeakPolarHBondContact O-CG 3.26Å; R289-L293 PolarHBondContact O-N 3.3Å |
| 290 | K | 89.3 | Confident | 86.4 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.4 | -51.8 | 173.5 | -170.8 | -166.9 | 176.3 | -164.1 | 0 | 110.7 | G89 I90 E94 K286 R287 L288 L293 V294 | G89-K290 WeakPolarHBondContact O-CE 3.44Å; G89-K290 PolarHBondContact O-NZ 3.33Å; I90-K290 HydrophobicContact CD1-CD 4.06Å; I90-K290 HydrophobicContact CD1-CG 3.99Å; I90-K290 HydrophobicContact CG1-CD 4.16Å; E94-K290 IonicContact OE1-NZ 3.36Å; E94-K290 IonicContact OE2-NZ 2.79Å; E94-K290 PolarHBondContact OE2-NZ 2.86Å; K286-K290 PolarHBondContact O-N 3.3Å; R287-K290 WeakPolarHBondContact O-CB 3.48Å; R287-K290 PolarHBondContact O-N 3.07Å; R287-K290 VanDerWaalsContact O-N 3.15Å; L288-K290 VanDerWaalsContact C-N 3.32Å; L288-K290 PolarHBondContact O-N 3.04Å; K290-L293 PolarHBondContact O-N 2.8Å; K290-V294 WeakPolarHBondContact O-CG2 3.46Å; K290-V294 PolarHBondContact O-N 3.43Å |
| 291 | I | 88 | Confident | 86.2 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 179.9 | -66.5 | 171.6 | 0 | 0 | 0 | 112.2 | K80 V81 I90 M95 V98 R287 L288 L293 V294 | K80-I291 WeakPolarHBondContact CE-O 3.44Å; K80-I291 HydrophobicContact CG-CG2 4Å; V81-I291 HydrophobicContact CG2-CG2 4.02Å; I90-I291 HydrophobicContact CD1-CB 4.36Å; I90-I291 HydrophobicContact CD1-CG1 3.6Å; I90-I291 HydrophobicContact CG2-CG1 4.41Å; M95-I291 HydrophobicContact CG-CD1 4.43Å; V98-I291 HydrophobicContact CB-CD1 3.93Å; V98-I291 HydrophobicContact CG1-CD1 4.06Å; V98-I291 HydrophobicContact CG2-CD1 3.79Å; R287-I291 PolarHBondContact O-N 3.46Å; R287-I291 VanDerWaalsContact O-N 3.08Å; L288-I291 PolarHBondContact O-N 3.06Å; I291-L293 VanDerWaalsContact C-N 3.29Å; I291-L293 PolarHBondContact O-N 3.13Å; I291-V294 PolarHBondContact O-N 3.49Å |
| 292 | L | 89.1 | Confident | 85.8 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 40% | 0.398 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -33.8 | 178.4 | -72 | 175.2 | 0 | 0 | 0 | 112.7 | I76 K80 L288 R289 | I76-L292 HydrophobicContact CG2-CD2 4.07Å; K80-L292 HydrophobicContact CB-CD2 3.92Å; K80-L292 WeakPolarHBondContact CE-O 3.16Å; K80-L292 HydrophobicContact CG-CD2 4.04Å; L288-L292 HydrophobicContact CD1-CD1 4.16Å; L288-L292 HydrophobicContact CD1-CD2 4.46Å; L288-L292 HydrophobicContact CD1-CG 3.96Å; L288-L292 HydrophobicContact CD2-CD1 4.24Å; L288-L292 HydrophobicContact CG-CD1 3.78Å; L288-L292 HydrophobicContact CG-CG 4.08Å; L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 WeakPolarHBondContact O-CG 3.38Å; L288-L292 PolarHBondContact O-N 3.19Å; R289-L292 PolarHBondContact O-N 3.31Å |
| 293 | L | 89.1 | Confident | 85.4 | Confident | 114 Ų | 114 | 76.1 Ų | 76.1 | 60% | 0.597 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5 | 179 | -68.4 | 175.9 | 0 | 0 | 0 | 114.6 | R289 K290 I291 Q295 | R289-L293 HydrophobicContact CG-CD1 3.72Å; R289-L293 HydrophobicContact CG-CG 4.27Å; R289-L293 WeakPolarHBondContact O-CB 3.43Å; R289-L293 VanDerWaalsContact O-CG 3.28Å; R289-L293 WeakPolarHBondContact O-CG 3.26Å; R289-L293 PolarHBondContact O-N 3.3Å; K290-L293 PolarHBondContact O-N 2.8Å; I291-L293 VanDerWaalsContact C-N 3.29Å; I291-L293 PolarHBondContact O-N 3.13Å; L293-Q295 PolarHBondContact O-N 2.94Å; L293-Q295 VanDerWaalsContact O-N 3.1Å |
| 294 | V | 84.8 | Confident | 84.9 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 11% | 0.109 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 116.2 | 170.7 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | K80 L84 I90 K290 I291 | K80-V294 WeakPolarHBondContact CE-O 3.35Å; K80-V294 PolarHBondContact NZ-O 3.44Å; L84-V294 HydrophobicContact CD2-CB 3.94Å; L84-V294 HydrophobicContact CD2-CG1 3.69Å; I90-V294 HydrophobicContact CD1-CG2 3.57Å; I90-V294 HydrophobicContact CG1-CG2 4.43Å; K290-V294 WeakPolarHBondContact O-CG2 3.46Å; K290-V294 PolarHBondContact O-N 3.43Å; I291-V294 PolarHBondContact O-N 3.49Å |
| 295 | Q | 79.5 | Confident | 83.8 | Confident | 149 Ų | 149 | 84.7 Ų | 84.7 | 70% | 0.696 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 139.6 | 172.3 | -65.7 | -179.7 | -8.2 | 0 | 0 | 109.1 | L293 | L293-Q295 PolarHBondContact O-N 2.94Å; L293-Q295 VanDerWaalsContact O-N 3.1Å |
| 296 | N | 77.8 | Confident | 82.2 | Confident | 51 Ų | 51 | 87.3 Ų | 87.3 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 161.5 | 166.7 | -75.7 | -8.4 | 0 | 0 | 0 | 109.3 | S83 L84 E298 | S83-N296 PolarHBondContact O-ND2 2.79Å; S83-N296 PolarHBondContact O-OD1 2.83Å; L84-N296 WeakPolarHBondContact CA-OD1 3.48Å; L84-N296 WeakPolarHBondContact CD2-OD1 3.16Å; N296-E298 PolarHBondContact O-N 3.06Å |
| 297 | P | 75.6 | Confident | 81 | Confident | 7 Ų | 7 | 83.2 Ų | 83.2 | 5% | 0.045 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -50 | 137.8 | 154.9 | -23 | 34.6 | 0 | 0 | 0 | 110 | V86 | V86-P297 HydrophobicContact CG2-CG 3.65Š|
| 298 | E | 77.8 | Confident | 80.7 | Confident | 121 Ų | 121 | 86.8 Ų | 86.8 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 134.4 | 165.2 | -74.6 | 137.9 | -101.9 | 0 | 0 | 108.1 | N296 Y300 K322 | N296-E298 PolarHBondContact O-N 3.06Å; E298-Y300 WeakPolarHBondContact O-CD1 3.26Å; E298-Y300 PolarHBondContact O-N 3.22Å; E298-K322 IonicContact OE1-NZ 2.62Å; E298-K322 PolarHBondContact OE1-NZ 2.99Å |
| 299 | P | 79.7 | Confident | 80.5 | Confident | 104 Ų | 104 | 87.7 Ų | 87.7 | 68% | 0.675 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 126.8 | 179.7 | 28.3 | -33.2 | 0 | 0 | 0 | 109.7 | E362 | P299-E362 WeakPolarHBondContact CA-OE1 3.29Å; P299-E362 WeakPolarHBondContact CB-OE1 3.43Å |
| 300 | Y | 84.4 | Confident | 80.3 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | trans | -124.4 | -2.9 | -177.8 | 51.2 | -105.3 | 0 | 0 | 0 | 112.9 | E298 E302 L318 S359 E362 M364 L366 I371 | E298-Y300 WeakPolarHBondContact O-CD1 3.26Å; E298-Y300 PolarHBondContact O-N 3.22Å; Y300-E302 PolarHBondContact O-N 3.07Å; Y300-E302 VanDerWaalsContact O-N 3.16Å; Y300-L318 HydrophobicContact CE2-CD2 4.33Å; Y300-S359 PolarHBondContact OH-O 2.87Å; Y300-E362 HydrophobicContact CE1-CB 4.49Å; Y300-E362 HydrophobicContact CE2-CB 4.45Å; Y300-E362 HydrophobicContact CE2-CG 4.25Å; Y300-E362 PolarHBondContact N-OE1 2.76Å; Y300-E362 WeakPolarHBondContact OH-CA 3.47Å; Y300-M364 WeakPolarHBondContact CE1-O 3.2Å; Y300-M364 PolarHBondContact OH-O 3.21Å; Y300-L366 HydrophobicContact CD1-CB 3.53Å; Y300-L366 HydrophobicContact CD1-CD2 4.4Å; Y300-L366 HydrophobicContact CD2-CB 4.11Å; Y300-L366 HydrophobicContact CD2-CD2 3.94Å; Y300-L366 HydrophobicContact CE1-CB 3.73Å; Y300-L366 HydrophobicContact CE2-CB 4.28Å; Y300-L366 HydrophobicContact CG-CB 3.73Å; Y300-L366 HydrophobicContact CG-CD2 3.76Å; Y300-L366 HydrophobicContact CG-CG 4.39Å; Y300-I371 HydrophobicContact CD2-CB 4.42Å; Y300-I371 HydrophobicContact CD2-CD1 4.2Å; Y300-I371 HydrophobicContact CE2-CD1 3.85Å | ||
| 301 | L | 82.9 | Confident | 80.5 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 99 | 176.4 | -173.1 | 66.8 | 0 | 0 | 0 | 110.2 | Q303 E362 I371 A373 F377 | L301-Q303 PolarHBondContact O-N 3.16Å; L301-E362 HydrophobicContact CB-CG 3.77Å; L301-E362 WeakPolarHBondContact CB-OE1 3.47Å; L301-E362 PolarHBondContact N-OE1 3.02Å; L301-E362 VanDerWaalsContact N-OE1 3.08Å; L301-I371 HydrophobicContact CD1-CG2 3.71Å; L301-A373 HydrophobicContact CD1-CB 3.8Å; L301-A373 HydrophobicContact CD2-CB 4.48Å; L301-A373 HydrophobicContact CG-CB 4.38Å; L301-F377 HydrophobicContact CD2-CE2 3.72Å; L301-F377 HydrophobicContact CD2-CZ 3.88Å |
| 302 | E | 82.4 | Confident | 80.7 | Confident | 94 Ų | 94 | 75.7 Ų | 75.7 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 114.9 | 174.6 | -80.9 | -174.6 | -155.5 | 0 | 0 | 110.9 | Y300 R304 I371 T372 A373 | Y300-E302 PolarHBondContact O-N 3.07Å; Y300-E302 VanDerWaalsContact O-N 3.16Å; E302-R304 HydrophobicContact CB-CG 4.44Å; E302-R304 PolarHBondContact O-N 3.35Å; E302-R304 IonicContact OE1-NH2 3.49Å; E302-R304 IonicContact OE2-CZ 3.71Å; E302-R304 IonicContact OE2-NE 2.81Å; E302-R304 PolarHBondContact OE2-NE 3.18Å; E302-R304 IonicContact OE2-NH2 3.89Å; E302-R304 PolarHBondContact OE2-NH2 3.3Å; E302-I371 PolarHBondContact N-O 2.96Å; E302-I371 VanDerWaalsContact N-O 3.11Å; E302-T372 HydrophobicContact CB-CG2 3.85Å; E302-T372 WeakPolarHBondContact O-CA 3.45Å; E302-A373 PolarHBondContact O-N 3.1Å; E302-A373 VanDerWaalsContact O-N 3.1Å |
| 303 | Q | 80.3 | Confident | 80.8 | Confident | 124 Ų | 124 | 72.2 Ų | 72.2 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 110.1 | 169.1 | -72.2 | -162.6 | -25.7 | 0 | 0 | 111 | L301 A373 | L301-Q303 PolarHBondContact O-N 3.16Å; Q303-A373 WeakPolarHBondContact CA-O 3.29Å |
| 304 | R | 78.5 | Confident | 80.9 | Confident | 113 Ų | 113 | 73.5 Ų | 73.5 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | trans | -118.2 | 110.8 | 180 | -64.9 | -173.5 | -179.8 | -165.5 | 0.7 | 110.4 | E302 D306 T372 A373 D374 | E302-R304 HydrophobicContact CB-CG 4.44Å; E302-R304 PolarHBondContact O-N 3.35Å; E302-R304 IonicContact OE1-NH2 3.49Å; E302-R304 IonicContact OE2-CZ 3.71Å; E302-R304 IonicContact OE2-NE 2.81Å; E302-R304 PolarHBondContact OE2-NE 3.18Å; E302-R304 IonicContact OE2-NH2 3.89Å; E302-R304 PolarHBondContact OE2-NH2 3.3Å; R304-D306 PolarHBondContact O-N 3.28Å; R304-T372 HydrophobicContact CG-CG2 4.19Å; R304-A373 PolarHBondContact N-O 3.27Å; R304-D374 WeakPolarHBondContact O-CB 3.49Å | ||
| 305 | K | 66.1 | Low | 81.3 | Confident | 146 Ų | 146 | 77 Ų | 77 | 64% | 0.635 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.3 | -166 | -63.8 | -169.6 | 173.2 | -173 | 0 | 116.1 | ||
| 306 | D | 59.5 | Low | 81.8 | Confident | 156 Ų | 156 | 69.9 Ų | 69.9 | 83% | 0.834 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 12.5 | -162.4 | -51.4 | -72.5 | 0 | 0 | 0 | 113.7 | R304 | R304-D306 PolarHBondContact O-N 3.28Š|
| 307 | N | 64.6 | Low | 82.5 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -106.2 | 158.1 | 178.7 | -95.8 | 8 | 0 | 0 | 0 | 112.8 | T309 K339 | N307-T309 VanDerWaalsContact C-N 3.27Å; N307-K339 WeakPolarHBondContact O-CE 3.5Å; N307-K339 PolarHBondContact O-NZ 2.95Å |
| 308 | N | 82.9 | Confident | 83.2 | Confident | 132 Ų | 132 | 68.2 Ų | 68.2 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -83.3 | 1.3 | 170.8 | -159.9 | 42.7 | 0 | 0 | 0 | 113.7 | K339 | N308-K339 PolarHBondContact O-N 3.27Š|
| 309 | T | 86.9 | Confident | 83.7 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143.2 | 173.7 | 48.6 | 0 | 0 | 0 | 0 | 111 | N307 L337 K339 | N307-T309 VanDerWaalsContact C-N 3.27Å; T309-L337 CarbonylContact C-O 3.45Å; T309-L337 WeakPolarHBondContact CA-O 3.38Å; T309-K339 WeakPolarHBondContact O-CE 3.44Å |
| 310 | A | 88.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L337 K339 A373 D374 I457 S488 | A310-L337 HydrophobicContact CB-CD2 4.31Å; A310-L337 HydrophobicContact CB-CG 4.33Å; A310-L337 PolarHBondContact N-O 3.01Å; A310-K339 HydrophobicContact CB-CG 3.9Å; A310-A373 CarbonylContact O-C 3.52Å; A310-A373 WeakPolarHBondContact O-CA 3.35Å; A310-A373 WeakPolarHBondContact O-CB 3.5Å; A310-D374 PolarHBondContact O-N 3.45Å; A310-I457 HydrophobicContact CB-CD1 4.41Å; A310-I457 HydrophobicContact CB-CG1 4.31Å; A310-I457 WeakPolarHBondContact O-CD1 3.45Å; A310-S488 VanDerWaalsContact CB-OG 3.28Å; A310-S488 WeakPolarHBondContact CB-OG 3.41Å |
| 311 | V | 91.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.9 | 172.8 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | F335 L337 I360 T372 A373 I457 | V311-F335 HydrophobicContact CG1-CE2 4.37Å; V311-F335 HydrophobicContact CG1-CZ 4.16Å; V311-L337 HydrophobicContact CB-CB 4.18Å; V311-L337 HydrophobicContact CB-CD2 4.36Å; V311-L337 HydrophobicContact CG2-CD2 4.22Å; V311-L337 PolarHBondContact O-N 3.25Å; V311-I360 HydrophobicContact CG1-CD1 4.29Å; V311-I360 HydrophobicContact CG1-CG1 4.46Å; V311-T372 WeakPolarHBondContact CA-O 3.29Å; V311-A373 HydrophobicContact CG2-CB 4.29Å; V311-I457 HydrophobicContact CG2-CD1 3.99Å; V311-I457 HydrophobicContact CG2-CG2 4.22Å |
| 312 | E | 92.1 | Very high | 82.9 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 132.9 | 173.6 | 151.2 | -178 | -119.7 | 0 | 0 | 109.9 | R314 T336 I371 T372 | E312-R314 VanDerWaalsContact CD-NE 3.34Å; E312-R314 HydrophobicContact CG-CG 4.08Å; E312-R314 IonicContact OE1-CZ 3.97Å; E312-R314 IonicContact OE1-NE 2.72Å; E312-R314 PolarHBondContact OE1-NE 2.91Å; E312-R314 IonicContact OE1-NH2 3.92Å; E312-R314 PolarHBondContact OE1-NH2 3.04Å; E312-R314 IonicContact OE2-NE 2.77Å; E312-R314 IonicContact OE2-NH2 3.12Å; E312-T336 HydrophobicContact CB-CG2 4.16Å; E312-T336 HydrophobicContact CG-CG2 4.14Å; E312-I371 WeakPolarHBondContact O-CA 3.32Å; E312-T372 VanDerWaalsContact CB-OG1 3.25Å; E312-T372 WeakPolarHBondContact CB-OG1 3.1Å; E312-T372 WeakPolarHBondContact CG-OG1 3.49Å; E312-T372 PolarHBondContact N-O 3.01Å; E312-T372 PolarHBondContact O-N 3.3Å; E312-T372 PolarHBondContact O-OG1 3.16Å; E312-T372 PolarHBondContact OE2-OG1 2.89Å; E312-T372 VanDerWaalsContact OE2-OG1 3.06Å |
| 313 | M | 92.6 | Very high | 82 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.4 | 171.4 | -63.1 | -156.7 | -173.1 | 0 | 0 | 109.5 | A316 I333 S334 F335 L356 S359 I360 I371 | M313-A316 HydrophobicContact CB-CB 4.29Å; M313-A316 HydrophobicContact SD-CB 4.31Å; M313-I333 HydrophobicContact SD-CG2 4.2Å; M313-S334 WeakPolarHBondContact O-CA 3.18Å; M313-F335 HydrophobicContact CB-CD1 4.05Å; M313-F335 HydrophobicContact CB-CE1 4.04Å; M313-F335 HydrophobicContact CE-CE1 3.92Å; M313-F335 HydrophobicContact CE-CZ 4.22Å; M313-F335 HydrophobicContact CG-CD1 4.11Å; M313-F335 HydrophobicContact CG-CE1 3.57Å; M313-F335 HydrophobicContact CG-CZ 4.18Å; M313-F335 PolarHBondContact N-O 3.12Å; M313-F335 PolarHBondContact O-N 2.98Å; M313-F335 VanDerWaalsContact O-N 3.13Å; M313-F335 HydrophobicContact SD-CD1 4.42Å; M313-F335 HydrophobicContact SD-CE1 3.68Å; M313-F335 HydrophobicContact SD-CZ 4.49Å; M313-L356 HydrophobicContact CE-CD1 4.2Å; M313-L356 HydrophobicContact SD-CD1 4.11Å; M313-S359 WeakPolarHBondContact CE-OG 3.43Å; M313-I360 HydrophobicContact CE-CD1 4.05Å; M313-I360 HydrophobicContact CE-CG1 3.35Å; M313-I371 HydrophobicContact CE-CD1 4.07Å; M313-I371 HydrophobicContact CE-CG2 4.17Å; M313-I371 HydrophobicContact CG-CD1 4.4Å; M313-I371 HydrophobicContact CG-CG1 3.99Å; M313-I371 HydrophobicContact CG-CG2 4.12Å; M313-I371 HydrophobicContact SD-CD1 3.91Å; M313-I371 HydrophobicContact SD-CG1 4.15Å |
| 314 | R | 91.7 | Very high | 80.7 | Confident | 141 Ų | 141 | 66.9 Ų | 66.9 | 53% | 0.532 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 109.3 | 178.3 | -63.5 | -173.7 | -179.9 | -162.7 | 2.1 | 110.7 | E312 A316 G369 S370 | E312-R314 VanDerWaalsContact CD-NE 3.34Å; E312-R314 HydrophobicContact CG-CG 4.08Å; E312-R314 IonicContact OE1-CZ 3.97Å; E312-R314 IonicContact OE1-NE 2.72Å; E312-R314 PolarHBondContact OE1-NE 2.91Å; E312-R314 IonicContact OE1-NH2 3.92Å; E312-R314 PolarHBondContact OE1-NH2 3.04Å; E312-R314 IonicContact OE2-NE 2.77Å; E312-R314 IonicContact OE2-NH2 3.12Å; R314-A316 PolarHBondContact O-N 3.39Å; R314-A316 VanDerWaalsContact O-N 3.16Å; R314-G369 CarbonylContact O-C 3.59Å; R314-G369 WeakPolarHBondContact O-CA 3.29Å; R314-S370 PolarHBondContact N-O 3.31Å; R314-S370 PolarHBondContact O-N 2.63Å |
| 315 | N | 91.4 | Very high | 79.6 | Confident | 90 Ų | 90 | 70 Ų | 70 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.9 | 36.9 | 178.1 | -64 | -12.1 | 0 | 0 | 0 | 112.9 | T317 N332 I333 S334 | N315-T317 PolarHBondContact O-N 3.22Å; N315-N332 VanDerWaalsContact CB-OD1 3.27Å; N315-N332 WeakPolarHBondContact CB-OD1 3.35Å; N315-N332 PolarHBondContact OD1-OD1 3.01Å; N315-I333 PolarHBondContact N-O 3.19Å; N315-S334 PolarHBondContact N-OG 3.4Å; N315-S334 PolarHBondContact OD1-OG 3.26Å |
| 316 | A | 91.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 121.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111 | M313 R314 L318 N332 I333 L366 R368 I371 | M313-A316 HydrophobicContact CB-CB 4.29Å; M313-A316 HydrophobicContact SD-CB 4.31Å; R314-A316 PolarHBondContact O-N 3.39Å; R314-A316 VanDerWaalsContact O-N 3.16Å; A316-L318 HydrophobicContact CB-CD1 4.03Å; A316-N332 PolarHBondContact O-N 3.42Å; A316-I333 HydrophobicContact CB-CB 4.47Å; A316-I333 PolarHBondContact N-O 3.1Å; A316-I333 PolarHBondContact O-N 3.43Å; A316-L366 HydrophobicContact CB-CD1 4.15Å; A316-R368 WeakPolarHBondContact CA-O 3.2Å; A316-I371 HydrophobicContact CB-CD1 4.24Å; A316-I371 HydrophobicContact CB-CG1 4.13Å |
| 317 | T | 91.5 | Very high | 80.2 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.3 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 108.4 | N315 P328 L330 N332 L367 R368 | N315-T317 PolarHBondContact O-N 3.22Å; T317-P328 HydrophobicContact CG2-CB 3.85Å; T317-P328 HydrophobicContact CG2-CG 4.27Å; T317-L330 CarbonylContact C-O 3.58Å; T317-L330 WeakPolarHBondContact CA-O 2.74Å; T317-N332 PolarHBondContact OG1-N 3.48Å; T317-N332 VanDerWaalsContact OG1-N 3.13Å; T317-L367 WeakPolarHBondContact O-CB 3.25Å; T317-L367 PolarHBondContact O-N 3.18Å; T317-R368 PolarHBondContact N-O 3.17Å; T317-R368 PolarHBondContact O-N 2.97Å |
| 318 | L | 90.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150 | -170.6 | -57.5 | 111 | 0 | 0 | 0 | 113.1 | Y300 A316 T329 L330 M364 H365 L366 I371 | Y300-L318 HydrophobicContact CE2-CD2 4.33Å; A316-L318 HydrophobicContact CB-CD1 4.03Å; L318-T329 PolarHBondContact O-N 3.2Å; L318-L330 HydrophobicContact CB-CB 4.34Å; L318-L330 HydrophobicContact CD1-CB 4.18Å; L318-L330 HydrophobicContact CD1-CD1 4.07Å; L318-L330 PolarHBondContact N-O 2.93Å; L318-L330 PolarHBondContact O-N 2.95Å; L318-M364 HydrophobicContact CB-CB 4.13Å; L318-M364 HydrophobicContact CB-CE 3.88Å; L318-M364 HydrophobicContact CB-SD 4.23Å; L318-M364 HydrophobicContact CD2-CB 3.99Å; L318-H365 VanDerWaalsContact CA-O 3.29Å; L318-H365 WeakPolarHBondContact CA-O 3.48Å; L318-L366 HydrophobicContact CD1-CD1 4.38Å; L318-L366 HydrophobicContact CD2-CB 4.12Å; L318-L366 HydrophobicContact CD2-CD1 3.96Å; L318-L366 HydrophobicContact CG-CD1 3.87Å; L318-I371 HydrophobicContact CD1-CD1 4.36Å; L318-I371 HydrophobicContact CD2-CD1 4.21Å |
| 319 | S | 88.7 | Confident | 81.2 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.6 | 173.8 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | T321 S326 H365 | S319-T321 WeakPolarHBondContact CB-O 3.46Å; S319-T321 PolarHBondContact O-N 2.94Å; S319-T321 PolarHBondContact OG-N 3.35Å; S319-T321 VanDerWaalsContact OG-N 3.12Å; S319-T321 PolarHBondContact OG-O 3.47Å; S319-S326 PolarHBondContact OG-OG 3.15Å; S319-H365 PolarHBondContact N-O 2.92Å; S319-H365 PolarHBondContact O-N 3.4Å |
| 320 | W | 82.3 | Confident | 81.4 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -68.3 | -16.5 | 169 | -67.8 | 105.4 | 0 | 0 | 0 | 113.3 | S355 S358 Q363 M364 | W320-S355 PolarHBondContact NE1-OG 3.19Å; W320-S358 VanDerWaalsContact CH2-CB 3.46Å; W320-Q363 HydrophobicContact CZ3-CB 4.35Å; W320-M364 HydrophobicContact CD2-CE 4.3Å; W320-M364 HydrophobicContact CD2-CG 4.03Å; W320-M364 HydrophobicContact CE3-CG 3.92Å; W320-M364 HydrophobicContact CG-CE 4.29Å; W320-M364 HydrophobicContact CH2-CG 4.17Å; W320-M364 HydrophobicContact CZ2-CG 4.23Å; W320-M364 HydrophobicContact CZ2-SD 4.31Å; W320-M364 HydrophobicContact CZ3-CG 3.99Å |
| 321 | T | 79.3 | Confident | 81.6 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -131 | 137.7 | -178.3 | 36.3 | 0 | 0 | 0 | 0 | 112.2 | S319 T323 S326 | S319-T321 WeakPolarHBondContact CB-O 3.46Å; S319-T321 PolarHBondContact O-N 2.94Å; S319-T321 PolarHBondContact OG-N 3.35Å; S319-T321 VanDerWaalsContact OG-N 3.12Å; S319-T321 PolarHBondContact OG-O 3.47Å; T321-T323 PolarHBondContact O-N 3.11Å; T321-S326 VanDerWaalsContact OG1-CB 3.25Å; T321-S326 WeakPolarHBondContact OG1-CB 3.37Å; T321-S326 PolarHBondContact OG1-OG 3.15Å |
| 322 | K | 68.8 | Low | 81.5 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 50% | 0.504 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -75.5 | -7 | 179.7 | -166.4 | 168.6 | -179.3 | 177.2 | 0 | 113.8 | E298 | E298-K322 IonicContact OE1-NZ 2.62Å; E298-K322 PolarHBondContact OE1-NZ 2.99Å |
| 323 | T | 63.3 | Low | 81.6 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -75 | 133 | 176.5 | 16.8 | 0 | 0 | 0 | 0 | 111.7 | T321 E325 S326 | T321-T323 PolarHBondContact O-N 3.11Å; T323-E325 PolarHBondContact O-N 3.17Å; T323-E325 VanDerWaalsContact O-N 3.14Å; T323-S326 PolarHBondContact O-N 3.46Å; T323-S326 PolarHBondContact O-OG 2.96Å |
| 324 | S | 54 | Low | 81.6 | Confident | 127 Ų | 127 | 66.8 Ų | 66.8 | 89% | 0.888 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -6.8 | -179.9 | 49.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 325 | E | 55.3 | Low | 81.6 | Confident | 179 Ų | 179 | 61 Ų | 61 | 84% | 0.836 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -19.7 | 178.9 | -62.6 | 172.3 | 159.4 | 0 | 0 | 112.7 | T323 | T323-E325 PolarHBondContact O-N 3.17Å; T323-E325 VanDerWaalsContact O-N 3.14Å |
| 326 | S | 61.5 | Low | 81.6 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -84.3 | 126.9 | 174.9 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | S319 T321 T323 | S319-S326 PolarHBondContact OG-OG 3.15Å; T321-S326 VanDerWaalsContact OG1-CB 3.25Å; T321-S326 WeakPolarHBondContact OG1-CB 3.37Å; T321-S326 PolarHBondContact OG1-OG 3.15Å; T323-S326 PolarHBondContact O-N 3.46Å; T323-S326 PolarHBondContact O-OG 2.96Å |
| 327 | L | 75.9 | Confident | 81.7 | Confident | 157 Ų | 157 | 60.6 Ų | 60.6 | 82% | 0.822 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 134.8 | 168.6 | -74.6 | 164.7 | 0 | 0 | 0 | 110.5 | T329 | L327-T329 PolarHBondContact O-N 3.26Š|
| 328 | P | 82.9 | Confident | 81.7 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 132.3 | 177.9 | 26.5 | -34.5 | 0 | 0 | 0 | 111.1 | T317 K331 | T317-P328 HydrophobicContact CG2-CB 3.85Å; T317-P328 HydrophobicContact CG2-CG 4.27Å; P328-K331 HydrophobicContact CB-CG 4.32Å; P328-K331 HydrophobicContact CG-CG 3.9Å |
| 329 | T | 86.8 | Confident | 81.7 | Confident | 52 Ų | 52 | 64.9 Ų | 64.9 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -80.2 | -24.4 | -177.6 | -41.9 | 0 | 0 | 0 | 0 | 112.6 | L318 L327 G511 | L318-T329 PolarHBondContact O-N 3.2Å; L327-T329 PolarHBondContact O-N 3.26Å; T329-G511 WeakPolarHBondContact O-CA 3.37Å |
| 330 | L | 90.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.9 | 169.4 | -67.1 | 175.9 | 0 | 0 | 0 | 108.4 | T317 L318 I333 L356 M364 G511 | T317-L330 CarbonylContact C-O 3.58Å; T317-L330 WeakPolarHBondContact CA-O 2.74Å; L318-L330 HydrophobicContact CB-CB 4.34Å; L318-L330 HydrophobicContact CD1-CB 4.18Å; L318-L330 HydrophobicContact CD1-CD1 4.07Å; L318-L330 PolarHBondContact N-O 2.93Å; L318-L330 PolarHBondContact O-N 2.95Å; L330-I333 HydrophobicContact CB-CG1 3.97Å; L330-I333 HydrophobicContact CD2-CD1 4.36Å; L330-I333 HydrophobicContact CD2-CG1 4.38Å; L330-L356 HydrophobicContact CD1-CD1 4.42Å; L330-M364 HydrophobicContact CD1-CE 4.43Å; L330-M364 HydrophobicContact CD1-SD 4.05Å; L330-M364 HydrophobicContact CG-CE 4.45Å; L330-G511 WeakPolarHBondContact CA-O 3.35Å |
| 331 | K | 91.8 | Very high | 82.2 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.6 | -174.9 | -52.8 | 151.6 | -171.7 | 156.8 | 0 | 109.7 | P328 I333 E510 G511 E512 | P328-K331 HydrophobicContact CB-CG 4.32Å; P328-K331 HydrophobicContact CG-CG 3.9Å; K331-I333 PolarHBondContact O-N 2.94Å; K331-E510 PolarHBondContact NZ-O 3.23Å; K331-G511 PolarHBondContact N-O 3.42Å; K331-E512 HydrophobicContact CB-CG 3.86Å; K331-E512 HydrophobicContact CD-CG 3.82Å; K331-E512 WeakPolarHBondContact CD-OE1 3.44Å; K331-E512 IonicContact NZ-OE1 3.46Å; K331-E512 PolarHBondContact NZ-OE1 2.95Å |
| 332 | N | 90.4 | Very high | 83 | Confident | 99 Ų | 99 | 62 Ų | 62 | 53% | 0.529 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.6 | 36.1 | 171.7 | -160.2 | 55.7 | 0 | 0 | 0 | 115.6 | N315 A316 T317 S334 | N315-N332 VanDerWaalsContact CB-OD1 3.27Å; N315-N332 WeakPolarHBondContact CB-OD1 3.35Å; N315-N332 PolarHBondContact OD1-OD1 3.01Å; A316-N332 PolarHBondContact O-N 3.42Å; T317-N332 PolarHBondContact OG1-N 3.48Å; T317-N332 VanDerWaalsContact OG1-N 3.13Å; N332-S334 PolarHBondContact O-N 2.76Å |
| 333 | I | 93 | Very high | 84.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 126.7 | -178 | -57.3 | -62 | 0 | 0 | 0 | 109.9 | M313 N315 A316 L330 K331 F335 L356 L508 G511 V513 | M313-I333 HydrophobicContact SD-CG2 4.2Å; N315-I333 PolarHBondContact N-O 3.19Å; A316-I333 HydrophobicContact CB-CB 4.47Å; A316-I333 PolarHBondContact N-O 3.1Å; A316-I333 PolarHBondContact O-N 3.43Å; L330-I333 HydrophobicContact CB-CG1 3.97Å; L330-I333 HydrophobicContact CD2-CD1 4.36Å; L330-I333 HydrophobicContact CD2-CG1 4.38Å; K331-I333 PolarHBondContact O-N 2.94Å; I333-F335 HydrophobicContact CG2-CD1 4.04Å; I333-F335 HydrophobicContact CG2-CE1 4.41Å; I333-L356 HydrophobicContact CG2-CD1 3.85Å; I333-L508 HydrophobicContact CD1-CD2 3.94Å; I333-G511 WeakPolarHBondContact CD1-O 3.42Å; I333-V513 HydrophobicContact CD1-CG2 3.75Å; I333-V513 HydrophobicContact CG2-CG2 4.15Å |
| 334 | S | 92.4 | Very high | 85.7 | Confident | 49 Ų | 49 | 53 Ų | 53 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 120.7 | 176.7 | -77.1 | 0 | 0 | 0 | 0 | 110.3 | M313 N315 N332 | M313-S334 WeakPolarHBondContact O-CA 3.18Å; N315-S334 PolarHBondContact N-OG 3.4Å; N315-S334 PolarHBondContact OD1-OG 3.26Å; N332-S334 PolarHBondContact O-N 2.76Å |
| 335 | F | 92.6 | Very high | 87.6 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 162.6 | 171.7 | 77.7 | -85.7 | 0 | 0 | 0 | 111 | V311 M313 I333 L337 L343 L356 I490 L506 | V311-F335 HydrophobicContact CG1-CE2 4.37Å; V311-F335 HydrophobicContact CG1-CZ 4.16Å; M313-F335 HydrophobicContact CB-CD1 4.05Å; M313-F335 HydrophobicContact CB-CE1 4.04Å; M313-F335 HydrophobicContact CE-CE1 3.92Å; M313-F335 HydrophobicContact CE-CZ 4.22Å; M313-F335 HydrophobicContact CG-CD1 4.11Å; M313-F335 HydrophobicContact CG-CE1 3.57Å; M313-F335 HydrophobicContact CG-CZ 4.18Å; M313-F335 PolarHBondContact N-O 3.12Å; M313-F335 PolarHBondContact O-N 2.98Å; M313-F335 VanDerWaalsContact O-N 3.13Å; M313-F335 HydrophobicContact SD-CD1 4.42Å; M313-F335 HydrophobicContact SD-CE1 3.68Å; M313-F335 HydrophobicContact SD-CZ 4.49Å; I333-F335 HydrophobicContact CG2-CD1 4.04Å; I333-F335 HydrophobicContact CG2-CE1 4.41Å; F335-L337 HydrophobicContact CE2-CB 4.45Å; F335-L343 HydrophobicContact CD2-CD2 3.62Å; F335-L343 HydrophobicContact CE2-CD2 3.57Å; F335-L356 HydrophobicContact CE1-CD1 4.06Å; F335-L356 HydrophobicContact CE1-CD2 4.41Å; F335-I490 HydrophobicContact CE2-CD1 4.35Å; F335-I490 HydrophobicContact CZ-CD1 4.35Å; F335-L506 HydrophobicContact CB-CD1 3.68Å; F335-L506 HydrophobicContact CD1-CD1 4.12Å; F335-L506 HydrophobicContact CG-CD1 3.94Å |
| 336 | T | 91.7 | Very high | 89.3 | Confident | 80 Ų | 80 | 38.4 Ų | 38.4 | 49% | 0.491 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 128.1 | 176 | 52.7 | 0 | 0 | 0 | 0 | 110 | E312 | E312-T336 HydrophobicContact CB-CG2 4.16Å; E312-T336 HydrophobicContact CG-CG2 4.14Å |
| 337 | L | 92.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 114 | 172.8 | 175.7 | 64.1 | 0 | 0 | 0 | 109.3 | T309 A310 V311 F335 N341 L343 I490 | T309-L337 CarbonylContact C-O 3.45Å; T309-L337 WeakPolarHBondContact CA-O 3.38Å; A310-L337 HydrophobicContact CB-CD2 4.31Å; A310-L337 HydrophobicContact CB-CG 4.33Å; A310-L337 PolarHBondContact N-O 3.01Å; V311-L337 HydrophobicContact CB-CB 4.18Å; V311-L337 HydrophobicContact CB-CD2 4.36Å; V311-L337 HydrophobicContact CG2-CD2 4.22Å; V311-L337 PolarHBondContact O-N 3.25Å; F335-L337 HydrophobicContact CE2-CB 4.45Å; L337-N341 HydrophobicContact CD1-CB 4.19Å; L337-L343 HydrophobicContact CD1-CB 3.84Å; L337-I490 HydrophobicContact CD2-CD1 4.11Å; L337-I490 HydrophobicContact CD2-CG1 3.74Å |
| 338 | P | 91.5 | Very high | 90.7 | Very high | 36 Ų | 36 | 33.6 Ų | 33.6 | 23% | 0.234 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 154.8 | 170 | -19.1 | 32.8 | 0 | 0 | 0 | 112.1 | G340 N341 | P338-G340 PolarHBondContact O-N 3.31Å; P338-N341 HydrophobicContact CB-CB 4.43Å; P338-N341 PolarHBondContact O-N 2.91Å |
| 339 | K | 90.6 | Very high | 90.5 | Very high | 78 Ų | 78 | 37.9 Ų | 37.9 | 34% | 0.339 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 120.3 | 175 | -77.8 | 173.2 | 174.7 | 170.1 | 0 | 111 | N307 N308 T309 A310 D374 S488 | N307-K339 WeakPolarHBondContact O-CE 3.5Å; N307-K339 PolarHBondContact O-NZ 2.95Å; N308-K339 PolarHBondContact O-N 3.27Å; T309-K339 WeakPolarHBondContact O-CE 3.44Å; A310-K339 HydrophobicContact CB-CG 3.9Å; K339-D374 WeakPolarHBondContact CE-OD2 3.33Å; K339-D374 IonicContact NZ-OD2 2.6Å; K339-D374 PolarHBondContact NZ-OD2 3.02Å; K339-S488 WeakPolarHBondContact CA-OG 3.42Å |
| 340 | G | 89.6 | Confident | 89.9 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -1.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116 | P338 K487 S488 | P338-G340 PolarHBondContact O-N 3.31Å; G340-K487 CarbonylContact C-O 3.34Å; G340-K487 WeakPolarHBondContact CA-O 3.19Å; G340-S488 PolarHBondContact N-OG 2.99Å; G340-S488 VanDerWaalsContact N-OG 3.09Å |
| 341 | N | 92.7 | Very high | 89.6 | Confident | 45 Ų | 45 | 39.5 Ų | 39.5 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | -89.1 | 157.7 | 179 | -73 | 40.5 | 0 | 0 | 0 | 112.8 | L337 P338 I489 D503 | L337-N341 HydrophobicContact CD1-CB 4.19Å; P338-N341 HydrophobicContact CB-CB 4.43Å; P338-N341 PolarHBondContact O-N 2.91Å; N341-I489 PolarHBondContact O-N 3.14Å; N341-D503 VanDerWaalsContact CA-OD2 3.3Å; N341-D503 WeakPolarHBondContact CA-OD2 3.09Å; N341-D503 HydrophobicContact CB-CB 4.32Å | ||
| 342 | L | 94.1 | Very high | 89.3 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 110.6 | 170.4 | 172.7 | 61.2 | 0 | 0 | 0 | 110.6 | F476 I480 I489 L491 C502 D503 D504 | L342-F476 HydrophobicContact CD2-CZ 4.22Å; L342-I480 HydrophobicContact CD1-CG2 4.29Å; L342-I480 HydrophobicContact CD2-CG2 4.23Å; L342-I489 HydrophobicContact CD1-CB 3.72Å; L342-I489 HydrophobicContact CD1-CD1 4.49Å; L342-I489 HydrophobicContact CD1-CG2 3.62Å; L342-L491 HydrophobicContact CD1-CB 3.93Å; L342-L491 HydrophobicContact CD1-CD2 4.49Å; L342-C502 HydrophobicContact CG-CB 4.24Å; L342-D503 PolarHBondContact N-OD2 3.32Å; L342-D503 PolarHBondContact O-N 2.86Å; L342-D504 PolarHBondContact O-N 3.03Å |
| 343 | L | 95 | Very high | 89.3 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.4 | 174.6 | 172.8 | 63.9 | 0 | 0 | 0 | 110.7 | F335 L337 V345 I489 I490 L491 D504 L506 | F335-L343 HydrophobicContact CD2-CD2 3.62Å; F335-L343 HydrophobicContact CE2-CD2 3.57Å; L337-L343 HydrophobicContact CD1-CB 3.84Å; L343-V345 HydrophobicContact CG-CG2 4.34Å; L343-I489 PolarHBondContact N-O 3.16Å; L343-I490 HydrophobicContact CD2-CG1 4.39Å; L343-I490 WeakPolarHBondContact O-CA 3.28Å; L343-L491 PolarHBondContact O-N 3.08Å; L343-D504 WeakPolarHBondContact CA-O 3.33Å; L343-D504 HydrophobicContact CD1-CB 3.87Å; L343-L506 HydrophobicContact CD1-CB 4.18Å |
| 344 | G | 94 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 140 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L491 D504 I505 L506 | G344-L491 CarbonylContact C-O 3.29Å; G344-L491 WeakPolarHBondContact CA-O 3.47Å; G344-D504 PolarHBondContact N-O 2.74Å; G344-I505 CarbonylContact O-C 3.59Å; G344-I505 WeakPolarHBondContact O-CA 3.5Å; G344-L506 PolarHBondContact O-N 3.19Å |
| 345 | V | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 118.1 | 178.5 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | L343 K353 L356 I490 L491 V492 T493 L506 L508 | L343-V345 HydrophobicContact CG-CG2 4.34Å; V345-K353 HydrophobicContact CG1-CG 4.4Å; V345-L356 HydrophobicContact CG1-CD2 4.23Å; V345-L356 HydrophobicContact CG2-CD2 4.32Å; V345-I490 HydrophobicContact CG2-CG2 3.93Å; V345-L491 PolarHBondContact N-O 2.74Å; V345-V492 HydrophobicContact CB-CG2 3.86Å; V345-V492 HydrophobicContact CG1-CG2 4.05Å; V345-V492 HydrophobicContact CG2-CG2 4.49Å; V345-T493 PolarHBondContact O-N 3.02Å; V345-L506 WeakPolarHBondContact CA-O 3.32Å; V345-L506 HydrophobicContact CG1-CD2 4.21Å; V345-L508 HydrophobicContact CG1-CD1 3.85Å |
| 346 | C | 90.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 173.5 | -172 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | L496 L499 L506 L508 | C346-L496 HydrophobicContact CB-CD2 4.47Å; C346-L499 HydrophobicContact CB-CD1 3.52Å; C346-L499 HydrophobicContact CB-CD2 4.46Å; C346-L506 PolarHBondContact N-O 3.36Å; C346-L508 PolarHBondContact O-N 3.19Å |
| 347 | G | 86.8 | Confident | 89.1 | Confident | 12 Ų | 12 | 29.2 Ų | 29.2 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | trans | 132.6 | 173.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | K353 | G347-K353 PolarHBondContact O-NZ 3.3Š| ||
| 348 | N | 80.9 | Confident | 89 | Confident | 82 Ų | 82 | 29.5 Ų | 29.5 | 44% | 0.439 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -61.3 | 163.9 | -170.9 | -71.4 | 17.9 | 0 | 0 | 0 | 114.1 | G350 S351 K353 | N348-G350 PolarHBondContact O-N 2.85Å; N348-S351 WeakPolarHBondContact O-CB 3.48Å; N348-S351 PolarHBondContact O-N 3.03Å; N348-S351 PolarHBondContact O-OG 2.76Å; N348-S351 VanDerWaalsContact O-OG 3.13Å; N348-K353 PolarHBondContact O-NZ 2.97Å |
| 349 | V | 78.1 | Confident | 89 | Confident | 128 Ų | 128 | 27.8 Ų | 27.8 | 78% | 0.776 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 135.4 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | S351 | V349-S351 VanDerWaalsContact C-N 3.35Å; V349-S351 PolarHBondContact O-N 2.92Å |
| 350 | G | 75.3 | Confident | 89 | Confident | 77 Ų | 77 | 24.1 Ų | 24.1 | 79% | 0.794 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -8.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | N348 G352 | N348-G350 PolarHBondContact O-N 2.85Å; G350-G352 PolarHBondContact O-N 3.26Å |
| 351 | S | 83.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 23.4 Ų | 23.4 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -69.3 | 6.1 | -172.6 | 76.9 | 0 | 0 | 0 | 0 | 117.2 | N348 V349 L508 G511 | N348-S351 WeakPolarHBondContact O-CB 3.48Å; N348-S351 PolarHBondContact O-N 3.03Å; N348-S351 PolarHBondContact O-OG 2.76Å; N348-S351 VanDerWaalsContact O-OG 3.13Å; V349-S351 VanDerWaalsContact C-N 3.35Å; V349-S351 PolarHBondContact O-N 2.92Å; S351-L508 WeakPolarHBondContact CB-O 3.45Å; S351-L508 PolarHBondContact OG-O 3.18Å; S351-G511 PolarHBondContact O-N 3.15Å |
| 352 | G | 85.3 | Confident | 88.7 | Confident | 9 Ų | 9 | 22 Ų | 22 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 99.6 | -0.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116 | G350 T354 S355 L356 | G350-G352 PolarHBondContact O-N 3.26Å; G352-T354 PolarHBondContact O-N 2.93Å; G352-S355 VanDerWaalsContact O-CA 3.31Å; G352-S355 WeakPolarHBondContact O-CA 3.43Å; G352-S355 WeakPolarHBondContact O-CB 3.4Å; G352-S355 PolarHBondContact O-N 2.92Å; G352-L356 PolarHBondContact O-N 3.25Å; G352-L356 VanDerWaalsContact O-N 3.1Å |
| 353 | K | 89.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 22.5 Ų | 22.5 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -47.4 | -56.4 | -174.8 | -56.1 | -168.2 | -64 | -78.1 | 0 | 114.8 | V345 G347 N348 S355 L356 V492 H494 L508 | V345-K353 HydrophobicContact CG1-CG 4.4Å; G347-K353 PolarHBondContact O-NZ 3.3Å; N348-K353 PolarHBondContact O-NZ 2.97Å; K353-S355 PolarHBondContact O-N 3.23Å; K353-L356 VanDerWaalsContact O-CB 3.23Å; K353-L356 WeakPolarHBondContact O-CB 3.41Å; K353-L356 PolarHBondContact O-N 2.74Å; K353-V492 HydrophobicContact CB-CG1 3.78Å; K353-V492 HydrophobicContact CB-CG2 4.28Å; K353-V492 HydrophobicContact CD-CG1 4.18Å; K353-H494 WeakPolarHBondContact CE-NE2 2.94Å; K353-H494 PolarHBondContact NZ-CE1 3.41Å; K353-H494 PolarHBondContact NZ-NE2 3.43Å; K353-L508 HydrophobicContact CB-CD1 4.38Å; K353-L508 HydrophobicContact CG-CB 4.42Å; K353-L508 HydrophobicContact CG-CD1 4.06Å |
| 354 | T | 90.2 | Very high | 88 | Confident | 51 Ų | 51 | 22 Ų | 22 | 31% | 0.313 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.3 | -23.5 | 177.2 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | G352 L356 I357 S358 D461 | G352-T354 PolarHBondContact O-N 2.93Å; T354-L356 VanDerWaalsContact C-N 3.3Å; T354-I357 PolarHBondContact O-N 3.01Å; T354-S358 WeakPolarHBondContact O-CB 3.5Å; T354-S358 PolarHBondContact O-N 3.03Å; T354-S358 PolarHBondContact O-OG 2.94Å; T354-D461 WeakPolarHBondContact CB-OD1 3.39Å; T354-D461 WeakPolarHBondContact CG2-OD1 3.06Å; T354-D461 WeakPolarHBondContact CG2-OD2 3.26Å; T354-D461 PolarHBondContact OG1-OD1 3.29Å |
| 355 | S | 90.9 | Very high | 87.7 | Confident | 15 Ų | 15 | 23.1 Ų | 23.1 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.9 | -31.4 | 171.4 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | W320 G352 K353 I357 S358 S359 M364 | W320-S355 PolarHBondContact NE1-OG 3.19Å; G352-S355 VanDerWaalsContact O-CA 3.31Å; G352-S355 WeakPolarHBondContact O-CA 3.43Å; G352-S355 WeakPolarHBondContact O-CB 3.4Å; G352-S355 PolarHBondContact O-N 2.92Å; K353-S355 PolarHBondContact O-N 3.23Å; S355-I357 VanDerWaalsContact C-N 3.34Å; S355-I357 PolarHBondContact O-N 3.42Å; S355-S358 PolarHBondContact O-N 3.12Å; S355-S359 PolarHBondContact O-N 2.74Å; S355-M364 VanDerWaalsContact O-SD 3.33Å |
| 356 | L | 92.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 175.1 | -169.9 | 69 | 0 | 0 | 0 | 112.4 | M313 L330 I333 F335 V345 G352 K353 T354 S359 I360 L506 L508 | M313-L356 HydrophobicContact CE-CD1 4.2Å; M313-L356 HydrophobicContact SD-CD1 4.11Å; L330-L356 HydrophobicContact CD1-CD1 4.42Å; I333-L356 HydrophobicContact CG2-CD1 3.85Å; F335-L356 HydrophobicContact CE1-CD1 4.06Å; F335-L356 HydrophobicContact CE1-CD2 4.41Å; V345-L356 HydrophobicContact CG1-CD2 4.23Å; V345-L356 HydrophobicContact CG2-CD2 4.32Å; G352-L356 PolarHBondContact O-N 3.25Å; G352-L356 VanDerWaalsContact O-N 3.1Å; K353-L356 VanDerWaalsContact O-CB 3.23Å; K353-L356 WeakPolarHBondContact O-CB 3.41Å; K353-L356 PolarHBondContact O-N 2.74Å; T354-L356 VanDerWaalsContact C-N 3.3Å; L356-S359 PolarHBondContact O-OG 2.79Å; L356-I360 WeakPolarHBondContact O-CG1 3.38Å; L356-L506 HydrophobicContact CD2-CD2 4.33Å; L356-L508 HydrophobicContact CB-CD1 4.34Å; L356-L508 HydrophobicContact CD2-CD1 4.18Å |
| 357 | I | 92.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.7 | -39 | 172.2 | -67.1 | 175.3 | 0 | 0 | 0 | 110.4 | T354 S355 S359 I360 L361 Y379 L459 D461 V492 | T354-I357 PolarHBondContact O-N 3.01Å; S355-I357 VanDerWaalsContact C-N 3.34Å; S355-I357 PolarHBondContact O-N 3.42Å; I357-S359 VanDerWaalsContact C-N 3.3Å; I357-S359 PolarHBondContact O-N 3.15Å; I357-I360 PolarHBondContact O-N 2.96Å; I357-L361 HydrophobicContact CG2-CD1 4.22Å; I357-L361 PolarHBondContact O-N 3.04Å; I357-L361 VanDerWaalsContact O-N 3.15Å; I357-Y379 HydrophobicContact CG2-CD2 3.98Å; I357-Y379 HydrophobicContact CG2-CE2 3.61Å; I357-L459 HydrophobicContact CG2-CB 4.06Å; I357-L459 HydrophobicContact CG2-CD1 4.25Å; I357-D461 HydrophobicContact CD1-CB 3.73Å; I357-V492 HydrophobicContact CD1-CB 4.23Å; I357-V492 HydrophobicContact CD1-CG2 3.66Å; I357-V492 HydrophobicContact CG1-CG2 4.22Å |
| 358 | S | 90.5 | Very high | 87.4 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -27.3 | 178.7 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | W320 T354 S355 E362 Q363 | W320-S358 VanDerWaalsContact CH2-CB 3.46Å; T354-S358 WeakPolarHBondContact O-CB 3.5Å; T354-S358 PolarHBondContact O-N 3.03Å; T354-S358 PolarHBondContact O-OG 2.94Å; S355-S358 PolarHBondContact O-N 3.12Å; S358-E362 PolarHBondContact O-N 3.17Å; S358-Q363 WeakPolarHBondContact O-CA 3.49Å; S358-Q363 WeakPolarHBondContact O-CB 3.38Å; S358-Q363 PolarHBondContact O-N 3.14Å |
| 359 | S | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.9 | -38.2 | 171.9 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | Y300 M313 S355 L356 I357 L361 E362 | Y300-S359 PolarHBondContact OH-O 2.87Å; M313-S359 WeakPolarHBondContact CE-OG 3.43Å; S355-S359 PolarHBondContact O-N 2.74Å; L356-S359 PolarHBondContact O-OG 2.79Å; I357-S359 VanDerWaalsContact C-N 3.3Å; I357-S359 PolarHBondContact O-N 3.15Å; S359-L361 VanDerWaalsContact C-N 3.28Å; S359-L361 PolarHBondContact O-N 2.81Å; S359-E362 WeakPolarHBondContact O-CA 3.47Å; S359-E362 PolarHBondContact O-N 3.33Å |
| 360 | I | 91.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -36.5 | 173.7 | -60.1 | 169.7 | 0 | 0 | 0 | 110.9 | V311 M313 L356 I357 E362 F377 L459 I490 | V311-I360 HydrophobicContact CG1-CD1 4.29Å; V311-I360 HydrophobicContact CG1-CG1 4.46Å; M313-I360 HydrophobicContact CE-CD1 4.05Å; M313-I360 HydrophobicContact CE-CG1 3.35Å; L356-I360 WeakPolarHBondContact O-CG1 3.38Å; I357-I360 PolarHBondContact O-N 2.96Å; I360-E362 PolarHBondContact O-N 3.29Å; I360-F377 HydrophobicContact CG2-CD1 4.28Å; I360-F377 HydrophobicContact CG2-CE1 3.53Å; I360-F377 HydrophobicContact CG2-CZ 3.74Å; I360-L459 HydrophobicContact CB-CD1 4.37Å; I360-L459 HydrophobicContact CD1-CD2 4.01Å; I360-L459 HydrophobicContact CG2-CD1 3.91Å; I360-L459 HydrophobicContact CG2-CD2 4.42Å; I360-I490 HydrophobicContact CD1-CD1 3.59Å |
| 361 | L | 88.8 | Confident | 89.1 | Confident | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 4.9 | 175.4 | -63.4 | 177.2 | 0 | 0 | 0 | 114.1 | R85 I357 S359 Q363 Y379 L459 A848 | R85-L361 PolarHBondContact NH1-O 3.31Å; I357-L361 HydrophobicContact CG2-CD1 4.22Å; I357-L361 PolarHBondContact O-N 3.04Å; I357-L361 VanDerWaalsContact O-N 3.15Å; S359-L361 VanDerWaalsContact C-N 3.28Å; S359-L361 PolarHBondContact O-N 2.81Å; L361-Q363 VanDerWaalsContact C-N 3.29Å; L361-Q363 HydrophobicContact CB-CG 3.85Å; L361-Q363 PolarHBondContact O-N 3.46Å; L361-Y379 HydrophobicContact CD1-CD1 3.83Å; L361-Y379 HydrophobicContact CD1-CD2 4.28Å; L361-Y379 HydrophobicContact CD1-CE1 3.96Å; L361-Y379 HydrophobicContact CD1-CE2 4.42Å; L361-Y379 HydrophobicContact CD1-CG 4Å; L361-L459 HydrophobicContact CD2-CD1 3.93Å; L361-L459 HydrophobicContact CG-CD1 4.21Å; L361-A848 HydrophobicContact CD2-CB 3.93Å |
| 362 | E | 87.7 | Confident | 89.5 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 35.9 | -175.5 | -44.1 | 174.1 | 96.1 | 0 | 0 | 114 | R85 P299 Y300 L301 S358 S359 I360 | R85-E362 WeakPolarHBondContact CD-O 3.4Å; R85-E362 IonicContact CZ-OE2 2.78Å; R85-E362 IonicContact NH1-OE2 2.68Å; R85-E362 PolarHBondContact NH1-OE2 3.26Å; R85-E362 IonicContact NH2-OE2 3.94Å; R85-E362 PolarHBondContact NH2-OE2 3.43Å; P299-E362 WeakPolarHBondContact CA-OE1 3.29Å; P299-E362 WeakPolarHBondContact CB-OE1 3.43Å; Y300-E362 HydrophobicContact CE1-CB 4.49Å; Y300-E362 HydrophobicContact CE2-CB 4.45Å; Y300-E362 HydrophobicContact CE2-CG 4.25Å; Y300-E362 PolarHBondContact N-OE1 2.76Å; Y300-E362 WeakPolarHBondContact OH-CA 3.47Å; L301-E362 HydrophobicContact CB-CG 3.77Å; L301-E362 WeakPolarHBondContact CB-OE1 3.47Å; L301-E362 PolarHBondContact N-OE1 3.02Å; L301-E362 VanDerWaalsContact N-OE1 3.08Å; S358-E362 PolarHBondContact O-N 3.17Å; S359-E362 WeakPolarHBondContact O-CA 3.47Å; S359-E362 PolarHBondContact O-N 3.33Å; I360-E362 PolarHBondContact O-N 3.29Å |
| 363 | Q | 86.6 | Confident | 89.8 | Confident | 27 Ų | 27 | 28.2 Ų | 28.2 | 13% | 0.126 | 15% | 0.151 | C | C | . | . | trans | -93.3 | -3.3 | 178.5 | -50.5 | -168.7 | -87.8 | 0 | 0 | 113.6 | R85 V86 W320 S358 L361 | R85-Q363 PolarHBondContact O-NE2 3.31Å; V86-Q363 WeakPolarHBondContact CG2-O 3.31Å; W320-Q363 HydrophobicContact CZ3-CB 4.35Å; S358-Q363 WeakPolarHBondContact O-CA 3.49Å; S358-Q363 WeakPolarHBondContact O-CB 3.38Å; S358-Q363 PolarHBondContact O-N 3.14Å; L361-Q363 VanDerWaalsContact C-N 3.29Å; L361-Q363 HydrophobicContact CB-CG 3.85Å; L361-Q363 PolarHBondContact O-N 3.46Å | ||
| 364 | M | 87.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -112.5 | 163.6 | 171.7 | -61.6 | -178.7 | 76.6 | 0 | 0 | 109.9 | Y300 L318 W320 L330 S355 | Y300-M364 WeakPolarHBondContact CE1-O 3.2Å; Y300-M364 PolarHBondContact OH-O 3.21Å; L318-M364 HydrophobicContact CB-CB 4.13Å; L318-M364 HydrophobicContact CB-CE 3.88Å; L318-M364 HydrophobicContact CB-SD 4.23Å; L318-M364 HydrophobicContact CD2-CB 3.99Å; W320-M364 HydrophobicContact CD2-CE 4.3Å; W320-M364 HydrophobicContact CD2-CG 4.03Å; W320-M364 HydrophobicContact CE3-CG 3.92Å; W320-M364 HydrophobicContact CG-CE 4.29Å; W320-M364 HydrophobicContact CH2-CG 4.17Å; W320-M364 HydrophobicContact CZ2-CG 4.23Å; W320-M364 HydrophobicContact CZ2-SD 4.31Å; W320-M364 HydrophobicContact CZ3-CG 3.99Å; L330-M364 HydrophobicContact CD1-CE 4.43Å; L330-M364 HydrophobicContact CD1-SD 4.05Å; L330-M364 HydrophobicContact CG-CE 4.45Å; S355-M364 VanDerWaalsContact O-SD 3.33Å |
| 365 | H | 87.1 | Confident | 89.6 | Confident | 23 Ų | 23 | 27.4 Ų | 27.4 | 11% | 0.106 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.9 | 169.1 | -66.1 | -78.9 | 0 | 0 | 0 | 110 | L318 S319 | L318-H365 VanDerWaalsContact CA-O 3.29Å; L318-H365 WeakPolarHBondContact CA-O 3.48Å; S319-H365 PolarHBondContact N-O 2.92Å; S319-H365 PolarHBondContact O-N 3.4Å |
| 366 | L | 88.6 | Confident | 89.6 | Confident | 43 Ų | 43 | 30 Ų | 30 | 23% | 0.225 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.9 | 168.4 | -174.3 | 66.8 | 0 | 0 | 0 | 109.1 | Y300 A316 L318 R368 I371 | Y300-L366 HydrophobicContact CD1-CB 3.53Å; Y300-L366 HydrophobicContact CD1-CD2 4.4Å; Y300-L366 HydrophobicContact CD2-CB 4.11Å; Y300-L366 HydrophobicContact CD2-CD2 3.94Å; Y300-L366 HydrophobicContact CE1-CB 3.73Å; Y300-L366 HydrophobicContact CE2-CB 4.28Å; Y300-L366 HydrophobicContact CG-CB 3.73Å; Y300-L366 HydrophobicContact CG-CD2 3.76Å; Y300-L366 HydrophobicContact CG-CG 4.39Å; A316-L366 HydrophobicContact CB-CD1 4.15Å; L318-L366 HydrophobicContact CD1-CD1 4.38Å; L318-L366 HydrophobicContact CD2-CB 4.12Å; L318-L366 HydrophobicContact CD2-CD1 3.96Å; L318-L366 HydrophobicContact CG-CD1 3.87Å; L366-R368 WeakPolarHBondContact CD1-O 3.45Å; L366-I371 HydrophobicContact CD1-CD1 4.23Å; L366-I371 HydrophobicContact CD1-CG1 4.49Å |
| 367 | L | 88.1 | Confident | 89.6 | Confident | 88 Ų | 88 | 30.9 Ų | 30.9 | 46% | 0.461 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -35.3 | -179.7 | -57.5 | 178.4 | 0 | 0 | 0 | 112 | T317 | T317-L367 WeakPolarHBondContact O-CB 3.25Å; T317-L367 PolarHBondContact O-N 3.18Å |
| 368 | R | 88 | Confident | 89.6 | Confident | 196 Ų | 196 | 30.9 Ų | 30.9 | 74% | 0.74 | 17% | 0.168 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 157.7 | 177.1 | -63.9 | -174.1 | 178 | 174 | -0.8 | 109.9 | A316 T317 L366 | A316-R368 WeakPolarHBondContact CA-O 3.2Å; T317-R368 PolarHBondContact N-O 3.17Å; T317-R368 PolarHBondContact O-N 2.97Å; L366-R368 WeakPolarHBondContact CD1-O 3.45Å |
| 369 | G | 89.4 | Confident | 89.8 | Confident | 44 Ų | 44 | 31 Ų | 31 | 45% | 0.454 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.4 | -170 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R314 | R314-G369 CarbonylContact O-C 3.59Å; R314-G369 WeakPolarHBondContact O-CA 3.29Å |
| 370 | S | 90.6 | Very high | 90 | Very high | 41 Ų | 41 | 31 Ų | 31 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 154.8 | 173.8 | 64.5 | 0 | 0 | 0 | 0 | 111.7 | R314 | R314-S370 PolarHBondContact N-O 3.31Å; R314-S370 PolarHBondContact O-N 2.63Å |
| 371 | I | 91.5 | Very high | 90 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 123.9 | 178.8 | -56.9 | 178.4 | 0 | 0 | 0 | 108.4 | Y300 L301 E302 E312 M313 A316 L318 L366 | Y300-I371 HydrophobicContact CD2-CB 4.42Å; Y300-I371 HydrophobicContact CD2-CD1 4.2Å; Y300-I371 HydrophobicContact CE2-CD1 3.85Å; L301-I371 HydrophobicContact CD1-CG2 3.71Å; E302-I371 PolarHBondContact N-O 2.96Å; E302-I371 VanDerWaalsContact N-O 3.11Å; E312-I371 WeakPolarHBondContact O-CA 3.32Å; M313-I371 HydrophobicContact CE-CD1 4.07Å; M313-I371 HydrophobicContact CE-CG2 4.17Å; M313-I371 HydrophobicContact CG-CD1 4.4Å; M313-I371 HydrophobicContact CG-CG1 3.99Å; M313-I371 HydrophobicContact CG-CG2 4.12Å; M313-I371 HydrophobicContact SD-CD1 3.91Å; M313-I371 HydrophobicContact SD-CG1 4.15Å; A316-I371 HydrophobicContact CB-CD1 4.24Å; A316-I371 HydrophobicContact CB-CG1 4.13Å; L318-I371 HydrophobicContact CD1-CD1 4.36Å; L318-I371 HydrophobicContact CD2-CD1 4.21Å; L366-I371 HydrophobicContact CD1-CD1 4.23Å; L366-I371 HydrophobicContact CD1-CG1 4.49Å |
| 372 | T | 91.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.6 | -179.8 | 44 | 0 | 0 | 0 | 0 | 109.9 | E302 R304 V311 E312 | E302-T372 HydrophobicContact CB-CG2 3.85Å; E302-T372 WeakPolarHBondContact O-CA 3.45Å; R304-T372 HydrophobicContact CG-CG2 4.19Å; V311-T372 WeakPolarHBondContact CA-O 3.29Å; E312-T372 VanDerWaalsContact CB-OG1 3.25Å; E312-T372 WeakPolarHBondContact CB-OG1 3.1Å; E312-T372 WeakPolarHBondContact CG-OG1 3.49Å; E312-T372 PolarHBondContact N-O 3.01Å; E312-T372 PolarHBondContact O-N 3.3Å; E312-T372 PolarHBondContact O-OG1 3.16Å; E312-T372 PolarHBondContact OE2-OG1 2.89Å; E312-T372 VanDerWaalsContact OE2-OG1 3.06Å |
| 373 | A | 90.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 157 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L301 E302 Q303 R304 A310 V311 F377 I457 | L301-A373 HydrophobicContact CD1-CB 3.8Å; L301-A373 HydrophobicContact CD2-CB 4.48Å; L301-A373 HydrophobicContact CG-CB 4.38Å; E302-A373 PolarHBondContact O-N 3.1Å; E302-A373 VanDerWaalsContact O-N 3.1Å; Q303-A373 WeakPolarHBondContact CA-O 3.29Å; R304-A373 PolarHBondContact N-O 3.27Å; A310-A373 CarbonylContact O-C 3.52Å; A310-A373 WeakPolarHBondContact O-CA 3.35Å; A310-A373 WeakPolarHBondContact O-CB 3.5Å; V311-A373 HydrophobicContact CG2-CB 4.29Å; A373-F377 HydrophobicContact CB-CE1 4.49Å; A373-F377 HydrophobicContact CB-CZ 3.86Å; A373-I457 HydrophobicContact CB-CD1 4.41Å |
| 374 | D | 89.8 | Confident | 89.8 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | trans | -136.9 | 113.9 | 175.9 | -169 | 27.8 | 0 | 0 | 0 | 112.5 | R304 A310 K339 | R304-D374 WeakPolarHBondContact O-CB 3.49Å; A310-D374 PolarHBondContact O-N 3.45Å; K339-D374 WeakPolarHBondContact CE-OD2 3.33Å; K339-D374 IonicContact NZ-OD2 2.6Å; K339-D374 PolarHBondContact NZ-OD2 3.02Å | ||
| 375 | G | 86.8 | Confident | 89.8 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 128.5 | -170.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 376 | T | 90.6 | Very high | 89.9 | Confident | 68 Ų | 68 | 41.7 Ų | 41.7 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | trans | -105.2 | 146.1 | 174.9 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | K455 D456 I457 | T376-K455 WeakPolarHBondContact O-CB 3.43Å; T376-K455 WeakPolarHBondContact OG1-CB 3.21Å; T376-D456 WeakPolarHBondContact CB-OD2 3.36Å; T376-D456 PolarHBondContact N-OD2 3.19Å; T376-D456 PolarHBondContact O-N 2.95Å; T376-D456 PolarHBondContact OG1-N 3.43Å; T376-D456 PolarHBondContact OG1-OD2 2.94Å; T376-I457 PolarHBondContact O-N 3.05Å | ||
| 377 | F | 92.1 | Very high | 89.6 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.5 | -177.4 | -59.2 | -73.1 | 0 | 0 | 0 | 112.7 | L301 I360 A373 I457 L459 | L301-F377 HydrophobicContact CD2-CE2 3.72Å; L301-F377 HydrophobicContact CD2-CZ 3.88Å; I360-F377 HydrophobicContact CG2-CD1 4.28Å; I360-F377 HydrophobicContact CG2-CE1 3.53Å; I360-F377 HydrophobicContact CG2-CZ 3.74Å; A373-F377 HydrophobicContact CB-CE1 4.49Å; A373-F377 HydrophobicContact CB-CZ 3.86Å; F377-I457 CarbonylContact C-O 3.54Å; F377-I457 WeakPolarHBondContact CA-O 3.34Å; F377-I457 HydrophobicContact CD1-CB 3.79Å; F377-I457 HydrophobicContact CD1-CD1 4.13Å; F377-I457 HydrophobicContact CD1-CG2 3.83Å; F377-I457 HydrophobicContact CE1-CB 4.1Å; F377-I457 HydrophobicContact CE1-CD1 3.62Å; F377-I457 HydrophobicContact CE1-CG1 4.46Å; F377-I457 HydrophobicContact CE1-CG2 3.96Å; F377-I457 HydrophobicContact CZ-CD1 4.24Å; F377-L459 HydrophobicContact CD1-CD1 3.79Å; F377-L459 HydrophobicContact CD1-CG 4.22Å; F377-L459 HydrophobicContact CE1-CD1 4.37Å; F377-L459 HydrophobicContact CG-CD1 4.35Å |
| 378 | A | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | A450 K455 I457 F458 L459 Y849 | A378-A450 HydrophobicContact CB-CB 4.09Å; A378-K455 HydrophobicContact CB-CB 3.86Å; A378-K455 HydrophobicContact CB-CG 3.94Å; A378-I457 PolarHBondContact N-O 3.28Å; A378-F458 HydrophobicContact CB-CD1 3.8Å; A378-F458 HydrophobicContact CB-CE1 3.75Å; A378-F458 HydrophobicContact CB-CG 4.28Å; A378-F458 HydrophobicContact CB-CZ 4.18Å; A378-L459 PolarHBondContact O-N 3.49Å; A378-Y849 HydrophobicContact CB-CE1 3.92Å |
| 379 | Y | 94.6 | Very high | 89 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.2 | 179.6 | 176.6 | -133.2 | 0 | 0 | 0 | 111 | I357 L361 S381 L459 D461 Y849 | I357-Y379 HydrophobicContact CG2-CD2 3.98Å; I357-Y379 HydrophobicContact CG2-CE2 3.61Å; L361-Y379 HydrophobicContact CD1-CD1 3.83Å; L361-Y379 HydrophobicContact CD1-CD2 4.28Å; L361-Y379 HydrophobicContact CD1-CE1 3.96Å; L361-Y379 HydrophobicContact CD1-CE2 4.42Å; L361-Y379 HydrophobicContact CD1-CG 4Å; Y379-S381 WeakPolarHBondContact OH-CB 3.44Å; Y379-L459 HydrophobicContact CD2-CB 4.01Å; Y379-L459 WeakPolarHBondContact CD2-O 3.34Å; Y379-D461 HydrophobicContact CE2-CB 4Å; Y379-Y849 PolarHBondContact N-OH 2.84Å; Y379-Y849 VanDerWaalsContact N-OH 3.1Å; Y379-Y849 PolarHBondContact O-OH 3.07Å |
| 380 | V | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.3 | 167.5 | -177 | 0 | 0 | 0 | 0 | 107.2 | L447 A450 L459 L460 D461 P463 | V380-L447 HydrophobicContact CG2-CD1 4.12Å; V380-A450 HydrophobicContact CG2-CB 3.54Å; V380-L459 PolarHBondContact N-O 3.22Å; V380-L460 HydrophobicContact CB-CD2 3.91Å; V380-L460 HydrophobicContact CG2-CD2 3.65Å; V380-D461 VanDerWaalsContact O-CB 3.3Å; V380-D461 WeakPolarHBondContact O-CB 3.31Å; V380-D461 PolarHBondContact O-N 3.01Å; V380-P463 HydrophobicContact CG1-CB 4.09Å |
| 381 | S | 90.9 | Very high | 89 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | trans | -87.7 | 144.5 | -179.9 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | Y379 Q383 A384 | Y379-S381 WeakPolarHBondContact OH-CB 3.44Å; S381-Q383 VanDerWaalsContact C-N 3.29Å; S381-Q383 WeakPolarHBondContact CB-O 3.38Å; S381-Q383 CarbonylContact O-C 3.53Å; S381-Q383 PolarHBondContact O-N 3.13Å; S381-Q383 PolarHBondContact OG-O 2.79Å; S381-A384 PolarHBondContact O-N 3.4Å | ||
| 382 | Q | 87.8 | Confident | 89 | Confident | 80 Ų | 80 | 31.9 Ų | 31.9 | 37% | 0.374 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -51.1 | -49.2 | 178.4 | -175.4 | -178.2 | 51.7 | 0 | 0 | 111.5 | A384 Q443 D461 D462 | Q382-A384 PolarHBondContact O-N 2.95Å; Q382-Q443 PolarHBondContact O-NE2 3.43Å; Q382-D461 WeakPolarHBondContact CA-O 3.38Å; Q382-D461 WeakPolarHBondContact CB-O 3.29Å; Q382-D461 VanDerWaalsContact CB-OD2 3.27Å; Q382-D461 WeakPolarHBondContact CB-OD2 3.42Å; Q382-D461 PolarHBondContact N-O 2.77Å; Q382-D461 VanDerWaalsContact N-O 3.15Å; Q382-D461 PolarHBondContact N-OD2 2.87Å; Q382-D462 HydrophobicContact CG-CB 4.31Å; Q382-D462 PolarHBondContact NE2-OD2 2.88Å |
| 383 | Q | 83.6 | Confident | 89 | Confident | 173 Ų | 173 | 36.4 Ų | 36.4 | 81% | 0.808 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -82.5 | 101.8 | 162.6 | -65.4 | -169 | 8.5 | 0 | 0 | 109.7 | S381 W385 | S381-Q383 VanDerWaalsContact C-N 3.29Å; S381-Q383 WeakPolarHBondContact CB-O 3.38Å; S381-Q383 CarbonylContact O-C 3.53Å; S381-Q383 PolarHBondContact O-N 3.13Å; S381-Q383 PolarHBondContact OG-O 2.79Å; Q383-W385 PolarHBondContact O-N 3.4Å |
| 384 | A | 86.8 | Confident | 89 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | trans | -63.6 | 117.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S381 Q382 I386 K442 Q443 | S381-A384 PolarHBondContact O-N 3.4Å; Q382-A384 PolarHBondContact O-N 2.95Å; A384-I386 PolarHBondContact O-N 3.49Å; A384-K442 VanDerWaalsContact CB-C 3.43Å; A384-K442 HydrophobicContact CB-CB 3.82Å; A384-K442 WeakPolarHBondContact CB-O 3.4Å; A384-Q443 HydrophobicContact CB-CG 4.14Å | ||
| 385 | W | 89.6 | Confident | 89.2 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | trans | -79.1 | 118.7 | 179.7 | 178.4 | 68.4 | 0 | 0 | 0 | 112.3 | Q383 F387 M397 R449 S838 T845 I846 | Q383-W385 PolarHBondContact O-N 3.4Å; W385-F387 HydrophobicContact CE3-CD1 4.39Å; W385-F387 HydrophobicContact CH2-CB 4.26Å; W385-F387 AromaticContact CH2-CD1 3.7Å; W385-F387 HydrophobicContact CH2-CD1 3.7Å; W385-F387 HydrophobicContact CH2-CE1 4.48Å; W385-F387 HydrophobicContact CH2-CG 4.33Å; W385-F387 HydrophobicContact CZ2-CB 3.95Å; W385-F387 HydrophobicContact CZ2-CD1 4.23Å; W385-F387 AromaticContact CZ3-CD1 3.79Å; W385-F387 HydrophobicContact CZ3-CD1 3.79Å; W385-F387 HydrophobicContact CZ3-CE1 4.35Å; W385-M397 HydrophobicContact CE3-CE 4.46Å; W385-M397 HydrophobicContact CZ3-CE 3.71Å; W385-R449 VanDerWaalsContact O-CZ 3.29Å; W385-R449 PolarHBondContact O-NH1 3.21Å; W385-R449 PolarHBondContact O-NH2 2.87Å; W385-S838 WeakPolarHBondContact CZ2-O 3.45Å; W385-S838 PolarHBondContact NE1-O 3.47Å; W385-T845 HydrophobicContact CE3-CG2 3.95Å; W385-T845 HydrophobicContact CZ3-CG2 4.43Å; W385-I846 HydrophobicContact CH2-CD1 3.82Å; W385-I846 HydrophobicContact CH2-CG1 3.83Å; W385-I846 HydrophobicContact CZ2-CD1 3.99Å; W385-I846 HydrophobicContact CZ2-CG1 4.42Å; W385-I846 HydrophobicContact CZ3-CG1 4.23Å | ||
| 386 | I | 88.1 | Confident | 89.5 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | trans | -123.7 | 125.9 | 177.9 | -56.2 | -64.1 | 0 | 0 | 0 | 108.8 | A384 I430 K442 I445 | A384-I386 PolarHBondContact O-N 3.49Å; I386-I430 HydrophobicContact CG2-CB 4.41Å; I386-I430 HydrophobicContact CG2-CD1 4.06Å; I386-I430 HydrophobicContact CG2-CG2 3.7Å; I386-K442 HydrophobicContact CG1-CB 4.11Å; I386-K442 HydrophobicContact CG1-CG 4.14Å; I386-I445 HydrophobicContact CD1-CB 4.08Å; I386-I445 HydrophobicContact CD1-CG2 3.66Å | ||
| 387 | F | 83.4 | Confident | 89.3 | Confident | 36 Ų | 36 | 32.6 Ų | 32.6 | 16% | 0.158 | 16% | 0.161 | C | C | . | . | trans | -99.7 | 160.2 | 179.5 | 62.6 | -97.3 | 0 | 0 | 0 | 111.4 | W385 G389 E393 N394 M397 | W385-F387 HydrophobicContact CE3-CD1 4.39Å; W385-F387 HydrophobicContact CH2-CB 4.26Å; W385-F387 AromaticContact CH2-CD1 3.7Å; W385-F387 HydrophobicContact CH2-CD1 3.7Å; W385-F387 HydrophobicContact CH2-CE1 4.48Å; W385-F387 HydrophobicContact CH2-CG 4.33Å; W385-F387 HydrophobicContact CZ2-CB 3.95Å; W385-F387 HydrophobicContact CZ2-CD1 4.23Å; W385-F387 AromaticContact CZ3-CD1 3.79Å; W385-F387 HydrophobicContact CZ3-CD1 3.79Å; W385-F387 HydrophobicContact CZ3-CE1 4.35Å; F387-G389 PolarHBondContact O-N 2.88Å; F387-E393 WeakPolarHBondContact CZ-O 3.2Å; F387-N394 WeakPolarHBondContact CD1-OD1 3.45Å; F387-N394 PolarHBondContact N-OD1 3.12Å; F387-N394 PolarHBondContact O-ND2 2.93Å; F387-N394 PolarHBondContact O-OD1 3.41Å; F387-M397 HydrophobicContact CE1-CG 4.49Å | ||
| 388 | H | 79.8 | Confident | 88.8 | Confident | 88 Ų | 88 | 35.2 Ų | 35.2 | 41% | 0.407 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -70.5 | 125.2 | 179.3 | 175.1 | 43.2 | 0 | 0 | 0 | 111 | I430 E432 | H388-I430 WeakPolarHBondContact CA-O 3.47Å; H388-I430 PolarHBondContact ND1-O 2.94Å; H388-E432 HydrophobicContact CB-CG 4.28Å |
| 389 | G | 82.1 | Confident | 88.5 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.2 | -176 | -172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F387 I430 | F387-G389 PolarHBondContact O-N 2.88Å; G389-I430 PolarHBondContact N-O 2.99Å; G389-I430 WeakPolarHBondContact O-CB 3.38Å; G389-I430 PolarHBondContact O-N 2.95Å |
| 390 | T | 89.4 | Confident | 88.3 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 166.7 | 174.9 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | Q392 E393 N394 R427 T428 | T390-Q392 VanDerWaalsContact C-N 3.27Å; T390-E393 WeakPolarHBondContact CB-OE2 3.45Å; T390-E393 WeakPolarHBondContact CG2-OE2 3.35Å; T390-E393 PolarHBondContact N-OE2 3.42Å; T390-E393 WeakPolarHBondContact OG1-CB 3.33Å; T390-E393 VanDerWaalsContact OG1-CG 3.25Å; T390-E393 WeakPolarHBondContact OG1-CG 3.49Å; T390-E393 PolarHBondContact OG1-N 2.92Å; T390-E393 PolarHBondContact OG1-OE2 3.03Å; T390-N394 WeakPolarHBondContact O-CB 3.35Å; T390-N394 PolarHBondContact O-N 2.89Å; T390-N394 VanDerWaalsContact O-N 3.1Å; T390-N394 PolarHBondContact O-ND2 3.02Å; T390-R427 WeakPolarHBondContact CG2-O 3.23Å; T390-T428 WeakPolarHBondContact CA-O 3.23Å |
| 391 | V | 90.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 169.2 | -160.4 | 0 | 0 | 0 | 0 | 110.3 | N394 I395 L419 L422 D426 T428 I430 I445 | V391-N394 PolarHBondContact O-N 3.46Å; V391-I395 HydrophobicContact CG1-CD1 4.25Å; V391-I395 WeakPolarHBondContact O-CG1 3.3Å; V391-I395 PolarHBondContact O-N 2.96Å; V391-I395 VanDerWaalsContact O-N 3.1Å; V391-L419 HydrophobicContact CG1-CD2 4.28Å; V391-L422 HydrophobicContact CG2-CD1 3.83Å; V391-D426 VanDerWaalsContact CB-O 3.29Å; V391-D426 WeakPolarHBondContact CB-O 3.37Å; V391-D426 PolarHBondContact N-O 2.89Å; V391-D426 VanDerWaalsContact N-O 3.16Å; V391-T428 PolarHBondContact N-O 2.85Å; V391-I430 HydrophobicContact CB-CD1 4.16Å; V391-I430 HydrophobicContact CG1-CD1 4.32Å; V391-I430 HydrophobicContact CG2-CD1 4Å; V391-I430 HydrophobicContact CG2-CG1 4.1Å; V391-I445 HydrophobicContact CG1-CD1 3.92Å; V391-I445 HydrophobicContact CG1-CG1 4.14Å |
| 392 | Q | 93 | Very high | 88.5 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.2 | -52.1 | 177.2 | -172.8 | 177.2 | 94.6 | 0 | 0 | 112.2 | T390 N394 I395 L396 F401 Y406 D426 | T390-Q392 VanDerWaalsContact C-N 3.27Å; Q392-N394 VanDerWaalsContact C-N 3.29Å; Q392-N394 PolarHBondContact O-N 3.14Å; Q392-I395 PolarHBondContact O-N 2.82Å; Q392-L396 HydrophobicContact CG-CD1 3.95Å; Q392-L396 HydrophobicContact CG-CG 4.39Å; Q392-L396 WeakPolarHBondContact O-CG 3.34Å; Q392-L396 PolarHBondContact O-N 2.78Å; Q392-F401 HydrophobicContact CG-CD2 4.42Å; Q392-F401 HydrophobicContact CG-CE2 4.39Å; Q392-Y406 WeakPolarHBondContact CA-OH 3.46Å; Q392-Y406 HydrophobicContact CG-CE2 4.37Å; Q392-D426 HydrophobicContact CB-CB 4.42Å; Q392-D426 PolarHBondContact N-O 3.32Å; Q392-D426 PolarHBondContact NE2-OD2 3.14Å |
| 393 | E | 90.6 | Very high | 88.8 | Confident | 100 Ų | 100 | 51.3 Ų | 51.3 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.8 | -37.6 | 177 | -72.4 | 162.6 | 127.5 | 0 | 0 | 112.4 | F387 T390 I395 L396 M397 | F387-E393 WeakPolarHBondContact CZ-O 3.2Å; T390-E393 WeakPolarHBondContact CB-OE2 3.45Å; T390-E393 WeakPolarHBondContact CG2-OE2 3.35Å; T390-E393 PolarHBondContact N-OE2 3.42Å; T390-E393 WeakPolarHBondContact OG1-CB 3.33Å; T390-E393 VanDerWaalsContact OG1-CG 3.25Å; T390-E393 WeakPolarHBondContact OG1-CG 3.49Å; T390-E393 PolarHBondContact OG1-N 2.92Å; T390-E393 PolarHBondContact OG1-OE2 3.03Å; E393-I395 VanDerWaalsContact C-N 3.32Å; E393-I395 PolarHBondContact O-N 3.11Å; E393-L396 PolarHBondContact O-N 3.43Å; E393-M397 PolarHBondContact O-N 3.24Å |
| 394 | N | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -34.6 | 177 | -93.9 | -86 | 0 | 0 | 0 | 113.4 | F387 T390 V391 Q392 I430 I445 R449 | F387-N394 WeakPolarHBondContact CD1-OD1 3.45Å; F387-N394 PolarHBondContact N-OD1 3.12Å; F387-N394 PolarHBondContact O-ND2 2.93Å; F387-N394 PolarHBondContact O-OD1 3.41Å; T390-N394 WeakPolarHBondContact O-CB 3.35Å; T390-N394 PolarHBondContact O-N 2.89Å; T390-N394 VanDerWaalsContact O-N 3.1Å; T390-N394 PolarHBondContact O-ND2 3.02Å; V391-N394 PolarHBondContact O-N 3.46Å; Q392-N394 VanDerWaalsContact C-N 3.29Å; Q392-N394 PolarHBondContact O-N 3.14Å; N394-I430 HydrophobicContact CB-CD1 4.42Å; N394-I445 HydrophobicContact CB-CG2 4.28Å; N394-R449 PolarHBondContact O-NE 3.29Å; N394-R449 PolarHBondContact O-NH2 3.5Å; N394-R449 PolarHBondContact OD1-NH2 2.93Å |
| 395 | I | 94 | Very high | 89.6 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -79.3 | -41.9 | 176.3 | -66.5 | 169.8 | 0 | 0 | 0 | 110.8 | V391 Q392 E393 Y406 L410 L415 I445 A448 Y452 | V391-I395 HydrophobicContact CG1-CD1 4.25Å; V391-I395 WeakPolarHBondContact O-CG1 3.3Å; V391-I395 PolarHBondContact O-N 2.96Å; V391-I395 VanDerWaalsContact O-N 3.1Å; Q392-I395 PolarHBondContact O-N 2.82Å; E393-I395 VanDerWaalsContact C-N 3.32Å; E393-I395 PolarHBondContact O-N 3.11Å; I395-Y406 HydrophobicContact CB-CE2 4Å; I395-Y406 HydrophobicContact CD1-CE2 4.08Å; I395-Y406 HydrophobicContact CG2-CD2 4.15Å; I395-Y406 HydrophobicContact CG2-CE2 3.76Å; I395-L410 HydrophobicContact CD1-CD2 3.97Å; I395-L415 HydrophobicContact CD1-CD1 4.34Å; I395-I445 HydrophobicContact CG1-CG2 4.1Å; I395-A448 HydrophobicContact CD1-CB 4.15Å; I395-A448 HydrophobicContact CG1-CB 4.15Å; I395-A448 HydrophobicContact CG2-CB 4.35Å; I395-Y452 HydrophobicContact CG2-CG 4.26Å |
| 396 | L | 91.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69 | -33.2 | -178.8 | -68.5 | 178.6 | 0 | 0 | 0 | 113.7 | Q392 E393 G398 E399 F401 Y406 Y452 | Q392-L396 HydrophobicContact CG-CD1 3.95Å; Q392-L396 HydrophobicContact CG-CG 4.39Å; Q392-L396 WeakPolarHBondContact O-CG 3.34Å; Q392-L396 PolarHBondContact O-N 2.78Å; E393-L396 PolarHBondContact O-N 3.43Å; L396-G398 PolarHBondContact O-N 3.45Å; L396-E399 PolarHBondContact O-N 3.02Å; L396-F401 HydrophobicContact CD1-CB 3.99Å; L396-F401 HydrophobicContact CD1-CD2 3.96Å; L396-F401 HydrophobicContact CD1-CG 4.45Å; L396-F401 HydrophobicContact CD2-CB 4.44Å; L396-F401 HydrophobicContact CD2-CD2 4.08Å; L396-F401 HydrophobicContact CG-CD2 4.49Å; L396-Y406 HydrophobicContact CD2-CD2 4.48Å; L396-Y452 HydrophobicContact CD2-CD1 4.01Å; L396-Y452 HydrophobicContact CD2-CE1 3.35Å; L396-Y452 HydrophobicContact CD2-CE2 4.06Å |
| 397 | M | 87.4 | Confident | 90.1 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 11% | 0.108 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 16.1 | 179.6 | -145.5 | -164.4 | -166.3 | 0 | 0 | 115.6 | W385 F387 E393 R449 T845 Y849 I851 | W385-M397 HydrophobicContact CE3-CE 4.46Å; W385-M397 HydrophobicContact CZ3-CE 3.71Å; F387-M397 HydrophobicContact CE1-CG 4.49Å; E393-M397 PolarHBondContact O-N 3.24Å; M397-R449 HydrophobicContact CB-CG 4.14Å; M397-R449 HydrophobicContact CG-CG 4.37Å; M397-R449 HydrophobicContact SD-CG 4.29Å; M397-T845 HydrophobicContact CE-CG2 3.91Å; M397-Y849 HydrophobicContact CE-CD2 3.55Å; M397-Y849 HydrophobicContact CE-CE2 4.24Å; M397-Y849 HydrophobicContact CE-CG 4.13Å; M397-Y849 HydrophobicContact SD-CD1 4.26Å; M397-Y849 HydrophobicContact SD-CD2 3.54Å; M397-Y849 VanDerWaalsContact SD-CD2 3.54Å; M397-Y849 HydrophobicContact SD-CE2 4.18Å; M397-Y849 HydrophobicContact SD-CG 3.6Å; M397-I851 HydrophobicContact CE-CD1 3.55Å; M397-I851 HydrophobicContact CG-CD1 3.97Å; M397-I851 HydrophobicContact SD-CD1 3.94Å |
| 398 | G | 82 | Confident | 90.6 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 78% | 0.784 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | -0.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L396 | L396-G398 PolarHBondContact O-N 3.45Š|
| 399 | E | 87.3 | Confident | 91.4 | Very high | 77 Ų | 77 | 49 Ų | 49 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -73.6 | 159.6 | 164.3 | -67 | -164.4 | -170.4 | 0 | 0 | 111.5 | L396 Y452 K455 | L396-E399 PolarHBondContact O-N 3.02Å; E399-Y452 HydrophobicContact CB-CE1 4.27Å; E399-K455 IonicContact OE1-NZ 3.77Å; E399-K455 PolarHBondContact OE1-NZ 3.31Å |
| 400 | A | 90.5 | Very high | 91.9 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 72% | 0.719 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 139.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N402 Y452 | A400-N402 PolarHBondContact O-N 2.87Å; A400-Y452 PolarHBondContact O-OH 2.79Å |
| 401 | F | 93.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 38% | 0.382 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 123.1 | 176.7 | -178.8 | -105.7 | 0 | 0 | 0 | 111.5 | Q392 L396 Q403 Y406 | Q392-F401 HydrophobicContact CG-CD2 4.42Å; Q392-F401 HydrophobicContact CG-CE2 4.39Å; L396-F401 HydrophobicContact CD1-CB 3.99Å; L396-F401 HydrophobicContact CD1-CD2 3.96Å; L396-F401 HydrophobicContact CD1-CG 4.45Å; L396-F401 HydrophobicContact CD2-CB 4.44Å; L396-F401 HydrophobicContact CD2-CD2 4.08Å; L396-F401 HydrophobicContact CG-CD2 4.49Å; F401-Q403 HydrophobicContact CE1-CB 4.22Å; F401-Q403 HydrophobicContact CZ-CB 4.45Å; F401-Q403 VanDerWaalsContact CZ-OE1 3.26Å; F401-Y406 HydrophobicContact CD2-CG 4.44Å; F401-Y406 AromaticContact CE2-CD1 3.67Å; F401-Y406 HydrophobicContact CE2-CD1 3.67Å; F401-Y406 HydrophobicContact CE2-CD2 4.25Å; F401-Y406 HydrophobicContact CE2-CE1 4.17Å; F401-Y406 AromaticContact CE2-CG 3.72Å; F401-Y406 HydrophobicContact CE2-CG 3.72Å; F401-Y406 HydrophobicContact CZ-CD1 4.24Å |
| 402 | N | 95.1 | Very high | 92.2 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | trans | -128.3 | 106 | 173.6 | 178.1 | -31.6 | 0 | 0 | 0 | 108.5 | A400 A404 K405 Y406 Y452 | A400-N402 PolarHBondContact O-N 2.87Å; N402-A404 VanDerWaalsContact C-N 3.35Å; N402-A404 PolarHBondContact O-N 3.45Å; N402-A404 PolarHBondContact OD1-N 3.25Å; N402-K405 HydrophobicContact CB-CB 4.08Å; N402-K405 PolarHBondContact O-N 3.34Å; N402-K405 PolarHBondContact OD1-N 3.33Å; N402-Y406 WeakPolarHBondContact O-CB 3.44Å; N402-Y406 PolarHBondContact O-N 2.92Å; N402-Y452 PolarHBondContact N-OH 3.29Å | ||
| 403 | Q | 93.9 | Very high | 92.2 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -49.3 | -51.2 | -176.7 | -170.1 | 71.3 | 54.2 | 0 | 0 | 112.5 | F401 K405 Y406 D407 | F401-Q403 HydrophobicContact CE1-CB 4.22Å; F401-Q403 HydrophobicContact CZ-CB 4.45Å; F401-Q403 VanDerWaalsContact CZ-OE1 3.26Å; Q403-K405 VanDerWaalsContact C-N 3.28Å; Q403-K405 PolarHBondContact O-N 3.11Å; Q403-Y406 PolarHBondContact O-N 3.14Å; Q403-Y406 VanDerWaalsContact O-N 3.15Å; Q403-D407 PolarHBondContact NE2-OD2 3.41Å; Q403-D407 PolarHBondContact O-N 3.31Å |
| 404 | A | 94.8 | Very high | 92.3 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 50% | 0.496 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.5 | -16.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N402 R408 | N402-A404 VanDerWaalsContact C-N 3.35Å; N402-A404 PolarHBondContact O-N 3.45Å; N402-A404 PolarHBondContact OD1-N 3.25Å; A404-R408 PolarHBondContact O-NE 2.93Å; A404-R408 PolarHBondContact O-NH2 2.93Å |
| 405 | K | 93.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -84.2 | -43.7 | 167.2 | -168.7 | -176.3 | -172 | -173.4 | 0 | 110.3 | N402 Q403 R408 V409 Y452 | N402-K405 HydrophobicContact CB-CB 4.08Å; N402-K405 PolarHBondContact O-N 3.34Å; N402-K405 PolarHBondContact OD1-N 3.33Å; Q403-K405 VanDerWaalsContact C-N 3.28Å; Q403-K405 PolarHBondContact O-N 3.11Å; K405-R408 PolarHBondContact O-N 2.89Å; K405-V409 WeakPolarHBondContact O-CG2 3.26Å; K405-V409 PolarHBondContact O-N 2.86Å; K405-V409 VanDerWaalsContact O-N 3.14Å; K405-Y452 HydrophobicContact CB-CE2 3.93Å; K405-Y452 HydrophobicContact CD-CD2 4.09Å; K405-Y452 HydrophobicContact CD-CE2 3.82Å; K405-Y452 WeakPolarHBondContact CE-O 3.44Å; K405-Y452 HydrophobicContact CG-CD2 4.06Å; K405-Y452 HydrophobicContact CG-CE2 3.87Å; K405-Y452 PolarHBondContact NZ-O 3.04Å |
| 406 | Y | 94.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -48.2 | -177.4 | -170.7 | -109.3 | 0 | 0 | 0 | 112.3 | Q392 I395 L396 F401 N402 Q403 R408 V409 L410 D426 Y452 | Q392-Y406 WeakPolarHBondContact CA-OH 3.46Å; Q392-Y406 HydrophobicContact CG-CE2 4.37Å; I395-Y406 HydrophobicContact CB-CE2 4Å; I395-Y406 HydrophobicContact CD1-CE2 4.08Å; I395-Y406 HydrophobicContact CG2-CD2 4.15Å; I395-Y406 HydrophobicContact CG2-CE2 3.76Å; L396-Y406 HydrophobicContact CD2-CD2 4.48Å; F401-Y406 HydrophobicContact CD2-CG 4.44Å; F401-Y406 AromaticContact CE2-CD1 3.67Å; F401-Y406 HydrophobicContact CE2-CD1 3.67Å; F401-Y406 HydrophobicContact CE2-CD2 4.25Å; F401-Y406 HydrophobicContact CE2-CE1 4.17Å; F401-Y406 AromaticContact CE2-CG 3.72Å; F401-Y406 HydrophobicContact CE2-CG 3.72Å; F401-Y406 HydrophobicContact CZ-CD1 4.24Å; N402-Y406 WeakPolarHBondContact O-CB 3.44Å; N402-Y406 PolarHBondContact O-N 2.92Å; Q403-Y406 PolarHBondContact O-N 3.14Å; Q403-Y406 VanDerWaalsContact O-N 3.15Å; Y406-R408 PolarHBondContact O-N 2.81Å; Y406-V409 PolarHBondContact O-N 3.28Å; Y406-L410 HydrophobicContact CD1-CD1 3.86Å; Y406-L410 HydrophobicContact CD1-CG 4.46Å; Y406-L410 HydrophobicContact CE1-CD1 3.53Å; Y406-L410 HydrophobicContact CE1-CG 4.27Å; Y406-L410 WeakPolarHBondContact O-CG 3.5Å; Y406-L410 PolarHBondContact O-N 3.37Å; Y406-D426 WeakPolarHBondContact OH-CB 3.46Å; Y406-Y452 HydrophobicContact CD2-CD2 4.27Å; Y406-Y452 HydrophobicContact CD2-CE2 4.19Å |
| 407 | D | 94 | Very high | 91.6 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 177.4 | -88.8 | -63.4 | 0 | 0 | 0 | 112.7 | Q403 V409 L410 D411 R416 | Q403-D407 PolarHBondContact NE2-OD2 3.41Å; Q403-D407 PolarHBondContact O-N 3.31Å; D407-V409 PolarHBondContact O-N 3.37Å; D407-L410 PolarHBondContact O-N 2.99Å; D407-D411 PolarHBondContact O-N 2.86Å; D407-R416 PolarHBondContact O-NH2 3.39Å; D407-R416 IonicContact OD1-CZ 2.68Å; D407-R416 VanDerWaalsContact OD1-CZ 3.27Å; D407-R416 IonicContact OD1-NH1 2.69Å; D407-R416 PolarHBondContact OD1-NH1 3.15Å; D407-R416 IonicContact OD1-NH2 2.77Å; D407-R416 PolarHBondContact OD1-NH2 3.26Å |
| 408 | R | 93.8 | Very high | 91.5 | Very high | 136 Ų | 136 | 52.6 Ų | 52.6 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.4 | -80.9 | -177.5 | -73.5 | 164.8 | -1.4 | 112.2 | A404 K405 Y406 L410 D411 V412 | A404-R408 PolarHBondContact O-NE 2.93Å; A404-R408 PolarHBondContact O-NH2 2.93Å; K405-R408 PolarHBondContact O-N 2.89Å; Y406-R408 PolarHBondContact O-N 2.81Å; R408-L410 VanDerWaalsContact C-N 3.29Å; R408-L410 PolarHBondContact O-N 3.37Å; R408-D411 PolarHBondContact O-N 2.87Å; R408-V412 WeakPolarHBondContact O-CB 3.16Å; R408-V412 VanDerWaalsContact O-CG2 3.28Å; R408-V412 WeakPolarHBondContact O-CG2 3.43Å; R408-V412 PolarHBondContact O-N 3.03Å |
| 409 | V | 94.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -37.3 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | K405 Y406 D407 C413 A448 V451 Y452 | K405-V409 WeakPolarHBondContact O-CG2 3.26Å; K405-V409 PolarHBondContact O-N 2.86Å; K405-V409 VanDerWaalsContact O-N 3.14Å; Y406-V409 PolarHBondContact O-N 3.28Å; D407-V409 PolarHBondContact O-N 3.37Å; V409-C413 VanDerWaalsContact O-CB 3.31Å; V409-C413 WeakPolarHBondContact O-CB 3.09Å; V409-C413 PolarHBondContact O-N 2.95Å; V409-C413 PolarHBondContact O-SG 2.87Å; V409-A448 HydrophobicContact CG1-CB 3.64Å; V409-A448 WeakPolarHBondContact CG1-O 3.49Å; V409-V451 HydrophobicContact CG1-CB 4.42Å; V409-V451 HydrophobicContact CG2-CB 4.33Å; V409-V451 HydrophobicContact CG2-CG1 3.9Å; V409-Y452 HydrophobicContact CG2-CD2 4.3Å |
| 410 | L | 94.2 | Very high | 91.5 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.1 | -33.6 | 176.6 | -69.6 | 178.9 | 0 | 0 | 0 | 113.6 | I395 Y406 D407 R408 L415 R416 L419 | I395-L410 HydrophobicContact CD1-CD2 3.97Å; Y406-L410 HydrophobicContact CD1-CD1 3.86Å; Y406-L410 HydrophobicContact CD1-CG 4.46Å; Y406-L410 HydrophobicContact CE1-CD1 3.53Å; Y406-L410 HydrophobicContact CE1-CG 4.27Å; Y406-L410 WeakPolarHBondContact O-CG 3.5Å; Y406-L410 PolarHBondContact O-N 3.37Å; D407-L410 PolarHBondContact O-N 2.99Å; R408-L410 VanDerWaalsContact C-N 3.29Å; R408-L410 PolarHBondContact O-N 3.37Å; L410-L415 HydrophobicContact CD2-CB 3.87Å; L410-L415 HydrophobicContact CD2-CD1 3.88Å; L410-L415 PolarHBondContact O-N 3.5Å; L410-R416 HydrophobicContact CB-CG 4.41Å; L410-L419 HydrophobicContact CD1-CD1 3.65Å; L410-L419 HydrophobicContact CD2-CD1 3.8Å; L410-L419 HydrophobicContact CG-CD1 4.3Å |
| 411 | D | 92.9 | Very high | 91 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 40% | 0.401 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.7 | -52.9 | 172.2 | -75.4 | -52.9 | 0 | 0 | 0 | 111.3 | D407 R408 C413 S414 R416 H474 | D407-D411 PolarHBondContact O-N 2.86Å; R408-D411 PolarHBondContact O-N 2.87Å; D411-C413 VanDerWaalsContact C-N 3.31Å; D411-C413 PolarHBondContact O-N 2.73Å; D411-S414 WeakPolarHBondContact O-CA 3.42Å; D411-S414 PolarHBondContact O-N 3.26Å; D411-R416 VanDerWaalsContact OD1-CD 3.28Å; D411-R416 WeakPolarHBondContact OD1-CD 3.47Å; D411-R416 IonicContact OD1-CZ 3.15Å; D411-R416 IonicContact OD1-NE 2.67Å; D411-R416 PolarHBondContact OD1-NE 3.47Å; D411-R416 IonicContact OD1-NH2 4Å; D411-R416 IonicContact OD2-CZ 3.11Å; D411-R416 IonicContact OD2-NE 3.25Å; D411-R416 PolarHBondContact OD2-NE 3.08Å; D411-R416 IonicContact OD2-NH2 2.79Å; D411-R416 PolarHBondContact OD2-NH2 3.3Å; D411-H474 PolarHBondContact O-CE1 2.6Å |
| 412 | V | 93.4 | Very high | 90.2 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -37.8 | -177.2 | 166.5 | 0 | 0 | 0 | 0 | 112.5 | R408 S414 C479 E483 | R408-V412 WeakPolarHBondContact O-CB 3.16Å; R408-V412 VanDerWaalsContact O-CG2 3.28Å; R408-V412 WeakPolarHBondContact O-CG2 3.43Å; R408-V412 PolarHBondContact O-N 3.03Å; V412-S414 VanDerWaalsContact C-N 3.3Å; V412-S414 PolarHBondContact O-N 3.3Å; V412-C479 HydrophobicContact CG1-CB 3.4Å; V412-C479 VanDerWaalsContact CG1-CB 3.4Å; V412-E483 HydrophobicContact CG1-CB 3.99Å; V412-E483 HydrophobicContact CG1-CG 4.36Å; V412-E483 HydrophobicContact CG2-CB 4.36Å |
| 413 | C | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 9.5 | 175.1 | -63.3 | 0 | 0 | 0 | 0 | 114 | V409 D411 L415 A448 | V409-C413 VanDerWaalsContact O-CB 3.31Å; V409-C413 WeakPolarHBondContact O-CB 3.09Å; V409-C413 PolarHBondContact O-N 2.95Å; V409-C413 PolarHBondContact O-SG 2.87Å; D411-C413 VanDerWaalsContact C-N 3.31Å; D411-C413 PolarHBondContact O-N 2.73Å; C413-L415 HydrophobicContact CB-CD1 4.05Å; C413-L415 HydrophobicContact CB-CG 4.14Å; C413-L415 PolarHBondContact O-N 3.49Å; C413-L415 VanDerWaalsContact O-N 3.15Å; C413-A448 HydrophobicContact CB-CB 4.26Å |
| 414 | S | 91.2 | Very high | 88.3 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 31.6 | -177.5 | -46.5 | 0 | 0 | 0 | 0 | 114.9 | D411 V412 R444 H474 | D411-S414 WeakPolarHBondContact O-CA 3.42Å; D411-S414 PolarHBondContact O-N 3.26Å; V412-S414 VanDerWaalsContact C-N 3.3Å; V412-S414 PolarHBondContact O-N 3.3Å; S414-R444 PolarHBondContact O-NH1 2.95Å; S414-R444 VanDerWaalsContact O-NH1 3.08Å; S414-H474 PolarHBondContact OG-CE1 3.47Å; S414-H474 VanDerWaalsContact OG-CE1 3.31Å; S414-H474 PolarHBondContact OG-ND1 3.38Å; S414-H474 VanDerWaalsContact OG-ND1 3.08Å |
| 415 | L | 91 | Very high | 88 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -14.4 | -174.6 | -77.7 | 170 | 0 | 0 | 0 | 114 | I395 L410 C413 A417 D418 L419 R444 I445 A448 | I395-L415 HydrophobicContact CD1-CD1 4.34Å; L410-L415 HydrophobicContact CD2-CB 3.87Å; L410-L415 HydrophobicContact CD2-CD1 3.88Å; L410-L415 PolarHBondContact O-N 3.5Å; C413-L415 HydrophobicContact CB-CD1 4.05Å; C413-L415 HydrophobicContact CB-CG 4.14Å; C413-L415 PolarHBondContact O-N 3.49Å; C413-L415 VanDerWaalsContact O-N 3.15Å; L415-A417 PolarHBondContact O-N 3.39Å; L415-A417 VanDerWaalsContact O-N 3.16Å; L415-D418 PolarHBondContact O-N 3.01Å; L415-L419 WeakPolarHBondContact O-CG 3.32Å; L415-L419 PolarHBondContact O-N 3.27Å; L415-R444 HydrophobicContact CD2-CB 3.76Å; L415-R444 HydrophobicContact CG-CB 4.24Å; L415-I445 HydrophobicContact CD1-CG1 4.4Å; L415-I445 HydrophobicContact CD2-CG1 4.04Å; L415-A448 HydrophobicContact CD1-CB 3.64Å |
| 416 | R | 90.1 | Very high | 87.7 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 35% | 0.347 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -22.5 | -179.5 | -69.1 | -152.7 | -166.5 | -89.9 | -1.5 | 114.3 | D407 L410 D411 K420 | D407-R416 PolarHBondContact O-NH2 3.39Å; D407-R416 IonicContact OD1-CZ 2.68Å; D407-R416 VanDerWaalsContact OD1-CZ 3.27Å; D407-R416 IonicContact OD1-NH1 2.69Å; D407-R416 PolarHBondContact OD1-NH1 3.15Å; D407-R416 IonicContact OD1-NH2 2.77Å; D407-R416 PolarHBondContact OD1-NH2 3.26Å; L410-R416 HydrophobicContact CB-CG 4.41Å; D411-R416 VanDerWaalsContact OD1-CD 3.28Å; D411-R416 WeakPolarHBondContact OD1-CD 3.47Å; D411-R416 IonicContact OD1-CZ 3.15Å; D411-R416 IonicContact OD1-NE 2.67Å; D411-R416 PolarHBondContact OD1-NE 3.47Å; D411-R416 IonicContact OD1-NH2 4Å; D411-R416 IonicContact OD2-CZ 3.11Å; D411-R416 IonicContact OD2-NE 3.25Å; D411-R416 PolarHBondContact OD2-NE 3.08Å; D411-R416 IonicContact OD2-NH2 2.79Å; D411-R416 PolarHBondContact OD2-NH2 3.3Å; R416-K420 WeakPolarHBondContact O-CG 3.33Å |
| 417 | A | 83.3 | Confident | 87.4 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71 | -51.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L415 L419 K420 I421 | L415-A417 PolarHBondContact O-N 3.39Å; L415-A417 VanDerWaalsContact O-N 3.16Å; A417-L419 PolarHBondContact O-N 3.06Å; A417-K420 WeakPolarHBondContact O-CB 3.4Å; A417-K420 PolarHBondContact O-N 3.32Å; A417-K420 VanDerWaalsContact O-N 3.11Å; A417-I421 PolarHBondContact O-N 2.87Å |
| 418 | D | 83.9 | Confident | 86.9 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | -178.7 | -49.4 | -97.4 | 0 | 0 | 0 | 112.1 | L415 K420 I421 L422 Q441 R444 | L415-D418 PolarHBondContact O-N 3.01Å; D418-K420 PolarHBondContact O-N 3.05Å; D418-I421 WeakPolarHBondContact O-CB 3.48Å; D418-I421 PolarHBondContact O-N 2.96Å; D418-L422 PolarHBondContact O-N 2.91Å; D418-L422 VanDerWaalsContact O-N 3.07Å; D418-Q441 HydrophobicContact CB-CG 4.3Å; D418-Q441 WeakPolarHBondContact OD1-CG 3.32Å; D418-Q441 PolarHBondContact OD1-NE2 3.16Å; D418-R444 VanDerWaalsContact CG-NH2 3.25Å; D418-R444 IonicContact OD1-CZ 3.28Å; D418-R444 IonicContact OD1-NH1 3.14Å; D418-R444 IonicContact OD1-NH2 3.8Å; D418-R444 PolarHBondContact OD1-NH2 3.23Å; D418-R444 IonicContact OD2-CZ 3.43Å; D418-R444 VanDerWaalsContact OD2-CZ 3.3Å; D418-R444 IonicContact OD2-NH1 2.71Å; D418-R444 PolarHBondContact OD2-NH1 2.83Å; D418-R444 IonicContact OD2-NH2 2.98Å; D418-R444 PolarHBondContact OD2-NH2 3.08Å; D418-R444 VanDerWaalsContact OD2-NH2 3.13Å |
| 419 | L | 86.3 | Confident | 86.1 | Confident | 29 Ų | 29 | 59.3 Ų | 59.3 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -22.9 | 176 | -67 | -176 | 0 | 0 | 0 | 113.3 | V391 L410 L415 A417 L422 G425 D426 | V391-L419 HydrophobicContact CG1-CD2 4.28Å; L410-L419 HydrophobicContact CD1-CD1 3.65Å; L410-L419 HydrophobicContact CD2-CD1 3.8Å; L410-L419 HydrophobicContact CG-CD1 4.3Å; L415-L419 WeakPolarHBondContact O-CG 3.32Å; L415-L419 PolarHBondContact O-N 3.27Å; A417-L419 PolarHBondContact O-N 3.06Å; L419-L422 HydrophobicContact CD2-CD1 4.12Å; L419-G425 WeakPolarHBondContact O-CA 3.27Å; L419-D426 HydrophobicContact CD1-CB 4.38Å; L419-D426 HydrophobicContact CD2-CB 4.29Å |
| 420 | K | 84.6 | Confident | 85.2 | Confident | 185 Ų | 185 | 59.5 Ų | 59.5 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -78.5 | -23.2 | 171.8 | -70.5 | 171.3 | -178.8 | 179.1 | 0 | 113 | R416 A417 D418 | R416-K420 WeakPolarHBondContact O-CG 3.33Å; A417-K420 WeakPolarHBondContact O-CB 3.4Å; A417-K420 PolarHBondContact O-N 3.32Å; A417-K420 VanDerWaalsContact O-N 3.11Å; D418-K420 PolarHBondContact O-N 3.05Å |
| 421 | I | 78 | Confident | 83.7 | Confident | 129 Ų | 129 | 59.6 Ų | 59.6 | 66% | 0.662 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -82.9 | -30.3 | 177.8 | -59.7 | 169.4 | 0 | 0 | 0 | 110.4 | A417 D418 | A417-I421 PolarHBondContact O-N 2.87Å; D418-I421 WeakPolarHBondContact O-CB 3.48Å; D418-I421 PolarHBondContact O-N 2.96Å |
| 422 | L | 76.9 | Confident | 81.9 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -71.8 | 133.5 | 176.9 | -65.7 | -177.9 | 0 | 0 | 0 | 112.2 | V391 D418 L419 Y424 G425 T428 L437 | V391-L422 HydrophobicContact CG2-CD1 3.83Å; D418-L422 PolarHBondContact O-N 2.91Å; D418-L422 VanDerWaalsContact O-N 3.07Å; L419-L422 HydrophobicContact CD2-CD1 4.12Å; L422-Y424 PolarHBondContact O-N 3.1Å; L422-Y424 VanDerWaalsContact O-N 3.1Å; L422-G425 PolarHBondContact O-N 3.41Å; L422-G425 VanDerWaalsContact O-N 3.11Å; L422-T428 HydrophobicContact CB-CG2 4.49Å; L422-L437 HydrophobicContact CD2-CD2 4.23Å |
| 423 | P | 72.4 | Confident | 80.1 | Confident | 76 Ų | 76 | 66 Ų | 66 | 49% | 0.494 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -21.2 | -168.9 | 26 | -36.2 | 0 | 0 | 0 | 114.9 | T428 | P423-T428 HydrophobicContact CG-CG2 4.23Š|
| 424 | Y | 78.4 | Confident | 78.4 | Confident | 131 Ų | 131 | 66 Ų | 66 | 51% | 0.514 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 21.5 | 176.1 | -56.9 | -67.1 | 0 | 0 | 0 | 112.3 | L422 D426 R427 T428 D627 | L422-Y424 PolarHBondContact O-N 3.1Å; L422-Y424 VanDerWaalsContact O-N 3.1Å; Y424-D426 PolarHBondContact O-N 3.46Å; Y424-R427 PolarHBondContact O-N 3.02Å; Y424-T428 VanDerWaalsContact C-OG1 3.3Å; Y424-T428 WeakPolarHBondContact CA-OG1 3.25Å; Y424-T428 PolarHBondContact N-OG1 2.85Å; Y424-T428 VanDerWaalsContact N-OG1 3.14Å; Y424-D627 PolarHBondContact OH-O 3.41Å |
| 425 | G | 86.9 | Confident | 76.7 | Confident | 17 Ų | 17 | 71.1 Ų | 71.1 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | 56.5 | -133.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L419 L422 R427 T428 | L419-G425 WeakPolarHBondContact O-CA 3.27Å; L422-G425 PolarHBondContact O-N 3.41Å; L422-G425 VanDerWaalsContact O-N 3.11Å; G425-R427 PolarHBondContact O-N 3.48Å; G425-T428 PolarHBondContact N-OG1 3.02Å; G425-T428 VanDerWaalsContact O-CB 3.27Å; G425-T428 WeakPolarHBondContact O-CB 3.39Å; G425-T428 PolarHBondContact O-N 2.87Å; G425-T428 VanDerWaalsContact O-N 3.14Å; G425-T428 PolarHBondContact O-OG1 3.23Å |
| 426 | D | 88.5 | Confident | 75.4 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 20% | 0.198 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -67.5 | -21.1 | -178.7 | 69.1 | -33.5 | 0 | 0 | 0 | 114.1 | V391 Q392 Y406 L419 Y424 T428 | V391-D426 VanDerWaalsContact CB-O 3.29Å; V391-D426 WeakPolarHBondContact CB-O 3.37Å; V391-D426 PolarHBondContact N-O 2.89Å; V391-D426 VanDerWaalsContact N-O 3.16Å; Q392-D426 HydrophobicContact CB-CB 4.42Å; Q392-D426 PolarHBondContact N-O 3.32Å; Q392-D426 PolarHBondContact NE2-OD2 3.14Å; Y406-D426 WeakPolarHBondContact OH-CB 3.46Å; L419-D426 HydrophobicContact CD1-CB 4.38Å; L419-D426 HydrophobicContact CD2-CB 4.29Å; Y424-D426 PolarHBondContact O-N 3.46Å; D426-T428 VanDerWaalsContact C-N 3.29Å |
| 427 | R | 87.3 | Confident | 74.4 | Confident | 183 Ų | 183 | 71.8 Ų | 71.8 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -83.4 | -0.3 | 174.5 | -61 | -175.3 | -178 | -168.7 | -0.5 | 113.8 | T390 Y424 G425 E429 | T390-R427 WeakPolarHBondContact CG2-O 3.23Å; Y424-R427 PolarHBondContact O-N 3.02Å; G425-R427 PolarHBondContact O-N 3.48Å; R427-E429 PolarHBondContact O-N 3.14Å |
| 428 | T | 84.1 | Confident | 74.1 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 8% | 0.08 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -63 | 125.3 | 175.2 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | T390 V391 L422 P423 Y424 G425 D426 I430 | T390-T428 WeakPolarHBondContact CA-O 3.23Å; V391-T428 PolarHBondContact N-O 2.85Å; L422-T428 HydrophobicContact CB-CG2 4.49Å; P423-T428 HydrophobicContact CG-CG2 4.23Å; Y424-T428 VanDerWaalsContact C-OG1 3.3Å; Y424-T428 WeakPolarHBondContact CA-OG1 3.25Å; Y424-T428 PolarHBondContact N-OG1 2.85Å; Y424-T428 VanDerWaalsContact N-OG1 3.14Å; G425-T428 PolarHBondContact N-OG1 3.02Å; G425-T428 VanDerWaalsContact O-CB 3.27Å; G425-T428 WeakPolarHBondContact O-CB 3.39Å; G425-T428 PolarHBondContact O-N 2.87Å; G425-T428 VanDerWaalsContact O-N 3.14Å; G425-T428 PolarHBondContact O-OG1 3.23Å; D426-T428 VanDerWaalsContact C-N 3.29Å; T428-I430 PolarHBondContact O-N 2.83Å |
| 429 | E | 77.4 | Confident | 73.7 | Confident | 115 Ų | 115 | 73 Ų | 73 | 54% | 0.537 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 126.8 | 174.6 | -71.3 | -171.4 | 178.5 | 0 | 0 | 111.2 | R427 | R427-E429 PolarHBondContact O-N 3.14Å |
| 430 | I | 76.6 | Confident | 73.5 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.5 | 172.1 | -50.7 | 171.5 | 0 | 0 | 0 | 108.3 | I386 H388 G389 V391 N394 T428 G434 L437 | I386-I430 HydrophobicContact CG2-CB 4.41Å; I386-I430 HydrophobicContact CG2-CD1 4.06Å; I386-I430 HydrophobicContact CG2-CG2 3.7Å; H388-I430 WeakPolarHBondContact CA-O 3.47Å; H388-I430 PolarHBondContact ND1-O 2.94Å; G389-I430 PolarHBondContact N-O 2.99Å; G389-I430 WeakPolarHBondContact O-CB 3.38Å; G389-I430 PolarHBondContact O-N 2.95Å; V391-I430 HydrophobicContact CB-CD1 4.16Å; V391-I430 HydrophobicContact CG1-CD1 4.32Å; V391-I430 HydrophobicContact CG2-CD1 4Å; V391-I430 HydrophobicContact CG2-CG1 4.1Å; N394-I430 HydrophobicContact CB-CD1 4.42Å; T428-I430 PolarHBondContact O-N 2.83Å; I430-G434 VanDerWaalsContact CG2-CA 3.49Å; I430-L437 HydrophobicContact CD1-CD1 3.96Å; I430-L437 HydrophobicContact CG1-CD1 4.23Å; I430-L437 HydrophobicContact CG2-CD1 3.89Å |
| 431 | G | 62.7 | Low | 73.6 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 9% | 0.093 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 165.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R433 G434 | G431-R433 PolarHBondContact O-N 2.89Å; G431-G434 WeakPolarHBondContact O-CA 3.19Å; G431-G434 PolarHBondContact O-N 3.43Å |
| 432 | E | 53.4 | Low | 74.1 | Confident | 78 Ų | 78 | 60.5 Ų | 60.5 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -48.7 | 136.8 | 178.8 | -67.5 | -179 | -162.5 | 0 | 0 | 112.7 | H388 G434 S834 | H388-E432 HydrophobicContact CB-CG 4.28Å; E432-G434 PolarHBondContact O-N 3.35Å; E432-G434 VanDerWaalsContact O-N 3.12Å; E432-S834 WeakPolarHBondContact CG-OG 3.42Å; E432-S834 VanDerWaalsContact OE1-CA 3.26Å; E432-S834 WeakPolarHBondContact OE1-CA 3.4Å; E432-S834 WeakPolarHBondContact OE1-CB 3.36Å; E432-S834 PolarHBondContact OE1-OG 3.02Å |
| 433 | R | 55.6 | Low | 74.7 | Confident | 147 Ų | 147 | 59.4 Ų | 59.4 | 56% | 0.555 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | 60.9 | 9.7 | -175.8 | -48.2 | 178.7 | 179.6 | -169.7 | -1.3 | 115.3 | G431 L435 K442 | G431-R433 PolarHBondContact O-N 2.89Å; R433-L435 PolarHBondContact O-N 2.69Å; R433-K442 PolarHBondContact O-NZ 2.81Å |
| 434 | G | 57.1 | Low | 75.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | 59.5 | 45.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I430 G431 E432 N436 L437 K442 | I430-G434 VanDerWaalsContact CG2-CA 3.49Å; G431-G434 WeakPolarHBondContact O-CA 3.19Å; G431-G434 PolarHBondContact O-N 3.43Å; E432-G434 PolarHBondContact O-N 3.35Å; E432-G434 VanDerWaalsContact O-N 3.12Å; G434-N436 PolarHBondContact O-N 2.69Å; G434-L437 PolarHBondContact O-N 3.24Å; G434-K442 WeakPolarHBondContact O-CE 3.32Å; G434-K442 PolarHBondContact O-NZ 3.15Å |
| 435 | L | 55.6 | Low | 76.3 | Confident | 133 Ų | 133 | 50.7 Ų | 50.7 | 70% | 0.696 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22.1 | 179.9 | -71.4 | 169.5 | 0 | 0 | 0 | 114 | R433 L437 | R433-L435 PolarHBondContact O-N 2.69Å; L435-L437 VanDerWaalsContact C-N 3.33Å |
| 436 | N | 63.4 | Low | 76.7 | Confident | 93 Ų | 93 | 50 Ų | 50 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 5.8 | 179.3 | -56.1 | -4.6 | 0 | 0 | 0 | 113.7 | G434 | G434-N436 PolarHBondContact O-N 2.69Š|
| 437 | L | 70.9 | Confident | 76.9 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -128.5 | 146.2 | -171.6 | -61.6 | 169.7 | 0 | 0 | 0 | 111.5 | L422 I430 G434 L435 Q441 K442 I445 | L422-L437 HydrophobicContact CD2-CD2 4.23Å; I430-L437 HydrophobicContact CD1-CD1 3.96Å; I430-L437 HydrophobicContact CG1-CD1 4.23Å; I430-L437 HydrophobicContact CG2-CD1 3.89Å; G434-L437 PolarHBondContact O-N 3.24Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L437-Q441 HydrophobicContact CB-CB 4.12Å; L437-Q441 HydrophobicContact CD2-CB 4.37Å; L437-K442 HydrophobicContact CB-CG 4Å; L437-K442 HydrophobicContact CD1-CG 4.49Å; L437-K442 WeakPolarHBondContact O-CE 3.37Å; L437-I445 HydrophobicContact CD1-CD1 3.76Å; L437-I445 HydrophobicContact CD2-CD1 4.48Å |
| 438 | S | 76.2 | Confident | 77.3 | Confident | 63 Ų | 63 | 39.5 Ų | 39.5 | 44% | 0.441 | 21% | 0.207 | S | C | . | . | trans | -72 | 168.1 | 173.1 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | Q441 K442 | S438-Q441 PolarHBondContact O-N 3.07Å; S438-Q441 WeakPolarHBondContact OG-CB 3.36Å; S438-Q441 WeakPolarHBondContact OG-CG 3.43Å; S438-Q441 PolarHBondContact OG-N 3.11Å; S438-K442 WeakPolarHBondContact O-CG 3.1Å; S438-K442 PolarHBondContact O-N 3.06Å; S438-K442 VanDerWaalsContact O-N 3.07Å | ||
| 439 | G | 75.6 | Confident | 77.8 | Confident | 42 Ų | 42 | 39 Ų | 39 | 43% | 0.433 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.6 | -55.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q441 K442 Q443 | G439-Q441 VanDerWaalsContact C-N 3.28Å; G439-Q441 PolarHBondContact O-N 2.76Å; G439-K442 PolarHBondContact O-N 2.85Å; G439-Q443 PolarHBondContact O-N 2.9Å |
| 440 | G | 81.9 | Confident | 78.6 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.7 | -26.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R444 A466 | G440-R444 WeakPolarHBondContact O-CB 3.1Å; G440-R444 VanDerWaalsContact O-CG 3.24Å; G440-R444 WeakPolarHBondContact O-CG 3.48Å; G440-R444 PolarHBondContact O-N 2.77Å; G440-R444 PolarHBondContact O-NE 2.87Å; G440-A466 WeakPolarHBondContact CA-O 2.94Å; G440-A466 PolarHBondContact N-O 2.89Å |
| 441 | Q | 86.3 | Confident | 79.4 | Confident | 29 Ų | 29 | 33.6 Ų | 33.6 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.9 | -43.4 | 169.8 | -79.8 | 170 | -10 | 0 | 0 | 111.7 | D418 L437 S438 G439 R444 I445 | D418-Q441 HydrophobicContact CB-CG 4.3Å; D418-Q441 WeakPolarHBondContact OD1-CG 3.32Å; D418-Q441 PolarHBondContact OD1-NE2 3.16Å; L437-Q441 HydrophobicContact CB-CB 4.12Å; L437-Q441 HydrophobicContact CD2-CB 4.37Å; S438-Q441 PolarHBondContact O-N 3.07Å; S438-Q441 WeakPolarHBondContact OG-CB 3.36Å; S438-Q441 WeakPolarHBondContact OG-CG 3.43Å; S438-Q441 PolarHBondContact OG-N 3.11Å; G439-Q441 VanDerWaalsContact C-N 3.28Å; G439-Q441 PolarHBondContact O-N 2.76Å; Q441-R444 PolarHBondContact O-N 2.86Å; Q441-I445 WeakPolarHBondContact O-CB 3.3Å; Q441-I445 WeakPolarHBondContact O-CD1 3.39Å; Q441-I445 VanDerWaalsContact O-CG1 3.29Å; Q441-I445 WeakPolarHBondContact O-CG1 3.37Å; Q441-I445 PolarHBondContact O-N 3.14Å |
| 442 | K | 87.9 | Confident | 81 | Confident | 47 Ų | 47 | 33.3 Ų | 33.3 | 20% | 0.204 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 177.5 | -62.2 | 173.3 | -155.2 | -165.6 | 0 | 111.5 | A384 I386 R433 G434 L437 S438 G439 I445 S446 | A384-K442 VanDerWaalsContact CB-C 3.43Å; A384-K442 HydrophobicContact CB-CB 3.82Å; A384-K442 WeakPolarHBondContact CB-O 3.4Å; I386-K442 HydrophobicContact CG1-CB 4.11Å; I386-K442 HydrophobicContact CG1-CG 4.14Å; R433-K442 PolarHBondContact O-NZ 2.81Å; G434-K442 WeakPolarHBondContact O-CE 3.32Å; G434-K442 PolarHBondContact O-NZ 3.15Å; L437-K442 HydrophobicContact CB-CG 4Å; L437-K442 HydrophobicContact CD1-CG 4.49Å; L437-K442 WeakPolarHBondContact O-CE 3.37Å; S438-K442 WeakPolarHBondContact O-CG 3.1Å; S438-K442 PolarHBondContact O-N 3.06Å; S438-K442 VanDerWaalsContact O-N 3.07Å; G439-K442 PolarHBondContact O-N 2.85Å; K442-I445 PolarHBondContact O-N 3Å; K442-S446 WeakPolarHBondContact O-CB 3.41Å; K442-S446 PolarHBondContact O-N 2.61Å |
| 443 | Q | 90.1 | Very high | 82.8 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 175 | -79.3 | -165.8 | -28.4 | 0 | 0 | 111.2 | Q382 A384 G439 I445 S446 L447 D462 P463 A466 | Q382-Q443 PolarHBondContact O-NE2 3.43Å; A384-Q443 HydrophobicContact CB-CG 4.14Å; G439-Q443 PolarHBondContact O-N 2.9Å; Q443-I445 PolarHBondContact O-N 3.25Å; Q443-S446 CarbonylContact O-C 3.53Å; Q443-S446 PolarHBondContact O-N 2.88Å; Q443-S446 VanDerWaalsContact O-N 3.11Å; Q443-L447 WeakPolarHBondContact O-CB 3.46Å; Q443-L447 PolarHBondContact O-N 2.99Å; Q443-D462 PolarHBondContact NE2-O 3.43Å; Q443-P463 PolarHBondContact OE1-O 2.65Å; Q443-A466 HydrophobicContact CG-CB 4.44Å |
| 444 | R | 92.3 | Very high | 84.5 | Confident | 19 Ų | 19 | 26.9 Ų | 26.9 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.7 | -36.4 | 178 | -71.2 | 179.3 | -65.3 | 138.2 | 0.6 | 113.8 | S414 L415 D418 G440 Q441 L447 A448 V467 I475 | S414-R444 PolarHBondContact O-NH1 2.95Å; S414-R444 VanDerWaalsContact O-NH1 3.08Å; L415-R444 HydrophobicContact CD2-CB 3.76Å; L415-R444 HydrophobicContact CG-CB 4.24Å; D418-R444 VanDerWaalsContact CG-NH2 3.25Å; D418-R444 IonicContact OD1-CZ 3.28Å; D418-R444 IonicContact OD1-NH1 3.14Å; D418-R444 IonicContact OD1-NH2 3.8Å; D418-R444 PolarHBondContact OD1-NH2 3.23Å; D418-R444 IonicContact OD2-CZ 3.43Å; D418-R444 VanDerWaalsContact OD2-CZ 3.3Å; D418-R444 IonicContact OD2-NH1 2.71Å; D418-R444 PolarHBondContact OD2-NH1 2.83Å; D418-R444 IonicContact OD2-NH2 2.98Å; D418-R444 PolarHBondContact OD2-NH2 3.08Å; D418-R444 VanDerWaalsContact OD2-NH2 3.13Å; G440-R444 WeakPolarHBondContact O-CB 3.1Å; G440-R444 VanDerWaalsContact O-CG 3.24Å; G440-R444 WeakPolarHBondContact O-CG 3.48Å; G440-R444 PolarHBondContact O-N 2.77Å; G440-R444 PolarHBondContact O-NE 2.87Å; Q441-R444 PolarHBondContact O-N 2.86Å; R444-L447 PolarHBondContact O-N 3.13Å; R444-A448 VanDerWaalsContact O-CB 3.29Å; R444-A448 WeakPolarHBondContact O-CB 3.35Å; R444-A448 PolarHBondContact O-N 3.44Å; R444-V467 HydrophobicContact CG-CG2 4.36Å; R444-I475 HydrophobicContact CG-CD1 3.64Å |
| 445 | I | 93.5 | Very high | 86.2 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 172.2 | -69 | 161.8 | 0 | 0 | 0 | 111.4 | I386 V391 N394 I395 L415 L437 Q441 K442 Q443 A448 R449 | I386-I445 HydrophobicContact CD1-CB 4.08Å; I386-I445 HydrophobicContact CD1-CG2 3.66Å; V391-I445 HydrophobicContact CG1-CD1 3.92Å; V391-I445 HydrophobicContact CG1-CG1 4.14Å; N394-I445 HydrophobicContact CB-CG2 4.28Å; I395-I445 HydrophobicContact CG1-CG2 4.1Å; L415-I445 HydrophobicContact CD1-CG1 4.4Å; L415-I445 HydrophobicContact CD2-CG1 4.04Å; L437-I445 HydrophobicContact CD1-CD1 3.76Å; L437-I445 HydrophobicContact CD2-CD1 4.48Å; Q441-I445 WeakPolarHBondContact O-CB 3.3Å; Q441-I445 WeakPolarHBondContact O-CD1 3.39Å; Q441-I445 VanDerWaalsContact O-CG1 3.29Å; Q441-I445 WeakPolarHBondContact O-CG1 3.37Å; Q441-I445 PolarHBondContact O-N 3.14Å; K442-I445 PolarHBondContact O-N 3Å; Q443-I445 PolarHBondContact O-N 3.25Å; I445-A448 PolarHBondContact O-N 3.09Å; I445-R449 PolarHBondContact O-N 3.33Å |
| 446 | S | 93.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71 | -31.8 | 176.5 | -166 | 0 | 0 | 0 | 0 | 112.8 | K442 Q443 A450 | K442-S446 WeakPolarHBondContact O-CB 3.41Å; K442-S446 PolarHBondContact O-N 2.61Å; Q443-S446 CarbonylContact O-C 3.53Å; Q443-S446 PolarHBondContact O-N 2.88Å; Q443-S446 VanDerWaalsContact O-N 3.11Å; S446-A450 PolarHBondContact O-N 3.07Å |
| 447 | L | 94.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.6 | -47.4 | 171.2 | -177.2 | 63.5 | 0 | 0 | 0 | 110.8 | V380 Q443 R444 R449 A450 V451 L460 I475 | V380-L447 HydrophobicContact CG2-CD1 4.12Å; Q443-L447 WeakPolarHBondContact O-CB 3.46Å; Q443-L447 PolarHBondContact O-N 2.99Å; R444-L447 PolarHBondContact O-N 3.13Å; L447-R449 PolarHBondContact O-N 3.09Å; L447-A450 WeakPolarHBondContact O-CA 3.49Å; L447-A450 WeakPolarHBondContact O-CB 3.33Å; L447-A450 PolarHBondContact O-N 3.06Å; L447-V451 HydrophobicContact CD1-CG2 4.44Å; L447-V451 HydrophobicContact CG-CG2 4.43Å; L447-V451 WeakPolarHBondContact O-CG2 3.43Å; L447-V451 PolarHBondContact O-N 2.77Å; L447-L460 HydrophobicContact CD1-CD2 4.03Å; L447-I475 HydrophobicContact CD2-CG2 3.44Å; L447-I475 VanDerWaalsContact CD2-CG2 3.44Å |
| 448 | A | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.1 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | I395 V409 C413 L415 R444 I445 Y452 | I395-A448 HydrophobicContact CD1-CB 4.15Å; I395-A448 HydrophobicContact CG1-CB 4.15Å; I395-A448 HydrophobicContact CG2-CB 4.35Å; V409-A448 HydrophobicContact CG1-CB 3.64Å; V409-A448 WeakPolarHBondContact CG1-O 3.49Å; C413-A448 HydrophobicContact CB-CB 4.26Å; L415-A448 HydrophobicContact CD1-CB 3.64Å; R444-A448 VanDerWaalsContact O-CB 3.29Å; R444-A448 WeakPolarHBondContact O-CB 3.35Å; R444-A448 PolarHBondContact O-N 3.44Å; I445-A448 PolarHBondContact O-N 3.09Å; A448-Y452 WeakPolarHBondContact O-CB 3.25Å; A448-Y452 PolarHBondContact O-N 3.2Å |
| 449 | R | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | 171.1 | -176.2 | -165 | -66.9 | 143.3 | -5 | 112.4 | W385 N394 M397 I445 L447 Y452 A453 | W385-R449 VanDerWaalsContact O-CZ 3.29Å; W385-R449 PolarHBondContact O-NH1 3.21Å; W385-R449 PolarHBondContact O-NH2 2.87Å; N394-R449 PolarHBondContact O-NE 3.29Å; N394-R449 PolarHBondContact O-NH2 3.5Å; N394-R449 PolarHBondContact OD1-NH2 2.93Å; M397-R449 HydrophobicContact CB-CG 4.14Å; M397-R449 HydrophobicContact CG-CG 4.37Å; M397-R449 HydrophobicContact SD-CG 4.29Å; I445-R449 PolarHBondContact O-N 3.33Å; L447-R449 PolarHBondContact O-N 3.09Å; R449-Y452 PolarHBondContact O-N 2.69Å; R449-A453 WeakPolarHBondContact O-CB 3.33Å; R449-A453 PolarHBondContact O-N 2.71Å |
| 450 | A | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | A378 V380 S446 L447 A453 N454 F458 Y849 | A378-A450 HydrophobicContact CB-CB 4.09Å; V380-A450 HydrophobicContact CG2-CB 3.54Å; S446-A450 PolarHBondContact O-N 3.07Å; L447-A450 WeakPolarHBondContact O-CA 3.49Å; L447-A450 WeakPolarHBondContact O-CB 3.33Å; L447-A450 PolarHBondContact O-N 3.06Å; A450-A453 PolarHBondContact O-N 3.1Å; A450-N454 PolarHBondContact O-N 3Å; A450-F458 HydrophobicContact CB-CD1 4.38Å; A450-F458 HydrophobicContact CB-CE1 4.11Å; A450-F458 WeakPolarHBondContact O-CE1 3.41Å; A450-Y849 WeakPolarHBondContact CA-OH 3.2Å; A450-Y849 WeakPolarHBondContact CB-OH 3.47Å |
| 451 | V | 94.5 | Very high | 93 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 4% | 0.036 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 177.2 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | V409 L447 A453 N454 C479 E483 L484 | V409-V451 HydrophobicContact CG1-CB 4.42Å; V409-V451 HydrophobicContact CG2-CB 4.33Å; V409-V451 HydrophobicContact CG2-CG1 3.9Å; L447-V451 HydrophobicContact CD1-CG2 4.44Å; L447-V451 HydrophobicContact CG-CG2 4.43Å; L447-V451 WeakPolarHBondContact O-CG2 3.43Å; L447-V451 PolarHBondContact O-N 2.77Å; V451-A453 PolarHBondContact O-N 3.42Å; V451-N454 PolarHBondContact O-N 2.93Å; V451-C479 WeakPolarHBondContact CG2-SG 3.43Å; V451-E483 HydrophobicContact CG1-CG 3.84Å; V451-L484 HydrophobicContact CG1-CD2 4.48Å; V451-L484 HydrophobicContact CG2-CD2 4.48Å |
| 452 | Y | 95.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.012 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62 | -32.1 | 175.9 | -166.5 | -86.1 | 0 | 0 | 0 | 112.2 | I395 L396 E399 A400 N402 K405 Y406 V409 A448 R449 N454 | I395-Y452 HydrophobicContact CG2-CG 4.26Å; L396-Y452 HydrophobicContact CD2-CD1 4.01Å; L396-Y452 HydrophobicContact CD2-CE1 3.35Å; L396-Y452 HydrophobicContact CD2-CE2 4.06Å; E399-Y452 HydrophobicContact CB-CE1 4.27Å; A400-Y452 PolarHBondContact O-OH 2.79Å; N402-Y452 PolarHBondContact N-OH 3.29Å; K405-Y452 HydrophobicContact CB-CE2 3.93Å; K405-Y452 HydrophobicContact CD-CD2 4.09Å; K405-Y452 HydrophobicContact CD-CE2 3.82Å; K405-Y452 WeakPolarHBondContact CE-O 3.44Å; K405-Y452 HydrophobicContact CG-CD2 4.06Å; K405-Y452 HydrophobicContact CG-CE2 3.87Å; K405-Y452 PolarHBondContact NZ-O 3.04Å; Y406-Y452 HydrophobicContact CD2-CD2 4.27Å; Y406-Y452 HydrophobicContact CD2-CE2 4.19Å; V409-Y452 HydrophobicContact CG2-CD2 4.3Å; A448-Y452 WeakPolarHBondContact O-CB 3.25Å; A448-Y452 PolarHBondContact O-N 3.2Å; R449-Y452 PolarHBondContact O-N 2.69Å; Y452-N454 VanDerWaalsContact C-N 3.3Å; Y452-N454 PolarHBondContact O-N 3.43Å |
| 453 | A | 91.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 11.9 Ų | 11.9 | 6% | 0.058 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.3 | -21 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R449 A450 V451 K455 Y849 | R449-A453 WeakPolarHBondContact O-CB 3.33Å; R449-A453 PolarHBondContact O-N 2.71Å; A450-A453 PolarHBondContact O-N 3.1Å; V451-A453 PolarHBondContact O-N 3.42Å; A453-K455 HydrophobicContact CB-CG 4.24Å; A453-K455 WeakPolarHBondContact O-CE 3.5Å; A453-K455 PolarHBondContact O-N 3.35Å; A453-K455 PolarHBondContact O-NZ 3.05Å; A453-Y849 HydrophobicContact CB-CD1 4Å; A453-Y849 HydrophobicContact CB-CE1 3.59Å |
| 454 | N | 92.1 | Very high | 93.1 | Very high | 84 Ų | 84 | 11.5 Ų | 11.5 | 45% | 0.449 | 6% | 0.059 | S | C | . | . | trans | 41.5 | 63.7 | 177.4 | -173.6 | 8.7 | 0 | 0 | 0 | 113.8 | A450 V451 Y452 K487 | A450-N454 PolarHBondContact O-N 3Å; V451-N454 PolarHBondContact O-N 2.93Å; Y452-N454 VanDerWaalsContact C-N 3.3Å; Y452-N454 PolarHBondContact O-N 3.43Å; N454-K487 WeakPolarHBondContact OD1-CE 3.24Å; N454-K487 PolarHBondContact OD1-NZ 3.26Å | ||
| 455 | K | 92.1 | Very high | 92.5 | Very high | 37 Ų | 37 | 13.3 Ų | 13.3 | 16% | 0.161 | 8% | 0.075 | C | C | . | . | trans | -89.8 | -175.2 | 175.6 | -53.6 | -56.6 | 176.9 | -128 | 0 | 110.7 | T376 A378 E399 A453 F458 K487 Y849 | T376-K455 WeakPolarHBondContact O-CB 3.43Å; T376-K455 WeakPolarHBondContact OG1-CB 3.21Å; A378-K455 HydrophobicContact CB-CB 3.86Å; A378-K455 HydrophobicContact CB-CG 3.94Å; E399-K455 IonicContact OE1-NZ 3.77Å; E399-K455 PolarHBondContact OE1-NZ 3.31Å; A453-K455 HydrophobicContact CB-CG 4.24Å; A453-K455 WeakPolarHBondContact O-CE 3.5Å; A453-K455 PolarHBondContact O-N 3.35Å; A453-K455 PolarHBondContact O-NZ 3.05Å; K455-F458 VanDerWaalsContact O-CE2 3.31Å; K455-F458 WeakPolarHBondContact O-CE2 3.34Å; K455-K487 WeakPolarHBondContact O-CD 3.49Å; K455-K487 WeakPolarHBondContact O-CE 3.48Å; K455-K487 PolarHBondContact O-NZ 2.7Å; K455-Y849 HydrophobicContact CG-CD1 4.5Å; K455-Y849 HydrophobicContact CG-CE1 4.38Å | ||
| 456 | D | 92.3 | Very high | 91.5 | Very high | 67 Ų | 67 | 15.4 Ų | 15.4 | 36% | 0.358 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -97.4 | -34.9 | -169.2 | -48.5 | -58.9 | 0 | 0 | 0 | 112.6 | T376 K487 S488 | T376-D456 WeakPolarHBondContact CB-OD2 3.36Å; T376-D456 PolarHBondContact N-OD2 3.19Å; T376-D456 PolarHBondContact O-N 2.95Å; T376-D456 PolarHBondContact OG1-N 3.43Å; T376-D456 PolarHBondContact OG1-OD2 2.94Å; D456-K487 IonicContact OD1-NZ 3.67Å; D456-S488 PolarHBondContact O-N 2.9Å |
| 457 | I | 94.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.8 | 178.1 | -55.8 | 169.1 | 0 | 0 | 0 | 108.4 | A310 V311 A373 T376 F377 A378 L459 S488 | A310-I457 HydrophobicContact CB-CD1 4.41Å; A310-I457 HydrophobicContact CB-CG1 4.31Å; A310-I457 WeakPolarHBondContact O-CD1 3.45Å; V311-I457 HydrophobicContact CG2-CD1 3.99Å; V311-I457 HydrophobicContact CG2-CG2 4.22Å; A373-I457 HydrophobicContact CB-CD1 4.41Å; T376-I457 PolarHBondContact O-N 3.05Å; F377-I457 CarbonylContact C-O 3.54Å; F377-I457 WeakPolarHBondContact CA-O 3.34Å; F377-I457 HydrophobicContact CD1-CB 3.79Å; F377-I457 HydrophobicContact CD1-CD1 4.13Å; F377-I457 HydrophobicContact CD1-CG2 3.83Å; F377-I457 HydrophobicContact CE1-CB 4.1Å; F377-I457 HydrophobicContact CE1-CD1 3.62Å; F377-I457 HydrophobicContact CE1-CG1 4.46Å; F377-I457 HydrophobicContact CE1-CG2 3.96Å; F377-I457 HydrophobicContact CZ-CD1 4.24Å; A378-I457 PolarHBondContact N-O 3.28Å; I457-L459 HydrophobicContact CG2-CD2 4.09Å; I457-L459 HydrophobicContact CG2-CG 4.48Å; I457-S488 CarbonylContact C-O 3.56Å; I457-S488 VanDerWaalsContact CA-O 3.32Å; I457-S488 WeakPolarHBondContact CA-O 3.34Å |
| 458 | F | 95.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.4 | 176.5 | -77.3 | -103.1 | 0 | 0 | 0 | 110.4 | A378 A450 K455 L460 L484 K487 S488 I489 I490 | A378-F458 HydrophobicContact CB-CD1 3.8Å; A378-F458 HydrophobicContact CB-CE1 3.75Å; A378-F458 HydrophobicContact CB-CG 4.28Å; A378-F458 HydrophobicContact CB-CZ 4.18Å; A450-F458 HydrophobicContact CB-CD1 4.38Å; A450-F458 HydrophobicContact CB-CE1 4.11Å; A450-F458 WeakPolarHBondContact O-CE1 3.41Å; K455-F458 VanDerWaalsContact O-CE2 3.31Å; K455-F458 WeakPolarHBondContact O-CE2 3.34Å; F458-L460 HydrophobicContact CB-CG 4.5Å; F458-L484 HydrophobicContact CD1-CD1 3.91Å; F458-L484 HydrophobicContact CD1-CD2 4.24Å; F458-L484 HydrophobicContact CD2-CD2 4.26Å; F458-L484 HydrophobicContact CE1-CD1 4.11Å; F458-L484 HydrophobicContact CE1-CD2 3.68Å; F458-L484 HydrophobicContact CE2-CD2 3.71Å; F458-L484 HydrophobicContact CG-CD1 4.15Å; F458-L484 HydrophobicContact CZ-CD2 3.39Å; F458-K487 HydrophobicContact CD2-CB 4.01Å; F458-K487 HydrophobicContact CD2-CG 4.37Å; F458-K487 HydrophobicContact CE2-CB 4.15Å; F458-K487 HydrophobicContact CE2-CD 4.38Å; F458-K487 HydrophobicContact CE2-CG 3.99Å; F458-S488 PolarHBondContact N-O 3.47Å; F458-I489 HydrophobicContact CB-CG1 4.35Å; F458-I489 HydrophobicContact CB-CG2 4.27Å; F458-I490 PolarHBondContact O-N 2.85Å |
| 459 | L | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 106 | 176.2 | -57.5 | 177.2 | 0 | 0 | 0 | 107.9 | I357 I360 L361 F377 A378 Y379 V380 I457 I490 | I357-L459 HydrophobicContact CG2-CB 4.06Å; I357-L459 HydrophobicContact CG2-CD1 4.25Å; I360-L459 HydrophobicContact CB-CD1 4.37Å; I360-L459 HydrophobicContact CD1-CD2 4.01Å; I360-L459 HydrophobicContact CG2-CD1 3.91Å; I360-L459 HydrophobicContact CG2-CD2 4.42Å; L361-L459 HydrophobicContact CD2-CD1 3.93Å; L361-L459 HydrophobicContact CG-CD1 4.21Å; F377-L459 HydrophobicContact CD1-CD1 3.79Å; F377-L459 HydrophobicContact CD1-CG 4.22Å; F377-L459 HydrophobicContact CE1-CD1 4.37Å; F377-L459 HydrophobicContact CG-CD1 4.35Å; A378-L459 PolarHBondContact O-N 3.49Å; Y379-L459 HydrophobicContact CD2-CB 4.01Å; Y379-L459 WeakPolarHBondContact CD2-O 3.34Å; V380-L459 PolarHBondContact N-O 3.22Å; I457-L459 HydrophobicContact CG2-CD2 4.09Å; I457-L459 HydrophobicContact CG2-CG 4.48Å; L459-I490 HydrophobicContact CD2-CB 4.16Å; L459-I490 HydrophobicContact CD2-CD1 3.9Å; L459-I490 HydrophobicContact CD2-CG1 4.23Å |
| 460 | L | 95.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 101.7 | -173.3 | -61.5 | -177.1 | 0 | 0 | 0 | 109.7 | V380 L447 F458 D462 P463 I480 I489 I490 L491 V492 | V380-L460 HydrophobicContact CB-CD2 3.91Å; V380-L460 HydrophobicContact CG2-CD2 3.65Å; L447-L460 HydrophobicContact CD1-CD2 4.03Å; F458-L460 HydrophobicContact CB-CG 4.5Å; L460-D462 PolarHBondContact O-N 3.47Å; L460-P463 HydrophobicContact CB-CG 4.07Å; L460-I480 HydrophobicContact CD1-CD1 4.13Å; L460-I480 HydrophobicContact CD1-CG1 4.29Å; L460-I489 HydrophobicContact CD1-CG2 3.79Å; L460-I489 HydrophobicContact CG-CG2 4.31Å; L460-I490 PolarHBondContact N-O 3.07Å; L460-L491 HydrophobicContact CB-CD1 3.89Å; L460-L491 HydrophobicContact CD1-CD1 4.23Å; L460-V492 PolarHBondContact O-N 2.97Å |
| 461 | D | 93.7 | Very high | 86.9 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 84.3 | -179.7 | -173.8 | 44.7 | 0 | 0 | 0 | 109.4 | T354 I357 Y379 V380 Q382 | T354-D461 WeakPolarHBondContact CB-OD1 3.39Å; T354-D461 WeakPolarHBondContact CG2-OD1 3.06Å; T354-D461 WeakPolarHBondContact CG2-OD2 3.26Å; T354-D461 PolarHBondContact OG1-OD1 3.29Å; I357-D461 HydrophobicContact CD1-CB 3.73Å; Y379-D461 HydrophobicContact CE2-CB 4Å; V380-D461 VanDerWaalsContact O-CB 3.3Å; V380-D461 WeakPolarHBondContact O-CB 3.31Å; V380-D461 PolarHBondContact O-N 3.01Å; Q382-D461 WeakPolarHBondContact CA-O 3.38Å; Q382-D461 WeakPolarHBondContact CB-O 3.29Å; Q382-D461 VanDerWaalsContact CB-OD2 3.27Å; Q382-D461 WeakPolarHBondContact CB-OD2 3.42Å; Q382-D461 PolarHBondContact N-O 2.77Å; Q382-D461 VanDerWaalsContact N-O 3.15Å; Q382-D461 PolarHBondContact N-OD2 2.87Å |
| 462 | D | 90.3 | Very high | 86.4 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 51.4 | 56.6 | 176.6 | -164.3 | 45.6 | 0 | 0 | 0 | 115.5 | Q382 Q443 L460 L464 S465 V492 T493 H494 | Q382-D462 HydrophobicContact CG-CB 4.31Å; Q382-D462 PolarHBondContact NE2-OD2 2.88Å; Q443-D462 PolarHBondContact NE2-O 3.43Å; L460-D462 PolarHBondContact O-N 3.47Å; D462-L464 VanDerWaalsContact C-N 3.26Å; D462-L464 PolarHBondContact O-N 3.42Å; D462-S465 VanDerWaalsContact CG-OG 3.29Å; D462-S465 PolarHBondContact O-OG 3.35Å; D462-S465 WeakPolarHBondContact OD2-CB 3.39Å; D462-S465 PolarHBondContact OD2-OG 3.39Å; D462-V492 WeakPolarHBondContact CA-O 3.49Å; D462-V492 PolarHBondContact N-O 2.87Å; D462-T493 VanDerWaalsContact OD1-CA 3.32Å; D462-T493 WeakPolarHBondContact OD1-CA 3.32Å; D462-T493 PolarHBondContact OD1-OG1 3.39Å; D462-T493 VanDerWaalsContact OD1-OG1 3.07Å; D462-H494 PolarHBondContact OD1-N 2.84Å; D462-H494 VanDerWaalsContact OD1-N 3.1Å |
| 463 | P | 89.1 | Confident | 85.9 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 3.8 | -171 | 36.5 | -40.6 | 0 | 0 | 0 | 115.1 | V380 Q443 L460 L491 | V380-P463 HydrophobicContact CG1-CB 4.09Å; Q443-P463 PolarHBondContact OE1-O 2.65Å; L460-P463 HydrophobicContact CB-CG 4.07Å; P463-L491 HydrophobicContact CG-CD1 4.14Å |
| 464 | L | 87.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -10 | -175.3 | -56 | -178.3 | 0 | 0 | 0 | 113.4 | D462 A466 V467 I475 Q495 Y498 | D462-L464 VanDerWaalsContact C-N 3.26Å; D462-L464 PolarHBondContact O-N 3.42Å; L464-A466 VanDerWaalsContact C-N 3.32Å; L464-A466 PolarHBondContact O-N 2.97Å; L464-V467 PolarHBondContact O-N 3.39Å; L464-I475 HydrophobicContact CD2-CB 4.13Å; L464-I475 HydrophobicContact CD2-CG2 3.73Å; L464-Q495 PolarHBondContact O-NE2 3.12Å; L464-Y498 HydrophobicContact CD1-CD2 3.71Å; L464-Y498 HydrophobicContact CD1-CE2 3.46Å; L464-Y498 VanDerWaalsContact CD1-CE2 3.46Å |
| 465 | S | 78.6 | Confident | 85.8 | Confident | 56 Ų | 56 | 32.5 Ų | 32.5 | 39% | 0.392 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22 | -172.9 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | D462 | D462-S465 VanDerWaalsContact CG-OG 3.29Å; D462-S465 PolarHBondContact O-OG 3.35Å; D462-S465 WeakPolarHBondContact OD2-CB 3.39Å; D462-S465 PolarHBondContact OD2-OG 3.39Å |
| 466 | A | 73.1 | Confident | 85.8 | Confident | 49 Ų | 49 | 31 Ų | 31 | 41% | 0.405 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 16.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G440 Q443 L464 | G440-A466 WeakPolarHBondContact CA-O 2.94Å; G440-A466 PolarHBondContact N-O 2.89Å; Q443-A466 HydrophobicContact CG-CB 4.44Å; L464-A466 VanDerWaalsContact C-N 3.32Å; L464-A466 PolarHBondContact O-N 2.97Å |
| 467 | V | 77.1 | Confident | 85.8 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -125.1 | 137.9 | -169.7 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | R444 L464 V471 I475 | R444-V467 HydrophobicContact CG-CG2 4.36Å; L464-V467 PolarHBondContact O-N 3.39Å; V467-V471 HydrophobicContact CG1-CB 3.63Å; V467-V471 HydrophobicContact CG1-CG1 3.59Å; V467-I475 HydrophobicContact CG1-CD1 4.39Å |
| 468 | D | 71.9 | Confident | 85.7 | Confident | 82 Ų | 82 | 34.6 Ų | 34.6 | 44% | 0.439 | 19% | 0.189 | S | C | . | . | trans | -58.7 | 139.5 | 177.9 | -45.7 | -93.4 | 0 | 0 | 0 | 111.3 | H470 V471 G472 T1012 | D468-H470 VanDerWaalsContact C-N 3.3Å; D468-H470 PolarHBondContact O-N 2.78Å; D468-H470 VanDerWaalsContact O-N 3.08Å; D468-V471 CarbonylContact O-C 3.5Å; D468-V471 WeakPolarHBondContact O-CA 3.48Å; D468-V471 PolarHBondContact O-N 3.17Å; D468-G472 PolarHBondContact O-N 3Å; D468-T1012 PolarHBondContact OD1-OG1 3.34Å | ||
| 469 | A | 69.3 | Low | 85.5 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -51.6 | -40.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G472 K473 | A469-G472 PolarHBondContact O-N 3.2Å; A469-K473 PolarHBondContact O-N 2.84Å |
| 470 | H | 73.8 | Confident | 85.4 | Confident | 151 Ų | 151 | 34.8 Ų | 34.8 | 70% | 0.699 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60.8 | -43.7 | 174.6 | 174.2 | -73.3 | 0 | 0 | 0 | 112.8 | D468 G472 K473 H474 | D468-H470 VanDerWaalsContact C-N 3.3Å; D468-H470 PolarHBondContact O-N 2.78Å; D468-H470 VanDerWaalsContact O-N 3.08Å; H470-G472 VanDerWaalsContact C-N 3.34Å; H470-K473 PolarHBondContact O-N 3.45Å; H470-H474 PolarHBondContact O-N 3.31Å; H470-H474 VanDerWaalsContact O-N 3.07Å |
| 471 | V | 82.4 | Confident | 85.1 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73 | -32.7 | 178 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | V467 D468 I475 | V467-V471 HydrophobicContact CG1-CB 3.63Å; V467-V471 HydrophobicContact CG1-CG1 3.59Å; D468-V471 CarbonylContact O-C 3.5Å; D468-V471 WeakPolarHBondContact O-CA 3.48Å; D468-V471 PolarHBondContact O-N 3.17Å; V471-I475 HydrophobicContact CG1-CD1 3.96Å; V471-I475 WeakPolarHBondContact O-CB 3.47Å; V471-I475 VanDerWaalsContact O-CG1 3.27Å; V471-I475 WeakPolarHBondContact O-CG1 3.35Å; V471-I475 PolarHBondContact O-N 2.88Å |
| 472 | G | 84.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -49.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D468 A469 H470 I475 F476 | D468-G472 PolarHBondContact O-N 3Å; A469-G472 PolarHBondContact O-N 3.2Å; H470-G472 VanDerWaalsContact C-N 3.34Å; G472-I475 PolarHBondContact O-N 2.78Å; G472-F476 WeakPolarHBondContact O-CB 3.3Å; G472-F476 PolarHBondContact O-N 2.98Å |
| 473 | K | 84.7 | Confident | 85 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 177.3 | -172.5 | 165.8 | -177.8 | 166.8 | 0 | 112 | A469 H470 I475 F476 E477 Y498 | A469-K473 PolarHBondContact O-N 2.84Å; H470-K473 PolarHBondContact O-N 3.45Å; K473-I475 PolarHBondContact O-N 3.02Å; K473-F476 PolarHBondContact O-N 3.01Å; K473-E477 WeakPolarHBondContact CE-OE1 3.39Å; K473-E477 VanDerWaalsContact CG-OE1 3.24Å; K473-E477 WeakPolarHBondContact CG-OE1 3.31Å; K473-E477 WeakPolarHBondContact O-CB 3.48Å; K473-E477 WeakPolarHBondContact O-CG 3.36Å; K473-E477 PolarHBondContact O-N 2.89Å; K473-Y498 PolarHBondContact N-OH 3.04Å |
| 474 | H | 89 | Confident | 85.1 | Confident | 65 Ų | 65 | 49.5 Ų | 49.5 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 173.7 | -179.7 | -58 | 0 | 0 | 0 | 112.3 | D411 S414 H470 E478 | D411-H474 PolarHBondContact O-CE1 2.6Å; S414-H474 PolarHBondContact OG-CE1 3.47Å; S414-H474 VanDerWaalsContact OG-CE1 3.31Å; S414-H474 PolarHBondContact OG-ND1 3.38Å; S414-H474 VanDerWaalsContact OG-ND1 3.08Å; H470-H474 PolarHBondContact O-N 3.31Å; H470-H474 VanDerWaalsContact O-N 3.07Å; H474-E478 WeakPolarHBondContact O-CB 3.42Å; H474-E478 PolarHBondContact O-N 3.33Å |
| 475 | I | 92.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -66.8 | -39.3 | 178.1 | -71.3 | 167.7 | 0 | 0 | 0 | 110.7 | R444 L447 L464 V467 V471 G472 K473 C479 I480 | R444-I475 HydrophobicContact CG-CD1 3.64Å; L447-I475 HydrophobicContact CD2-CG2 3.44Å; L447-I475 VanDerWaalsContact CD2-CG2 3.44Å; L464-I475 HydrophobicContact CD2-CB 4.13Å; L464-I475 HydrophobicContact CD2-CG2 3.73Å; V467-I475 HydrophobicContact CG1-CD1 4.39Å; V471-I475 HydrophobicContact CG1-CD1 3.96Å; V471-I475 WeakPolarHBondContact O-CB 3.47Å; V471-I475 VanDerWaalsContact O-CG1 3.27Å; V471-I475 WeakPolarHBondContact O-CG1 3.35Å; V471-I475 PolarHBondContact O-N 2.88Å; G472-I475 PolarHBondContact O-N 2.78Å; K473-I475 PolarHBondContact O-N 3.02Å; I475-C479 HydrophobicContact CG2-CB 4.08Å; I475-C479 VanDerWaalsContact O-CA 3.3Å; I475-C479 WeakPolarHBondContact O-CA 3.25Å; I475-C479 WeakPolarHBondContact O-CB 3.2Å; I475-C479 PolarHBondContact O-N 2.98Å; I475-I480 PolarHBondContact O-N 3.18Å; I475-I480 VanDerWaalsContact O-N 3.07Å |
| 476 | F | 92.1 | Very high | 85.5 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -63.8 | -46.8 | 176.8 | -167.5 | -96.2 | 0 | 0 | 0 | 111.6 | L342 G472 K473 I480 K481 L491 Y498 F501 | L342-F476 HydrophobicContact CD2-CZ 4.22Å; G472-F476 WeakPolarHBondContact O-CB 3.3Å; G472-F476 PolarHBondContact O-N 2.98Å; K473-F476 PolarHBondContact O-N 3.01Å; F476-I480 HydrophobicContact CD2-CB 4.34Å; F476-I480 HydrophobicContact CD2-CD1 3.97Å; F476-I480 HydrophobicContact CD2-CG2 4.41Å; F476-I480 HydrophobicContact CE2-CG2 4.22Å; F476-I480 PolarHBondContact O-N 2.92Å; F476-K481 WeakPolarHBondContact O-CB 3.28Å; F476-K481 PolarHBondContact O-N 2.86Å; F476-L491 HydrophobicContact CD2-CD2 4.42Å; F476-L491 HydrophobicContact CE2-CD2 3.83Å; F476-Y498 HydrophobicContact CB-CD1 4.04Å; F476-Y498 HydrophobicContact CB-CE1 3.93Å; F476-Y498 AromaticContact CD1-CD1 3.84Å; F476-Y498 HydrophobicContact CD1-CD1 3.84Å; F476-Y498 HydrophobicContact CD1-CE1 4.4Å; F476-Y498 AromaticContact CD2-CD1 3.84Å; F476-Y498 HydrophobicContact CD2-CD1 3.84Å; F476-Y498 AromaticContact CD2-CG 3.88Å; F476-Y498 HydrophobicContact CD2-CG 3.88Å; F476-Y498 HydrophobicContact CE1-CD1 4.28Å; F476-Y498 HydrophobicContact CE2-CD1 4.3Å; F476-Y498 HydrophobicContact CE2-CG 4.15Å; F476-Y498 AromaticContact CG-CD1 3.6Å; F476-Y498 HydrophobicContact CG-CD1 3.6Å; F476-Y498 HydrophobicContact CG-CE1 4.02Å; F476-Y498 HydrophobicContact CG-CG 4.15Å; F476-F501 HydrophobicContact CD1-CD2 4.38Å; F476-F501 HydrophobicContact CE1-CB 3.62Å; F476-F501 AromaticContact CE1-CD2 3.63Å; F476-F501 HydrophobicContact CE1-CD2 3.63Å; F476-F501 AromaticContact CE1-CG 3.9Å; F476-F501 HydrophobicContact CE1-CG 3.9Å; F476-F501 HydrophobicContact CZ-CB 3.79Å; F476-F501 HydrophobicContact CZ-CD2 4.25Å; F476-F501 HydrophobicContact CZ-CG 4.46Å |
| 477 | E | 90.9 | Very high | 86.5 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -74.4 | -47.1 | -177.5 | -68.9 | 177 | -163.8 | 0 | 0 | 113.8 | K473 K482 | K473-E477 WeakPolarHBondContact CE-OE1 3.39Å; K473-E477 VanDerWaalsContact CG-OE1 3.24Å; K473-E477 WeakPolarHBondContact CG-OE1 3.31Å; K473-E477 WeakPolarHBondContact O-CB 3.48Å; K473-E477 WeakPolarHBondContact O-CG 3.36Å; K473-E477 PolarHBondContact O-N 2.89Å; E477-K482 WeakPolarHBondContact O-CD 3.35Å; E477-K482 WeakPolarHBondContact O-CG 3.48Å; E477-K482 PolarHBondContact O-N 2.81Å |
| 478 | E | 91.9 | Very high | 87.3 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -86 | -38.3 | -178.3 | -57.9 | -54.5 | 142.3 | 0 | 0 | 113.3 | H474 K482 E483 | H474-E478 WeakPolarHBondContact O-CB 3.42Å; H474-E478 PolarHBondContact O-N 3.33Å; E478-K482 WeakPolarHBondContact O-CB 3.42Å; E478-K482 IonicContact OE1-NZ 3.89Å; E478-K482 PolarHBondContact OE1-NZ 2.84Å; E478-K482 WeakPolarHBondContact OE2-CD 3.48Å; E478-K482 IonicContact OE2-NZ 3.8Å; E478-K482 PolarHBondContact OE2-NZ 3.5Å; E478-E483 PolarHBondContact O-N 2.92Å |
| 479 | C | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -88.7 | -58.4 | -177.1 | -166.9 | 0 | 0 | 0 | 0 | 112.3 | V412 V451 I475 L484 | V412-C479 HydrophobicContact CG1-CB 3.4Å; V412-C479 VanDerWaalsContact CG1-CB 3.4Å; V451-C479 WeakPolarHBondContact CG2-SG 3.43Å; I475-C479 HydrophobicContact CG2-CB 4.08Å; I475-C479 VanDerWaalsContact O-CA 3.3Å; I475-C479 WeakPolarHBondContact O-CA 3.25Å; I475-C479 WeakPolarHBondContact O-CB 3.2Å; I475-C479 PolarHBondContact O-N 2.98Å; C479-L484 WeakPolarHBondContact O-CB 3.23Å; C479-L484 WeakPolarHBondContact O-CG 3.18Å; C479-L484 PolarHBondContact O-N 3.27Å |
| 480 | I | 92.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -76.4 | -41.4 | -169.8 | -62.1 | 174.2 | 0 | 0 | 0 | 110.7 | L342 L460 I475 F476 I489 | L342-I480 HydrophobicContact CD1-CG2 4.29Å; L342-I480 HydrophobicContact CD2-CG2 4.23Å; L460-I480 HydrophobicContact CD1-CD1 4.13Å; L460-I480 HydrophobicContact CD1-CG1 4.29Å; I475-I480 PolarHBondContact O-N 3.18Å; I475-I480 VanDerWaalsContact O-N 3.07Å; F476-I480 HydrophobicContact CD2-CB 4.34Å; F476-I480 HydrophobicContact CD2-CD1 3.97Å; F476-I480 HydrophobicContact CD2-CG2 4.41Å; F476-I480 HydrophobicContact CE2-CG2 4.22Å; F476-I480 PolarHBondContact O-N 2.92Å; I480-I489 HydrophobicContact CG2-CD1 4.15Å |
| 481 | K | 89.9 | Confident | 90.7 | Very high | 118 Ų | 118 | 44 Ų | 44 | 51% | 0.513 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -87.9 | -30.7 | -176 | -166.4 | 171.6 | -174.1 | 170.6 | 0 | 114.8 | F476 | F476-K481 WeakPolarHBondContact O-CB 3.28Å; F476-K481 PolarHBondContact O-N 2.86Å |
| 482 | K | 89.8 | Confident | 91.2 | Very high | 113 Ų | 113 | 42.7 Ų | 42.7 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -105.5 | -66.4 | -178 | -69.8 | 167.8 | -179.1 | 171.9 | 0 | 113.9 | E477 E478 L484 Q485 | E477-K482 WeakPolarHBondContact O-CD 3.35Å; E477-K482 WeakPolarHBondContact O-CG 3.48Å; E477-K482 PolarHBondContact O-N 2.81Å; E478-K482 WeakPolarHBondContact O-CB 3.42Å; E478-K482 IonicContact OE1-NZ 3.89Å; E478-K482 PolarHBondContact OE1-NZ 2.84Å; E478-K482 WeakPolarHBondContact OE2-CD 3.48Å; E478-K482 IonicContact OE2-NZ 3.8Å; E478-K482 PolarHBondContact OE2-NZ 3.5Å; K482-L484 VanDerWaalsContact C-N 3.27Å; K482-L484 PolarHBondContact O-N 3.47Å; K482-Q485 WeakPolarHBondContact O-CB 3.31Å; K482-Q485 PolarHBondContact O-N 2.94Å |
| 483 | E | 91.8 | Very high | 91.4 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 38% | 0.379 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -65.1 | -29.1 | -174.5 | -175.1 | 70.8 | -174.1 | 0 | 0 | 112.8 | V412 V451 E478 | V412-E483 HydrophobicContact CG1-CB 3.99Å; V412-E483 HydrophobicContact CG1-CG 4.36Å; V412-E483 HydrophobicContact CG2-CB 4.36Å; V451-E483 HydrophobicContact CG1-CG 3.84Å; E478-E483 PolarHBondContact O-N 2.92Å |
| 484 | L | 91.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.6 | 174.6 | -61.3 | -177.5 | 0 | 0 | 0 | 114.4 | V451 F458 C479 K482 G486 K487 I489 | V451-L484 HydrophobicContact CG1-CD2 4.48Å; V451-L484 HydrophobicContact CG2-CD2 4.48Å; F458-L484 HydrophobicContact CD1-CD1 3.91Å; F458-L484 HydrophobicContact CD1-CD2 4.24Å; F458-L484 HydrophobicContact CD2-CD2 4.26Å; F458-L484 HydrophobicContact CE1-CD1 4.11Å; F458-L484 HydrophobicContact CE1-CD2 3.68Å; F458-L484 HydrophobicContact CE2-CD2 3.71Å; F458-L484 HydrophobicContact CG-CD1 4.15Å; F458-L484 HydrophobicContact CZ-CD2 3.39Å; C479-L484 WeakPolarHBondContact O-CB 3.23Å; C479-L484 WeakPolarHBondContact O-CG 3.18Å; C479-L484 PolarHBondContact O-N 3.27Å; K482-L484 VanDerWaalsContact C-N 3.27Å; K482-L484 PolarHBondContact O-N 3.47Å; L484-G486 PolarHBondContact O-N 2.76Å; L484-K487 VanDerWaalsContact O-CB 3.29Å; L484-K487 WeakPolarHBondContact O-CB 3.37Å; L484-K487 PolarHBondContact O-N 2.8Å; L484-I489 HydrophobicContact CB-CD1 3.8Å; L484-I489 HydrophobicContact CD1-CD1 4.19Å |
| 485 | Q | 87.9 | Confident | 91 | Very high | 166 Ų | 166 | 41.9 Ų | 41.9 | 78% | 0.776 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 129.7 | -178.9 | -169.7 | 177.1 | 23 | 0 | 0 | 112 | K482 K487 | K482-Q485 WeakPolarHBondContact O-CB 3.31Å; K482-Q485 PolarHBondContact O-N 2.94Å; Q485-K487 VanDerWaalsContact C-N 3.29Å; Q485-K487 PolarHBondContact O-N 2.8Å |
| 486 | G | 86.9 | Confident | 90.6 | Very high | 58 Ų | 58 | 43.6 Ų | 43.6 | 60% | 0.598 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 4.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | L484 | L484-G486 PolarHBondContact O-N 2.76Š|
| 487 | K | 92.8 | Very high | 90.1 | Very high | 48 Ų | 48 | 45.6 Ų | 45.6 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -87.7 | 157.3 | 163.2 | -60.2 | -62.7 | -170.6 | 155.4 | 0 | 110.1 | G340 N454 K455 D456 F458 L484 Q485 | G340-K487 CarbonylContact C-O 3.34Å; G340-K487 WeakPolarHBondContact CA-O 3.19Å; N454-K487 WeakPolarHBondContact OD1-CE 3.24Å; N454-K487 PolarHBondContact OD1-NZ 3.26Å; K455-K487 WeakPolarHBondContact O-CD 3.49Å; K455-K487 WeakPolarHBondContact O-CE 3.48Å; K455-K487 PolarHBondContact O-NZ 2.7Å; D456-K487 IonicContact OD1-NZ 3.67Å; F458-K487 HydrophobicContact CD2-CB 4.01Å; F458-K487 HydrophobicContact CD2-CG 4.37Å; F458-K487 HydrophobicContact CE2-CB 4.15Å; F458-K487 HydrophobicContact CE2-CD 4.38Å; F458-K487 HydrophobicContact CE2-CG 3.99Å; L484-K487 VanDerWaalsContact O-CB 3.29Å; L484-K487 WeakPolarHBondContact O-CB 3.37Å; L484-K487 PolarHBondContact O-N 2.8Å; Q485-K487 VanDerWaalsContact C-N 3.29Å; Q485-K487 PolarHBondContact O-N 2.8Å |
| 488 | S | 94.6 | Very high | 89.9 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123 | 178.7 | -42.8 | 0 | 0 | 0 | 0 | 108.7 | A310 K339 G340 D456 I457 F458 | A310-S488 VanDerWaalsContact CB-OG 3.28Å; A310-S488 WeakPolarHBondContact CB-OG 3.41Å; K339-S488 WeakPolarHBondContact CA-OG 3.42Å; G340-S488 PolarHBondContact N-OG 2.99Å; G340-S488 VanDerWaalsContact N-OG 3.09Å; D456-S488 PolarHBondContact O-N 2.9Å; I457-S488 CarbonylContact C-O 3.56Å; I457-S488 VanDerWaalsContact CA-O 3.32Å; I457-S488 WeakPolarHBondContact CA-O 3.34Å; F458-S488 PolarHBondContact N-O 3.47Å |
| 489 | I | 95.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.1 | -168.3 | -48.2 | 178.7 | 0 | 0 | 0 | 110.2 | N341 L342 L343 F458 L460 I480 L484 | N341-I489 PolarHBondContact O-N 3.14Å; L342-I489 HydrophobicContact CD1-CB 3.72Å; L342-I489 HydrophobicContact CD1-CD1 4.49Å; L342-I489 HydrophobicContact CD1-CG2 3.62Å; L343-I489 PolarHBondContact N-O 3.16Å; F458-I489 HydrophobicContact CB-CG1 4.35Å; F458-I489 HydrophobicContact CB-CG2 4.27Å; L460-I489 HydrophobicContact CD1-CG2 3.79Å; L460-I489 HydrophobicContact CG-CG2 4.31Å; I480-I489 HydrophobicContact CG2-CD1 4.15Å; L484-I489 HydrophobicContact CB-CD1 3.8Å; L484-I489 HydrophobicContact CD1-CD1 4.19Å |
| 490 | I | 95.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 113.1 | 165.2 | -57 | -177.9 | 0 | 0 | 0 | 107.5 | F335 L337 L343 V345 I360 F458 L459 L460 | F335-I490 HydrophobicContact CE2-CD1 4.35Å; F335-I490 HydrophobicContact CZ-CD1 4.35Å; L337-I490 HydrophobicContact CD2-CD1 4.11Å; L337-I490 HydrophobicContact CD2-CG1 3.74Å; L343-I490 HydrophobicContact CD2-CG1 4.39Å; L343-I490 WeakPolarHBondContact O-CA 3.28Å; V345-I490 HydrophobicContact CG2-CG2 3.93Å; I360-I490 HydrophobicContact CD1-CD1 3.59Å; F458-I490 PolarHBondContact O-N 2.85Å; L459-I490 HydrophobicContact CD2-CB 4.16Å; L459-I490 HydrophobicContact CD2-CD1 3.9Å; L459-I490 HydrophobicContact CD2-CG1 4.23Å; L460-I490 PolarHBondContact N-O 3.07Å |
| 491 | L | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 98.8 | 179 | 179.3 | 61.6 | 0 | 0 | 0 | 109.9 | L342 L343 G344 V345 L460 P463 F476 T493 | L342-L491 HydrophobicContact CD1-CB 3.93Å; L342-L491 HydrophobicContact CD1-CD2 4.49Å; L343-L491 PolarHBondContact O-N 3.08Å; G344-L491 CarbonylContact C-O 3.29Å; G344-L491 WeakPolarHBondContact CA-O 3.47Å; V345-L491 PolarHBondContact N-O 2.74Å; L460-L491 HydrophobicContact CB-CD1 3.89Å; L460-L491 HydrophobicContact CD1-CD1 4.23Å; P463-L491 HydrophobicContact CG-CD1 4.14Å; F476-L491 HydrophobicContact CD2-CD2 4.42Å; F476-L491 HydrophobicContact CE2-CD2 3.83Å; L491-T493 HydrophobicContact CG-CG2 4.45Å |
| 492 | V | 94.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 128.5 | 160.2 | 168.9 | 0 | 0 | 0 | 0 | 107.2 | V345 K353 I357 L460 D462 | V345-V492 HydrophobicContact CB-CG2 3.86Å; V345-V492 HydrophobicContact CG1-CG2 4.05Å; V345-V492 HydrophobicContact CG2-CG2 4.49Å; K353-V492 HydrophobicContact CB-CG1 3.78Å; K353-V492 HydrophobicContact CB-CG2 4.28Å; K353-V492 HydrophobicContact CD-CG1 4.18Å; I357-V492 HydrophobicContact CD1-CB 4.23Å; I357-V492 HydrophobicContact CD1-CG2 3.66Å; I357-V492 HydrophobicContact CG1-CG2 4.22Å; L460-V492 PolarHBondContact O-N 2.97Å; D462-V492 WeakPolarHBondContact CA-O 3.49Å; D462-V492 PolarHBondContact N-O 2.87Å |
| 493 | T | 88.6 | Confident | 89.5 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | trans | -150.6 | 156.3 | 167.9 | -169.1 | 0 | 0 | 0 | 0 | 113 | V345 D462 L491 Q495 L499 | V345-T493 PolarHBondContact O-N 3.02Å; D462-T493 VanDerWaalsContact OD1-CA 3.32Å; D462-T493 WeakPolarHBondContact OD1-CA 3.32Å; D462-T493 PolarHBondContact OD1-OG1 3.39Å; D462-T493 VanDerWaalsContact OD1-OG1 3.07Å; L491-T493 HydrophobicContact CG-CG2 4.45Å; T493-Q495 PolarHBondContact OG1-N 2.84Å; T493-Q495 VanDerWaalsContact OG1-N 3.16Å; T493-L499 HydrophobicContact CG2-CD2 4.13Å | ||
| 494 | H | 83.4 | Confident | 89.6 | Confident | 79 Ų | 79 | 40.7 Ų | 40.7 | 37% | 0.366 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -90.1 | -12.7 | 167 | -85.7 | -89.1 | 0 | 0 | 0 | 114.1 | K353 D462 L496 | K353-H494 WeakPolarHBondContact CE-NE2 2.94Å; K353-H494 PolarHBondContact NZ-CE1 3.41Å; K353-H494 PolarHBondContact NZ-NE2 3.43Å; D462-H494 PolarHBondContact OD1-N 2.84Å; D462-H494 VanDerWaalsContact OD1-N 3.1Å; H494-L496 PolarHBondContact O-N 3.35Å |
| 495 | Q | 81.3 | Confident | 89.7 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | trans | -89.4 | 96.3 | -178.9 | -66.8 | 178.8 | 13.9 | 0 | 0 | 110.4 | L464 T493 Q497 Y498 | L464-Q495 PolarHBondContact O-NE2 3.12Å; T493-Q495 PolarHBondContact OG1-N 2.84Å; T493-Q495 VanDerWaalsContact OG1-N 3.16Å; Q495-Q497 HydrophobicContact CB-CG 4.39Å; Q495-Q497 PolarHBondContact O-N 3.18Å; Q495-Y498 HydrophobicContact CB-CD2 4Å; Q495-Y498 HydrophobicContact CB-CE2 4.09Å; Q495-Y498 PolarHBondContact O-N 2.92Å; Q495-Y498 VanDerWaalsContact OE1-CE2 3.25Å | ||
| 496 | L | 83.1 | Confident | 90 | Very high | 35 Ų | 35 | 32.6 Ų | 32.6 | 18% | 0.183 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -58.7 | -31.8 | -171.4 | -60 | -178.5 | 0 | 0 | 0 | 113.8 | C346 H494 Y498 L499 L532 | C346-L496 HydrophobicContact CB-CD2 4.47Å; H494-L496 PolarHBondContact O-N 3.35Å; L496-Y498 PolarHBondContact O-N 3.36Å; L496-L499 HydrophobicContact CB-CD1 4.4Å; L496-L499 HydrophobicContact CD2-CD1 3.69Å; L496-L499 VanDerWaalsContact O-CB 3.3Å; L496-L499 WeakPolarHBondContact O-CB 3.31Å; L496-L499 WeakPolarHBondContact O-CG 3.4Å; L496-L499 PolarHBondContact O-N 3Å; L496-L532 HydrophobicContact CD1-CB 4.19Å; L496-L532 WeakPolarHBondContact CD1-O 3.49Å |
| 497 | Q | 83.1 | Confident | 90.3 | Very high | 48 Ų | 48 | 30 Ų | 30 | 22% | 0.224 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -51.1 | -28.7 | 179.2 | 67.6 | -163.9 | 73.1 | 0 | 0 | 115.2 | Q495 | Q495-Q497 HydrophobicContact CB-CG 4.39Å; Q495-Q497 PolarHBondContact O-N 3.18Å |
| 498 | Y | 86.9 | Confident | 90.2 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -86.8 | -11.2 | 179.9 | -60 | -55.8 | 0 | 0 | 0 | 113.9 | L464 K473 F476 Q495 L496 E500 F501 | L464-Y498 HydrophobicContact CD1-CD2 3.71Å; L464-Y498 HydrophobicContact CD1-CE2 3.46Å; L464-Y498 VanDerWaalsContact CD1-CE2 3.46Å; K473-Y498 PolarHBondContact N-OH 3.04Å; F476-Y498 HydrophobicContact CB-CD1 4.04Å; F476-Y498 HydrophobicContact CB-CE1 3.93Å; F476-Y498 AromaticContact CD1-CD1 3.84Å; F476-Y498 HydrophobicContact CD1-CD1 3.84Å; F476-Y498 HydrophobicContact CD1-CE1 4.4Å; F476-Y498 AromaticContact CD2-CD1 3.84Å; F476-Y498 HydrophobicContact CD2-CD1 3.84Å; F476-Y498 AromaticContact CD2-CG 3.88Å; F476-Y498 HydrophobicContact CD2-CG 3.88Å; F476-Y498 HydrophobicContact CE1-CD1 4.28Å; F476-Y498 HydrophobicContact CE2-CD1 4.3Å; F476-Y498 HydrophobicContact CE2-CG 4.15Å; F476-Y498 AromaticContact CG-CD1 3.6Å; F476-Y498 HydrophobicContact CG-CD1 3.6Å; F476-Y498 HydrophobicContact CG-CE1 4.02Å; F476-Y498 HydrophobicContact CG-CG 4.15Å; Q495-Y498 HydrophobicContact CB-CD2 4Å; Q495-Y498 HydrophobicContact CB-CE2 4.09Å; Q495-Y498 PolarHBondContact O-N 2.92Å; Q495-Y498 VanDerWaalsContact OE1-CE2 3.25Å; L496-Y498 PolarHBondContact O-N 3.36Å; Y498-E500 VanDerWaalsContact C-N 3.33Å; Y498-E500 PolarHBondContact O-N 3.23Å; Y498-F501 PolarHBondContact O-N 3.48Å |
| 499 | L | 88.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -72.8 | -25.7 | -175.8 | -59.9 | 173.4 | 0 | 0 | 0 | 112.4 | C346 T493 L496 F501 C502 I505 Y529 | C346-L499 HydrophobicContact CB-CD1 3.52Å; C346-L499 HydrophobicContact CB-CD2 4.46Å; T493-L499 HydrophobicContact CG2-CD2 4.13Å; L496-L499 HydrophobicContact CB-CD1 4.4Å; L496-L499 HydrophobicContact CD2-CD1 3.69Å; L496-L499 VanDerWaalsContact O-CB 3.3Å; L496-L499 WeakPolarHBondContact O-CB 3.31Å; L496-L499 WeakPolarHBondContact O-CG 3.4Å; L496-L499 PolarHBondContact O-N 3Å; L499-F501 PolarHBondContact O-N 2.88Å; L499-C502 WeakPolarHBondContact O-CB 3.49Å; L499-C502 PolarHBondContact O-N 3.3Å; L499-I505 HydrophobicContact CB-CD1 4.18Å; L499-I505 VanDerWaalsContact O-CD1 3.26Å; L499-I505 WeakPolarHBondContact O-CD1 3.4Å; L499-Y529 HydrophobicContact CD1-CE2 4.17Å |
| 500 | E | 88.1 | Confident | 89.3 | Confident | 117 Ų | 117 | 36.2 Ų | 36.2 | 55% | 0.547 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -58.3 | -34.1 | 173.8 | -176.8 | 179.4 | 176.2 | 0 | 0 | 112.3 | Y498 C502 | Y498-E500 VanDerWaalsContact C-N 3.33Å; Y498-E500 PolarHBondContact O-N 3.23Å; E500-C502 VanDerWaalsContact C-N 3.34Å |
| 501 | F | 88 | Confident | 88.8 | Confident | 103 Ų | 103 | 36.3 Ų | 36.3 | 45% | 0.452 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -88.3 | 4.3 | -178.6 | -50.6 | -66.3 | 0 | 0 | 0 | 114.2 | F476 Y498 L499 | F476-F501 HydrophobicContact CD1-CD2 4.38Å; F476-F501 HydrophobicContact CE1-CB 3.62Å; F476-F501 AromaticContact CE1-CD2 3.63Å; F476-F501 HydrophobicContact CE1-CD2 3.63Å; F476-F501 AromaticContact CE1-CG 3.9Å; F476-F501 HydrophobicContact CE1-CG 3.9Å; F476-F501 HydrophobicContact CZ-CB 3.79Å; F476-F501 HydrophobicContact CZ-CD2 4.25Å; F476-F501 HydrophobicContact CZ-CG 4.46Å; Y498-F501 PolarHBondContact O-N 3.48Å; L499-F501 PolarHBondContact O-N 2.88Å |
| 502 | C | 90.9 | Very high | 88.6 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.054 | 19% | 0.189 | C | C | . | . | trans | -83.7 | 143.8 | 173 | -62.6 | 0 | 0 | 0 | 0 | 110.1 | L342 L499 E500 I505 | L342-C502 HydrophobicContact CG-CB 4.24Å; L499-C502 WeakPolarHBondContact O-CB 3.49Å; L499-C502 PolarHBondContact O-N 3.3Å; E500-C502 VanDerWaalsContact C-N 3.34Å; C502-I505 HydrophobicContact CB-CG1 4.26Å | ||
| 503 | D | 92.3 | Very high | 88.5 | Confident | 74 Ų | 74 | 41.3 Ų | 41.3 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -64.7 | -49.3 | 177.1 | -60.3 | -62.1 | 0 | 0 | 0 | 109.9 | N341 L342 N518 | N341-D503 VanDerWaalsContact CA-OD2 3.3Å; N341-D503 WeakPolarHBondContact CA-OD2 3.09Å; N341-D503 HydrophobicContact CB-CB 4.32Å; L342-D503 PolarHBondContact N-OD2 3.32Å; L342-D503 PolarHBondContact O-N 2.86Å; D503-N518 PolarHBondContact O-ND2 3.08Å |
| 504 | D | 93.5 | Very high | 88.5 | Confident | 47 Ų | 47 | 47 Ų | 47 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 151.7 | 177.2 | -72.2 | -62.9 | 0 | 0 | 0 | 110.3 | L342 L343 G344 | L342-D504 PolarHBondContact O-N 3.03Å; L343-D504 WeakPolarHBondContact CA-O 3.33Å; L343-D504 HydrophobicContact CD1-CB 3.87Å; G344-D504 PolarHBondContact N-O 2.74Å |
| 505 | I | 94.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.3 | 179.1 | -50.6 | 175.1 | 0 | 0 | 0 | 109 | G344 L499 C502 A516 G517 H519 L522 Y529 | G344-I505 CarbonylContact O-C 3.59Å; G344-I505 WeakPolarHBondContact O-CA 3.5Å; L499-I505 HydrophobicContact CB-CD1 4.18Å; L499-I505 VanDerWaalsContact O-CD1 3.26Å; L499-I505 WeakPolarHBondContact O-CD1 3.4Å; C502-I505 HydrophobicContact CB-CG1 4.26Å; I505-A516 CarbonylContact O-C 3.57Å; I505-A516 VanDerWaalsContact O-CA 3.23Å; I505-A516 WeakPolarHBondContact O-CA 3.45Å; I505-G517 WeakPolarHBondContact CB-O 3.32Å; I505-G517 PolarHBondContact N-O 3.1Å; I505-G517 PolarHBondContact O-N 3.01Å; I505-H519 HydrophobicContact CD1-CB 3.88Å; I505-L522 HydrophobicContact CB-CD1 3.94Å; I505-L522 HydrophobicContact CG2-CD1 4.22Å; I505-Y529 HydrophobicContact CD1-CE1 4.34Å; I505-Y529 HydrophobicContact CD1-CE2 3.93Å; I505-Y529 WeakPolarHBondContact CD1-OH 3.4Å; I505-Y529 HydrophobicContact CG2-CD2 4.23Å; I505-Y529 HydrophobicContact CG2-CE2 3.83Å |
| 506 | L | 93.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 123.8 | 178.2 | -177.7 | 148.6 | 0 | 0 | 0 | 110.8 | F335 L343 G344 V345 C346 L356 L508 V513 | F335-L506 HydrophobicContact CB-CD1 3.68Å; F335-L506 HydrophobicContact CD1-CD1 4.12Å; F335-L506 HydrophobicContact CG-CD1 3.94Å; L343-L506 HydrophobicContact CD1-CB 4.18Å; G344-L506 PolarHBondContact O-N 3.19Å; V345-L506 WeakPolarHBondContact CA-O 3.32Å; V345-L506 HydrophobicContact CG1-CD2 4.21Å; C346-L506 PolarHBondContact N-O 3.36Å; L356-L506 HydrophobicContact CD2-CD2 4.33Å; L506-L508 HydrophobicContact CD2-CD1 4.32Å; L506-L508 HydrophobicContact CD2-CD2 4.27Å; L506-L508 HydrophobicContact CD2-CG 3.76Å; L506-V513 HydrophobicContact CD1-CG1 4.28Å; L506-V513 HydrophobicContact CD1-CG2 4.08Å; L506-V513 HydrophobicContact CD2-CG2 4.24Å; L506-V513 HydrophobicContact CG-CG1 4.02Å; L506-V513 HydrophobicContact CG-CG2 4.28Å |
| 507 | V | 92.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.2 | -176.9 | -171 | 0 | 0 | 0 | 0 | 110.3 | R514 E515 Y529 | V507-R514 PolarHBondContact O-N 3.03Å; V507-E515 HydrophobicContact CB-CB 4.03Å; V507-E515 HydrophobicContact CG2-CB 3.72Å; V507-E515 PolarHBondContact N-O 3.4Å; V507-Y529 HydrophobicContact CG2-CD2 4.16Å |
| 508 | L | 90.6 | Very high | 90 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.7 | 176.3 | -81.7 | 170.5 | 0 | 0 | 0 | 112 | I333 V345 C346 S351 K353 L356 L506 E512 | I333-L508 HydrophobicContact CD1-CD2 3.94Å; V345-L508 HydrophobicContact CG1-CD1 3.85Å; C346-L508 PolarHBondContact O-N 3.19Å; S351-L508 WeakPolarHBondContact CB-O 3.45Å; S351-L508 PolarHBondContact OG-O 3.18Å; K353-L508 HydrophobicContact CB-CD1 4.38Å; K353-L508 HydrophobicContact CG-CB 4.42Å; K353-L508 HydrophobicContact CG-CD1 4.06Å; L356-L508 HydrophobicContact CB-CD1 4.34Å; L356-L508 HydrophobicContact CD2-CD1 4.18Å; L506-L508 HydrophobicContact CD2-CD1 4.32Å; L506-L508 HydrophobicContact CD2-CD2 4.27Å; L506-L508 HydrophobicContact CD2-CG 3.76Å; L508-E512 WeakPolarHBondContact CA-O 3.46Å |
| 509 | E | 87.6 | Confident | 90.2 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 131.3 | 173.4 | -162.3 | 176.5 | -110.9 | 0 | 0 | 108.8 | G511 E512 R514 R528 | E509-G511 PolarHBondContact O-N 3.47Å; E509-E512 PolarHBondContact N-O 2.78Å; E509-E512 VanDerWaalsContact N-O 3.08Å; E509-E512 PolarHBondContact O-N 3.32Å; E509-R514 HydrophobicContact CB-CG 3.67Å; E509-R514 IonicContact OE2-CZ 3.7Å; E509-R514 IonicContact OE2-NE 3.6Å; E509-R514 PolarHBondContact OE2-NE 3Å; E509-R514 IonicContact OE2-NH2 2.84Å; E509-R514 PolarHBondContact OE2-NH2 2.87Å; E509-R528 IonicContact OE1-NE 2.79Å; E509-R528 PolarHBondContact OE1-NE 2.89Å |
| 510 | E | 84.4 | Confident | 90.2 | Very high | 144 Ų | 144 | 55.2 Ų | 55.2 | 67% | 0.673 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 27.4 | -178.5 | -58.7 | -165.1 | 164 | 0 | 0 | 117.1 | K331 | K331-E510 PolarHBondContact NZ-O 3.23Š|
| 511 | G | 84.9 | Confident | 90.3 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 15.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T329 L330 K331 I333 S351 E509 | T329-G511 WeakPolarHBondContact O-CA 3.37Å; L330-G511 WeakPolarHBondContact CA-O 3.35Å; K331-G511 PolarHBondContact N-O 3.42Å; I333-G511 WeakPolarHBondContact CD1-O 3.42Å; S351-G511 PolarHBondContact O-N 3.15Å; E509-G511 PolarHBondContact O-N 3.47Å |
| 512 | E | 90.6 | Very high | 90.3 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 152 | 175.8 | -74.7 | 164.2 | -139.4 | 0 | 0 | 110.9 | K331 L508 E509 R514 | K331-E512 HydrophobicContact CB-CG 3.86Å; K331-E512 HydrophobicContact CD-CG 3.82Å; K331-E512 WeakPolarHBondContact CD-OE1 3.44Å; K331-E512 IonicContact NZ-OE1 3.46Å; K331-E512 PolarHBondContact NZ-OE1 2.95Å; L508-E512 WeakPolarHBondContact CA-O 3.46Å; E509-E512 PolarHBondContact N-O 2.78Å; E509-E512 VanDerWaalsContact N-O 3.08Å; E509-E512 PolarHBondContact O-N 3.32Å; E512-R514 IonicContact OE2-NH1 2.86Å |
| 513 | V | 91.5 | Very high | 90.2 | Very high | 43 Ų | 43 | 49.9 Ų | 49.9 | 26% | 0.261 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118 | 169 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | I333 L506 A516 | I333-V513 HydrophobicContact CD1-CG2 3.75Å; I333-V513 HydrophobicContact CG2-CG2 4.15Å; L506-V513 HydrophobicContact CD1-CG1 4.28Å; L506-V513 HydrophobicContact CD1-CG2 4.08Å; L506-V513 HydrophobicContact CD2-CG2 4.24Å; L506-V513 HydrophobicContact CG-CG1 4.02Å; L506-V513 HydrophobicContact CG-CG2 4.28Å; V513-A516 HydrophobicContact CG1-CB 4.33Å |
| 514 | R | 89.9 | Confident | 89.9 | Confident | 122 Ų | 122 | 54.4 Ų | 54.4 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -50.3 | 173.9 | -76.9 | -66.9 | -165.3 | -127.4 | -6.2 | 112.2 | V507 E509 E512 | V507-R514 PolarHBondContact O-N 3.03Å; E509-R514 HydrophobicContact CB-CG 3.67Å; E509-R514 IonicContact OE2-CZ 3.7Å; E509-R514 IonicContact OE2-NE 3.6Å; E509-R514 PolarHBondContact OE2-NE 3Å; E509-R514 IonicContact OE2-NH2 2.84Å; E509-R514 PolarHBondContact OE2-NH2 2.87Å; E512-R514 IonicContact OE2-NH1 2.86Å |
| 515 | E | 90.1 | Very high | 89.5 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 142.6 | -170.3 | -85.5 | 155.3 | -127.1 | 0 | 0 | 108.9 | V507 L522 R528 Y529 | V507-E515 HydrophobicContact CB-CB 4.03Å; V507-E515 HydrophobicContact CG2-CB 3.72Å; V507-E515 PolarHBondContact N-O 3.4Å; E515-L522 HydrophobicContact CB-CD2 4Å; E515-L522 HydrophobicContact CG-CD2 4.44Å; E515-R528 VanDerWaalsContact CD-N 3.33Å; E515-R528 WeakPolarHBondContact OE1-CB 3.47Å; E515-R528 PolarHBondContact OE1-N 3.24Å; E515-R528 PolarHBondContact OE2-N 2.61Å; E515-R528 VanDerWaalsContact OE2-N 3.16Å; E515-Y529 WeakPolarHBondContact OE2-CB 3.5Å; E515-Y529 PolarHBondContact OE2-N 2.94Å |
| 516 | A | 90.5 | Very high | 89 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 55% | 0.554 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 141.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I505 V513 | I505-A516 CarbonylContact O-C 3.57Å; I505-A516 VanDerWaalsContact O-CA 3.23Å; I505-A516 WeakPolarHBondContact O-CA 3.45Å; V513-A516 HydrophobicContact CG1-CB 4.33Å |
| 517 | G | 90.4 | Very high | 88.7 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.3 | -177.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | I505 | I505-G517 WeakPolarHBondContact CB-O 3.32Å; I505-G517 PolarHBondContact N-O 3.1Å; I505-G517 PolarHBondContact O-N 3.01Å |
| 518 | N | 91.8 | Very high | 88.3 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | trans | -69.9 | 152.1 | -179.6 | -32.1 | 85.5 | 0 | 0 | 0 | 111.4 | D503 Q520 A521 L522 | D503-N518 PolarHBondContact O-ND2 3.08Å; N518-Q520 VanDerWaalsContact C-N 3.34Å; N518-Q520 PolarHBondContact O-N 2.98Å; N518-A521 WeakPolarHBondContact O-CB 3.48Å; N518-A521 PolarHBondContact O-N 3.05Å; N518-L522 PolarHBondContact O-N 2.78Å | ||
| 519 | H | 89.6 | Confident | 88.1 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 15% | 0.153 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -44 | -53.1 | 179.4 | 176.5 | 81.8 | 0 | 0 | 0 | 113.6 | I505 A521 L522 M523 Y529 | I505-H519 HydrophobicContact CD1-CB 3.88Å; H519-A521 PolarHBondContact O-N 3.38Å; H519-L522 PolarHBondContact O-N 2.99Å; H519-M523 WeakPolarHBondContact O-CG 3.39Å; H519-M523 PolarHBondContact O-N 3.08Å; H519-Y529 AromaticContact ND1-CE1 3.58Å; H519-Y529 AromaticContact ND1-CZ 3.68Å; H519-Y529 PolarHBondContact ND1-OH 3Å |
| 520 | Q | 89.2 | Confident | 88 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.6 | -24.8 | -177.9 | -62.7 | -173.8 | 7.4 | 0 | 0 | 114.2 | N518 K524 | N518-Q520 VanDerWaalsContact C-N 3.34Å; N518-Q520 PolarHBondContact O-N 2.98Å; Q520-K524 VanDerWaalsContact O-CD 3.28Å; Q520-K524 WeakPolarHBondContact O-CD 3.21Å; Q520-K524 WeakPolarHBondContact O-CG 3.49Å; Q520-K524 PolarHBondContact O-N 3.16Å |
| 521 | A | 89.6 | Confident | 87.9 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -79.7 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N518 H519 K524 A525 | N518-A521 WeakPolarHBondContact O-CB 3.48Å; N518-A521 PolarHBondContact O-N 3.05Å; H519-A521 PolarHBondContact O-N 3.38Å; A521-K524 PolarHBondContact O-N 3.16Å; A521-A525 PolarHBondContact O-N 3.41Å |
| 522 | L | 89.1 | Confident | 87.7 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 178.9 | -62.6 | -177.1 | 0 | 0 | 0 | 112.4 | I505 E515 N518 H519 K524 A525 N526 Y529 | I505-L522 HydrophobicContact CB-CD1 3.94Å; I505-L522 HydrophobicContact CG2-CD1 4.22Å; E515-L522 HydrophobicContact CB-CD2 4Å; E515-L522 HydrophobicContact CG-CD2 4.44Å; N518-L522 PolarHBondContact O-N 2.78Å; H519-L522 PolarHBondContact O-N 2.99Å; L522-K524 VanDerWaalsContact C-N 3.35Å; L522-K524 PolarHBondContact O-N 3Å; L522-A525 PolarHBondContact O-N 2.97Å; L522-N526 PolarHBondContact O-N 3.15Å; L522-Y529 HydrophobicContact CB-CD1 3.35Å; L522-Y529 HydrophobicContact CB-CE1 4Å; L522-Y529 HydrophobicContact CB-CG 3.85Å; L522-Y529 HydrophobicContact CD1-CD1 4Å; L522-Y529 HydrophobicContact CD1-CD2 4.13Å; L522-Y529 HydrophobicContact CD1-CE1 4.42Å; L522-Y529 HydrophobicContact CD1-CG 3.82Å; L522-Y529 HydrophobicContact CG-CD1 4.33Å; L522-Y529 HydrophobicContact CG-CG 4.48Å |
| 523 | M | 87.3 | Confident | 87.4 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 28% | 0.276 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 173.1 | -66.3 | -58 | -73.9 | 0 | 0 | 111.9 | H519 A525 N526 Y529 A530 I533 | H519-M523 WeakPolarHBondContact O-CG 3.39Å; H519-M523 PolarHBondContact O-N 3.08Å; M523-A525 VanDerWaalsContact C-N 3.33Å; M523-A525 PolarHBondContact O-N 3.03Å; M523-N526 PolarHBondContact O-N 3.39Å; M523-Y529 HydrophobicContact CG-CE1 4.17Å; M523-Y529 HydrophobicContact SD-CD1 4Å; M523-Y529 HydrophobicContact SD-CE1 3.89Å; M523-A530 HydrophobicContact SD-CB 4.24Å; M523-I533 HydrophobicContact CE-CB 4.24Å; M523-I533 HydrophobicContact CE-CG2 3.74Å; M523-I533 HydrophobicContact SD-CB 4.07Å; M523-I533 HydrophobicContact SD-CD1 4.21Å; M523-I533 HydrophobicContact SD-CG2 4.08Å |
| 524 | K | 87.3 | Confident | 86.7 | Confident | 170 Ų | 170 | 59.3 Ų | 59.3 | 74% | 0.739 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.7 | -27.3 | 175.6 | -74.3 | 171.8 | -172 | 167.7 | 0 | 113.6 | Q520 A521 L522 N526 | Q520-K524 VanDerWaalsContact O-CD 3.28Å; Q520-K524 WeakPolarHBondContact O-CD 3.21Å; Q520-K524 WeakPolarHBondContact O-CG 3.49Å; Q520-K524 PolarHBondContact O-N 3.16Å; A521-K524 PolarHBondContact O-N 3.16Å; L522-K524 VanDerWaalsContact C-N 3.35Å; L522-K524 PolarHBondContact O-N 3Å; K524-N526 PolarHBondContact O-N 2.89Å |
| 525 | A | 85.3 | Confident | 86 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -73.1 | -15.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A521 L522 M523 G527 | A521-A525 PolarHBondContact O-N 3.41Å; L522-A525 PolarHBondContact O-N 2.97Å; M523-A525 VanDerWaalsContact C-N 3.33Å; M523-A525 PolarHBondContact O-N 3.03Å; A525-G527 PolarHBondContact O-N 3.4Å |
| 526 | N | 83.7 | Confident | 85.1 | Confident | 121 Ų | 121 | 59 Ų | 59 | 65% | 0.647 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 36.9 | -175.5 | -158.7 | 23.2 | 0 | 0 | 0 | 113.8 | L522 M523 K524 | L522-N526 PolarHBondContact O-N 3.15Å; M523-N526 PolarHBondContact O-N 3.39Å; K524-N526 PolarHBondContact O-N 2.89Å |
| 527 | G | 86.9 | Confident | 84 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -82.9 | -162 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A525 Y529 A530 Q531 | A525-G527 PolarHBondContact O-N 3.4Å; G527-Y529 PolarHBondContact O-N 3.19Å; G527-A530 WeakPolarHBondContact O-CB 3.28Å; G527-A530 PolarHBondContact O-N 3.29Å; G527-A530 VanDerWaalsContact O-N 3.1Å; G527-Q531 PolarHBondContact O-N 3.38Å |
| 528 | R | 83.3 | Confident | 82.3 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -31.5 | 177.3 | -167.3 | 58.2 | 171.5 | 142.6 | 7 | 112.3 | E509 E515 Q531 L532 | E509-R528 IonicContact OE1-NE 2.79Å; E509-R528 PolarHBondContact OE1-NE 2.89Å; E515-R528 VanDerWaalsContact CD-N 3.33Å; E515-R528 WeakPolarHBondContact OE1-CB 3.47Å; E515-R528 PolarHBondContact OE1-N 3.24Å; E515-R528 PolarHBondContact OE2-N 2.61Å; E515-R528 VanDerWaalsContact OE2-N 3.16Å; R528-Q531 VanDerWaalsContact CD-OE1 3.27Å; R528-L532 WeakPolarHBondContact O-CG 3.49Å; R528-L532 PolarHBondContact O-N 3.25Å; R528-L532 VanDerWaalsContact O-N 3.12Å |
| 529 | Y | 86.6 | Confident | 80.5 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -48 | 170.5 | -178.2 | -101.8 | 0 | 0 | 0 | 111.9 | L499 I505 V507 E515 H519 L522 M523 G527 Q531 L532 I533 | L499-Y529 HydrophobicContact CD1-CE2 4.17Å; I505-Y529 HydrophobicContact CD1-CE1 4.34Å; I505-Y529 HydrophobicContact CD1-CE2 3.93Å; I505-Y529 WeakPolarHBondContact CD1-OH 3.4Å; I505-Y529 HydrophobicContact CG2-CD2 4.23Å; I505-Y529 HydrophobicContact CG2-CE2 3.83Å; V507-Y529 HydrophobicContact CG2-CD2 4.16Å; E515-Y529 WeakPolarHBondContact OE2-CB 3.5Å; E515-Y529 PolarHBondContact OE2-N 2.94Å; H519-Y529 AromaticContact ND1-CE1 3.58Å; H519-Y529 AromaticContact ND1-CZ 3.68Å; H519-Y529 PolarHBondContact ND1-OH 3Å; L522-Y529 HydrophobicContact CB-CD1 3.35Å; L522-Y529 HydrophobicContact CB-CE1 4Å; L522-Y529 HydrophobicContact CB-CG 3.85Å; L522-Y529 HydrophobicContact CD1-CD1 4Å; L522-Y529 HydrophobicContact CD1-CD2 4.13Å; L522-Y529 HydrophobicContact CD1-CE1 4.42Å; L522-Y529 HydrophobicContact CD1-CG 3.82Å; L522-Y529 HydrophobicContact CG-CD1 4.33Å; L522-Y529 HydrophobicContact CG-CG 4.48Å; M523-Y529 HydrophobicContact CG-CE1 4.17Å; M523-Y529 HydrophobicContact SD-CD1 4Å; M523-Y529 HydrophobicContact SD-CE1 3.89Å; G527-Y529 PolarHBondContact O-N 3.19Å; Y529-Q531 VanDerWaalsContact C-N 3.31Å; Y529-Q531 PolarHBondContact O-N 2.66Å; Y529-L532 PolarHBondContact O-N 3.45Å; Y529-I533 HydrophobicContact CD1-CD1 4.42Å; Y529-I533 HydrophobicContact CE1-CD1 3.6Å; Y529-I533 HydrophobicContact CE1-CG1 4.46Å; Y529-I533 HydrophobicContact CE2-CD1 4.07Å; Y529-I533 PolarHBondContact O-N 2.93Å; Y529-I533 VanDerWaalsContact O-N 3.1Å; Y529-I533 VanDerWaalsContact OH-CD1 3.25Å; Y529-I533 WeakPolarHBondContact OH-CD1 3.41Å |
| 530 | A | 85 | Confident | 78.6 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | M523 G527 I533 S534 | M523-A530 HydrophobicContact SD-CB 4.24Å; G527-A530 WeakPolarHBondContact O-CB 3.28Å; G527-A530 PolarHBondContact O-N 3.29Å; G527-A530 VanDerWaalsContact O-N 3.1Å; A530-I533 PolarHBondContact O-N 2.84Å; A530-S534 VanDerWaalsContact O-CB 3.27Å; A530-S534 WeakPolarHBondContact O-CB 3.45Å; A530-S534 PolarHBondContact O-N 2.7Å; A530-S534 PolarHBondContact O-OG 2.73Å |
| 531 | Q | 83.7 | Confident | 76.2 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 172.4 | -69.4 | 174.8 | 3.6 | 0 | 0 | 113.1 | G527 R528 Y529 I533 S534 N535 | G527-Q531 PolarHBondContact O-N 3.38Å; R528-Q531 VanDerWaalsContact CD-OE1 3.27Å; Y529-Q531 VanDerWaalsContact C-N 3.31Å; Y529-Q531 PolarHBondContact O-N 2.66Å; Q531-I533 VanDerWaalsContact C-N 3.31Å; Q531-I533 PolarHBondContact O-N 2.75Å; Q531-S534 WeakPolarHBondContact CA-OG 3.43Å; Q531-S534 PolarHBondContact O-N 3.49Å; Q531-S534 PolarHBondContact O-OG 2.96Å; Q531-N535 WeakPolarHBondContact O-CB 3.41Å; Q531-N535 PolarHBondContact O-N 3.31Å; Q531-N535 PolarHBondContact O-OD1 3.09Å; Q531-N535 VanDerWaalsContact O-OD1 3.06Å |
| 532 | L | 81.2 | Confident | 73.8 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 18% | 0.183 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -36.5 | 179.2 | -72.9 | 168.5 | 0 | 0 | 0 | 111.7 | L496 R528 Y529 Y536 | L496-L532 HydrophobicContact CD1-CB 4.19Å; L496-L532 WeakPolarHBondContact CD1-O 3.49Å; R528-L532 WeakPolarHBondContact O-CG 3.49Å; R528-L532 PolarHBondContact O-N 3.25Å; R528-L532 VanDerWaalsContact O-N 3.12Å; Y529-L532 PolarHBondContact O-N 3.45Å; L532-Y536 WeakPolarHBondContact O-CB 3.25Å; L532-Y536 PolarHBondContact O-N 3.08Å |
| 533 | I | 82.6 | Confident | 71.4 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -79.2 | -38.2 | 175 | -69 | -169 | 0 | 0 | 0 | 112.2 | M523 Y529 A530 Q531 N535 Y536 Q537 | M523-I533 HydrophobicContact CE-CB 4.24Å; M523-I533 HydrophobicContact CE-CG2 3.74Å; M523-I533 HydrophobicContact SD-CB 4.07Å; M523-I533 HydrophobicContact SD-CD1 4.21Å; M523-I533 HydrophobicContact SD-CG2 4.08Å; Y529-I533 HydrophobicContact CD1-CD1 4.42Å; Y529-I533 HydrophobicContact CE1-CD1 3.6Å; Y529-I533 HydrophobicContact CE1-CG1 4.46Å; Y529-I533 HydrophobicContact CE2-CD1 4.07Å; Y529-I533 PolarHBondContact O-N 2.93Å; Y529-I533 VanDerWaalsContact O-N 3.1Å; Y529-I533 VanDerWaalsContact OH-CD1 3.25Å; Y529-I533 WeakPolarHBondContact OH-CD1 3.41Å; A530-I533 PolarHBondContact O-N 2.84Å; Q531-I533 VanDerWaalsContact C-N 3.31Å; Q531-I533 PolarHBondContact O-N 2.75Å; I533-N535 VanDerWaalsContact C-N 3.35Å; I533-N535 PolarHBondContact O-N 3.34Å; I533-Y536 PolarHBondContact O-N 3.14Å; I533-Q537 HydrophobicContact CG2-CG 4.17Å; I533-Q537 WeakPolarHBondContact O-CB 3.41Å; I533-Q537 WeakPolarHBondContact O-CG 3.28Å; I533-Q537 PolarHBondContact O-N 3.43Å |
| 534 | S | 78.5 | Confident | 68.9 | Low | 36 Ų | 36 | 68.6 Ų | 68.6 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 178.5 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | A530 Q531 Q537 M538 | A530-S534 VanDerWaalsContact O-CB 3.27Å; A530-S534 WeakPolarHBondContact O-CB 3.45Å; A530-S534 PolarHBondContact O-N 2.7Å; A530-S534 PolarHBondContact O-OG 2.73Å; Q531-S534 WeakPolarHBondContact CA-OG 3.43Å; Q531-S534 PolarHBondContact O-N 3.49Å; Q531-S534 PolarHBondContact O-OG 2.96Å; S534-Q537 CarbonylContact O-C 3.35Å; S534-Q537 PolarHBondContact O-N 3Å; S534-M538 WeakPolarHBondContact O-CB 3.46Å; S534-M538 VanDerWaalsContact O-CG 3.24Å; S534-M538 WeakPolarHBondContact O-CG 3.11Å; S534-M538 PolarHBondContact O-N 3.21Å |
| 535 | N | 75.3 | Confident | 66.2 | Low | 91 Ų | 91 | 66.7 Ų | 66.7 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 174.5 | -72.2 | 24.6 | 0 | 0 | 0 | 110.7 | Q531 I533 Q537 M538 E539 | Q531-N535 WeakPolarHBondContact O-CB 3.41Å; Q531-N535 PolarHBondContact O-N 3.31Å; Q531-N535 PolarHBondContact O-OD1 3.09Å; Q531-N535 VanDerWaalsContact O-OD1 3.06Å; I533-N535 VanDerWaalsContact C-N 3.35Å; I533-N535 PolarHBondContact O-N 3.34Å; N535-Q537 VanDerWaalsContact C-N 3.31Å; N535-Q537 PolarHBondContact O-N 3.36Å; N535-M538 PolarHBondContact O-N 3.02Å; N535-E539 WeakPolarHBondContact O-CG 3.47Å; N535-E539 PolarHBondContact O-N 3.27Å |
| 536 | Y | 70.1 | Confident | 63.8 | Low | 65 Ų | 65 | 69.6 Ų | 69.6 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 174.4 | 178.9 | -106.5 | 0 | 0 | 0 | 112.6 | L532 I533 Q540 | L532-Y536 WeakPolarHBondContact O-CB 3.25Å; L532-Y536 PolarHBondContact O-N 3.08Å; I533-Y536 PolarHBondContact O-N 3.14Å; Y536-Q540 VanDerWaalsContact CZ-NE2 3.33Å; Y536-Q540 VanDerWaalsContact O-CG 3.3Å; Y536-Q540 WeakPolarHBondContact O-CG 3.32Å; Y536-Q540 PolarHBondContact O-N 3.22Å; Y536-Q540 PolarHBondContact OH-NE2 2.85Å |
| 537 | Q | 68.3 | Low | 61.6 | Low | 95 Ų | 95 | 68.5 Ų | 68.5 | 44% | 0.444 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.2 | -25.8 | 174.7 | -73.6 | 176.4 | -24.9 | 0 | 0 | 113.2 | I533 S534 N535 Q540 S541 | I533-Q537 HydrophobicContact CG2-CG 4.17Å; I533-Q537 WeakPolarHBondContact O-CB 3.41Å; I533-Q537 WeakPolarHBondContact O-CG 3.28Å; I533-Q537 PolarHBondContact O-N 3.43Å; S534-Q537 CarbonylContact O-C 3.35Å; S534-Q537 PolarHBondContact O-N 3Å; N535-Q537 VanDerWaalsContact C-N 3.31Å; N535-Q537 PolarHBondContact O-N 3.36Å; Q537-Q540 PolarHBondContact O-N 2.9Å; Q537-S541 VanDerWaalsContact O-CB 3.29Å; Q537-S541 WeakPolarHBondContact O-CB 3.26Å; Q537-S541 PolarHBondContact O-N 2.98Å; Q537-S541 PolarHBondContact O-OG 2.96Å |
| 538 | M | 54.6 | Low | 59 | Low | 104 Ų | 104 | 74.6 Ų | 74.6 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.8 | -45.3 | 171 | -77.1 | 172.8 | 175.6 | 0 | 0 | 110.5 | S534 N535 Q540 S541 E542 | S534-M538 WeakPolarHBondContact O-CB 3.46Å; S534-M538 VanDerWaalsContact O-CG 3.24Å; S534-M538 WeakPolarHBondContact O-CG 3.11Å; S534-M538 PolarHBondContact O-N 3.21Å; N535-M538 PolarHBondContact O-N 3.02Å; M538-Q540 PolarHBondContact O-N 3.1Å; M538-S541 PolarHBondContact O-N 3.32Å; M538-E542 WeakPolarHBondContact O-CB 3.19Å; M538-E542 WeakPolarHBondContact O-CG 3.47Å; M538-E542 PolarHBondContact O-N 3.37Å |
| 539 | E | 54.3 | Low | 56.5 | Low | 104 Ų | 104 | 79.1 Ų | 79.1 | 49% | 0.486 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.6 | -24.6 | 169.5 | -72.3 | 177.7 | 170.7 | 0 | 0 | 112.4 | N535 S1145 | N535-E539 WeakPolarHBondContact O-CG 3.47Å; N535-E539 PolarHBondContact O-N 3.27Å; E539-S1145 VanDerWaalsContact OE1-CB 3.29Å; E539-S1145 WeakPolarHBondContact OE1-CB 3.43Å; E539-S1145 PolarHBondContact OE1-OG 2.96Å |
| 540 | Q | 49.7 | Very low | 54.2 | Low | 40 Ų | 40 | 86.9 Ų | 86.9 | 19% | 0.187 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -89.2 | -35.7 | 173 | -74 | 173.1 | -17.9 | 0 | 0 | 114.6 | Y536 Q537 M538 N1216 | Y536-Q540 VanDerWaalsContact CZ-NE2 3.33Å; Y536-Q540 VanDerWaalsContact O-CG 3.3Å; Y536-Q540 WeakPolarHBondContact O-CG 3.32Å; Y536-Q540 PolarHBondContact O-N 3.22Å; Y536-Q540 PolarHBondContact OH-NE2 2.85Å; Q537-Q540 PolarHBondContact O-N 2.9Å; M538-Q540 PolarHBondContact O-N 3.1Å; Q540-N1216 PolarHBondContact NE2-OD1 2.99Å; Q540-N1216 VanDerWaalsContact NE2-OD1 3.14Å |
| 541 | S | 37.7 | Very low | 51.8 | Low | 37 Ų | 37 | 88.7 Ų | 88.7 | 26% | 0.259 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -97.2 | -19.6 | -172.1 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | Q537 M538 A543 Q544 K545 | Q537-S541 VanDerWaalsContact O-CB 3.29Å; Q537-S541 WeakPolarHBondContact O-CB 3.26Å; Q537-S541 PolarHBondContact O-N 2.98Å; Q537-S541 PolarHBondContact O-OG 2.96Å; M538-S541 PolarHBondContact O-N 3.32Å; S541-A543 VanDerWaalsContact C-N 3.26Å; S541-Q544 PolarHBondContact O-N 3.18Å; S541-Q544 VanDerWaalsContact O-N 3.16Å; S541-K545 WeakPolarHBondContact O-CG 3.44Å; S541-K545 PolarHBondContact O-N 2.9Å |
| 542 | E | 38.5 | Very low | 49.2 | Very low | 132 Ų | 132 | 92.7 Ų | 92.7 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.1 | -41.1 | 161.8 | -69.1 | -179.2 | 160.2 | 0 | 0 | 109.5 | M538 Q544 K545 E546 | M538-E542 WeakPolarHBondContact O-CB 3.19Å; M538-E542 WeakPolarHBondContact O-CG 3.47Å; M538-E542 PolarHBondContact O-N 3.37Å; E542-Q544 PolarHBondContact O-N 3.03Å; E542-Q544 VanDerWaalsContact O-N 3.1Å; E542-K545 PolarHBondContact O-N 3.15Å; E542-E546 PolarHBondContact O-N 2.92Å |
| 543 | A | 40.4 | Very low | 46.9 | Very low | 41 Ų | 41 | 97.9 Ų | 97.9 | 34% | 0.339 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.9 | 1.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S541 | S541-A543 VanDerWaalsContact C-N 3.26Å |
| 544 | Q | 34.2 | Very low | 44.6 | Very low | 107 Ų | 107 | 103.2 Ų | 103.2 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -115.1 | -29.8 | 171.9 | -70.4 | -177.6 | -57.1 | 0 | 0 | 112.6 | S541 E542 E546 E547 E548 | S541-Q544 PolarHBondContact O-N 3.18Å; S541-Q544 VanDerWaalsContact O-N 3.16Å; E542-Q544 PolarHBondContact O-N 3.03Å; E542-Q544 VanDerWaalsContact O-N 3.1Å; Q544-E546 VanDerWaalsContact C-N 3.35Å; Q544-E547 WeakPolarHBondContact O-CA 3.43Å; Q544-E547 WeakPolarHBondContact O-CB 3.37Å; Q544-E547 PolarHBondContact O-N 3.36Å; Q544-E548 PolarHBondContact O-N 2.81Å |
| 545 | K | 30.7 | Very low | 42.4 | Very low | 129 Ų | 129 | 107.2 Ų | 107.2 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.2 | -32.6 | 177.5 | -76.1 | 173.8 | 178.4 | 176.9 | 0 | 113.1 | S541 E542 E547 E548 E549 | S541-K545 WeakPolarHBondContact O-CG 3.44Å; S541-K545 PolarHBondContact O-N 2.9Å; E542-K545 PolarHBondContact O-N 3.15Å; K545-E547 PolarHBondContact O-N 3.34Å; K545-E548 PolarHBondContact O-N 2.96Å; K545-E548 VanDerWaalsContact O-N 3.09Å; K545-E549 PolarHBondContact O-N 2.92Å |
| 546 | E | 35 | Very low | 40.1 | Very low | 132 Ų | 132 | 107.4 Ų | 107.4 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.8 | -23.2 | 167.3 | -66.3 | -174.5 | 155.3 | 0 | 0 | 112 | E542 Q544 | E542-E546 PolarHBondContact O-N 2.92Å; Q544-E546 VanDerWaalsContact C-N 3.35Å |
| 547 | E | 37.5 | Very low | 38.3 | Very low | 98 Ų | 98 | 112.1 Ų | 112.1 | 46% | 0.458 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -89.8 | -12.8 | 174.8 | -52.2 | -165.8 | 127.5 | 0 | 0 | 113.8 | Q544 K545 K1198 | Q544-E547 WeakPolarHBondContact O-CA 3.43Å; Q544-E547 WeakPolarHBondContact O-CB 3.37Å; Q544-E547 PolarHBondContact O-N 3.36Å; K545-E547 PolarHBondContact O-N 3.34Å; E547-K1198 IonicContact OE1-NZ 3.22Å; E547-K1198 PolarHBondContact OE1-NZ 3.42Å |
| 548 | E | 31 | Very low | 36.4 | Very low | 144 Ų | 144 | 114.2 Ų | 114.2 | 67% | 0.673 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -93.6 | -36.8 | 177.4 | -72.4 | -170.7 | 146.2 | 0 | 0 | 112.7 | Q544 K545 E550 G551 | Q544-E548 PolarHBondContact O-N 2.81Å; K545-E548 PolarHBondContact O-N 2.96Å; K545-E548 VanDerWaalsContact O-N 3.09Å; E548-E550 VanDerWaalsContact C-N 3.31Å; E548-E550 PolarHBondContact O-N 3.09Å; E548-G551 PolarHBondContact O-N 3.31Å |
| 549 | E | 32.1 | Very low | 35 | Very low | 170 Ų | 170 | 119.1 Ų | 119.1 | 79% | 0.794 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.7 | -27.2 | 178.9 | -69.7 | -169.2 | 170 | 0 | 0 | 113 | K545 G551 | K545-E549 PolarHBondContact O-N 2.92Å; E549-G551 PolarHBondContact O-N 3.17Å |
| 550 | E | 37.7 | Very low | 33.6 | Very low | 165 Ų | 165 | 118.8 Ų | 118.8 | 77% | 0.771 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -11.9 | 170.5 | -64.8 | -168 | 151.2 | 0 | 0 | 113.3 | E548 | E548-E550 VanDerWaalsContact C-N 3.31Å; E548-E550 PolarHBondContact O-N 3.09Å |
| 551 | G | 35.1 | Very low | 32.6 | Very low | 42 Ų | 42 | 121.6 Ų | 121.6 | 43% | 0.433 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | -26.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.7 | E548 E549 | E548-G551 PolarHBondContact O-N 3.31Å; E549-G551 PolarHBondContact O-N 3.17Å |
| 552 | E | 28.5 | Very low | 31.9 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -80.7 | -27.6 | -172.6 | -64.2 | -155.5 | 132.7 | 0 | 0 | 113.9 | E554 V555 | E552-E554 VanDerWaalsContact C-N 3.34Å; E552-E554 PolarHBondContact O-N 3.14Å; E552-V555 PolarHBondContact O-N 3.01Å |
| 553 | D | 33 | Very low | 31.5 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 77% | 0.765 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -68.1 | -28.4 | -178.3 | -97.1 | -17.2 | 0 | 0 | 0 | 113.5 | V555 S556 | D553-V555 VanDerWaalsContact C-N 3.29Å; D553-V555 PolarHBondContact O-N 3.48Å; D553-S556 PolarHBondContact O-OG 3.3Å; D553-S556 VanDerWaalsContact O-OG 3.09Å |
| 554 | E | 35.5 | Very low | 30.7 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 58% | 0.579 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -70.6 | -18.7 | -179.3 | -99.7 | -130.7 | 134.6 | 0 | 0 | 114.2 | E552 S556 H557 K558 | E552-E554 VanDerWaalsContact C-N 3.34Å; E552-E554 PolarHBondContact O-N 3.14Å; E554-S556 PolarHBondContact O-N 2.81Å; E554-S556 VanDerWaalsContact O-N 3.14Å; E554-H557 PolarHBondContact O-N 3.32Å; E554-K558 IonicContact OE1-NZ 2.77Å; E554-K558 PolarHBondContact OE1-NZ 3.36Å; E554-K558 IonicContact OE2-NZ 2.8Å; E554-K558 PolarHBondContact OE2-NZ 3.31Å |
| 555 | V | 30.5 | Very low | 30.3 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -64.6 | -22.7 | -173.2 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | E552 D553 H557 | E552-V555 PolarHBondContact O-N 3.01Å; D553-V555 VanDerWaalsContact C-N 3.29Å; D553-V555 PolarHBondContact O-N 3.48Å; V555-H557 VanDerWaalsContact C-N 3.27Å; V555-H557 PolarHBondContact O-N 3.13Å |
| 556 | S | 27.6 | Very low | 29.9 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -66.5 | -15.6 | -178.3 | 61.4 | 0 | 0 | 0 | 0 | 115.8 | D553 E554 | D553-S556 PolarHBondContact O-OG 3.3Å; D553-S556 VanDerWaalsContact O-OG 3.09Å; E554-S556 PolarHBondContact O-N 2.81Å; E554-S556 VanDerWaalsContact O-N 3.14Å |
| 557 | H | 31.8 | Very low | 29.4 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -126.2 | 15 | -157.6 | -102.6 | -55.7 | 0 | 0 | 0 | 118.2 | E554 V555 | E554-H557 PolarHBondContact O-N 3.32Å; V555-H557 VanDerWaalsContact C-N 3.27Å; V555-H557 PolarHBondContact O-N 3.13Å |
| 558 | K | 28.4 | Very low | 28.8 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 60% | 0.604 | 75% | 0.747 | S | S | * | * | trans | -120.9 | 12.2 | -174.2 | -71.2 | 171.6 | -171.9 | 167 | 0 | 117.6 | E554 A560 | E554-K558 IonicContact OE1-NZ 2.77Å; E554-K558 PolarHBondContact OE1-NZ 3.36Å; E554-K558 IonicContact OE2-NZ 2.8Å; E554-K558 PolarHBondContact OE2-NZ 3.31Å; K558-A560 VanDerWaalsContact C-N 3.28Å; K558-A560 PolarHBondContact O-N 3.47Å; K558-A560 VanDerWaalsContact O-N 3.15Å | ||
| 559 | E | 25.4 | Very low | 28.5 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 97% | 0.972 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -83.3 | 47.7 | 168.2 | -68.5 | -157.7 | 132.4 | 0 | 0 | 114.1 | ||
| 560 | A | 25.4 | Very low | 28.1 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | -151.3 | 35.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | K558 | K558-A560 VanDerWaalsContact C-N 3.28Å; K558-A560 PolarHBondContact O-N 3.47Å; K558-A560 VanDerWaalsContact O-N 3.15Å | ||
| 561 | A | 28.1 | Very low | 27.6 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -132.2 | 46.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V563 | A561-V563 PolarHBondContact O-N 2.82Š| ||
| 562 | E | 24.2 | Very low | 27 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -59.1 | 120.1 | 178.8 | -176.9 | 73.7 | -142.8 | 0 | 0 | 113.3 | ||||
| 563 | V | 29.1 | Very low | 27 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | trans | 40 | 114.2 | 152.1 | 179.1 | 0 | 0 | 0 | 0 | 119.2 | A561 | A561-V563 PolarHBondContact O-N 2.82Š| ||
| 564 | R | 24.8 | Very low | 27.1 | Very low | 233 Ų | 233 | 144.2 Ų | 144.2 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | -160.8 | 134.2 | 129.8 | -112.7 | 154.4 | -174.9 | -178.4 | 2.8 | 115.8 | |||||
| 565 | R | 24.4 | Very low | 26.5 | Very low | 234 Ų | 234 | 141.7 Ų | 141.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 79.2 | 93.3 | 162.3 | -57.9 | -176.5 | -174 | 173.4 | 3.5 | 119.9 | ||||
| 566 | R | 24 | Very low | 26.1 | Very low | 238 Ų | 238 | 144.7 Ų | 144.7 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | -66.1 | 168.3 | 126 | -52.4 | 169.5 | 173.4 | 163 | -4.4 | 108.7 | |||||
| 567 | T | 24.4 | Very low | 25.9 | Very low | 115 Ų | 115 | 149 Ų | 149 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | cis | -125.7 | 179.4 | 3.2 | 47.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 568 | D | 23.9 | Very low | 25.4 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | cis | -151.6 | 142.3 | 32.9 | -100 | -71.5 | 0 | 0 | 0 | 109.8 | ||||
| 569 | S | 24.9 | Very low | 25.2 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 56 | 126.9 | 85.8 | 93.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 570 | G | 23.8 | Very low | 25 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | cis | 176.5 | -165.4 | -6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 571 | I | 27.1 | Very low | 24.9 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 84 | 86.6 | 162.3 | -47.4 | 179.6 | 0 | 0 | 0 | 119.6 | ||||
| 572 | V | 23.4 | Very low | 24.5 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | 56.7 | 117.8 | 113 | 177.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 573 | N | 27.8 | Very low | 24.3 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -62.9 | 154.4 | 156.3 | -115.6 | -39.7 | 0 | 0 | 0 | 111.7 | ||||
| 574 | P | 34.2 | Very low | 24 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | -161.2 | 172.5 | 59 | 43 | -21.6 | 0 | 0 | 0 | 119.6 | |||||
| 575 | G | 23.5 | Very low | 23.7 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | 101.7 | 122 | 116 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 576 | M | 23.1 | Very low | 23.5 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | trans | 86.4 | 165.3 | 136.4 | -104.3 | 178 | 66.6 | 0 | 0 | 123.9 | ||||
| 577 | K | 21.6 | Very low | 23.4 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -91.6 | 164.6 | -162.5 | -50.7 | 161.6 | -179.4 | 170.7 | 0 | 112.8 | ||||
| 578 | T | 22.8 | Very low | 23.3 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | 172.3 | 175.8 | 112.7 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 579 | Q | 23.3 | Very low | 23.2 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -103.3 | 176.3 | -152.9 | -45.1 | 147.1 | -83.9 | 0 | 0 | 115.8 | ||||
| 580 | L | 21.8 | Very low | 23 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | trans | 88.1 | 110.3 | 139.8 | -80.2 | 162 | 0 | 0 | 0 | 123.2 | ||||
| 581 | L | 21.9 | Very low | 23 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | 86.1 | 131 | 125.2 | -105.9 | -175.4 | 0 | 0 | 0 | 124.6 | |||||
| 582 | T | 21.3 | Very low | 22.7 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | 75.8 | 113.7 | 148.1 | 7.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 583 | C | 20.3 | Very low | 22.6 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | 167.2 | 166.1 | 114.3 | -93.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 584 | Q | 20.9 | Very low | 22.3 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -164.9 | 161.9 | -54.1 | -142.1 | -170.2 | 29.6 | 0 | 0 | 109.2 | |||||
| 585 | M | 20.3 | Very low | 21.6 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | trans | 76.9 | 126 | 153.1 | -76.2 | -156.1 | 175.1 | 0 | 0 | 124.6 | ||||
| 586 | K | 19.6 | Very low | 21.5 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | trans | 76.2 | 150.8 | 132.4 | -71.2 | 177.4 | 174.8 | 168.3 | 0 | 121.4 | ||||
| 587 | L | 22.4 | Very low | 21.5 | Very low | 148 Ų | 148 | 150.1 Ų | 150.1 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | cis | -172.7 | 162.3 | -38.1 | -125.9 | 177.9 | 0 | 0 | 0 | 111.1 | ||||
| 588 | M | 20.9 | Very low | 21.4 | Very low | 154 Ų | 154 | 146 Ų | 146 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 93.8 | 125.9 | 150.1 | -79 | -150.7 | -64.6 | 0 | 0 | 123.7 | ||||
| 589 | M | 21.8 | Very low | 21.3 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 82.7 | 106.3 | 133.4 | -67.9 | -81.6 | -95.5 | 0 | 0 | 121.9 | ||||
| 590 | G | 22 | Very low | 21.2 | Very low | 81 Ų | 81 | 149.8 Ų | 149.8 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | -162 | 132.2 | 156 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 591 | R | 22 | Very low | 21.3 | Very low | 225 Ų | 225 | 151.1 Ų | 151.1 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | trans | -154.3 | 124.5 | -159.6 | -179 | -168.4 | -170.2 | -169.4 | 7.3 | 114.9 | ||||
| 592 | Q | 22.3 | Very low | 21.2 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -175.8 | 126.8 | 144.8 | -103.3 | 163.2 | 76.4 | 0 | 0 | 110.5 | ||||
| 593 | R | 21.8 | Very low | 21.3 | Very low | 219 Ų | 219 | 149.4 Ų | 149.4 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | 64.6 | 129.8 | 96.1 | -77.4 | -169.8 | 169.9 | 167 | -5.8 | 113.9 | |||||
| 594 | T | 20.3 | Very low | 21.4 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | cis | -159.8 | -170.6 | -1.9 | -0.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 595 | R | 20.6 | Very low | 21.4 | Very low | 226 Ų | 226 | 148.9 Ų | 148.9 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | cis | -155.3 | -172.3 | 16.3 | -143.8 | -178.6 | 176 | 151.7 | 0.1 | 111.9 | ||||
| 596 | S | 20.4 | Very low | 21.5 | Very low | 84 Ų | 84 | 150.4 Ų | 150.4 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | trans | -70.6 | 171.4 | 170.7 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 597 | V | 22.5 | Very low | 21.7 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | cis | -150.5 | 146 | 32.7 | 174 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 598 | S | 20.3 | Very low | 21.6 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | cis | 104.7 | 79.1 | 2.7 | 85.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 599 | K | 21.7 | Very low | 22.3 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | -155.4 | 132.7 | 154.5 | -99.5 | 169.9 | -177.7 | 179.9 | 0 | 108.5 | ||||
| 600 | Q | 21.1 | Very low | 22.4 | Very low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | cis | 71.6 | 139.3 | 37.6 | -72.5 | -170.5 | -12.8 | 0 | 0 | 114.2 | ||||
| 601 | K | 22 | Very low | 22.5 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | cis | -158.6 | 143.9 | 19.6 | -128.9 | 177.4 | -179.3 | -170.9 | 0 | 109.8 | ||||
| 602 | S | 20.4 | Very low | 22.5 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | 69.4 | 159.5 | 105.8 | 80.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 603 | V | 23.5 | Very low | 22.6 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | cis | -164.1 | 156.9 | 7.9 | 91.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 604 | D | 22.2 | Very low | 22.6 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | 52.1 | 167.4 | 158 | -49.9 | -25.8 | 0 | 0 | 0 | 121 | ||||
| 605 | S | 21.9 | Very low | 22.7 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -147.4 | 179 | 12 | 66 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 606 | D | 22.5 | Very low | 22.7 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -73.1 | 152 | -171 | -46.1 | -96.2 | 0 | 0 | 0 | 117.8 | ||||
| 607 | A | 24 | Very low | 22.8 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -177.6 | 144 | 134 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 608 | D | 20.5 | Very low | 22.7 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -143.3 | 160.1 | 166 | -144.9 | 22.5 | 0 | 0 | 0 | 105.3 | ||||
| 609 | P | 34.8 | Very low | 22.8 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | cis | -141.7 | -174.5 | 24.9 | 33.7 | -8.6 | 0 | 0 | 0 | 117.7 | ||||
| 610 | T | 22.7 | Very low | 22.8 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 103.3 | 128.8 | 151.9 | 68.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 611 | V | 24.2 | Very low | 22.8 | Very low | 146 Ų | 146 | 143 Ų | 143 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | 63.1 | 87.6 | 156.3 | -173.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 612 | G | 23.6 | Very low | 22.7 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | 91.4 | 94.4 | 99.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 613 | S | 22.7 | Very low | 22.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -159.6 | 149.9 | 137.2 | 58 | 0 | 0 | 0 | 0 | 112.3 | S615 | S613-S615 PolarHBondContact O-N 2.71Š| ||
| 614 | R | 23.7 | Very low | 22.8 | Very low | 257 Ų | 257 | 144.6 Ų | 144.6 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | -80.6 | 108.2 | 176 | -88 | 177.1 | 164.1 | 161.6 | -6 | 110.7 | ||||
| 615 | S | 22.4 | Very low | 22.9 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -91.1 | 155.7 | 164.4 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | S613 | S613-S615 PolarHBondContact O-N 2.71Š| ||
| 616 | R | 19.7 | Very low | 23 | Very low | 229 Ų | 229 | 145.4 Ų | 145.4 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -87 | 145.5 | 178.1 | -62.3 | 174.3 | -178.4 | 163.3 | -0.1 | 109.8 | T618 | R616-T618 PolarHBondContact O-N 3.15Š| ||
| 617 | P | 23 | Very low | 23.1 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -67.6 | 115.6 | 172.8 | 27.9 | -33.2 | 0 | 0 | 0 | 110.4 | M619 | P617-M619 PolarHBondContact O-N 3.36Š| ||
| 618 | T | 19.5 | Very low | 23.6 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -76.9 | 112.5 | 173.4 | -45.2 | 0 | 0 | 0 | 0 | 109 | R616 Q620 | R616-T618 PolarHBondContact O-N 3.15Å; T618-Q620 PolarHBondContact O-N 2.92Å | ||
| 619 | M | 23.4 | Very low | 23.9 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -71.1 | 118 | -178.8 | -160.5 | 168.2 | -175.7 | 0 | 0 | 110.4 | P617 | P617-M619 PolarHBondContact O-N 3.36Š| ||
| 620 | Q | 20.9 | Very low | 23.9 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -79.6 | 120.2 | 177.1 | -71 | 177.2 | -28.5 | 0 | 0 | 110 | T618 S622 | T618-Q620 PolarHBondContact O-N 2.92Å; Q620-S622 PolarHBondContact O-N 3.23Å | ||
| 621 | N | 20.8 | Very low | 24.4 | Very low | 156 Ų | 156 | 142 Ų | 142 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 107.3 | 176.2 | -76.5 | -6.6 | 0 | 0 | 0 | 110.9 | ||||
| 622 | S | 19.6 | Very low | 24.9 | Very low | 77 Ų | 77 | 141.2 Ų | 141.2 | 54% | 0.538 | 76% | 0.759 | S | S | . | * | trans | -76.7 | 136.4 | 161.8 | -173.4 | 0 | 0 | 0 | 0 | 110 | Q620 Y624 | Q620-S622 PolarHBondContact O-N 3.23Å; S622-Y624 PolarHBondContact O-N 3.15Å; S622-Y624 VanDerWaalsContact O-N 3.09Å; S622-Y624 WeakPolarHBondContact OG-CE2 3.34Å | ||
| 623 | P | 22.8 | Very low | 25.5 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | trans | -79.2 | 92.5 | 178.5 | 32.3 | -34 | 0 | 0 | 0 | 111.1 | ||||
| 624 | Y | 23.6 | Very low | 26.2 | Very low | 213 Ų | 213 | 142.5 Ų | 142.5 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | -103.9 | 129.3 | 165.4 | -74.7 | -69.5 | 0 | 0 | 0 | 110.8 | S622 | S622-Y624 PolarHBondContact O-N 3.15Å; S622-Y624 VanDerWaalsContact O-N 3.09Å; S622-Y624 WeakPolarHBondContact OG-CE2 3.34Å | ||
| 625 | M | 25.2 | Very low | 27.1 | Very low | 198 Ų | 198 | 133 Ų | 133 | 98% | 0.975 | 71% | 0.711 | S | S | * | * | trans | -124.6 | 95.5 | -174 | -177.3 | 171.5 | 175.4 | 0 | 0 | 107.8 | ||||
| 626 | G | 24.1 | Very low | 28.1 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | trans | -104.9 | 129.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 627 | D | 24.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | trans | -104 | 153.9 | -178.4 | -165.3 | 17.4 | 0 | 0 | 0 | 110.9 | Y424 | Y424-D627 PolarHBondContact OH-O 3.41Š| ||
| 628 | Q | 33.9 | Very low | 30.9 | Very low | 120 Ų | 120 | 129 Ų | 129 | 56% | 0.561 | 69% | 0.691 | S | S | * | * | trans | 63.1 | 99.7 | 166.9 | -65 | 158 | 55.1 | 0 | 0 | 118.7 | ||||
| 629 | N | 25.6 | Very low | 32.9 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | S | Bend | -155.4 | -20.7 | 114.6 | -110.5 | -53 | 0 | 0 | 0 | 113.8 | |||
| 630 | L | 36.3 | Very low | 35.5 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 42% | 0.424 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -85.3 | 121.6 | 146.3 | -76.9 | 155 | 0 | 0 | 0 | 107.6 | D632 | L630-D632 PolarHBondContact O-N 2.89Š|
| 631 | K | 32.9 | Very low | 38.3 | Very low | 138 Ų | 138 | 112.7 Ų | 112.7 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | trans | -71.6 | 77.8 | 164.3 | -81.6 | -163 | 174.7 | -168.2 | 0 | 108.4 | N633 R752 | K631-N633 PolarHBondContact O-N 3.2Å; K631-N633 VanDerWaalsContact O-N 3.13Å; K631-R752 PolarHBondContact O-NH2 3.49Å | ||
| 632 | D | 33.9 | Very low | 41.3 | Very low | 131 Ų | 131 | 114.5 Ų | 114.5 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | trans | -71.2 | 110.9 | -170.6 | -167.9 | 19.2 | 0 | 0 | 0 | 111.1 | L630 D634 | L630-D632 PolarHBondContact O-N 2.89Å; D632-D634 PolarHBondContact O-N 2.89Å | ||
| 633 | N | 36.8 | Very low | 44.4 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 58% | 0.578 | 62% | 0.617 | S | S | * | * | trans | 27.5 | 71.3 | 176.2 | -67.1 | -76.2 | 0 | 0 | 0 | 116.1 | K631 S635 | K631-N633 PolarHBondContact O-N 3.2Å; K631-N633 VanDerWaalsContact O-N 3.13Å; N633-S635 PolarHBondContact O-N 3.13Å; N633-S635 PolarHBondContact O-OG 3.34Å | ||
| 634 | D | 37.1 | Very low | 47.4 | Very low | 115 Ų | 115 | 112.7 Ų | 112.7 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | trans | -54.5 | 78.6 | 162.5 | -94 | -45.9 | 0 | 0 | 0 | 110.8 | D632 | D632-D634 PolarHBondContact O-N 2.89Š| ||
| 635 | S | 42.3 | Very low | 50.4 | Low | 56 Ų | 56 | 105.6 Ų | 105.6 | 39% | 0.392 | 55% | 0.553 | S | S | . | * | trans | -97.2 | 92 | 175.3 | 38.9 | 0 | 0 | 0 | 0 | 105.3 | N633 K637 K823 | N633-S635 PolarHBondContact O-N 3.13Å; N633-S635 PolarHBondContact O-OG 3.34Å; S635-K637 PolarHBondContact O-N 2.9Å; S635-K823 PolarHBondContact OG-NZ 2.82Å | ||
| 636 | Q | 43 | Very low | 53.3 | Low | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | trans | -46.4 | 131.5 | -173.6 | -61.8 | -170.7 | 10.6 | 0 | 0 | 110.2 | G638 E948 | Q636-G638 PolarHBondContact O-N 3.21Å; Q636-E948 PolarHBondContact NE2-OE1 3.45Å | ||
| 637 | K | 44.5 | Very low | 56 | Low | 218 Ų | 218 | 97.1 Ų | 97.1 | 95% | 0.948 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -78 | 24.4 | -155.7 | -65.6 | 173.6 | 178.5 | 168.7 | 0 | 114.8 | S635 | S635-K637 PolarHBondContact O-N 2.9Š|
| 638 | G | 57.1 | Low | 58.7 | Low | 58 Ų | 58 | 93.2 Ų | 93.2 | 60% | 0.598 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -134.7 | -176.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q636 | Q636-G638 PolarHBondContact O-N 3.21Š|
| 639 | S | 63.2 | Low | 61 | Low | 80 Ų | 80 | 89 Ų | 89 | 56% | 0.559 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -73.9 | 149.7 | 158.2 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | S641 E937 | S639-S641 PolarHBondContact O-N 3.46Å; S639-E937 WeakPolarHBondContact CB-OE1 3.4Å |
| 640 | V | 77.9 | Confident | 63.6 | Low | 11 Ų | 11 | 88.1 Ų | 88.1 | 7% | 0.067 | 44% | 0.443 | C | S | . | . | trans | -44.1 | 130.6 | 177.8 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | V644 Y645 E937 F940 N941 | V640-V644 HydrophobicContact CG1-CB 3.69Å; V640-V644 HydrophobicContact CG1-CG1 3.84Å; V640-V644 HydrophobicContact CG1-CG2 3.94Å; V640-Y645 HydrophobicContact CB-CE2 3.94Å; V640-Y645 HydrophobicContact CG1-CD2 4.16Å; V640-Y645 HydrophobicContact CG1-CE2 3.55Å; V640-E937 HydrophobicContact CG2-CG 4.36Å; V640-F940 HydrophobicContact CB-CB 4.49Å; V640-F940 HydrophobicContact CG1-CB 4.06Å; V640-F940 HydrophobicContact CG2-CB 3.89Å; V640-N941 WeakPolarHBondContact CG2-OD1 3.48Å | ||
| 641 | S | 79.9 | Confident | 65.3 | Low | 60 Ų | 60 | 85 Ų | 85 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | trans | -67.9 | 142.5 | -178.5 | -178 | 0 | 0 | 0 | 0 | 112.4 | S639 R643 V644 E944 | S639-S641 PolarHBondContact O-N 3.46Å; S641-R643 PolarHBondContact O-N 3.37Å; S641-R643 PolarHBondContact OG-N 2.88Å; S641-V644 WeakPolarHBondContact O-CB 3.46Å; S641-V644 PolarHBondContact O-N 3.29Å; S641-E944 PolarHBondContact N-OE1 3.38Å; S641-E944 VanDerWaalsContact N-OE1 3.14Å | ||
| 642 | W | 83.6 | Confident | 67 | Low | 195 Ų | 195 | 79.2 Ų | 79.2 | 74% | 0.739 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -54.8 | -26.9 | 173.3 | -174.5 | -114.6 | 0 | 0 | 0 | 112.9 | V644 Y645 H646 | W642-V644 VanDerWaalsContact C-N 3.27Å; W642-V644 PolarHBondContact O-N 3.19Å; W642-Y645 HydrophobicContact CE3-CD2 4.2Å; W642-Y645 HydrophobicContact CE3-CG 4.37Å; W642-Y645 PolarHBondContact O-N 3.19Å; W642-H646 PolarHBondContact O-N 3.46Å |
| 643 | R | 85.1 | Confident | 68.8 | Low | 157 Ų | 157 | 75 Ų | 75 | 59% | 0.592 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.8 | -35.5 | 173.1 | -176 | 176.1 | 176.9 | 168.7 | -0 | 113 | S641 H646 Q647 | S641-R643 PolarHBondContact O-N 3.37Å; S641-R643 PolarHBondContact OG-N 2.88Å; R643-H646 PolarHBondContact O-N 3.4Å; R643-Q647 HydrophobicContact CG-CG 4.48Å; R643-Q647 WeakPolarHBondContact O-CB 3.26Å; R643-Q647 WeakPolarHBondContact O-CG 3.4Å; R643-Q647 PolarHBondContact O-N 2.8Å |
| 644 | V | 85.8 | Confident | 70.8 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.03 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.8 | -48.2 | 178.6 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | V640 S641 W642 H646 Q647 Y648 F940 V943 E944 L947 | V640-V644 HydrophobicContact CG1-CB 3.69Å; V640-V644 HydrophobicContact CG1-CG1 3.84Å; V640-V644 HydrophobicContact CG1-CG2 3.94Å; S641-V644 WeakPolarHBondContact O-CB 3.46Å; S641-V644 PolarHBondContact O-N 3.29Å; W642-V644 VanDerWaalsContact C-N 3.27Å; W642-V644 PolarHBondContact O-N 3.19Å; V644-H646 VanDerWaalsContact C-N 3.31Å; V644-H646 PolarHBondContact O-N 2.9Å; V644-Q647 PolarHBondContact O-N 2.84Å; V644-Y648 WeakPolarHBondContact O-CB 3.46Å; V644-Y648 PolarHBondContact O-N 2.93Å; V644-F940 HydrophobicContact CG1-CD1 4.08Å; V644-V943 HydrophobicContact CG1-CB 4.22Å; V644-V943 HydrophobicContact CG1-CG1 4.25Å; V644-E944 HydrophobicContact CG1-CB 4.21Å; V644-E944 HydrophobicContact CG2-CB 3.74Å; V644-E944 HydrophobicContact CG2-CG 3.52Å; V644-E944 WeakPolarHBondContact CG2-OE1 3.5Å; V644-L947 HydrophobicContact CG1-CD1 4.04Å |
| 645 | Y | 86.2 | Confident | 73 | Confident | 64 Ų | 64 | 71.6 Ų | 71.6 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.9 | -64.3 | -84.3 | 0 | 0 | 0 | 111.4 | V640 W642 Y648 C649 F940 | V640-Y645 HydrophobicContact CB-CE2 3.94Å; V640-Y645 HydrophobicContact CG1-CD2 4.16Å; V640-Y645 HydrophobicContact CG1-CE2 3.55Å; W642-Y645 HydrophobicContact CE3-CD2 4.2Å; W642-Y645 HydrophobicContact CE3-CG 4.37Å; W642-Y645 PolarHBondContact O-N 3.19Å; Y645-Y648 PolarHBondContact O-N 2.88Å; Y645-C649 WeakPolarHBondContact O-CB 3.38Å; Y645-C649 PolarHBondContact O-N 2.86Å; Y645-C649 PolarHBondContact O-SG 3.24Å; Y645-F940 HydrophobicContact CD1-CD1 4.3Å; Y645-F940 HydrophobicContact CD1-CD2 4.4Å; Y645-F940 AromaticContact CD1-CE1 3.99Å; Y645-F940 HydrophobicContact CD1-CE1 3.99Å; Y645-F940 HydrophobicContact CD1-CE2 4.09Å; Y645-F940 HydrophobicContact CD1-CG 4.5Å; Y645-F940 AromaticContact CD1-CZ 3.89Å; Y645-F940 HydrophobicContact CD1-CZ 3.89Å; Y645-F940 HydrophobicContact CE1-CD1 4.08Å; Y645-F940 AromaticContact CE1-CD2 3.55Å; Y645-F940 HydrophobicContact CE1-CD2 3.55Å; Y645-F940 HydrophobicContact CE1-CE1 4.08Å; Y645-F940 AromaticContact CE1-CE2 3.55Å; Y645-F940 HydrophobicContact CE1-CE2 3.55Å; Y645-F940 AromaticContact CE1-CG 3.83Å; Y645-F940 HydrophobicContact CE1-CG 3.83Å; Y645-F940 AromaticContact CE1-CZ 3.83Å; Y645-F940 HydrophobicContact CE1-CZ 3.83Å |
| 646 | H | 85 | Confident | 75 | Confident | 59 Ų | 59 | 77 Ų | 77 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 174 | 169.9 | 76.6 | 0 | 0 | 0 | 112.8 | W642 R643 V644 Y648 C649 Q650 Y655 | W642-H646 PolarHBondContact O-N 3.46Å; R643-H646 PolarHBondContact O-N 3.4Å; V644-H646 VanDerWaalsContact C-N 3.31Å; V644-H646 PolarHBondContact O-N 2.9Å; H646-Y648 PolarHBondContact O-N 3.01Å; H646-C649 PolarHBondContact O-N 3.13Å; H646-Q650 PolarHBondContact CE1-NE2 3.13Å; H646-Q650 VanDerWaalsContact CE1-NE2 3.27Å; H646-Q650 PolarHBondContact NE2-NE2 2.86Å; H646-Q650 VanDerWaalsContact NE2-NE2 3.17Å; H646-Q650 PolarHBondContact O-N 2.9Å; H646-Y655 AromaticContact ND1-CZ 3.66Å; H646-Y655 PolarHBondContact ND1-OH 2.99Å |
| 647 | Q | 81.6 | Confident | 76.6 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 17% | 0.173 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 179.5 | -74.9 | 176.9 | -43.8 | 0 | 0 | 112 | R643 V644 Q650 A651 L947 | R643-Q647 HydrophobicContact CG-CG 4.48Å; R643-Q647 WeakPolarHBondContact O-CB 3.26Å; R643-Q647 WeakPolarHBondContact O-CG 3.4Å; R643-Q647 PolarHBondContact O-N 2.8Å; V644-Q647 PolarHBondContact O-N 2.84Å; Q647-Q650 PolarHBondContact O-N 3.18Å; Q647-A651 WeakPolarHBondContact O-CB 3.42Å; Q647-A651 PolarHBondContact O-N 3.18Å; Q647-L947 HydrophobicContact CB-CD1 3.85Å; Q647-L947 HydrophobicContact CB-CD2 4.08Å |
| 648 | Y | 81.6 | Confident | 78.3 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 14% | 0.137 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 172.6 | -179.4 | -106.4 | 0 | 0 | 0 | 111.5 | V644 Y645 H646 Q650 A651 V652 L764 L768 F940 V943 | V644-Y648 WeakPolarHBondContact O-CB 3.46Å; V644-Y648 PolarHBondContact O-N 2.93Å; Y645-Y648 PolarHBondContact O-N 2.88Å; H646-Y648 PolarHBondContact O-N 3.01Å; Y648-Q650 VanDerWaalsContact C-N 3.28Å; Y648-Q650 PolarHBondContact O-N 3.38Å; Y648-A651 PolarHBondContact O-N 3.34Å; Y648-A651 VanDerWaalsContact O-N 3.11Å; Y648-V652 HydrophobicContact CD1-CG2 4.13Å; Y648-V652 HydrophobicContact CD2-CG2 4.26Å; Y648-V652 HydrophobicContact CE1-CG2 3.83Å; Y648-V652 HydrophobicContact CE2-CG2 3.97Å; Y648-V652 HydrophobicContact CG-CG2 4.33Å; Y648-V652 WeakPolarHBondContact O-CB 3.26Å; Y648-V652 WeakPolarHBondContact O-CG2 3.36Å; Y648-V652 PolarHBondContact O-N 3.49Å; Y648-L764 HydrophobicContact CD2-CD1 4.46Å; Y648-L764 HydrophobicContact CE2-CD1 4.02Å; Y648-L768 HydrophobicContact CE2-CD2 4.25Å; Y648-F940 AromaticContact CD1-CE1 3.95Å; Y648-F940 HydrophobicContact CD1-CE1 3.95Å; Y648-F940 HydrophobicContact CD1-CZ 4.03Å; Y648-F940 HydrophobicContact CE1-CE1 4.42Å; Y648-F940 HydrophobicContact CE1-CZ 4.18Å; Y648-F940 HydrophobicContact CG-CE1 4Å; Y648-V943 HydrophobicContact CD2-CG1 4.16Å |
| 649 | C | 80.8 | Confident | 79.6 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -35.5 | 175.5 | -70.7 | 0 | 0 | 0 | 0 | 113 | Y645 H646 G654 Y655 T658 | Y645-C649 WeakPolarHBondContact O-CB 3.38Å; Y645-C649 PolarHBondContact O-N 2.86Å; Y645-C649 PolarHBondContact O-SG 3.24Å; H646-C649 PolarHBondContact O-N 3.13Å; C649-G654 VanDerWaalsContact O-CA 3.29Å; C649-G654 WeakPolarHBondContact O-CA 3.47Å; C649-G654 PolarHBondContact O-N 2.95Å; C649-Y655 HydrophobicContact CB-CE1 4.39Å; C649-T658 HydrophobicContact CB-CG2 4.14Å |
| 650 | Q | 80.4 | Confident | 80.4 | Confident | 98 Ų | 98 | 68 Ų | 68 | 46% | 0.458 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 172.2 | -73 | -176.9 | -19.9 | 0 | 0 | 112.4 | H646 Q647 Y648 V652 G653 G654 | H646-Q650 PolarHBondContact CE1-NE2 3.13Å; H646-Q650 VanDerWaalsContact CE1-NE2 3.27Å; H646-Q650 PolarHBondContact NE2-NE2 2.86Å; H646-Q650 VanDerWaalsContact NE2-NE2 3.17Å; H646-Q650 PolarHBondContact O-N 2.9Å; Q647-Q650 PolarHBondContact O-N 3.18Å; Y648-Q650 VanDerWaalsContact C-N 3.28Å; Y648-Q650 PolarHBondContact O-N 3.38Å; Q650-V652 VanDerWaalsContact C-N 3.32Å; Q650-V652 PolarHBondContact O-N 3Å; Q650-G653 PolarHBondContact O-N 3.21Å; Q650-G654 PolarHBondContact O-N 3.09Å |
| 651 | A | 72.8 | Confident | 80.3 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 13% | 0.132 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | Q647 Y648 G653 E729 | Q647-A651 WeakPolarHBondContact O-CB 3.42Å; Q647-A651 PolarHBondContact O-N 3.18Å; Y648-A651 PolarHBondContact O-N 3.34Å; Y648-A651 VanDerWaalsContact O-N 3.11Å; A651-G653 PolarHBondContact O-N 3.14Å; A651-G653 VanDerWaalsContact O-N 3.15Å; A651-E729 HydrophobicContact CB-CG 3.69Å; A651-E729 WeakPolarHBondContact CB-OE1 3.38Å |
| 652 | V | 69.6 | Low | 80.4 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.7 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 113.5 | Y648 Q650 V657 T658 L724 C725 | Y648-V652 HydrophobicContact CD1-CG2 4.13Å; Y648-V652 HydrophobicContact CD2-CG2 4.26Å; Y648-V652 HydrophobicContact CE1-CG2 3.83Å; Y648-V652 HydrophobicContact CE2-CG2 3.97Å; Y648-V652 HydrophobicContact CG-CG2 4.33Å; Y648-V652 WeakPolarHBondContact O-CB 3.26Å; Y648-V652 WeakPolarHBondContact O-CG2 3.36Å; Y648-V652 PolarHBondContact O-N 3.49Å; Q650-V652 VanDerWaalsContact C-N 3.32Å; Q650-V652 PolarHBondContact O-N 3Å; V652-V657 HydrophobicContact CG1-CG1 4.37Å; V652-T658 HydrophobicContact CB-CG2 4.31Å; V652-T658 HydrophobicContact CG1-CG2 3.84Å; V652-L724 WeakPolarHBondContact O-CB 3.38Å; V652-C725 HydrophobicContact CG2-CB 3.99Å |
| 653 | G | 69.8 | Low | 80.3 | Confident | 41 Ų | 41 | 65 Ų | 65 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 118.4 | 6.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q650 A651 | Q650-G653 PolarHBondContact O-N 3.21Å; A651-G653 PolarHBondContact O-N 3.14Å; A651-G653 VanDerWaalsContact O-N 3.15Å |
| 654 | G | 80.2 | Confident | 80 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | trans | 91.2 | 167.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C649 Q650 F656 V657 T658 | C649-G654 VanDerWaalsContact O-CA 3.29Å; C649-G654 WeakPolarHBondContact O-CA 3.47Å; C649-G654 PolarHBondContact O-N 2.95Å; Q650-G654 PolarHBondContact O-N 3.09Å; G654-F656 PolarHBondContact O-N 3.13Å; G654-F656 VanDerWaalsContact O-N 3.1Å; G654-V657 WeakPolarHBondContact O-CB 3.25Å; G654-V657 PolarHBondContact O-N 3.23Å; G654-T658 PolarHBondContact O-N 3.08Å | ||
| 655 | Y | 83.8 | Confident | 79.6 | Confident | 132 Ų | 132 | 58.9 Ų | 58.9 | 52% | 0.518 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.3 | -33.1 | -170.2 | -74.6 | -64.4 | 0 | 0 | 0 | 115 | H646 C649 V657 T658 F659 | H646-Y655 AromaticContact ND1-CZ 3.66Å; H646-Y655 PolarHBondContact ND1-OH 2.99Å; C649-Y655 HydrophobicContact CB-CE1 4.39Å; Y655-V657 VanDerWaalsContact C-N 3.34Å; Y655-V657 PolarHBondContact O-N 3.37Å; Y655-T658 WeakPolarHBondContact CA-OG1 3.31Å; Y655-T658 PolarHBondContact O-N 3.46Å; Y655-T658 PolarHBondContact O-OG1 3.42Å; Y655-F659 VanDerWaalsContact O-CB 3.23Å; Y655-F659 WeakPolarHBondContact O-CB 3.27Å; Y655-F659 PolarHBondContact O-N 2.98Å |
| 656 | F | 82.9 | Confident | 79.5 | Confident | 169 Ų | 169 | 58.3 Ų | 58.3 | 74% | 0.741 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.6 | -42.4 | 177.3 | -178.4 | -96.6 | 0 | 0 | 0 | 112.3 | G654 F660 | G654-F656 PolarHBondContact O-N 3.13Å; G654-F656 VanDerWaalsContact O-N 3.1Å; F656-F660 WeakPolarHBondContact O-CB 3.46Å; F656-F660 PolarHBondContact O-N 2.96Å |
| 657 | V | 77.6 | Confident | 79.3 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -49.6 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | V652 G654 Y655 F659 F660 T661 L724 | V652-V657 HydrophobicContact CG1-CG1 4.37Å; G654-V657 WeakPolarHBondContact O-CB 3.25Å; G654-V657 PolarHBondContact O-N 3.23Å; Y655-V657 VanDerWaalsContact C-N 3.34Å; Y655-V657 PolarHBondContact O-N 3.37Å; V657-F659 VanDerWaalsContact C-N 3.31Å; V657-F659 PolarHBondContact O-N 3.48Å; V657-F660 PolarHBondContact O-N 3.08Å; V657-T661 PolarHBondContact O-N 3.31Å; V657-T661 PolarHBondContact O-OG1 3.38Å; V657-L724 HydrophobicContact CB-CD1 4.29Å; V657-L724 HydrophobicContact CG1-CB 4.42Å; V657-L724 HydrophobicContact CG1-CD1 3.41Å; V657-L724 VanDerWaalsContact CG1-CD1 3.41Å; V657-L724 HydrophobicContact CG2-CD1 3.84Å |
| 658 | T | 79.4 | Confident | 79.1 | Confident | 22 Ų | 22 | 58 Ų | 58 | 14% | 0.135 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -31.2 | -178.1 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | C649 V652 G654 Y655 T661 I662 | C649-T658 HydrophobicContact CB-CG2 4.14Å; V652-T658 HydrophobicContact CB-CG2 4.31Å; V652-T658 HydrophobicContact CG1-CG2 3.84Å; G654-T658 PolarHBondContact O-N 3.08Å; Y655-T658 WeakPolarHBondContact CA-OG1 3.31Å; Y655-T658 PolarHBondContact O-N 3.46Å; Y655-T658 PolarHBondContact O-OG1 3.42Å; T658-T661 PolarHBondContact O-OG1 2.91Å; T658-T661 VanDerWaalsContact O-OG1 3.12Å; T658-I662 WeakPolarHBondContact O-CB 3.32Å; T658-I662 WeakPolarHBondContact O-CD1 3.25Å; T658-I662 WeakPolarHBondContact O-CG1 3.43Å; T658-I662 PolarHBondContact O-N 3.29Å |
| 659 | F | 83.7 | Confident | 79 | Confident | 141 Ų | 141 | 56.9 Ų | 56.9 | 62% | 0.618 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.7 | -45 | 171.2 | 176.2 | -98.5 | 0 | 0 | 0 | 111 | Y655 V657 I662 F663 | Y655-F659 VanDerWaalsContact O-CB 3.23Å; Y655-F659 WeakPolarHBondContact O-CB 3.27Å; Y655-F659 PolarHBondContact O-N 2.98Å; V657-F659 VanDerWaalsContact C-N 3.31Å; V657-F659 PolarHBondContact O-N 3.48Å; F659-I662 PolarHBondContact O-N 3.27Å; F659-F663 VanDerWaalsContact O-CB 3.25Å; F659-F663 WeakPolarHBondContact O-CB 3.38Å; F659-F663 PolarHBondContact O-N 3.06Å |
| 660 | F | 80.9 | Confident | 79.1 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | -179 | -172.5 | -110.9 | 0 | 0 | 0 | 113 | F656 V657 I664 V720 | F656-F660 WeakPolarHBondContact O-CB 3.46Å; F656-F660 PolarHBondContact O-N 2.96Å; V657-F660 PolarHBondContact O-N 3.08Å; F660-I664 HydrophobicContact CD1-CD1 3.9Å; F660-I664 HydrophobicContact CE1-CD1 3.53Å; F660-I664 HydrophobicContact CZ-CD1 3.87Å; F660-I664 WeakPolarHBondContact O-CG1 3.41Å; F660-I664 PolarHBondContact O-N 3.29Å; F660-V720 HydrophobicContact CD1-CG1 4.17Å; F660-V720 HydrophobicContact CE1-CG1 4.49Å |
| 661 | T | 75.9 | Confident | 78.9 | Confident | 18 Ų | 18 | 52 Ų | 52 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -47.8 | 173 | 51 | 0 | 0 | 0 | 0 | 112.1 | V657 T658 F663 I664 I665 V720 D721 | V657-T661 PolarHBondContact O-N 3.31Å; V657-T661 PolarHBondContact O-OG1 3.38Å; T658-T661 PolarHBondContact O-OG1 2.91Å; T658-T661 VanDerWaalsContact O-OG1 3.12Å; T661-F663 VanDerWaalsContact C-N 3.28Å; T661-F663 PolarHBondContact O-N 3.3Å; T661-I664 PolarHBondContact O-N 3.18Å; T661-I664 VanDerWaalsContact O-N 3.13Å; T661-I665 WeakPolarHBondContact O-CG1 3.42Å; T661-I665 PolarHBondContact O-N 2.95Å; T661-V720 HydrophobicContact CG2-CB 4.1Å; T661-V720 HydrophobicContact CG2-CG1 3.53Å; T661-D721 VanDerWaalsContact CB-OD1 3.24Å; T661-D721 WeakPolarHBondContact CB-OD1 3.43Å; T661-D721 WeakPolarHBondContact CG2-OD1 3.41Å |
| 662 | I | 80.9 | Confident | 79.1 | Confident | 85 Ų | 85 | 53.1 Ų | 53.1 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 175.2 | -69.3 | 168.4 | 0 | 0 | 0 | 110.7 | T658 F659 I664 I665 V666 | T658-I662 WeakPolarHBondContact O-CB 3.32Å; T658-I662 WeakPolarHBondContact O-CD1 3.25Å; T658-I662 WeakPolarHBondContact O-CG1 3.43Å; T658-I662 PolarHBondContact O-N 3.29Å; F659-I662 PolarHBondContact O-N 3.27Å; I662-I664 PolarHBondContact O-N 3.21Å; I662-I665 PolarHBondContact O-N 3.01Å; I662-V666 HydrophobicContact CG2-CG2 4.37Å; I662-V666 WeakPolarHBondContact O-CG2 3.4Å; I662-V666 PolarHBondContact O-N 3.5Å |
| 663 | F | 83 | Confident | 79.5 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 176.2 | 178.6 | -107.2 | 0 | 0 | 0 | 112.6 | F659 T661 V666 L667 | F659-F663 VanDerWaalsContact O-CB 3.25Å; F659-F663 WeakPolarHBondContact O-CB 3.38Å; F659-F663 PolarHBondContact O-N 3.06Å; T661-F663 VanDerWaalsContact C-N 3.28Å; T661-F663 PolarHBondContact O-N 3.3Å; F663-V666 PolarHBondContact O-N 3.23Å; F663-L667 HydrophobicContact CD1-CD1 4.21Å; F663-L667 HydrophobicContact CE1-CD1 3.57Å; F663-L667 HydrophobicContact CE2-CD1 4.48Å; F663-L667 HydrophobicContact CZ-CD1 3.73Å; F663-L667 HydrophobicContact CZ-CG 4.48Å; F663-L667 WeakPolarHBondContact O-CB 3.31Å; F663-L667 PolarHBondContact O-N 2.87Å |
| 664 | I | 78.3 | Confident | 80.1 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.1 | -73.6 | 169.1 | 0 | 0 | 0 | 111.6 | F660 T661 I662 L667 M668 V720 | F660-I664 HydrophobicContact CD1-CD1 3.9Å; F660-I664 HydrophobicContact CE1-CD1 3.53Å; F660-I664 HydrophobicContact CZ-CD1 3.87Å; F660-I664 WeakPolarHBondContact O-CG1 3.41Å; F660-I664 PolarHBondContact O-N 3.29Å; T661-I664 PolarHBondContact O-N 3.18Å; T661-I664 VanDerWaalsContact O-N 3.13Å; I662-I664 PolarHBondContact O-N 3.21Å; I664-L667 WeakPolarHBondContact O-CB 3.37Å; I664-L667 PolarHBondContact O-N 2.89Å; I664-M668 WeakPolarHBondContact O-CB 3.34Å; I664-M668 PolarHBondContact O-N 3.5Å; I664-V720 HydrophobicContact CD1-CG2 4.14Å |
| 665 | I | 78 | Confident | 79.8 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 5% | 0.046 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 178.8 | -61.5 | 164.9 | 0 | 0 | 0 | 110.4 | T661 I662 L667 M668 I669 L776 Q777 L780 | T661-I665 WeakPolarHBondContact O-CG1 3.42Å; T661-I665 PolarHBondContact O-N 2.95Å; I662-I665 PolarHBondContact O-N 3.01Å; I665-L667 VanDerWaalsContact C-N 3.35Å; I665-L667 PolarHBondContact O-N 3.02Å; I665-M668 PolarHBondContact O-N 3.05Å; I665-I669 HydrophobicContact CG2-CD1 3.75Å; I665-I669 WeakPolarHBondContact O-CG1 3.47Å; I665-I669 PolarHBondContact O-N 3.39Å; I665-I669 VanDerWaalsContact O-N 3.07Å; I665-L776 HydrophobicContact CD1-CD1 4.36Å; I665-Q777 HydrophobicContact CG2-CG 4.42Å; I665-L780 HydrophobicContact CB-CD1 4.47Å; I665-L780 HydrophobicContact CG2-CD1 3.73Å |
| 666 | V | 84.1 | Confident | 79.4 | Confident | 52 Ų | 52 | 52.6 Ų | 52.6 | 32% | 0.315 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 172.8 | 171.9 | 0 | 0 | 0 | 0 | 111 | I662 F663 I669 G670 L780 F784 | I662-V666 HydrophobicContact CG2-CG2 4.37Å; I662-V666 WeakPolarHBondContact O-CG2 3.4Å; I662-V666 PolarHBondContact O-N 3.5Å; F663-V666 PolarHBondContact O-N 3.23Å; V666-I669 PolarHBondContact O-N 3.4Å; V666-G670 PolarHBondContact O-N 2.99Å; V666-L780 HydrophobicContact CG2-CD1 3.79Å; V666-L780 HydrophobicContact CG2-CD2 3.88Å; V666-F784 HydrophobicContact CG1-CZ 4.37Å |
| 667 | L | 80.9 | Confident | 79.3 | Confident | 78 Ų | 78 | 49.1 Ų | 49.1 | 41% | 0.408 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.4 | -110.1 | 168.7 | 0 | 0 | 0 | 112.8 | F663 I664 I665 S671 | F663-L667 HydrophobicContact CD1-CD1 4.21Å; F663-L667 HydrophobicContact CE1-CD1 3.57Å; F663-L667 HydrophobicContact CE2-CD1 4.48Å; F663-L667 HydrophobicContact CZ-CD1 3.73Å; F663-L667 HydrophobicContact CZ-CG 4.48Å; F663-L667 WeakPolarHBondContact O-CB 3.31Å; F663-L667 PolarHBondContact O-N 2.87Å; I664-L667 WeakPolarHBondContact O-CB 3.37Å; I664-L667 PolarHBondContact O-N 2.89Å; I665-L667 VanDerWaalsContact C-N 3.35Å; I665-L667 PolarHBondContact O-N 3.02Å; L667-S671 WeakPolarHBondContact O-CB 3.13Å; L667-S671 PolarHBondContact O-N 2.94Å |
| 668 | M | 75.9 | Confident | 79.3 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 5% | 0.054 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 178.8 | -177.9 | -173.9 | 72.6 | 0 | 0 | 112.2 | I664 I665 T672 Q714 Q777 | I664-M668 WeakPolarHBondContact O-CB 3.34Å; I664-M668 PolarHBondContact O-N 3.5Å; I665-M668 PolarHBondContact O-N 3.05Å; M668-T672 PolarHBondContact O-N 2.81Å; M668-T672 VanDerWaalsContact O-N 3.16Å; M668-T672 PolarHBondContact O-OG1 2.77Å; M668-T672 VanDerWaalsContact O-OG1 3.07Å; M668-Q714 PolarHBondContact SD-NE2 3.4Å; M668-Q777 HydrophobicContact CE-CG 4.2Å |
| 669 | I | 80.1 | Confident | 78.9 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -80.9 | -39.8 | -177.8 | -60 | 167.6 | 0 | 0 | 0 | 110.4 | I665 V666 S671 T672 A673 Q777 L780 L781 F784 | I665-I669 HydrophobicContact CG2-CD1 3.75Å; I665-I669 WeakPolarHBondContact O-CG1 3.47Å; I665-I669 PolarHBondContact O-N 3.39Å; I665-I669 VanDerWaalsContact O-N 3.07Å; V666-I669 PolarHBondContact O-N 3.4Å; I669-S671 VanDerWaalsContact C-N 3.34Å; I669-S671 PolarHBondContact O-N 3.09Å; I669-T672 WeakPolarHBondContact O-CB 3.4Å; I669-T672 PolarHBondContact O-N 2.93Å; I669-T672 VanDerWaalsContact O-N 3.09Å; I669-A673 PolarHBondContact O-N 3.45Å; I669-Q777 HydrophobicContact CD1-CB 4.21Å; I669-Q777 HydrophobicContact CD1-CG 4.27Å; I669-L780 HydrophobicContact CD1-CB 3.62Å; I669-L780 HydrophobicContact CD1-CD1 3.96Å; I669-L780 HydrophobicContact CD1-CG 4.45Å; I669-L780 HydrophobicContact CG2-CB 4.42Å; I669-L781 HydrophobicContact CG2-CB 4.4Å; I669-L781 HydrophobicContact CG2-CD1 4.46Å; I669-F784 HydrophobicContact CB-CD2 4.34Å; I669-F784 HydrophobicContact CB-CE2 4.23Å; I669-F784 HydrophobicContact CG2-CD2 3.62Å; I669-F784 HydrophobicContact CG2-CE2 4.02Å |
| 670 | G | 82.2 | Confident | 78.6 | Confident | 18 Ų | 18 | 45 Ų | 45 | 19% | 0.186 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V666 T672 A673 F674 | V666-G670 PolarHBondContact O-N 2.99Å; G670-T672 VanDerWaalsContact C-N 3.3Å; G670-T672 PolarHBondContact O-N 2.67Å; G670-A673 PolarHBondContact O-N 3.02Å; G670-F674 VanDerWaalsContact O-CB 3.25Å; G670-F674 WeakPolarHBondContact O-CB 3.37Å; G670-F674 PolarHBondContact O-N 3.29Å |
| 671 | S | 76.9 | Confident | 78.3 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 170.1 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | L667 I669 S675 W709 | L667-S671 WeakPolarHBondContact O-CB 3.13Å; L667-S671 PolarHBondContact O-N 2.94Å; I669-S671 VanDerWaalsContact C-N 3.34Å; I669-S671 PolarHBondContact O-N 3.09Å; S671-S675 VanDerWaalsContact O-CB 3.24Å; S671-S675 WeakPolarHBondContact O-CB 3.45Å; S671-S675 PolarHBondContact O-N 2.64Å; S671-W709 WeakPolarHBondContact OG-CZ3 3.35Å |
| 672 | T | 76.3 | Confident | 78.1 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.3 | -40.4 | 177.5 | -63 | 0 | 0 | 0 | 0 | 112.4 | M668 I669 G670 S675 N676 | M668-T672 PolarHBondContact O-N 2.81Å; M668-T672 VanDerWaalsContact O-N 3.16Å; M668-T672 PolarHBondContact O-OG1 2.77Å; M668-T672 VanDerWaalsContact O-OG1 3.07Å; I669-T672 WeakPolarHBondContact O-CB 3.4Å; I669-T672 PolarHBondContact O-N 2.93Å; I669-T672 VanDerWaalsContact O-N 3.09Å; G670-T672 VanDerWaalsContact C-N 3.3Å; G670-T672 PolarHBondContact O-N 2.67Å; T672-S675 PolarHBondContact O-N 3.5Å; T672-N676 PolarHBondContact O-N 3.04Å |
| 673 | A | 79.3 | Confident | 77.5 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | I669 G670 S675 N676 W677 F784 I788 | I669-A673 PolarHBondContact O-N 3.45Å; G670-A673 PolarHBondContact O-N 3.02Å; A673-S675 VanDerWaalsContact C-N 3.33Å; A673-S675 PolarHBondContact O-N 3.42Å; A673-N676 PolarHBondContact O-N 3.11Å; A673-N676 VanDerWaalsContact O-N 3.15Å; A673-W677 PolarHBondContact O-N 3.46Å; A673-F784 HydrophobicContact CB-CB 4.31Å; A673-F784 HydrophobicContact CB-CD1 4.28Å; A673-F784 HydrophobicContact CB-CG 4.34Å; A673-I788 HydrophobicContact CB-CD1 4.37Å |
| 674 | F | 81.1 | Confident | 76.7 | Confident | 104 Ų | 104 | 42.6 Ų | 42.6 | 46% | 0.456 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 175.2 | 179.7 | -101.1 | 0 | 0 | 0 | 112.3 | G670 N676 W677 W678 | G670-F674 VanDerWaalsContact O-CB 3.25Å; G670-F674 WeakPolarHBondContact O-CB 3.37Å; G670-F674 PolarHBondContact O-N 3.29Å; F674-N676 VanDerWaalsContact C-N 3.28Å; F674-N676 PolarHBondContact O-N 3.3Å; F674-W677 AromaticContact CD2-CE3 3.99Å; F674-W677 HydrophobicContact CD2-CE3 3.99Å; F674-W677 HydrophobicContact CD2-CZ3 4.35Å; F674-W677 AromaticContact CE2-CE3 3.89Å; F674-W677 HydrophobicContact CE2-CE3 3.89Å; F674-W677 AromaticContact CE2-CZ3 3.81Å; F674-W677 HydrophobicContact CE2-CZ3 3.81Å; F674-W677 PolarHBondContact O-N 3.03Å; F674-W678 HydrophobicContact CZ-CE3 4.34Å; F674-W678 VanDerWaalsContact O-CB 3.24Å; F674-W678 WeakPolarHBondContact O-CB 3.32Å; F674-W678 PolarHBondContact O-N 3.45Å |
| 675 | S | 75.1 | Confident | 76.3 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 30% | 0.301 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.5 | -35.5 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | S671 T672 A673 L679 | S671-S675 VanDerWaalsContact O-CB 3.24Å; S671-S675 WeakPolarHBondContact O-CB 3.45Å; S671-S675 PolarHBondContact O-N 2.64Å; T672-S675 PolarHBondContact O-N 3.5Å; A673-S675 VanDerWaalsContact C-N 3.33Å; A673-S675 PolarHBondContact O-N 3.42Å; S675-L679 PolarHBondContact O-N 2.98Å |
| 676 | N | 75.4 | Confident | 75.3 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -82.6 | -37.7 | 179.5 | -67.4 | -13.1 | 0 | 0 | 0 | 111.5 | T672 A673 F674 L679 S680 L914 Y918 | T672-N676 PolarHBondContact O-N 3.04Å; A673-N676 PolarHBondContact O-N 3.11Å; A673-N676 VanDerWaalsContact O-N 3.15Å; F674-N676 VanDerWaalsContact C-N 3.28Å; F674-N676 PolarHBondContact O-N 3.3Å; N676-L679 WeakPolarHBondContact O-CB 3.47Å; N676-L679 PolarHBondContact O-N 2.66Å; N676-S680 PolarHBondContact O-N 3.23Å; N676-S680 VanDerWaalsContact O-N 3.08Å; N676-L914 HydrophobicContact CB-CD1 4.21Å; N676-Y918 HydrophobicContact CB-CE2 3.93Å; N676-Y918 PolarHBondContact ND2-OH 3.01Å |
| 677 | W | 81.1 | Confident | 73.5 | Confident | 97 Ų | 97 | 52.7 Ų | 52.7 | 37% | 0.367 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 171.5 | 175.9 | 83.9 | 0 | 0 | 0 | 112.1 | A673 F674 L679 S680 Y681 L914 | A673-W677 PolarHBondContact O-N 3.46Å; F674-W677 AromaticContact CD2-CE3 3.99Å; F674-W677 HydrophobicContact CD2-CE3 3.99Å; F674-W677 HydrophobicContact CD2-CZ3 4.35Å; F674-W677 AromaticContact CE2-CE3 3.89Å; F674-W677 HydrophobicContact CE2-CE3 3.89Å; F674-W677 AromaticContact CE2-CZ3 3.81Å; F674-W677 HydrophobicContact CE2-CZ3 3.81Å; F674-W677 PolarHBondContact O-N 3.03Å; W677-L679 VanDerWaalsContact C-N 3.26Å; W677-L679 PolarHBondContact O-N 3.45Å; W677-S680 WeakPolarHBondContact O-CB 3.39Å; W677-S680 PolarHBondContact O-N 3.02Å; W677-S680 VanDerWaalsContact O-N 3.15Å; W677-Y681 PolarHBondContact O-N 3.2Å; W677-L914 HydrophobicContact CB-CD2 4.2Å; W677-L914 HydrophobicContact CG-CD2 4.46Å |
| 678 | W | 76.3 | Confident | 71.9 | Confident | 74 Ų | 74 | 52 Ų | 52 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 174.5 | 179.5 | -88.9 | 0 | 0 | 0 | 112.2 | F674 Y681 W682 | F674-W678 HydrophobicContact CZ-CE3 4.34Å; F674-W678 VanDerWaalsContact O-CB 3.24Å; F674-W678 WeakPolarHBondContact O-CB 3.32Å; F674-W678 PolarHBondContact O-N 3.45Å; W678-Y681 HydrophobicContact CZ3-CD1 4.43Å; W678-Y681 PolarHBondContact O-N 3.4Å; W678-W682 WeakPolarHBondContact O-CB 3.38Å; W678-W682 PolarHBondContact O-N 3.47Å |
| 679 | L | 72.3 | Confident | 70.4 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 175 | -173.5 | 66.2 | 0 | 0 | 0 | 111.4 | I258 S675 N676 W677 Y681 W682 L683 M703 | I258-L679 HydrophobicContact CD1-CD2 3.53Å; S675-L679 PolarHBondContact O-N 2.98Å; N676-L679 WeakPolarHBondContact O-CB 3.47Å; N676-L679 PolarHBondContact O-N 2.66Å; W677-L679 VanDerWaalsContact C-N 3.26Å; W677-L679 PolarHBondContact O-N 3.45Å; L679-Y681 VanDerWaalsContact C-N 3.35Å; L679-W682 HydrophobicContact CD1-CE3 3.83Å; L679-W682 HydrophobicContact CD1-CZ3 4.31Å; L679-W682 PolarHBondContact O-N 3.36Å; L679-L683 HydrophobicContact CG-CD1 4.25Å; L679-L683 WeakPolarHBondContact O-CB 3.31Å; L679-L683 VanDerWaalsContact O-CG 3.28Å; L679-L683 WeakPolarHBondContact O-CG 3.2Å; L679-L683 PolarHBondContact O-N 2.8Å; L679-M703 HydrophobicContact CD1-CE 4.07Å |
| 680 | S | 75.5 | Confident | 68.7 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 172.4 | 172.8 | 0 | 0 | 0 | 0 | 112.6 | N676 W677 G684 S910 | N676-S680 PolarHBondContact O-N 3.23Å; N676-S680 VanDerWaalsContact O-N 3.08Å; W677-S680 WeakPolarHBondContact O-CB 3.39Å; W677-S680 PolarHBondContact O-N 3.02Å; W677-S680 VanDerWaalsContact O-N 3.15Å; S680-G684 PolarHBondContact O-N 3.23Å; S680-G684 VanDerWaalsContact O-N 3.1Å; S680-S910 WeakPolarHBondContact O-CB 3.49Å; S680-S910 PolarHBondContact O-OG 3.21Å; S680-S910 PolarHBondContact OG-O 3.33Å |
| 681 | Y | 76.1 | Confident | 66.9 | Low | 108 Ų | 108 | 67.1 Ų | 67.1 | 42% | 0.424 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 172.9 | -178.5 | -91 | 0 | 0 | 0 | 112.1 | W677 W678 L679 G684 Q685 | W677-Y681 PolarHBondContact O-N 3.2Å; W678-Y681 HydrophobicContact CZ3-CD1 4.43Å; W678-Y681 PolarHBondContact O-N 3.4Å; L679-Y681 VanDerWaalsContact C-N 3.35Å; Y681-G684 PolarHBondContact O-N 2.97Å; Y681-Q685 HydrophobicContact CE1-CG 4.13Å; Y681-Q685 WeakPolarHBondContact O-CG 3.42Å |
| 682 | W | 72.2 | Confident | 65.3 | Low | 94 Ų | 94 | 71.4 Ų | 71.4 | 36% | 0.356 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 178.4 | 174.7 | 70.2 | 0 | 0 | 0 | 112.9 | W678 L679 Q685 | W678-W682 WeakPolarHBondContact O-CB 3.38Å; W678-W682 PolarHBondContact O-N 3.47Å; L679-W682 HydrophobicContact CD1-CE3 3.83Å; L679-W682 HydrophobicContact CD1-CZ3 4.31Å; L679-W682 PolarHBondContact O-N 3.36Å; W682-Q685 PolarHBondContact O-N 3.26Å |
| 683 | L | 67.9 | Low | 63.9 | Low | 6 Ų | 6 | 76.7 Ų | 76.7 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.7 | -73.5 | 170.3 | 0 | 0 | 0 | 111.3 | S250 A254 F255 L679 Q685 G686 | S250-L683 WeakPolarHBondContact O-CD2 3.39Å; A254-L683 HydrophobicContact CB-CD1 3.93Å; A254-L683 HydrophobicContact CB-CD2 3.98Å; F255-L683 HydrophobicContact CD2-CD1 4.2Å; F255-L683 HydrophobicContact CE1-CD1 4.5Å; F255-L683 HydrophobicContact CE2-CD1 3.59Å; F255-L683 HydrophobicContact CZ-CD1 3.76Å; L679-L683 HydrophobicContact CG-CD1 4.25Å; L679-L683 WeakPolarHBondContact O-CB 3.31Å; L679-L683 VanDerWaalsContact O-CG 3.28Å; L679-L683 WeakPolarHBondContact O-CG 3.2Å; L679-L683 PolarHBondContact O-N 2.8Å; L683-Q685 PolarHBondContact O-N 2.91Å; L683-G686 PolarHBondContact O-N 3.05Å |
| 684 | G | 66.2 | Low | 62.1 | Low | 39 Ų | 39 | 86.4 Ų | 86.4 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 8.1 | 177 | 0 | 0 | 0 | 0 | 0 | 116.4 | S680 Y681 | S680-G684 PolarHBondContact O-N 3.23Å; S680-G684 VanDerWaalsContact O-N 3.1Å; Y681-G684 PolarHBondContact O-N 2.97Å |
| 685 | Q | 68.6 | Low | 60.5 | Low | 130 Ų | 130 | 83.5 Ų | 83.5 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 10.9 | 170.8 | -66.2 | -78.3 | -59 | 0 | 0 | 111.9 | Y681 W682 L683 D687 | Y681-Q685 HydrophobicContact CE1-CG 4.13Å; Y681-Q685 WeakPolarHBondContact O-CG 3.42Å; W682-Q685 PolarHBondContact O-N 3.26Å; L683-Q685 PolarHBondContact O-N 2.91Å; Q685-D687 PolarHBondContact O-N 2.8Å |
| 686 | G | 57.4 | Low | 59.1 | Low | 56 Ų | 56 | 83.2 Ų | 83.2 | 58% | 0.577 | 45% | 0.449 | S | S | * | . | trans | -74.2 | 105.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L683 | L683-G686 PolarHBondContact O-N 3.05Š| ||
| 687 | D | 46.1 | Very low | 57.5 | Low | 113 Ų | 113 | 85 Ų | 85 | 60% | 0.604 | 46% | 0.464 | S | S | * | . | -142.7 | 142.6 | 117.3 | -170.5 | 23.2 | 0 | 0 | 0 | 110.6 | Q685 T689 | Q685-D687 PolarHBondContact O-N 2.8Å; D687-T689 VanDerWaalsContact C-N 3.3Å; D687-T689 PolarHBondContact O-N 2.86Å; D687-T689 WeakPolarHBondContact OD2-CB 3.31Å; D687-T689 WeakPolarHBondContact OD2-CG2 3.45Å; D687-T689 PolarHBondContact OD2-OG1 3.32Å | |||
| 688 | G | 48.8 | Very low | 55.9 | Low | 62 Ų | 62 | 88.3 Ų | 88.3 | 64% | 0.639 | 48% | 0.481 | S | S | * | . | trans | -80.5 | -8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H690 V691 | G688-H690 VanDerWaalsContact C-N 3.32Å; G688-H690 PolarHBondContact O-N 3.49Å; G688-V691 PolarHBondContact O-N 2.83Å | ||
| 689 | T | 44.2 | Very low | 54.6 | Low | 99 Ų | 99 | 89 Ų | 89 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -19.5 | -162.2 | 42.6 | 0 | 0 | 0 | 0 | 115.9 | D687 | D687-T689 VanDerWaalsContact C-N 3.3Å; D687-T689 PolarHBondContact O-N 2.86Å; D687-T689 WeakPolarHBondContact OD2-CB 3.31Å; D687-T689 WeakPolarHBondContact OD2-CG2 3.45Å; D687-T689 PolarHBondContact OD2-OG1 3.32Å |
| 690 | H | 44.3 | Very low | 53.6 | Low | 178 Ų | 178 | 91.8 Ų | 91.8 | 82% | 0.824 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | 4.9 | 179.9 | -73.5 | -73.9 | 0 | 0 | 0 | 115.6 | G688 T692 | G688-H690 VanDerWaalsContact C-N 3.32Å; G688-H690 PolarHBondContact O-N 3.49Å; H690-T692 PolarHBondContact O-N 3.24Å |
| 691 | V | 43.6 | Very low | 52.4 | Low | 83 Ų | 83 | 95.2 Ų | 95.2 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | trans | -85.2 | 97.2 | -178.2 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | G688 A695 A696 | G688-V691 PolarHBondContact O-N 2.83Å; V691-A695 HydrophobicContact CG1-CB 3.77Å; V691-A696 HydrophobicContact CG1-CB 4.38Å | ||
| 692 | T | 44.1 | Very low | 51.4 | Low | 97 Ų | 97 | 91.3 Ų | 91.3 | 60% | 0.595 | 51% | 0.509 | S | S | * | . | trans | -53.2 | 148 | 175.9 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | H690 R694 A695 A696 | H690-T692 PolarHBondContact O-N 3.24Å; T692-R694 PolarHBondContact O-N 3.06Å; T692-A695 WeakPolarHBondContact O-CA 3.3Å; T692-A695 WeakPolarHBondContact O-CB 3.35Å; T692-A695 PolarHBondContact O-N 3.42Å; T692-A696 PolarHBondContact O-N 3.38Å | ||
| 693 | L | 47.2 | Very low | 50.6 | Low | 151 Ų | 151 | 89 Ų | 89 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -50.2 | -36.4 | -177.5 | -128.1 | 94.9 | 0 | 0 | 0 | 113.4 | A695 A696 C697 | L693-A695 PolarHBondContact O-N 3.22Å; L693-A696 PolarHBondContact O-N 3.29Å; L693-C697 PolarHBondContact O-N 3.26Å; L693-C697 PolarHBondContact O-SG 3.13Å; L693-C697 VanDerWaalsContact O-SG 3.35Å |
| 694 | R | 40.6 | Very low | 49.8 | Very low | 213 Ų | 213 | 95 Ų | 95 | 80% | 0.804 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -36.4 | 175.9 | -88.8 | -178.8 | 169.5 | 170.1 | -1.9 | 113.5 | T692 K698 | T692-R694 PolarHBondContact O-N 3.06Å; R694-K698 WeakPolarHBondContact O-CG 3.28Å; R694-K698 PolarHBondContact O-N 2.71Å; R694-K698 VanDerWaalsContact O-N 3.14Å |
| 695 | A | 46.9 | Very low | 49.3 | Very low | 42 Ų | 42 | 99.7 Ų | 99.7 | 35% | 0.347 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.7 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V691 T692 L693 C697 K698 L699 | V691-A695 HydrophobicContact CG1-CB 3.77Å; T692-A695 WeakPolarHBondContact O-CA 3.3Å; T692-A695 WeakPolarHBondContact O-CB 3.35Å; T692-A695 PolarHBondContact O-N 3.42Å; L693-A695 PolarHBondContact O-N 3.22Å; A695-C697 PolarHBondContact O-N 3.08Å; A695-K698 PolarHBondContact O-N 3Å; A695-L699 PolarHBondContact O-N 2.9Å |
| 696 | A | 45.8 | Very low | 48.8 | Very low | 38 Ų | 38 | 97 Ų | 97 | 31% | 0.314 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.3 | -47.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V691 T692 L693 K698 L699 H700 | V691-A696 HydrophobicContact CG1-CB 4.38Å; T692-A696 PolarHBondContact O-N 3.38Å; L693-A696 PolarHBondContact O-N 3.29Å; A696-K698 PolarHBondContact O-N 2.91Å; A696-L699 PolarHBondContact O-N 3.06Å; A696-H700 PolarHBondContact O-N 3.49Å |
| 697 | C | 42 | Very low | 48.8 | Very low | 80 Ų | 80 | 95.7 Ų | 95.7 | 54% | 0.541 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 175.6 | -68.8 | 0 | 0 | 0 | 0 | 113.1 | L693 A695 L699 H700 D701 | L693-C697 PolarHBondContact O-N 3.26Å; L693-C697 PolarHBondContact O-SG 3.13Å; L693-C697 VanDerWaalsContact O-SG 3.35Å; A695-C697 PolarHBondContact O-N 3.08Å; C697-L699 VanDerWaalsContact C-N 3.29Å; C697-L699 PolarHBondContact O-N 3.22Å; C697-H700 PolarHBondContact O-N 3.08Å; C697-D701 WeakPolarHBondContact O-CB 3.43Å; C697-D701 PolarHBondContact O-N 3.3Å |
| 698 | K | 47.5 | Very low | 49.1 | Very low | 166 Ų | 166 | 94.6 Ų | 94.6 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.3 | -33.4 | 175.4 | -79.9 | -174.6 | 174 | -173.9 | 0 | 112.6 | R694 A695 A696 S702 | R694-K698 WeakPolarHBondContact O-CG 3.28Å; R694-K698 PolarHBondContact O-N 2.71Å; R694-K698 VanDerWaalsContact O-N 3.14Å; A695-K698 PolarHBondContact O-N 3Å; A696-K698 PolarHBondContact O-N 2.91Å; K698-S702 PolarHBondContact O-N 3.01Å |
| 699 | L | 49.5 | Very low | 49.6 | Very low | 88 Ų | 88 | 97.1 Ų | 97.1 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.3 | -40 | 176.6 | -137.4 | 74 | 0 | 0 | 0 | 112.1 | A695 A696 C697 D701 S702 M703 | A695-L699 PolarHBondContact O-N 2.9Å; A696-L699 PolarHBondContact O-N 3.06Å; C697-L699 VanDerWaalsContact C-N 3.29Å; C697-L699 PolarHBondContact O-N 3.22Å; L699-D701 VanDerWaalsContact C-N 3.35Å; L699-D701 PolarHBondContact O-N 2.97Å; L699-S702 WeakPolarHBondContact O-CA 3.43Å; L699-S702 VanDerWaalsContact O-CB 3.24Å; L699-S702 WeakPolarHBondContact O-CB 3.42Å; L699-S702 PolarHBondContact O-N 3.05Å; L699-S702 PolarHBondContact O-OG 2.8Å; L699-M703 PolarHBondContact O-N 2.71Å |
| 700 | H | 51.9 | Low | 50.1 | Low | 84 Ų | 84 | 93.6 Ų | 93.6 | 39% | 0.389 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 172.7 | -100.1 | -81.1 | 0 | 0 | 0 | 112.3 | L238 A696 C697 S702 M703 F704 | L238-H700 WeakPolarHBondContact CD1-CE1 3.3Å; A696-H700 PolarHBondContact O-N 3.49Å; C697-H700 PolarHBondContact O-N 3.08Å; H700-S702 PolarHBondContact O-N 3.3Å; H700-M703 PolarHBondContact O-N 3.28Å; H700-F704 PolarHBondContact O-N 2.84Å |
| 701 | D | 49.8 | Very low | 50.7 | Low | 73 Ų | 73 | 87.1 Ų | 87.1 | 39% | 0.39 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.9 | -27.8 | 174.6 | -174.3 | 27.2 | 0 | 0 | 0 | 112 | C697 L699 R705 | C697-D701 WeakPolarHBondContact O-CB 3.43Å; C697-D701 PolarHBondContact O-N 3.3Å; L699-D701 VanDerWaalsContact C-N 3.35Å; L699-D701 PolarHBondContact O-N 2.97Å; D701-R705 WeakPolarHBondContact O-CB 3.43Å; D701-R705 WeakPolarHBondContact O-CG 3.48Å; D701-R705 PolarHBondContact O-N 2.67Å; D701-R705 PolarHBondContact O-NE 3.35Å; D701-R705 PolarHBondContact O-NH2 3.47Å; D701-R705 IonicContact OD1-CZ 3.24Å; D701-R705 VanDerWaalsContact OD1-CZ 3.25Å; D701-R705 IonicContact OD1-NE 2.71Å; D701-R705 IonicContact OD1-NH1 3.23Å; D701-R705 PolarHBondContact OD1-NH1 2.93Å; D701-R705 IonicContact OD1-NH2 3.16Å; D701-R705 PolarHBondContact OD1-NH2 2.91Å; D701-R705 IonicContact OD2-CZ 2.69Å; D701-R705 IonicContact OD2-NH1 3.18Å; D701-R705 PolarHBondContact OD2-NH1 3.27Å; D701-R705 IonicContact OD2-NH2 3.92Å; D701-R705 PolarHBondContact OD2-NH2 3.18Å |
| 702 | S | 55.3 | Low | 51.3 | Low | 26 Ų | 26 | 89.9 Ų | 89.9 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69 | -45.4 | 167.3 | 125.3 | 0 | 0 | 0 | 0 | 112.7 | K698 L699 H700 R705 K706 | K698-S702 PolarHBondContact O-N 3.01Å; L699-S702 WeakPolarHBondContact O-CA 3.43Å; L699-S702 VanDerWaalsContact O-CB 3.24Å; L699-S702 WeakPolarHBondContact O-CB 3.42Å; L699-S702 PolarHBondContact O-N 3.05Å; L699-S702 PolarHBondContact O-OG 2.8Å; H700-S702 PolarHBondContact O-N 3.3Å; S702-R705 PolarHBondContact O-N 3.3Å; S702-K706 WeakPolarHBondContact O-CB 3.38Å; S702-K706 WeakPolarHBondContact O-CD 3.33Å; S702-K706 VanDerWaalsContact O-CG 3.27Å; S702-K706 WeakPolarHBondContact O-CG 3.25Å; S702-K706 PolarHBondContact O-N 3.38Å; S702-K706 PolarHBondContact OG-NZ 3.05Å |
| 703 | M | 54.4 | Low | 51.9 | Low | 45 Ų | 45 | 86.2 Ų | 86.2 | 22% | 0.222 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 179.5 | -68.6 | -66.7 | -105.5 | 0 | 0 | 111.4 | L679 L699 H700 K706 V707 | L679-M703 HydrophobicContact CD1-CE 4.07Å; L699-M703 PolarHBondContact O-N 2.71Å; H700-M703 PolarHBondContact O-N 3.28Å; M703-K706 PolarHBondContact O-N 2.83Å; M703-V707 WeakPolarHBondContact O-CG2 3.34Å; M703-V707 PolarHBondContact O-N 3.37Å |
| 704 | F | 52.1 | Low | 52.4 | Low | 133 Ų | 133 | 79.9 Ų | 79.9 | 58% | 0.583 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.9 | -46.2 | 177.2 | -160.9 | -103.8 | 0 | 0 | 0 | 111.6 | H700 K706 V707 L708 | H700-F704 PolarHBondContact O-N 2.84Å; F704-K706 VanDerWaalsContact C-N 3.31Å; F704-K706 PolarHBondContact O-N 3.43Å; F704-V707 PolarHBondContact O-N 3.41Å; F704-L708 HydrophobicContact CD1-CD1 3.77Å; F704-L708 HydrophobicContact CD1-CG 4.42Å; F704-L708 HydrophobicContact CE1-CD1 3.83Å; F704-L708 HydrophobicContact CE1-CG 4.42Å; F704-L708 WeakPolarHBondContact O-CG 3.41Å; F704-L708 PolarHBondContact O-N 2.89Å |
| 705 | R | 55.7 | Low | 53 | Low | 136 Ų | 136 | 75.5 Ų | 75.5 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -34.8 | 172.5 | -77.7 | -174.3 | -72.7 | -108.1 | -5.3 | 113.5 | D701 S702 L708 W709 | D701-R705 WeakPolarHBondContact O-CB 3.43Å; D701-R705 WeakPolarHBondContact O-CG 3.48Å; D701-R705 PolarHBondContact O-N 2.67Å; D701-R705 PolarHBondContact O-NE 3.35Å; D701-R705 PolarHBondContact O-NH2 3.47Å; D701-R705 IonicContact OD1-CZ 3.24Å; D701-R705 VanDerWaalsContact OD1-CZ 3.25Å; D701-R705 IonicContact OD1-NE 2.71Å; D701-R705 IonicContact OD1-NH1 3.23Å; D701-R705 PolarHBondContact OD1-NH1 2.93Å; D701-R705 IonicContact OD1-NH2 3.16Å; D701-R705 PolarHBondContact OD1-NH2 2.91Å; D701-R705 IonicContact OD2-CZ 2.69Å; D701-R705 IonicContact OD2-NH1 3.18Å; D701-R705 PolarHBondContact OD2-NH1 3.27Å; D701-R705 IonicContact OD2-NH2 3.92Å; D701-R705 PolarHBondContact OD2-NH2 3.18Å; S702-R705 PolarHBondContact O-N 3.3Å; R705-L708 PolarHBondContact O-N 3.09Å; R705-W709 WeakPolarHBondContact O-CB 3.25Å; R705-W709 PolarHBondContact O-N 3.43Å |
| 706 | K | 58.8 | Low | 53.2 | Low | 75 Ų | 75 | 80.8 Ų | 80.8 | 33% | 0.326 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.8 | -36.7 | 176.3 | -73.3 | 164.2 | -179.7 | 168.5 | 0 | 112.7 | S702 M703 F704 W709 K710 | S702-K706 WeakPolarHBondContact O-CB 3.38Å; S702-K706 WeakPolarHBondContact O-CD 3.33Å; S702-K706 VanDerWaalsContact O-CG 3.27Å; S702-K706 WeakPolarHBondContact O-CG 3.25Å; S702-K706 PolarHBondContact O-N 3.38Å; S702-K706 PolarHBondContact OG-NZ 3.05Å; M703-K706 PolarHBondContact O-N 2.83Å; F704-K706 VanDerWaalsContact C-N 3.31Å; F704-K706 PolarHBondContact O-N 3.43Å; K706-W709 PolarHBondContact O-N 2.82Å; K706-K710 PolarHBondContact O-N 2.94Å |
| 707 | V | 56.5 | Low | 53.3 | Low | 27 Ų | 27 | 79.7 Ų | 79.7 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 170.6 | 172 | 0 | 0 | 0 | 0 | 110.7 | V234 M703 F704 W709 K710 I711 | V234-V707 HydrophobicContact CG1-CG2 4.46Å; V234-V707 HydrophobicContact CG2-CG2 4.02Å; M703-V707 WeakPolarHBondContact O-CG2 3.34Å; M703-V707 PolarHBondContact O-N 3.37Å; F704-V707 PolarHBondContact O-N 3.41Å; V707-W709 VanDerWaalsContact C-N 3.33Å; V707-W709 PolarHBondContact O-N 3.46Å; V707-K710 PolarHBondContact O-N 3.23Å; V707-I711 HydrophobicContact CG1-CD1 3.86Å; V707-I711 VanDerWaalsContact O-CG1 3.31Å; V707-I711 WeakPolarHBondContact O-CG1 3.34Å; V707-I711 PolarHBondContact O-N 3.36Å |
| 708 | L | 52.6 | Low | 53.7 | Low | 90 Ų | 90 | 76.9 Ų | 76.9 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 173.3 | -71.4 | 169.5 | 0 | 0 | 0 | 112.1 | F704 R705 I711 W712 | F704-L708 HydrophobicContact CD1-CD1 3.77Å; F704-L708 HydrophobicContact CD1-CG 4.42Å; F704-L708 HydrophobicContact CE1-CD1 3.83Å; F704-L708 HydrophobicContact CE1-CG 4.42Å; F704-L708 WeakPolarHBondContact O-CG 3.41Å; F704-L708 PolarHBondContact O-N 2.89Å; R705-L708 PolarHBondContact O-N 3.09Å; L708-I711 PolarHBondContact O-N 2.68Å; L708-W712 VanDerWaalsContact O-CB 3.3Å; L708-W712 WeakPolarHBondContact O-CB 3.48Å; L708-W712 PolarHBondContact O-N 2.77Å |
| 709 | W | 58.8 | Low | 53.7 | Low | 116 Ų | 116 | 71.7 Ų | 71.7 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 174.7 | -174.8 | 74.4 | 0 | 0 | 0 | 112.5 | S671 R705 K706 V707 I711 W712 T713 | S671-W709 WeakPolarHBondContact OG-CZ3 3.35Å; R705-W709 WeakPolarHBondContact O-CB 3.25Å; R705-W709 PolarHBondContact O-N 3.43Å; K706-W709 PolarHBondContact O-N 2.82Å; V707-W709 VanDerWaalsContact C-N 3.33Å; V707-W709 PolarHBondContact O-N 3.46Å; W709-I711 PolarHBondContact O-N 3.43Å; W709-W712 WeakPolarHBondContact O-CB 3.49Å; W709-W712 PolarHBondContact O-N 3.44Å; W709-T713 HydrophobicContact CD2-CG2 4.27Å; W709-T713 HydrophobicContact CZ2-CG2 4.04Å; W709-T713 PolarHBondContact O-N 3.33Å; W709-T713 PolarHBondContact O-OG1 3.31Å |
| 710 | K | 55.8 | Low | 53.6 | Low | 24 Ų | 24 | 69 Ų | 69 | 10% | 0.104 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 174.6 | -169.4 | 179.8 | -176.2 | -179.8 | 0 | 111.9 | T230 K706 V707 T713 Q714 | T230-K710 HydrophobicContact CG2-CD 4.27Å; T230-K710 PolarHBondContact OG1-NZ 3.49Å; K706-K710 PolarHBondContact O-N 2.94Å; V707-K710 PolarHBondContact O-N 3.23Å; K710-T713 PolarHBondContact O-OG1 2.82Å; K710-Q714 VanDerWaalsContact O-CB 3.24Å; K710-Q714 WeakPolarHBondContact O-CB 3.5Å; K710-Q714 PolarHBondContact O-N 3.2Å |
| 711 | I | 56.9 | Low | 53.4 | Low | 42 Ų | 42 | 68.4 Ų | 68.4 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.3 | -68.8 | 165.7 | 0 | 0 | 0 | 110.4 | I227 V707 L708 W709 Q714 Q715 | I227-I711 HydrophobicContact CD1-CG1 4.22Å; I227-I711 HydrophobicContact CD1-CG2 4.48Å; I227-I711 HydrophobicContact CG1-CG1 4.45Å; I227-I711 HydrophobicContact CG2-CG1 4.4Å; V707-I711 HydrophobicContact CG1-CD1 3.86Å; V707-I711 VanDerWaalsContact O-CG1 3.31Å; V707-I711 WeakPolarHBondContact O-CG1 3.34Å; V707-I711 PolarHBondContact O-N 3.36Å; L708-I711 PolarHBondContact O-N 2.68Å; W709-I711 PolarHBondContact O-N 3.43Å; I711-Q714 PolarHBondContact O-N 3.11Å; I711-Q715 HydrophobicContact CG2-CG 4.38Å; I711-Q715 WeakPolarHBondContact O-CB 3.4Å; I711-Q715 VanDerWaalsContact O-CG 3.31Å; I711-Q715 WeakPolarHBondContact O-CG 3.35Å; I711-Q715 PolarHBondContact O-N 3Å |
| 712 | W | 55.1 | Low | 53.2 | Low | 141 Ų | 141 | 66.1 Ų | 66.1 | 53% | 0.534 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 179.4 | -171.2 | 89.3 | 0 | 0 | 0 | 112.6 | L708 W709 R716 | L708-W712 VanDerWaalsContact O-CB 3.3Å; L708-W712 WeakPolarHBondContact O-CB 3.48Å; L708-W712 PolarHBondContact O-N 2.77Å; W709-W712 WeakPolarHBondContact O-CB 3.49Å; W709-W712 PolarHBondContact O-N 3.44Å; W712-R716 WeakPolarHBondContact O-CB 3.34Å; W712-R716 PolarHBondContact O-N 3.48Å |
| 713 | T | 56.7 | Low | 52.8 | Low | 21 Ų | 21 | 69.4 Ų | 69.4 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 173.4 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | W709 K710 Q715 R716 | W709-T713 HydrophobicContact CD2-CG2 4.27Å; W709-T713 HydrophobicContact CZ2-CG2 4.04Å; W709-T713 PolarHBondContact O-N 3.33Å; W709-T713 PolarHBondContact O-OG1 3.31Å; K710-T713 PolarHBondContact O-OG1 2.82Å; T713-Q715 VanDerWaalsContact C-N 3.31Å; T713-Q715 PolarHBondContact O-N 3.24Å; T713-R716 PolarHBondContact O-N 3.08Å |
| 714 | Q | 56.9 | Low | 52.5 | Low | 18 Ų | 18 | 70.4 Ų | 70.4 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -30.2 | 177.9 | -162.4 | 74.5 | 47.8 | 0 | 0 | 113.3 | I227 M668 K710 I711 S717 | I227-Q714 HydrophobicContact CD1-CG 4.32Å; I227-Q714 HydrophobicContact CG1-CG 4.38Å; M668-Q714 PolarHBondContact SD-NE2 3.4Å; K710-Q714 VanDerWaalsContact O-CB 3.24Å; K710-Q714 WeakPolarHBondContact O-CB 3.5Å; K710-Q714 PolarHBondContact O-N 3.2Å; I711-Q714 PolarHBondContact O-N 3.11Å; Q714-S717 PolarHBondContact O-OG 2.93Å |
| 715 | Q | 53.9 | Low | 52.2 | Low | 121 Ų | 121 | 65 Ų | 65 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -82.8 | -22.1 | 177.1 | -74 | 173.8 | -24 | 0 | 0 | 113.3 | I711 T713 | I711-Q715 HydrophobicContact CG2-CG 4.38Å; I711-Q715 WeakPolarHBondContact O-CB 3.4Å; I711-Q715 VanDerWaalsContact O-CG 3.31Å; I711-Q715 WeakPolarHBondContact O-CG 3.35Å; I711-Q715 PolarHBondContact O-N 3Å; T713-Q715 VanDerWaalsContact C-N 3.31Å; T713-Q715 PolarHBondContact O-N 3.24Å |
| 716 | R | 50.5 | Low | 51.9 | Low | 153 Ų | 153 | 59.5 Ų | 59.5 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -85 | -17.2 | -173.7 | -164.2 | 172.4 | -178.9 | 99.8 | 1.3 | 114.6 | W712 T713 P719 | W712-R716 WeakPolarHBondContact O-CB 3.34Å; W712-R716 PolarHBondContact O-N 3.48Å; T713-R716 PolarHBondContact O-N 3.08Å; R716-P719 WeakPolarHBondContact O-CD 3.28Å |
| 717 | S | 49 | Very low | 51.5 | Low | 14 Ų | 14 | 63.1 Ų | 63.1 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -71.3 | -37.5 | 171.6 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | Q714 P719 V720 | Q714-S717 PolarHBondContact O-OG 2.93Å; S717-P719 VanDerWaalsContact C-N 3.34Å; S717-P719 VanDerWaalsContact O-CD 3.26Å; S717-P719 WeakPolarHBondContact O-CD 3.48Å; S717-V720 PolarHBondContact O-N 3.28Å; S717-V720 VanDerWaalsContact O-N 3.08Å |
| 718 | A | 49.3 | Very low | 51.2 | Low | 21 Ų | 21 | 70.9 Ų | 70.9 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -29.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | N219 | N219-A718 HydrophobicContact CB-CB 3.99Å; N219-A718 PolarHBondContact ND2-O 3.19Å |
| 719 | P | 49.3 | Very low | 51.3 | Low | 57 Ų | 57 | 67.8 Ų | 67.8 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -18.9 | 178.3 | 35 | -32.7 | 0 | 0 | 0 | 115.1 | R716 S717 | R716-P719 WeakPolarHBondContact O-CD 3.28Å; S717-P719 VanDerWaalsContact C-N 3.34Å; S717-P719 VanDerWaalsContact O-CD 3.26Å; S717-P719 WeakPolarHBondContact O-CD 3.48Å |
| 720 | V | 46.2 | Very low | 51.2 | Low | 33 Ų | 33 | 62.7 Ų | 62.7 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -78.5 | -46.7 | -165.6 | -167.1 | 0 | 0 | 0 | 0 | 111.9 | F660 T661 I664 S717 L722 F723 | F660-V720 HydrophobicContact CD1-CG1 4.17Å; F660-V720 HydrophobicContact CE1-CG1 4.49Å; T661-V720 HydrophobicContact CG2-CB 4.1Å; T661-V720 HydrophobicContact CG2-CG1 3.53Å; I664-V720 HydrophobicContact CD1-CG2 4.14Å; S717-V720 PolarHBondContact O-N 3.28Å; S717-V720 VanDerWaalsContact O-N 3.08Å; V720-L722 PolarHBondContact O-N 2.67Å; V720-F723 PolarHBondContact O-N 2.95Å |
| 721 | D | 47.2 | Very low | 51.3 | Low | 70 Ų | 70 | 69 Ų | 69 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -19.9 | -172.1 | -57.3 | -56.9 | 0 | 0 | 0 | 114.4 | T661 | T661-D721 VanDerWaalsContact CB-OD1 3.24Å; T661-D721 WeakPolarHBondContact CB-OD1 3.43Å; T661-D721 WeakPolarHBondContact CG2-OD1 3.41Å |
| 722 | L | 47 | Very low | 51.8 | Low | 26 Ų | 26 | 71.6 Ų | 71.6 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -107.9 | -24.1 | -174.7 | -158.3 | 90 | 0 | 0 | 0 | 114.3 | R212 V720 L724 | R212-L722 HydrophobicContact CB-CD2 4.39Å; R212-L722 HydrophobicContact CG-CD2 4.09Å; V720-L722 PolarHBondContact O-N 2.67Å; L722-L724 PolarHBondContact O-N 2.83Å; L722-L724 VanDerWaalsContact O-N 3.14Å |
| 723 | F | 47.1 | Very low | 52.7 | Low | 95 Ų | 95 | 65 Ų | 65 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.7 | -22 | -162.8 | -159 | -95 | 0 | 0 | 0 | 114 | V720 | V720-F723 PolarHBondContact O-N 2.95Å |
| 724 | L | 46.8 | Very low | 53.5 | Low | 66 Ų | 66 | 64.1 Ų | 64.1 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -38.6 | -163.9 | -64.2 | 156.4 | 0 | 0 | 0 | 113.3 | V652 V657 L722 Q726 K727 | V652-L724 WeakPolarHBondContact O-CB 3.38Å; V657-L724 HydrophobicContact CB-CD1 4.29Å; V657-L724 HydrophobicContact CG1-CB 4.42Å; V657-L724 HydrophobicContact CG1-CD1 3.41Å; V657-L724 VanDerWaalsContact CG1-CD1 3.41Å; V657-L724 HydrophobicContact CG2-CD1 3.84Å; L722-L724 PolarHBondContact O-N 2.83Å; L722-L724 VanDerWaalsContact O-N 3.14Å; L724-Q726 PolarHBondContact O-N 3.16Å; L724-K727 PolarHBondContact O-N 2.83Å |
| 725 | C | 47.1 | Very low | 54.5 | Low | 18 Ų | 18 | 64.7 Ų | 64.7 | 12% | 0.122 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -51.1 | -52.4 | 179.1 | -170.6 | 0 | 0 | 0 | 0 | 113.9 | V652 K727 | V652-C725 HydrophobicContact CG2-CB 3.99Å; C725-K727 VanDerWaalsContact C-N 3.28Å; C725-K727 PolarHBondContact O-N 3.22Å; C725-K727 VanDerWaalsContact O-N 3.15Å |
| 726 | Q | 49.5 | Very low | 55.9 | Low | 22 Ų | 22 | 61.1 Ų | 61.1 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -73.5 | -8.4 | -169 | -73.4 | -169.9 | -38.2 | 0 | 0 | 115.5 | K208 L724 D765 | K208-Q726 HydrophobicContact CD-CB 4.44Å; K208-Q726 WeakPolarHBondContact CE-O 3.39Å; K208-Q726 PolarHBondContact NZ-O 2.82Å; L724-Q726 PolarHBondContact O-N 3.16Å; Q726-D765 PolarHBondContact NE2-OD1 3.12Å |
| 727 | K | 49.1 | Very low | 57.7 | Low | 151 Ų | 151 | 53.9 Ų | 53.9 | 66% | 0.657 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -76.2 | -37.2 | -169.1 | -100.7 | -175.8 | 177.2 | 179.2 | 0 | 114.3 | L724 C725 | L724-K727 PolarHBondContact O-N 2.83Å; C725-K727 VanDerWaalsContact C-N 3.28Å; C725-K727 PolarHBondContact O-N 3.22Å; C725-K727 VanDerWaalsContact O-N 3.15Å |
| 728 | R | 50.4 | Low | 59.5 | Low | 189 Ų | 189 | 53.3 Ų | 53.3 | 71% | 0.713 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -44.8 | -158.9 | -147.1 | 169.7 | -173.4 | 165.4 | 0.5 | 115.2 | ||
| 729 | E | 53.7 | Low | 61.2 | Low | 26 Ų | 26 | 53.2 Ų | 53.2 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.3 | -55.1 | -164.1 | -60.5 | 175.2 | 134.9 | 0 | 0 | 114.6 | A651 R731 F732 L733 | A651-E729 HydrophobicContact CB-CG 3.69Å; A651-E729 WeakPolarHBondContact CB-OE1 3.38Å; E729-R731 VanDerWaalsContact C-N 3.29Å; E729-R731 PolarHBondContact O-N 3.05Å; E729-R731 VanDerWaalsContact O-N 3.15Å; E729-F732 WeakPolarHBondContact O-CA 3.46Å; E729-F732 WeakPolarHBondContact O-CB 3.49Å; E729-F732 PolarHBondContact O-N 2.82Å; E729-L733 PolarHBondContact O-N 3.04Å |
| 730 | H | 56.8 | Low | 63.2 | Low | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -35.3 | -170.1 | 180 | -65.4 | 0 | 0 | 0 | 113.7 | I200 R204 F732 L733 S734 Q761 | I200-H730 WeakPolarHBondContact CG2-NE2 3.33Å; R204-H730 PolarHBondContact NE-CD2 3.32Å; H730-F732 VanDerWaalsContact C-N 3.31Å; H730-F732 PolarHBondContact O-N 3.48Å; H730-L733 PolarHBondContact O-N 2.71Å; H730-S734 PolarHBondContact CE1-OG 3.04Å; H730-S734 PolarHBondContact O-N 3.28Å; H730-S734 PolarHBondContact O-OG 3.12Å; H730-Q761 PolarHBondContact CD2-OE1 3.4Å |
| 731 | R | 58.7 | Low | 65.2 | Low | 158 Ų | 158 | 50.4 Ų | 50.4 | 60% | 0.596 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64 | -42.9 | 177.8 | -173.9 | 178.2 | -178.1 | -166.3 | -2 | 110.3 | E197 E729 S734 S735 | E197-R731 IonicContact OE1-CZ 2.7Å; E197-R731 VanDerWaalsContact OE1-CZ 3.25Å; E197-R731 IonicContact OE1-NE 3.34Å; E197-R731 PolarHBondContact OE1-NE 2.78Å; E197-R731 IonicContact OE1-NH2 2.71Å; E197-R731 PolarHBondContact OE1-NH2 3.07Å; E729-R731 VanDerWaalsContact C-N 3.29Å; E729-R731 PolarHBondContact O-N 3.05Å; E729-R731 VanDerWaalsContact O-N 3.15Å; R731-S734 PolarHBondContact O-N 3.12Å; R731-S734 PolarHBondContact O-OG 2.88Å; R731-S735 WeakPolarHBondContact O-CB 3.38Å; R731-S735 PolarHBondContact O-N 3.05Å; R731-S735 PolarHBondContact O-OG 3.46Å; R731-S735 VanDerWaalsContact O-OG 3.06Å |
| 732 | F | 66.5 | Low | 67.1 | Low | 95 Ų | 95 | 48 Ų | 48 | 42% | 0.417 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.7 | -163.6 | -91.2 | 0 | 0 | 0 | 111.4 | E729 H730 S734 S735 Q736 I950 | E729-F732 WeakPolarHBondContact O-CA 3.46Å; E729-F732 WeakPolarHBondContact O-CB 3.49Å; E729-F732 PolarHBondContact O-N 2.82Å; H730-F732 VanDerWaalsContact C-N 3.31Å; H730-F732 PolarHBondContact O-N 3.48Å; F732-S734 PolarHBondContact O-N 3.24Å; F732-S735 WeakPolarHBondContact CA-OG 3.09Å; F732-S735 PolarHBondContact O-N 3.23Å; F732-S735 PolarHBondContact O-OG 2.89Å; F732-S735 VanDerWaalsContact O-OG 3.12Å; F732-Q736 HydrophobicContact CD1-CG 3.66Å; F732-Q736 HydrophobicContact CE1-CG 3.47Å; F732-Q736 VanDerWaalsContact CE1-CG 3.47Å; F732-Q736 HydrophobicContact CG-CG 4.34Å; F732-Q736 HydrophobicContact CZ-CG 4.02Å; F732-Q736 VanDerWaalsContact O-CB 3.29Å; F732-Q736 WeakPolarHBondContact O-CB 3.4Å; F732-Q736 VanDerWaalsContact O-CG 3.24Å; F732-Q736 WeakPolarHBondContact O-CG 3.03Å; F732-Q736 PolarHBondContact O-N 3.07Å; F732-I950 HydrophobicContact CD1-CB 4.48Å; F732-I950 HydrophobicContact CD1-CG1 4.28Å; F732-I950 HydrophobicContact CD1-CG2 3.84Å; F732-I950 HydrophobicContact CE1-CG2 3.79Å |
| 733 | L | 74.4 | Confident | 68.8 | Low | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 174.8 | -177.3 | 69.2 | 0 | 0 | 0 | 112.1 | E729 H730 I737 F757 L946 I950 | E729-L733 PolarHBondContact O-N 3.04Å; H730-L733 PolarHBondContact O-N 2.71Å; L733-I737 HydrophobicContact CD1-CD1 3.72Å; L733-I737 HydrophobicContact CD1-CG1 4.5Å; L733-I737 HydrophobicContact CG-CD1 4.11Å; L733-I737 WeakPolarHBondContact O-CB 3.49Å; L733-I737 PolarHBondContact O-N 3.01Å; L733-I737 VanDerWaalsContact O-N 3.1Å; L733-F757 HydrophobicContact CD2-CD1 4.24Å; L733-F757 HydrophobicContact CD2-CE1 3.86Å; L733-F757 HydrophobicContact CD2-CZ 4.25Å; L733-F757 HydrophobicContact CG-CE1 3.95Å; L733-F757 HydrophobicContact CG-CZ 3.98Å; L733-L946 HydrophobicContact CD2-CD2 3.88Å; L733-I950 HydrophobicContact CB-CD1 4.34Å; L733-I950 HydrophobicContact CB-CG1 4.29Å; L733-I950 HydrophobicContact CD1-CD1 4.39Å; L733-I950 HydrophobicContact CD1-CG1 3.89Å |
| 734 | S | 73.8 | Confident | 70.7 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -40.1 | 178.1 | 51.3 | 0 | 0 | 0 | 0 | 113 | H730 R731 F732 L738 | H730-S734 PolarHBondContact CE1-OG 3.04Å; H730-S734 PolarHBondContact O-N 3.28Å; H730-S734 PolarHBondContact O-OG 3.12Å; R731-S734 PolarHBondContact O-N 3.12Å; R731-S734 PolarHBondContact O-OG 2.88Å; F732-S734 PolarHBondContact O-N 3.24Å; S734-L738 WeakPolarHBondContact O-CB 3.44Å; S734-L738 VanDerWaalsContact O-CG 3.31Å; S734-L738 WeakPolarHBondContact O-CG 3.46Å; S734-L738 PolarHBondContact O-N 3.39Å; S734-L738 VanDerWaalsContact O-N 3.15Å |
| 735 | S | 78.6 | Confident | 72.4 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.9 | -39.3 | 179.3 | 61.2 | 0 | 0 | 0 | 0 | 112.2 | R731 F732 A739 | R731-S735 WeakPolarHBondContact O-CB 3.38Å; R731-S735 PolarHBondContact O-N 3.05Å; R731-S735 PolarHBondContact O-OG 3.46Å; R731-S735 VanDerWaalsContact O-OG 3.06Å; F732-S735 WeakPolarHBondContact CA-OG 3.09Å; F732-S735 PolarHBondContact O-N 3.23Å; F732-S735 PolarHBondContact O-OG 2.89Å; F732-S735 VanDerWaalsContact O-OG 3.12Å; S735-A739 WeakPolarHBondContact O-CB 3.39Å; S735-A739 PolarHBondContact O-N 2.82Å |
| 736 | Q | 83.1 | Confident | 73.8 | Confident | 45 Ų | 45 | 46.2 Ų | 46.2 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -45.5 | 177.2 | -74 | -64.8 | -4.5 | 0 | 0 | 111.7 | F732 A739 S740 | F732-Q736 HydrophobicContact CD1-CG 3.66Å; F732-Q736 HydrophobicContact CE1-CG 3.47Å; F732-Q736 VanDerWaalsContact CE1-CG 3.47Å; F732-Q736 HydrophobicContact CG-CG 4.34Å; F732-Q736 HydrophobicContact CZ-CG 4.02Å; F732-Q736 VanDerWaalsContact O-CB 3.29Å; F732-Q736 WeakPolarHBondContact O-CB 3.4Å; F732-Q736 VanDerWaalsContact O-CG 3.24Å; F732-Q736 WeakPolarHBondContact O-CG 3.03Å; F732-Q736 PolarHBondContact O-N 3.07Å; Q736-A739 CarbonylContact O-C 3.57Å; Q736-A739 WeakPolarHBondContact O-CA 3.06Å; Q736-A739 PolarHBondContact O-N 3.38Å; Q736-A739 VanDerWaalsContact O-N 3.1Å; Q736-S740 PolarHBondContact O-N 3.49Å; Q736-S740 PolarHBondContact O-OG 3.26Å |
| 737 | I | 87.3 | Confident | 75 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | 179.4 | -72.3 | 171.3 | 0 | 0 | 0 | 111 | M177 L733 A739 S740 F744 F745 I753 F757 Y949 | M177-I737 HydrophobicContact CE-CG2 4.48Å; L733-I737 HydrophobicContact CD1-CD1 3.72Å; L733-I737 HydrophobicContact CD1-CG1 4.5Å; L733-I737 HydrophobicContact CG-CD1 4.11Å; L733-I737 WeakPolarHBondContact O-CB 3.49Å; L733-I737 PolarHBondContact O-N 3.01Å; L733-I737 VanDerWaalsContact O-N 3.1Å; I737-A739 PolarHBondContact O-N 3.31Å; I737-S740 WeakPolarHBondContact O-CB 3.29Å; I737-S740 PolarHBondContact O-N 3Å; I737-S740 VanDerWaalsContact O-N 3.14Å; I737-F744 HydrophobicContact CG2-CE1 4.32Å; I737-F745 HydrophobicContact CG2-CE1 4.12Å; I737-F745 HydrophobicContact CG2-CZ 4.08Å; I737-F745 VanDerWaalsContact O-CZ 3.23Å; I737-F745 WeakPolarHBondContact O-CZ 3.5Å; I737-I753 HydrophobicContact CD1-CG2 4.25Å; I737-I753 HydrophobicContact CG2-CG2 4.21Å; I737-F757 HydrophobicContact CB-CE2 4.48Å; I737-F757 HydrophobicContact CB-CZ 4.41Å; I737-F757 HydrophobicContact CD1-CE2 3.53Å; I737-F757 HydrophobicContact CD1-CZ 3.72Å; I737-F757 HydrophobicContact CG2-CE2 4.29Å; I737-Y949 HydrophobicContact CD1-CD1 4.13Å |
| 738 | L | 87.1 | Confident | 76.2 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -28.1 | 172.8 | -72.8 | 172.4 | 0 | 0 | 0 | 113.2 | I180 I184 K188 E193 E197 S734 | I180-L738 HydrophobicContact CG2-CD2 3.78Å; I184-L738 HydrophobicContact CD1-CD2 4.18Å; K188-L738 PolarHBondContact NZ-O 3.48Å; E193-L738 HydrophobicContact CB-CB 4.43Å; E197-L738 HydrophobicContact CB-CD1 4.14Å; S734-L738 WeakPolarHBondContact O-CB 3.44Å; S734-L738 VanDerWaalsContact O-CG 3.31Å; S734-L738 WeakPolarHBondContact O-CG 3.46Å; S734-L738 PolarHBondContact O-N 3.39Å; S734-L738 VanDerWaalsContact O-N 3.15Å |
| 739 | A | 86.4 | Confident | 77.4 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 1.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | S735 Q736 I737 E956 | S735-A739 WeakPolarHBondContact O-CB 3.39Å; S735-A739 PolarHBondContact O-N 2.82Å; Q736-A739 CarbonylContact O-C 3.57Å; Q736-A739 WeakPolarHBondContact O-CA 3.06Å; Q736-A739 PolarHBondContact O-N 3.38Å; Q736-A739 VanDerWaalsContact O-N 3.1Å; I737-A739 PolarHBondContact O-N 3.31Å; A739-E956 VanDerWaalsContact O-CB 3.23Å; A739-E956 WeakPolarHBondContact O-CB 3.45Å; A739-E956 PolarHBondContact O-N 2.83Å |
| 740 | S | 89.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -73.3 | 146.5 | 172.4 | -65.3 | 0 | 0 | 0 | 0 | 110.8 | K188 Q736 I737 | K188-S740 WeakPolarHBondContact CE-O 3.45Å; K188-S740 PolarHBondContact NZ-O 3.27Å; Q736-S740 PolarHBondContact O-N 3.49Å; Q736-S740 PolarHBondContact O-OG 3.26Å; I737-S740 WeakPolarHBondContact O-CB 3.29Å; I737-S740 PolarHBondContact O-N 3Å; I737-S740 VanDerWaalsContact O-N 3.14Å |
| 741 | P | 89.6 | Confident | 79 | Confident | 31 Ų | 31 | 40.1 Ų | 40.1 | 20% | 0.201 | 23% | 0.225 | C | C | . | . | trans | -70.1 | 163.6 | 176.8 | 30.5 | -37.1 | 0 | 0 | 0 | 112.5 | S743 F744 K954 E956 | P741-S743 VanDerWaalsContact C-N 3.28Å; P741-S743 PolarHBondContact O-N 3.39Å; P741-F744 WeakPolarHBondContact O-CB 3.27Å; P741-F744 PolarHBondContact O-N 3.28Å; P741-F744 VanDerWaalsContact O-N 3.12Å; P741-K954 WeakPolarHBondContact CD-O 3.49Å; P741-E956 HydrophobicContact CB-CG 4.41Å | ||
| 742 | M | 86.6 | Confident | 79.8 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.9 | -40.5 | -179.7 | -78.4 | -57.1 | -55.7 | 0 | 0 | 113.3 | I184 K185 K188 F744 F745 D746 L1026 | I184-M742 HydrophobicContact CG2-CE 4.3Å; I184-M742 HydrophobicContact CG2-SD 4.29Å; K185-M742 HydrophobicContact CB-CE 4.14Å; K185-M742 HydrophobicContact CB-SD 4.49Å; K188-M742 HydrophobicContact CD-CG 4.34Å; K188-M742 HydrophobicContact CD-SD 3.98Å; M742-F744 PolarHBondContact O-N 3.15Å; M742-F745 WeakPolarHBondContact O-CA 3.32Å; M742-F745 WeakPolarHBondContact O-CB 3.42Å; M742-F745 PolarHBondContact O-N 3.3Å; M742-D746 VanDerWaalsContact C-OD2 3.26Å; M742-D746 PolarHBondContact O-N 2.95Å; M742-L1026 HydrophobicContact CG-CB 4.05Å; M742-L1026 HydrophobicContact CG-CD1 4.35Å; M742-L1026 HydrophobicContact CG-CD2 4.26Å; M742-L1026 HydrophobicContact CG-CG 4.47Å |
| 743 | S | 83.3 | Confident | 80.7 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 30% | 0.301 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.2 | -21 | -179.8 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | P741 D746 T747 | P741-S743 VanDerWaalsContact C-N 3.28Å; P741-S743 PolarHBondContact O-N 3.39Å; S743-D746 PolarHBondContact N-OD2 2.79Å; S743-T747 WeakPolarHBondContact O-CB 3.33Å; S743-T747 VanDerWaalsContact O-CG2 3.25Å; S743-T747 WeakPolarHBondContact O-CG2 3.29Å; S743-T747 PolarHBondContact O-N 2.86Å; S743-T747 PolarHBondContact O-OG1 3.39Å |
| 744 | F | 85.5 | Confident | 81.1 | Confident | 31 Ų | 31 | 33.1 Ų | 33.1 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.7 | -40.1 | 170.1 | 161.8 | -97 | 0 | 0 | 0 | 112.2 | I737 P741 M742 T747 T748 I753 Y949 | I737-F744 HydrophobicContact CG2-CE1 4.32Å; P741-F744 WeakPolarHBondContact O-CB 3.27Å; P741-F744 PolarHBondContact O-N 3.28Å; P741-F744 VanDerWaalsContact O-N 3.12Å; M742-F744 PolarHBondContact O-N 3.15Å; F744-T747 PolarHBondContact O-N 3.19Å; F744-T747 PolarHBondContact O-OG1 3.34Å; F744-T748 HydrophobicContact CE2-CG2 4.48Å; F744-T748 WeakPolarHBondContact O-CB 3.25Å; F744-T748 PolarHBondContact O-N 2.88Å; F744-T748 PolarHBondContact O-OG1 2.89Å; F744-I753 HydrophobicContact CE1-CD1 3.88Å; F744-I753 HydrophobicContact CZ-CD1 4.17Å; F744-Y949 HydrophobicContact CE2-CD1 4.17Å; F744-Y949 AromaticContact CE2-CE1 3.9Å; F744-Y949 HydrophobicContact CE2-CE1 3.9Å; F744-Y949 AromaticContact CZ-CD1 3.89Å; F744-Y949 HydrophobicContact CZ-CD1 3.89Å; F744-Y949 AromaticContact CZ-CE1 3.69Å; F744-Y949 HydrophobicContact CZ-CE1 3.69Å |
| 745 | F | 84 | Confident | 81.5 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.1 | -40.7 | 175.5 | -63.6 | -78.8 | 0 | 0 | 0 | 111.1 | L181 I184 I737 M742 T747 T748 I753 | L181-F745 HydrophobicContact CD2-CD1 4.17Å; L181-F745 HydrophobicContact CD2-CE1 3.69Å; I184-F745 HydrophobicContact CD1-CZ 4.24Å; I184-F745 HydrophobicContact CG1-CD1 4.43Å; I184-F745 HydrophobicContact CG1-CD2 4.12Å; I184-F745 HydrophobicContact CG1-CE1 4.14Å; I184-F745 HydrophobicContact CG1-CE2 3.8Å; I184-F745 HydrophobicContact CG1-CG 4.42Å; I184-F745 HydrophobicContact CG1-CZ 3.79Å; I184-F745 HydrophobicContact CG2-CB 4.25Å; I184-F745 HydrophobicContact CG2-CD1 4.17Å; I184-F745 HydrophobicContact CG2-CD2 4.32Å; I184-F745 HydrophobicContact CG2-CG 3.98Å; I737-F745 HydrophobicContact CG2-CE1 4.12Å; I737-F745 HydrophobicContact CG2-CZ 4.08Å; I737-F745 VanDerWaalsContact O-CZ 3.23Å; I737-F745 WeakPolarHBondContact O-CZ 3.5Å; M742-F745 WeakPolarHBondContact O-CA 3.32Å; M742-F745 WeakPolarHBondContact O-CB 3.42Å; M742-F745 PolarHBondContact O-N 3.3Å; F745-T747 PolarHBondContact O-N 3.46Å; F745-T747 VanDerWaalsContact O-N 3.14Å; F745-T748 PolarHBondContact O-N 3.29Å; F745-I753 HydrophobicContact CD1-CD1 3.85Å; F745-I753 HydrophobicContact CE1-CD1 4.06Å |
| 746 | D | 75.9 | Confident | 81.8 | Confident | 74 Ų | 74 | 35.7 Ų | 35.7 | 40% | 0.396 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11 | 177.2 | -48.2 | -32.9 | 0 | 0 | 0 | 113.6 | M742 S743 R986 | M742-D746 VanDerWaalsContact C-OD2 3.26Å; M742-D746 PolarHBondContact O-N 2.95Å; S743-D746 PolarHBondContact N-OD2 2.79Å; D746-R986 PolarHBondContact O-NH2 3.03Å; D746-R986 VanDerWaalsContact O-NH2 3.08Å |
| 747 | T | 73.9 | Confident | 81.8 | Confident | 77 Ų | 77 | 33.5 Ų | 33.5 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -16 | 177.1 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | S743 F744 F745 R986 | S743-T747 WeakPolarHBondContact O-CB 3.33Å; S743-T747 VanDerWaalsContact O-CG2 3.25Å; S743-T747 WeakPolarHBondContact O-CG2 3.29Å; S743-T747 PolarHBondContact O-N 2.86Å; S743-T747 PolarHBondContact O-OG1 3.39Å; F744-T747 PolarHBondContact O-N 3.19Å; F744-T747 PolarHBondContact O-OG1 3.34Å; F745-T747 PolarHBondContact O-N 3.46Å; F745-T747 VanDerWaalsContact O-N 3.14Å; T747-R986 VanDerWaalsContact CG2-CZ 3.48Å |
| 748 | T | 75.6 | Confident | 81.8 | Confident | 17 Ų | 17 | 34.8 Ų | 34.8 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -117.2 | 105.2 | -174.6 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | F744 F745 T750 R752 I753 Y949 | F744-T748 HydrophobicContact CE2-CG2 4.48Å; F744-T748 WeakPolarHBondContact O-CB 3.25Å; F744-T748 PolarHBondContact O-N 2.88Å; F744-T748 PolarHBondContact O-OG1 2.89Å; F745-T748 PolarHBondContact O-N 3.29Å; T748-T750 PolarHBondContact O-N 3.25Å; T748-R752 HydrophobicContact CG2-CB 4.49Å; T748-R752 HydrophobicContact CG2-CG 4.49Å; T748-I753 HydrophobicContact CG2-CD1 4.03Å; T748-I753 HydrophobicContact CG2-CG1 3.65Å; T748-Y949 HydrophobicContact CG2-CE1 4.32Å; T748-Y949 WeakPolarHBondContact CG2-OH 3.39Å |
| 749 | P | 74.8 | Confident | 81.5 | Confident | 71 Ų | 71 | 39.7 Ų | 39.7 | 46% | 0.461 | 23% | 0.23 | S | C | . | . | trans | -50.8 | 131.5 | -178.1 | -29.4 | 35.2 | 0 | 0 | 0 | 112.4 | G751 R752 I753 | P749-G751 PolarHBondContact O-N 3.46Å; P749-G751 VanDerWaalsContact O-N 3.13Å; P749-R752 WeakPolarHBondContact O-CA 3.3Å; P749-R752 VanDerWaalsContact O-CB 3.26Å; P749-R752 WeakPolarHBondContact O-CB 3.31Å; P749-R752 PolarHBondContact O-N 2.98Å; P749-I753 PolarHBondContact O-N 2.84Å | ||
| 750 | T | 73.8 | Confident | 81.4 | Confident | 58 Ų | 58 | 39 Ų | 39 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53.2 | -39.6 | -174.9 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | L181 T748 R752 I753 L754 | L181-T750 HydrophobicContact CB-CG2 4.19Å; T748-T750 PolarHBondContact O-N 3.25Å; T750-R752 VanDerWaalsContact C-N 3.28Å; T750-R752 PolarHBondContact O-N 2.98Å; T750-I753 PolarHBondContact O-N 3.02Å; T750-L754 WeakPolarHBondContact O-CB 3.31Å; T750-L754 PolarHBondContact O-N 2.91Å |
| 751 | G | 70.7 | Confident | 81.1 | Confident | 46 Ų | 46 | 39.1 Ų | 39.1 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.4 | -29.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | P749 N755 | P749-G751 PolarHBondContact O-N 3.46Å; P749-G751 VanDerWaalsContact O-N 3.13Å; G751-N755 VanDerWaalsContact O-CB 3.25Å; G751-N755 WeakPolarHBondContact O-CB 3.42Å; G751-N755 PolarHBondContact O-N 2.89Å |
| 752 | R | 76.1 | Confident | 80.8 | Confident | 74 Ų | 74 | 41.7 Ų | 41.7 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.2 | -41.4 | 172.9 | -177.8 | 177.1 | -72.6 | -171 | -3.1 | 110.8 | K631 T748 P749 T750 R756 Y949 | K631-R752 PolarHBondContact O-NH2 3.49Å; T748-R752 HydrophobicContact CG2-CB 4.49Å; T748-R752 HydrophobicContact CG2-CG 4.49Å; P749-R752 WeakPolarHBondContact O-CA 3.3Å; P749-R752 VanDerWaalsContact O-CB 3.26Å; P749-R752 WeakPolarHBondContact O-CB 3.31Å; P749-R752 PolarHBondContact O-N 2.98Å; T750-R752 VanDerWaalsContact C-N 3.28Å; T750-R752 PolarHBondContact O-N 2.98Å; R752-R756 PolarHBondContact O-N 3.49Å; R752-Y949 WeakPolarHBondContact CD-OH 3.3Å |
| 753 | I | 84.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.5 | -44.6 | 176.8 | -51.3 | 176.2 | 0 | 0 | 0 | 110.1 | L181 I737 F744 F745 T748 P749 T750 N755 R756 F757 | L181-I753 HydrophobicContact CD1-CB 4Å; L181-I753 HydrophobicContact CD1-CG2 3.98Å; L181-I753 HydrophobicContact CD2-CB 4.3Å; L181-I753 HydrophobicContact CD2-CD1 4.11Å; L181-I753 HydrophobicContact CD2-CG2 3.9Å; I737-I753 HydrophobicContact CD1-CG2 4.25Å; I737-I753 HydrophobicContact CG2-CG2 4.21Å; F744-I753 HydrophobicContact CE1-CD1 3.88Å; F744-I753 HydrophobicContact CZ-CD1 4.17Å; F745-I753 HydrophobicContact CD1-CD1 3.85Å; F745-I753 HydrophobicContact CE1-CD1 4.06Å; T748-I753 HydrophobicContact CG2-CD1 4.03Å; T748-I753 HydrophobicContact CG2-CG1 3.65Å; P749-I753 PolarHBondContact O-N 2.84Å; T750-I753 PolarHBondContact O-N 3.02Å; I753-N755 VanDerWaalsContact C-N 3.33Å; I753-N755 PolarHBondContact O-N 3.46Å; I753-R756 WeakPolarHBondContact O-CB 3.3Å; I753-R756 PolarHBondContact O-N 2.97Å; I753-R756 VanDerWaalsContact O-N 3.08Å; I753-F757 HydrophobicContact CG2-CD2 4.12Å; I753-F757 HydrophobicContact CG2-CE2 3.99Å; I753-F757 PolarHBondContact O-N 3.23Å |
| 754 | L | 82.5 | Confident | 80.6 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 18% | 0.183 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 177.4 | -165.7 | 71 | 0 | 0 | 0 | 111.9 | V174 M177 N178 L181 T750 R756 F757 A758 | V174-L754 HydrophobicContact CG1-CD1 3.84Å; V174-L754 HydrophobicContact CG1-CG 4.15Å; M177-L754 HydrophobicContact CB-CD1 4.3Å; M177-L754 HydrophobicContact CG-CD1 4.46Å; N178-L754 HydrophobicContact CB-CD1 3.97Å; N178-L754 HydrophobicContact CB-CD2 4.37Å; L181-L754 HydrophobicContact CD1-CB 4.33Å; L181-L754 HydrophobicContact CD1-CD1 4.36Å; T750-L754 WeakPolarHBondContact O-CB 3.31Å; T750-L754 PolarHBondContact O-N 2.91Å; L754-R756 PolarHBondContact O-N 2.86Å; L754-F757 PolarHBondContact O-N 3.38Å; L754-F757 VanDerWaalsContact O-N 3.14Å; L754-A758 WeakPolarHBondContact O-CB 3.43Å; L754-A758 PolarHBondContact O-N 3.33Å |
| 755 | N | 81.7 | Confident | 80.3 | Confident | 67 Ų | 67 | 39.8 Ų | 39.8 | 36% | 0.358 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.1 | -27.7 | 176 | -172.6 | 44 | 0 | 0 | 0 | 113.2 | G751 I753 K759 D760 | G751-N755 VanDerWaalsContact O-CB 3.25Å; G751-N755 WeakPolarHBondContact O-CB 3.42Å; G751-N755 PolarHBondContact O-N 2.89Å; I753-N755 VanDerWaalsContact C-N 3.33Å; I753-N755 PolarHBondContact O-N 3.46Å; N755-K759 PolarHBondContact O-N 3.06Å; N755-K759 VanDerWaalsContact O-N 3.08Å; N755-K759 VanDerWaalsContact OD1-CB 3.31Å; N755-K759 WeakPolarHBondContact OD1-CB 3.45Å; N755-D760 PolarHBondContact O-N 2.98Å; N755-D760 VanDerWaalsContact O-N 3.07Å |
| 756 | R | 85.1 | Confident | 79.9 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -67.3 | -49.8 | 169.8 | -63.1 | -73 | -179.7 | -88.6 | -7.8 | 111.2 | R752 I753 L754 A758 D760 Q761 R945 L946 | R752-R756 PolarHBondContact O-N 3.49Å; I753-R756 WeakPolarHBondContact O-CB 3.3Å; I753-R756 PolarHBondContact O-N 2.97Å; I753-R756 VanDerWaalsContact O-N 3.08Å; L754-R756 PolarHBondContact O-N 2.86Å; R756-A758 PolarHBondContact O-N 3.06Å; R756-D760 WeakPolarHBondContact CD-OD2 3.31Å; R756-D760 IonicContact CZ-OD2 2.83Å; R756-D760 IonicContact NE-OD2 3.33Å; R756-D760 IonicContact NH1-OD2 3.64Å; R756-D760 PolarHBondContact NH1-OD2 3.49Å; R756-Q761 WeakPolarHBondContact O-CB 3.48Å; R756-Q761 PolarHBondContact O-N 3.29Å; R756-Q761 VanDerWaalsContact O-N 3.14Å; R756-R945 WeakPolarHBondContact CD-O 3.35Å; R756-R945 PolarHBondContact NE-O 3.4Å; R756-L946 HydrophobicContact CB-CD2 3.93Å |
| 757 | F | 84.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -72.6 | -22.7 | -178.6 | -79 | -71.7 | 0 | 0 | 0 | 115.1 | R173 M177 L733 I737 I753 L754 | R173-F757 PolarHBondContact NH1-O 2.84Å; R173-F757 PolarHBondContact NH2-O 3.49Å; M177-F757 HydrophobicContact CE-CD2 3.99Å; M177-F757 HydrophobicContact CE-CE2 3.55Å; M177-F757 HydrophobicContact CE-CZ 4.05Å; M177-F757 HydrophobicContact CG-CB 4.29Å; M177-F757 HydrophobicContact CG-CD2 3.85Å; M177-F757 HydrophobicContact CG-CE2 4.35Å; M177-F757 HydrophobicContact CG-CG 4.05Å; M177-F757 HydrophobicContact SD-CD1 4.45Å; M177-F757 HydrophobicContact SD-CD2 3.99Å; M177-F757 HydrophobicContact SD-CE1 4.39Å; M177-F757 HydrophobicContact SD-CE2 3.91Å; M177-F757 HydrophobicContact SD-CG 4.26Å; M177-F757 HydrophobicContact SD-CZ 4.12Å; L733-F757 HydrophobicContact CD2-CD1 4.24Å; L733-F757 HydrophobicContact CD2-CE1 3.86Å; L733-F757 HydrophobicContact CD2-CZ 4.25Å; L733-F757 HydrophobicContact CG-CE1 3.95Å; L733-F757 HydrophobicContact CG-CZ 3.98Å; I737-F757 HydrophobicContact CB-CE2 4.48Å; I737-F757 HydrophobicContact CB-CZ 4.41Å; I737-F757 HydrophobicContact CD1-CE2 3.53Å; I737-F757 HydrophobicContact CD1-CZ 3.72Å; I737-F757 HydrophobicContact CG2-CE2 4.29Å; I753-F757 HydrophobicContact CG2-CD2 4.12Å; I753-F757 HydrophobicContact CG2-CE2 3.99Å; I753-F757 PolarHBondContact O-N 3.23Å; L754-F757 PolarHBondContact O-N 3.38Å; L754-F757 VanDerWaalsContact O-N 3.14Å |
| 758 | A | 85.6 | Confident | 80.6 | Confident | 28 Ų | 28 | 34.5 Ų | 34.5 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -94.1 | -85.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V174 L754 R756 E762 | V174-A758 HydrophobicContact CG1-CB 4.04Å; V174-A758 HydrophobicContact CG2-CB 3.79Å; L754-A758 WeakPolarHBondContact O-CB 3.43Å; L754-A758 PolarHBondContact O-N 3.33Å; R756-A758 PolarHBondContact O-N 3.06Å; A758-E762 PolarHBondContact O-N 3.12Å |
| 759 | K | 81.5 | Confident | 80.8 | Confident | 105 Ų | 105 | 36.1 Ų | 36.1 | 46% | 0.457 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -70.7 | -52.6 | -166.7 | -170.8 | -174.1 | 175 | -169 | 0 | 113.3 | N755 Q761 E762 E763 | N755-K759 PolarHBondContact O-N 3.06Å; N755-K759 VanDerWaalsContact O-N 3.08Å; N755-K759 VanDerWaalsContact OD1-CB 3.31Å; N755-K759 WeakPolarHBondContact OD1-CB 3.45Å; K759-Q761 PolarHBondContact O-N 3.09Å; K759-E762 PolarHBondContact O-N 3.4Å; K759-E763 VanDerWaalsContact CE-OE1 3.28Å; K759-E763 WeakPolarHBondContact CE-OE1 3.43Å; K759-E763 HydrophobicContact CG-CG 4.17Å; K759-E763 IonicContact NZ-OE1 2.65Å; K759-E763 WeakPolarHBondContact O-CG 3.4Å; K759-E763 PolarHBondContact O-N 3.43Å |
| 760 | D | 85.1 | Confident | 80.8 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -64.1 | -30.3 | -175.5 | -63.5 | -45.7 | 0 | 0 | 0 | 111.1 | N755 R756 L764 S942 R945 L946 | N755-D760 PolarHBondContact O-N 2.98Å; N755-D760 VanDerWaalsContact O-N 3.07Å; R756-D760 WeakPolarHBondContact CD-OD2 3.31Å; R756-D760 IonicContact CZ-OD2 2.83Å; R756-D760 IonicContact NE-OD2 3.33Å; R756-D760 IonicContact NH1-OD2 3.64Å; R756-D760 PolarHBondContact NH1-OD2 3.49Å; D760-L764 PolarHBondContact O-N 3.43Å; D760-L764 VanDerWaalsContact O-N 3.14Å; D760-S942 PolarHBondContact OD1-OG 3.45Å; D760-R945 IonicContact OD1-CZ 2.77Å; D760-R945 IonicContact OD1-NH1 2.79Å; D760-R945 PolarHBondContact OD1-NH1 3.45Å; D760-R945 IonicContact OD1-NH2 3.79Å; D760-R945 PolarHBondContact OD1-NH2 3.44Å; D760-R945 IonicContact OD2-CZ 3.25Å; D760-R945 IonicContact OD2-NH1 3.63Å; D760-R945 PolarHBondContact OD2-NH1 2.87Å; D760-L946 HydrophobicContact CB-CD1 4.35Å; D760-L946 HydrophobicContact CB-CD2 4.26Å; D760-L946 HydrophobicContact CB-CG 4.25Å |
| 761 | Q | 83.4 | Confident | 81.3 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.7 | -39 | 170.5 | -176.2 | 62.2 | 82.1 | 0 | 0 | 113.6 | H730 R756 K759 D765 | H730-Q761 PolarHBondContact CD2-OE1 3.4Å; R756-Q761 WeakPolarHBondContact O-CB 3.48Å; R756-Q761 PolarHBondContact O-N 3.29Å; R756-Q761 VanDerWaalsContact O-N 3.14Å; K759-Q761 PolarHBondContact O-N 3.09Å; Q761-D765 PolarHBondContact NE2-OD2 3.19Å; Q761-D765 WeakPolarHBondContact O-CB 3.49Å; Q761-D765 PolarHBondContact O-N 3.24Å |
| 762 | E | 83.3 | Confident | 81.8 | Confident | 85 Ų | 85 | 35.3 Ų | 35.3 | 40% | 0.397 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 173.6 | -177.6 | -176 | -170.1 | 0 | 0 | 112 | A758 K759 L764 D765 S766 | A758-E762 PolarHBondContact O-N 3.12Å; K759-E762 PolarHBondContact O-N 3.4Å; E762-L764 VanDerWaalsContact C-N 3.34Å; E762-D765 PolarHBondContact O-N 3.01Å; E762-S766 PolarHBondContact O-N 3.44Å; E762-S766 PolarHBondContact O-OG 3.06Å |
| 763 | E | 82.8 | Confident | 81.8 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -59.5 | -45.5 | 175.9 | -65.2 | -87.4 | -165 | 0 | 0 | 110 | K759 V767 L768 R939 | K759-E763 VanDerWaalsContact CE-OE1 3.28Å; K759-E763 WeakPolarHBondContact CE-OE1 3.43Å; K759-E763 HydrophobicContact CG-CG 4.17Å; K759-E763 IonicContact NZ-OE1 2.65Å; K759-E763 WeakPolarHBondContact O-CG 3.4Å; K759-E763 PolarHBondContact O-N 3.43Å; E763-V767 PolarHBondContact O-N 3.43Å; E763-L768 WeakPolarHBondContact O-CB 3.34Å; E763-L768 PolarHBondContact O-N 3.33Å; E763-R939 VanDerWaalsContact CD-NH1 3.31Å; E763-R939 IonicContact OE1-NH1 2.91Å; E763-R939 PolarHBondContact OE1-NH1 3.03Å; E763-R939 VanDerWaalsContact OE1-NH1 3.15Å; E763-R939 WeakPolarHBondContact OE2-CD 3.46Å; E763-R939 IonicContact OE2-CZ 2.87Å; E763-R939 IonicContact OE2-NE 3.28Å; E763-R939 IonicContact OE2-NH1 2.67Å; E763-R939 PolarHBondContact OE2-NH1 3.34Å |
| 764 | L | 83.3 | Confident | 81.6 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -63.4 | -51.1 | 172.7 | 178.8 | 79.1 | 0 | 0 | 0 | 112.8 | Y648 D760 E762 S766 L768 P769 V943 L946 | Y648-L764 HydrophobicContact CD2-CD1 4.46Å; Y648-L764 HydrophobicContact CE2-CD1 4.02Å; D760-L764 PolarHBondContact O-N 3.43Å; D760-L764 VanDerWaalsContact O-N 3.14Å; E762-L764 VanDerWaalsContact C-N 3.34Å; L764-S766 PolarHBondContact O-N 3.44Å; L764-L768 HydrophobicContact CD1-CD2 4.27Å; L764-P769 WeakPolarHBondContact O-CD 3.49Å; L764-V943 HydrophobicContact CD1-CG1 4.31Å; L764-V943 HydrophobicContact CD1-CG2 3.77Å; L764-L946 HydrophobicContact CB-CD1 4.49Å; L764-L946 HydrophobicContact CD2-CD1 4.2Å |
| 765 | D | 78.6 | Confident | 81.7 | Confident | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.102 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -71.4 | -28.8 | -172.1 | -85 | -46.2 | 0 | 0 | 0 | 114.1 | R204 Q726 Q761 E762 | R204-D765 IonicContact CZ-OD2 3.24Å; R204-D765 IonicContact NH1-OD2 3.09Å; R204-D765 PolarHBondContact NH1-OD2 3.44Å; R204-D765 IonicContact NH2-OD1 3.59Å; R204-D765 PolarHBondContact NH2-OD1 3.15Å; R204-D765 IonicContact NH2-OD2 3.31Å; R204-D765 PolarHBondContact NH2-OD2 3.17Å; Q726-D765 PolarHBondContact NE2-OD1 3.12Å; Q761-D765 PolarHBondContact NE2-OD2 3.19Å; Q761-D765 WeakPolarHBondContact O-CB 3.49Å; Q761-D765 PolarHBondContact O-N 3.24Å; E762-D765 PolarHBondContact O-N 3.01Å |
| 766 | S | 75.7 | Confident | 81.9 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -138.4 | -25 | -164.3 | 78.4 | 0 | 0 | 0 | 0 | 116.4 | E762 L764 | E762-S766 PolarHBondContact O-N 3.44Å; E762-S766 PolarHBondContact O-OG 3.06Å; L764-S766 PolarHBondContact O-N 3.44Å |
| 767 | V | 80.6 | Confident | 81.8 | Confident | 27 Ų | 27 | 36.7 Ų | 36.7 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -96.2 | -47.8 | -178.7 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | E763 L770 H771 R939 | E763-V767 PolarHBondContact O-N 3.43Å; V767-L770 WeakPolarHBondContact O-CB 3.38Å; V767-L770 PolarHBondContact O-N 2.96Å; V767-L770 VanDerWaalsContact O-N 3.08Å; V767-H771 PolarHBondContact O-CD2 2.88Å; V767-H771 PolarHBondContact O-N 3.43Å; V767-R939 HydrophobicContact CG1-CG 4.33Å |
| 768 | L | 83.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.1 | -47 | 179.2 | 178.3 | 67.1 | 0 | 0 | 0 | 112.5 | Y648 E763 L764 L770 H771 M772 R939 F940 V943 | Y648-L768 HydrophobicContact CE2-CD2 4.25Å; E763-L768 WeakPolarHBondContact O-CB 3.34Å; E763-L768 PolarHBondContact O-N 3.33Å; L764-L768 HydrophobicContact CD1-CD2 4.27Å; L768-L770 VanDerWaalsContact C-N 3.32Å; L768-L770 PolarHBondContact O-N 3.45Å; L768-H771 PolarHBondContact O-N 3.25Å; L768-M772 HydrophobicContact CD1-CG 3.62Å; L768-M772 HydrophobicContact CD1-SD 4.4Å; L768-M772 HydrophobicContact CG-CG 3.97Å; L768-M772 VanDerWaalsContact O-CB 3.26Å; L768-M772 WeakPolarHBondContact O-CB 3.4Å; L768-M772 VanDerWaalsContact O-CG 3.25Å; L768-M772 WeakPolarHBondContact O-CG 3.16Å; L768-M772 PolarHBondContact O-N 3.33Å; L768-R939 HydrophobicContact CB-CB 4.44Å; L768-R939 HydrophobicContact CD1-CB 4Å; L768-F940 HydrophobicContact CD1-CD2 3.98Å; L768-F940 HydrophobicContact CD1-CE2 3.81Å; L768-F940 HydrophobicContact CD1-CZ 4.32Å; L768-F940 HydrophobicContact CD2-CE1 4.4Å; L768-F940 HydrophobicContact CD2-CZ 4.26Å; L768-V943 HydrophobicContact CD2-CG2 3.95Å |
| 769 | P | 78.6 | Confident | 81.9 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 176.5 | -22.6 | 34.8 | 0 | 0 | 0 | 113.3 | L764 H771 M772 D773 | L764-P769 WeakPolarHBondContact O-CD 3.49Å; P769-H771 PolarHBondContact O-N 3Å; P769-M772 PolarHBondContact O-N 2.95Å; P769-D773 PolarHBondContact O-N 2.85Å |
| 770 | L | 76.4 | Confident | 82.2 | Confident | 80 Ų | 80 | 36.6 Ų | 36.6 | 42% | 0.419 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.1 | -25.4 | -179.1 | -179 | 64.9 | 0 | 0 | 0 | 112.9 | V767 L768 P774 | V767-L770 WeakPolarHBondContact O-CB 3.38Å; V767-L770 PolarHBondContact O-N 2.96Å; V767-L770 VanDerWaalsContact O-N 3.08Å; L768-L770 VanDerWaalsContact C-N 3.32Å; L768-L770 PolarHBondContact O-N 3.45Å; L770-P774 VanDerWaalsContact O-CD 3.28Å; L770-P774 WeakPolarHBondContact O-CD 3.41Å; L770-P774 WeakPolarHBondContact O-CG 3.44Å |
| 771 | H | 82.4 | Confident | 82.2 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -98.8 | -35 | 175.5 | -72.7 | -90.7 | 0 | 0 | 0 | 113.1 | V767 L768 P769 F775 Q932 V936 | V767-H771 PolarHBondContact O-CD2 2.88Å; V767-H771 PolarHBondContact O-N 3.43Å; L768-H771 PolarHBondContact O-N 3.25Å; P769-H771 PolarHBondContact O-N 3Å; H771-F775 VanDerWaalsContact O-CB 3.25Å; H771-F775 WeakPolarHBondContact O-CB 3.31Å; H771-F775 PolarHBondContact O-N 2.93Å; H771-Q932 PolarHBondContact ND1-OE1 3.45Å; H771-V936 HydrophobicContact CB-CG2 4.09Å |
| 772 | M | 82.2 | Confident | 82.4 | Confident | 41 Ų | 41 | 38.8 Ų | 38.8 | 20% | 0.202 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | -179.7 | -82 | -69.8 | -74.1 | 0 | 0 | 113.5 | L768 P769 F775 L776 V936 F940 | L768-M772 HydrophobicContact CD1-CG 3.62Å; L768-M772 HydrophobicContact CD1-SD 4.4Å; L768-M772 HydrophobicContact CG-CG 3.97Å; L768-M772 VanDerWaalsContact O-CB 3.26Å; L768-M772 WeakPolarHBondContact O-CB 3.4Å; L768-M772 VanDerWaalsContact O-CG 3.25Å; L768-M772 WeakPolarHBondContact O-CG 3.16Å; L768-M772 PolarHBondContact O-N 3.33Å; P769-M772 PolarHBondContact O-N 2.95Å; M772-F775 PolarHBondContact O-N 2.99Å; M772-L776 HydrophobicContact CE-CD1 4.46Å; M772-L776 WeakPolarHBondContact O-CG 3.49Å; M772-L776 PolarHBondContact O-N 3.04Å; M772-V936 HydrophobicContact CG-CG1 4.49Å; M772-V936 HydrophobicContact CG-CG2 4.16Å; M772-V936 HydrophobicContact SD-CB 4.3Å; M772-V936 HydrophobicContact SD-CG1 3.41Å; M772-V936 WeakPolarHBondContact SD-CG1 3.48Å; M772-V936 HydrophobicContact SD-CG2 3.82Å; M772-F940 HydrophobicContact CE-CE2 4.25Å; M772-F940 HydrophobicContact CE-CZ 4.45Å; M772-F940 HydrophobicContact SD-CE2 3.84Å |
| 773 | D | 77.1 | Confident | 82.6 | Confident | 57 Ų | 57 | 38 Ų | 38 | 31% | 0.305 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.2 | -53 | -178.7 | 168.2 | 58.8 | 0 | 0 | 0 | 111.8 | P769 F775 L776 Q777 | P769-D773 PolarHBondContact O-N 2.85Å; D773-F775 VanDerWaalsContact C-N 3.3Å; D773-F775 PolarHBondContact O-N 3.3Å; D773-L776 PolarHBondContact O-N 2.99Å; D773-Q777 WeakPolarHBondContact O-CB 3.49Å; D773-Q777 WeakPolarHBondContact O-CG 3.34Å; D773-Q777 PolarHBondContact O-N 3.45Å; D773-Q777 PolarHBondContact OD1-NE2 3.44Å; D773-Q777 PolarHBondContact OD2-NE2 3.47Å |
| 774 | P | 78.8 | Confident | 82.8 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.3 | -38.7 | 171.6 | -27.4 | 36.1 | 0 | 0 | 0 | 113.9 | L770 Q777 F778 Y928 | L770-P774 VanDerWaalsContact O-CD 3.28Å; L770-P774 WeakPolarHBondContact O-CD 3.41Å; L770-P774 WeakPolarHBondContact O-CG 3.44Å; P774-Q777 PolarHBondContact O-N 3.06Å; P774-F778 HydrophobicContact CB-CD2 4.36Å; P774-F778 WeakPolarHBondContact O-CB 3.22Å; P774-F778 WeakPolarHBondContact O-CD2 3.44Å; P774-F778 PolarHBondContact O-N 3.02Å; P774-Y928 HydrophobicContact CB-CE1 4.26Å |
| 775 | F | 85.9 | Confident | 82.9 | Confident | 40 Ų | 40 | 38.7 Ų | 38.7 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -51.9 | 177.6 | 170.9 | -116.2 | 0 | 0 | 0 | 111.6 | H771 M772 D773 C779 V929 Q932 V936 | H771-F775 VanDerWaalsContact O-CB 3.25Å; H771-F775 WeakPolarHBondContact O-CB 3.31Å; H771-F775 PolarHBondContact O-N 2.93Å; M772-F775 PolarHBondContact O-N 2.99Å; D773-F775 VanDerWaalsContact C-N 3.3Å; D773-F775 PolarHBondContact O-N 3.3Å; F775-C779 WeakPolarHBondContact CE2-SG 3.48Å; F775-C779 WeakPolarHBondContact O-CB 3.24Å; F775-C779 PolarHBondContact O-N 3.13Å; F775-C779 PolarHBondContact O-SG 3.32Å; F775-V929 HydrophobicContact CE2-CG1 4.29Å; F775-Q932 HydrophobicContact CB-CB 3.99Å; F775-Q932 HydrophobicContact CD2-CB 4.28Å; F775-V936 HydrophobicContact CB-CG2 4.14Å; F775-V936 HydrophobicContact CD1-CG2 4.35Å; F775-V936 HydrophobicContact CG-CG2 4.31Å |
| 776 | L | 84.1 | Confident | 83.3 | Confident | 54 Ų | 54 | 40.5 Ų | 40.5 | 28% | 0.283 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 178.1 | -68.1 | 173 | 0 | 0 | 0 | 111.8 | I665 M772 D773 C779 L780 | I665-L776 HydrophobicContact CD1-CD1 4.36Å; M772-L776 HydrophobicContact CE-CD1 4.46Å; M772-L776 WeakPolarHBondContact O-CG 3.49Å; M772-L776 PolarHBondContact O-N 3.04Å; D773-L776 PolarHBondContact O-N 2.99Å; L776-C779 PolarHBondContact O-N 3.4Å; L776-L780 WeakPolarHBondContact O-CG 3.17Å; L776-L780 PolarHBondContact O-N 3.23Å; L776-L780 VanDerWaalsContact O-N 3.08Å |
| 777 | Q | 83.4 | Confident | 83.9 | Confident | 47 Ų | 47 | 43.8 Ų | 43.8 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 178.6 | -71.8 | -176.8 | 25.7 | 0 | 0 | 112.6 | I665 M668 I669 D773 P774 L780 L781 | I665-Q777 HydrophobicContact CG2-CG 4.42Å; M668-Q777 HydrophobicContact CE-CG 4.2Å; I669-Q777 HydrophobicContact CD1-CB 4.21Å; I669-Q777 HydrophobicContact CD1-CG 4.27Å; D773-Q777 WeakPolarHBondContact O-CB 3.49Å; D773-Q777 WeakPolarHBondContact O-CG 3.34Å; D773-Q777 PolarHBondContact O-N 3.45Å; D773-Q777 PolarHBondContact OD1-NE2 3.44Å; D773-Q777 PolarHBondContact OD2-NE2 3.47Å; P774-Q777 PolarHBondContact O-N 3.06Å; Q777-L780 PolarHBondContact O-N 3.46Å; Q777-L781 WeakPolarHBondContact O-CB 3.34Å; Q777-L781 PolarHBondContact O-N 3.25Å |
| 778 | F | 85.5 | Confident | 84.2 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 24% | 0.237 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.9 | -33.3 | -179.5 | -77.3 | -69.8 | 0 | 0 | 0 | 112.7 | P774 L781 V782 M925 Y928 V929 | P774-F778 HydrophobicContact CB-CD2 4.36Å; P774-F778 WeakPolarHBondContact O-CB 3.22Å; P774-F778 WeakPolarHBondContact O-CD2 3.44Å; P774-F778 PolarHBondContact O-N 3.02Å; F778-L781 HydrophobicContact CD1-CD2 4.31Å; F778-L781 HydrophobicContact CE1-CD2 4.47Å; F778-L781 PolarHBondContact O-N 3.05Å; F778-V782 WeakPolarHBondContact O-CG2 3.31Å; F778-V782 PolarHBondContact O-N 2.89Å; F778-M925 HydrophobicContact CD1-CG 4.08Å; F778-M925 HydrophobicContact CD1-SD 4.26Å; F778-M925 HydrophobicContact CE1-CE 4.45Å; F778-M925 HydrophobicContact CE1-CG 4.16Å; F778-M925 HydrophobicContact CE1-SD 4.41Å; F778-Y928 AromaticContact CD2-CD1 3.45Å; F778-Y928 HydrophobicContact CD2-CD1 3.45Å; F778-Y928 VanDerWaalsContact CD2-CD1 3.45Å; F778-Y928 AromaticContact CD2-CE1 3.36Å; F778-Y928 HydrophobicContact CD2-CE1 3.36Å; F778-Y928 HydrophobicContact CD2-CG 4.48Å; F778-Y928 AromaticContact CE2-CD1 3.74Å; F778-Y928 HydrophobicContact CE2-CD1 3.74Å; F778-Y928 AromaticContact CE2-CE1 3.38Å; F778-Y928 HydrophobicContact CE2-CE1 3.38Å; F778-Y928 AromaticContact CE2-CZ 3.93Å; F778-Y928 HydrophobicContact CG-CD1 4.03Å; F778-Y928 HydrophobicContact CG-CE1 4.37Å; F778-Y928 HydrophobicContact CZ-CE1 4.39Å; F778-V929 HydrophobicContact CB-CG2 3.6Å |
| 779 | C | 87.8 | Confident | 84.4 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57 | -52.5 | 170.5 | -77.5 | 0 | 0 | 0 | 0 | 111.4 | F775 L776 V782 T783 V929 | F775-C779 WeakPolarHBondContact CE2-SG 3.48Å; F775-C779 WeakPolarHBondContact O-CB 3.24Å; F775-C779 PolarHBondContact O-N 3.13Å; F775-C779 PolarHBondContact O-SG 3.32Å; L776-C779 PolarHBondContact O-N 3.4Å; C779-V782 PolarHBondContact O-N 3.4Å; C779-T783 PolarHBondContact O-N 2.92Å; C779-V929 VanDerWaalsContact SG-CG1 3.52Å |
| 780 | L | 87.2 | Confident | 84.8 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 20% | 0.199 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | -179 | -73.6 | 168.9 | 0 | 0 | 0 | 112 | I665 V666 I669 L776 Q777 V782 T783 F784 | I665-L780 HydrophobicContact CB-CD1 4.47Å; I665-L780 HydrophobicContact CG2-CD1 3.73Å; V666-L780 HydrophobicContact CG2-CD1 3.79Å; V666-L780 HydrophobicContact CG2-CD2 3.88Å; I669-L780 HydrophobicContact CD1-CB 3.62Å; I669-L780 HydrophobicContact CD1-CD1 3.96Å; I669-L780 HydrophobicContact CD1-CG 4.45Å; I669-L780 HydrophobicContact CG2-CB 4.42Å; L776-L780 WeakPolarHBondContact O-CG 3.17Å; L776-L780 PolarHBondContact O-N 3.23Å; L776-L780 VanDerWaalsContact O-N 3.08Å; Q777-L780 PolarHBondContact O-N 3.46Å; L780-V782 VanDerWaalsContact C-N 3.33Å; L780-V782 PolarHBondContact O-N 3.46Å; L780-T783 WeakPolarHBondContact CA-OG1 3.37Å; L780-T783 PolarHBondContact O-N 3.38Å; L780-T783 VanDerWaalsContact O-N 3.15Å; L780-T783 PolarHBondContact O-OG1 3.46Å; L780-F784 VanDerWaalsContact O-CD2 3.27Å; L780-F784 WeakPolarHBondContact O-CD2 3.18Å; L780-F784 PolarHBondContact O-N 3.39Å |
| 781 | L | 85 | Confident | 85.2 | Confident | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.188 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 176 | -176.7 | 58.9 | 0 | 0 | 0 | 112.3 | I669 Q777 F778 T785 M925 | I669-L781 HydrophobicContact CG2-CB 4.4Å; I669-L781 HydrophobicContact CG2-CD1 4.46Å; Q777-L781 WeakPolarHBondContact O-CB 3.34Å; Q777-L781 PolarHBondContact O-N 3.25Å; F778-L781 HydrophobicContact CD1-CD2 4.31Å; F778-L781 HydrophobicContact CE1-CD2 4.47Å; F778-L781 PolarHBondContact O-N 3.05Å; L781-T785 WeakPolarHBondContact O-CB 3.35Å; L781-T785 PolarHBondContact O-N 2.99Å; L781-T785 PolarHBondContact O-OG1 3.21Å; L781-M925 HydrophobicContact CD2-CE 3.72Å; L781-M925 HydrophobicContact CD2-SD 3.66Å; L781-M925 HydrophobicContact CG-SD 4.13Å |
| 782 | V | 87.9 | Confident | 85.4 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 173.3 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | F778 C779 L780 T785 I786 L922 M925 V929 | F778-V782 WeakPolarHBondContact O-CG2 3.31Å; F778-V782 PolarHBondContact O-N 2.89Å; C779-V782 PolarHBondContact O-N 3.4Å; L780-V782 VanDerWaalsContact C-N 3.33Å; L780-V782 PolarHBondContact O-N 3.46Å; V782-T785 WeakPolarHBondContact O-CB 3.37Å; V782-T785 PolarHBondContact O-N 3.33Å; V782-I786 HydrophobicContact CG1-CD1 3.95Å; V782-I786 WeakPolarHBondContact O-CG1 3.4Å; V782-I786 PolarHBondContact O-N 3.09Å; V782-L922 HydrophobicContact CG1-CD1 4.09Å; V782-L922 HydrophobicContact CG2-CD1 4.15Å; V782-M925 HydrophobicContact CG2-CB 4.27Å; V782-V929 HydrophobicContact CG2-CG2 4.26Å |
| 783 | T | 87.6 | Confident | 85.5 | Confident | 68 Ų | 68 | 40.1 Ų | 40.1 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | C779 L780 T785 I786 I787 | C779-T783 PolarHBondContact O-N 2.92Å; L780-T783 WeakPolarHBondContact CA-OG1 3.37Å; L780-T783 PolarHBondContact O-N 3.38Å; L780-T783 VanDerWaalsContact O-N 3.15Å; L780-T783 PolarHBondContact O-OG1 3.46Å; T783-T785 VanDerWaalsContact C-N 3.31Å; T783-T785 PolarHBondContact O-N 3.18Å; T783-I786 PolarHBondContact O-N 3.08Å; T783-I787 WeakPolarHBondContact O-CD1 3.16Å; T783-I787 VanDerWaalsContact O-CG1 3.27Å; T783-I787 WeakPolarHBondContact O-CG1 3.13Å; T783-I787 PolarHBondContact O-N 3.28Å |
| 784 | F | 87.9 | Confident | 86 | Confident | 46 Ų | 46 | 42 Ų | 42 | 20% | 0.202 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -35.4 | 175.3 | -80.7 | -69.1 | 0 | 0 | 0 | 112.2 | V666 I669 A673 L780 I787 I788 | V666-F784 HydrophobicContact CG1-CZ 4.37Å; I669-F784 HydrophobicContact CB-CD2 4.34Å; I669-F784 HydrophobicContact CB-CE2 4.23Å; I669-F784 HydrophobicContact CG2-CD2 3.62Å; I669-F784 HydrophobicContact CG2-CE2 4.02Å; A673-F784 HydrophobicContact CB-CB 4.31Å; A673-F784 HydrophobicContact CB-CD1 4.28Å; A673-F784 HydrophobicContact CB-CG 4.34Å; L780-F784 VanDerWaalsContact O-CD2 3.27Å; L780-F784 WeakPolarHBondContact O-CD2 3.18Å; L780-F784 PolarHBondContact O-N 3.39Å; F784-I787 PolarHBondContact O-N 2.69Å; F784-I788 WeakPolarHBondContact O-CG1 3.47Å; F784-I788 PolarHBondContact O-N 3.02Å |
| 785 | T | 85.4 | Confident | 86.3 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 173.8 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | L781 V782 T783 I788 I789 Y918 | L781-T785 WeakPolarHBondContact O-CB 3.35Å; L781-T785 PolarHBondContact O-N 2.99Å; L781-T785 PolarHBondContact O-OG1 3.21Å; V782-T785 WeakPolarHBondContact O-CB 3.37Å; V782-T785 PolarHBondContact O-N 3.33Å; T783-T785 VanDerWaalsContact C-N 3.31Å; T783-T785 PolarHBondContact O-N 3.18Å; T785-I788 PolarHBondContact O-N 2.9Å; T785-I789 HydrophobicContact CG2-CD1 4.01Å; T785-I789 WeakPolarHBondContact O-CG1 3.46Å; T785-I789 PolarHBondContact O-N 3Å; T785-I789 VanDerWaalsContact O-N 3.08Å; T785-Y918 HydrophobicContact CG2-CD1 4.17Å |
| 786 | I | 86.7 | Confident | 86.1 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 30% | 0.297 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.4 | -67.3 | 166.2 | 0 | 0 | 0 | 111.3 | V782 T783 I789 A790 V800 | V782-I786 HydrophobicContact CG1-CD1 3.95Å; V782-I786 WeakPolarHBondContact O-CG1 3.4Å; V782-I786 PolarHBondContact O-N 3.09Å; T783-I786 PolarHBondContact O-N 3.08Å; I786-I789 PolarHBondContact O-N 2.87Å; I786-A790 WeakPolarHBondContact O-CB 3.49Å; I786-A790 PolarHBondContact O-N 2.83Å; I786-V800 HydrophobicContact CG2-CG1 3.78Å; I786-V800 HydrophobicContact CG2-CG2 4.39Å |
| 787 | I | 88.5 | Confident | 86.2 | Confident | 101 Ų | 101 | 44.3 Ų | 44.3 | 52% | 0.518 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.5 | -69.7 | 162.9 | 0 | 0 | 0 | 111.2 | T783 F784 A790 S791 | T783-I787 WeakPolarHBondContact O-CD1 3.16Å; T783-I787 VanDerWaalsContact O-CG1 3.27Å; T783-I787 WeakPolarHBondContact O-CG1 3.13Å; T783-I787 PolarHBondContact O-N 3.28Å; F784-I787 PolarHBondContact O-N 2.69Å; I787-A790 PolarHBondContact O-N 3.34Å; I787-S791 WeakPolarHBondContact O-CB 3.33Å; I787-S791 PolarHBondContact O-N 3.4Å; I787-S791 PolarHBondContact O-OG 3.3Å |
| 788 | I | 86.7 | Confident | 86.4 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -50 | 175.8 | -69.4 | 166 | 0 | 0 | 0 | 110.2 | A673 F784 T785 A790 S791 V792 L914 Y918 | A673-I788 HydrophobicContact CB-CD1 4.37Å; F784-I788 WeakPolarHBondContact O-CG1 3.47Å; F784-I788 PolarHBondContact O-N 3.02Å; T785-I788 PolarHBondContact O-N 2.9Å; I788-A790 VanDerWaalsContact C-N 3.33Å; I788-A790 PolarHBondContact O-N 3.4Å; I788-S791 WeakPolarHBondContact CA-OG 3.47Å; I788-S791 PolarHBondContact O-N 3.42Å; I788-S791 VanDerWaalsContact O-N 3.16Å; I788-S791 PolarHBondContact O-OG 3.08Å; I788-V792 PolarHBondContact O-N 3.11Å; I788-V792 VanDerWaalsContact O-N 3.09Å; I788-L914 HydrophobicContact CG2-CD2 4.3Å; I788-Y918 HydrophobicContact CD1-CD1 4.27Å; I788-Y918 HydrophobicContact CD1-CD2 4.23Å; I788-Y918 HydrophobicContact CD1-CE1 4.01Å; I788-Y918 HydrophobicContact CD1-CE2 3.97Å; I788-Y918 HydrophobicContact CD1-CG 4.37Å |
| 789 | I | 86.7 | Confident | 86.3 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 178.4 | -65.4 | 162.1 | 0 | 0 | 0 | 111.5 | T785 I786 S791 F793 M796 V895 T915 | T785-I789 HydrophobicContact CG2-CD1 4.01Å; T785-I789 WeakPolarHBondContact O-CG1 3.46Å; T785-I789 PolarHBondContact O-N 3Å; T785-I789 VanDerWaalsContact O-N 3.08Å; I786-I789 PolarHBondContact O-N 2.87Å; I789-S791 PolarHBondContact O-N 3.44Å; I789-F793 PolarHBondContact O-N 3.42Å; I789-M796 HydrophobicContact CG2-CB 3.97Å; I789-M796 HydrophobicContact CG2-CG 4.29Å; I789-V895 HydrophobicContact CG2-CG2 4.15Å; I789-T915 HydrophobicContact CB-CG2 4.24Å; I789-T915 HydrophobicContact CG1-CG2 3.75Å; I789-T915 HydrophobicContact CG2-CG2 4.49Å |
| 790 | A | 87 | Confident | 86.3 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 22% | 0.223 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.3 | -32 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | I786 I787 I788 F793 P794 | I786-A790 WeakPolarHBondContact O-CB 3.49Å; I786-A790 PolarHBondContact O-N 2.83Å; I787-A790 PolarHBondContact O-N 3.34Å; I788-A790 VanDerWaalsContact C-N 3.33Å; I788-A790 PolarHBondContact O-N 3.4Å; A790-F793 CarbonylContact O-C 3.33Å; A790-P794 WeakPolarHBondContact O-CA 3.47Å |
| 791 | S | 85.7 | Confident | 86.4 | Confident | 81 Ų | 81 | 45.5 Ų | 45.5 | 57% | 0.566 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -73.1 | -33 | 178 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | I787 I788 I789 | I787-S791 WeakPolarHBondContact O-CB 3.33Å; I787-S791 PolarHBondContact O-N 3.4Å; I787-S791 PolarHBondContact O-OG 3.3Å; I788-S791 WeakPolarHBondContact CA-OG 3.47Å; I788-S791 PolarHBondContact O-N 3.42Å; I788-S791 VanDerWaalsContact O-N 3.16Å; I788-S791 PolarHBondContact O-OG 3.08Å; I789-S791 PolarHBondContact O-N 3.44Å |
| 792 | V | 85.6 | Confident | 86.6 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -87.1 | -37.2 | 177.5 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | I788 I907 L911 T915 | I788-V792 PolarHBondContact O-N 3.11Å; I788-V792 VanDerWaalsContact O-N 3.09Å; V792-I907 HydrophobicContact CG1-CD1 4.39Å; V792-I907 HydrophobicContact CG1-CG2 3.81Å; V792-I907 VanDerWaalsContact O-CD1 3.3Å; V792-I907 WeakPolarHBondContact O-CD1 3.36Å; V792-L911 HydrophobicContact CG1-CB 4.31Å; V792-L911 HydrophobicContact CG2-CB 4.46Å; V792-L911 HydrophobicContact CG2-CD2 4.47Å; V792-T915 WeakPolarHBondContact CG2-OG1 3.33Å |
| 793 | F | 85.8 | Confident | 86.5 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | trans | -128 | 84.8 | 178.1 | -58.1 | -72.1 | 0 | 0 | 0 | 111.2 | I789 A790 A795 M796 V895 F898 V899 I907 K912 T915 | I789-F793 PolarHBondContact O-N 3.42Å; A790-F793 CarbonylContact O-C 3.33Å; F793-A795 PolarHBondContact O-N 3.48Å; F793-A795 VanDerWaalsContact O-N 3.1Å; F793-M796 HydrophobicContact CB-CB 4.16Å; F793-M796 HydrophobicContact CB-CG 3.58Å; F793-M796 HydrophobicContact CG-CG 4.36Å; F793-M796 VanDerWaalsContact O-CB 3.32Å; F793-M796 WeakPolarHBondContact O-CB 3.36Å; F793-M796 PolarHBondContact O-N 2.99Å; F793-V895 HydrophobicContact CE2-CG1 4.46Å; F793-F898 HydrophobicContact CD1-CB 4.42Å; F793-F898 HydrophobicContact CE1-CB 4.46Å; F793-V899 HydrophobicContact CE2-CG2 3.76Å; F793-V899 HydrophobicContact CZ-CB 4.46Å; F793-V899 HydrophobicContact CZ-CG2 3.56Å; F793-I907 HydrophobicContact CD1-CD1 3.62Å; F793-I907 HydrophobicContact CE1-CD1 3.44Å; F793-I907 VanDerWaalsContact CE1-CD1 3.44Å; F793-I907 HydrophobicContact CZ-CD1 4.35Å; F793-K912 HydrophobicContact CZ-CG 4.31Å; F793-T915 HydrophobicContact CD2-CG2 3.94Å; F793-T915 HydrophobicContact CE2-CG2 3.84Å | ||
| 794 | P | 86.3 | Confident | 86.5 | Confident | 96 Ų | 96 | 47.4 Ų | 47.4 | 62% | 0.623 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -33.3 | 179.6 | -29.4 | 36.6 | 0 | 0 | 0 | 114.2 | A790 M796 L797 | A790-P794 WeakPolarHBondContact O-CA 3.47Å; P794-M796 PolarHBondContact O-N 3.29Å; P794-L797 VanDerWaalsContact O-CB 3.25Å; P794-L797 WeakPolarHBondContact O-CB 3.43Å; P794-L797 PolarHBondContact O-N 3.31Å; P794-L797 VanDerWaalsContact O-N 3.1Å |
| 795 | A | 84.8 | Confident | 86.6 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | F793 L797 A798 F898 | F793-A795 PolarHBondContact O-N 3.48Å; F793-A795 VanDerWaalsContact O-N 3.1Å; A795-L797 PolarHBondContact O-N 2.9Å; A795-A798 PolarHBondContact O-N 2.74Å; A795-F898 HydrophobicContact CB-CE1 3.97Å |
| 796 | M | 83.6 | Confident | 86.7 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.044 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.8 | -14.8 | 175.3 | -69.1 | -74.3 | 92.4 | 0 | 0 | 113.1 | I789 F793 P794 A798 A799 V800 L894 V895 F898 | I789-M796 HydrophobicContact CG2-CB 3.97Å; I789-M796 HydrophobicContact CG2-CG 4.29Å; F793-M796 HydrophobicContact CB-CB 4.16Å; F793-M796 HydrophobicContact CB-CG 3.58Å; F793-M796 HydrophobicContact CG-CG 4.36Å; F793-M796 VanDerWaalsContact O-CB 3.32Å; F793-M796 WeakPolarHBondContact O-CB 3.36Å; F793-M796 PolarHBondContact O-N 2.99Å; P794-M796 PolarHBondContact O-N 3.29Å; M796-A798 PolarHBondContact O-N 3.41Å; M796-A799 HydrophobicContact CE-CB 4.45Å; M796-A799 PolarHBondContact O-N 3.43Å; M796-A799 VanDerWaalsContact O-N 3.1Å; M796-V800 WeakPolarHBondContact O-CG2 3.27Å; M796-V800 PolarHBondContact O-N 3.37Å; M796-L894 HydrophobicContact SD-CB 4.22Å; M796-V895 HydrophobicContact SD-CG2 4.19Å; M796-F898 HydrophobicContact CE-CD1 3.95Å; M796-F898 HydrophobicContact CE-CD2 3.33Å; M796-F898 HydrophobicContact CE-CE1 3.95Å; M796-F898 HydrophobicContact CE-CE2 3.33Å; M796-F898 HydrophobicContact CE-CG 3.66Å; M796-F898 HydrophobicContact CE-CZ 3.65Å; M796-F898 HydrophobicContact SD-CD2 4.31Å; M796-F898 HydrophobicContact SD-CG 4.36Å |
| 797 | L | 84.3 | Confident | 86.8 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.3 | -36.6 | 176.3 | -171.1 | 65.2 | 0 | 0 | 0 | 112 | P794 A795 V800 V801 | P794-L797 VanDerWaalsContact O-CB 3.25Å; P794-L797 WeakPolarHBondContact O-CB 3.43Å; P794-L797 PolarHBondContact O-N 3.31Å; P794-L797 VanDerWaalsContact O-N 3.1Å; A795-L797 PolarHBondContact O-N 2.9Å; L797-V800 PolarHBondContact O-N 2.61Å; L797-V801 WeakPolarHBondContact O-CG2 3.38Å; L797-V801 PolarHBondContact O-N 3.25Å |
| 798 | A | 87.5 | Confident | 86.6 | Confident | 67 Ų | 67 | 51.5 Ų | 51.5 | 55% | 0.554 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64 | -43.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A795 M796 V801 V802 | A795-A798 PolarHBondContact O-N 2.74Å; M796-A798 PolarHBondContact O-N 3.41Å; A798-V801 PolarHBondContact O-N 2.92Å; A798-V802 WeakPolarHBondContact O-CG2 3.27Å; A798-V802 PolarHBondContact O-N 2.92Å |
| 799 | A | 85.3 | Confident | 86.7 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M796 V801 V802 M803 L894 | M796-A799 HydrophobicContact CE-CB 4.45Å; M796-A799 PolarHBondContact O-N 3.43Å; M796-A799 VanDerWaalsContact O-N 3.1Å; A799-V801 VanDerWaalsContact C-N 3.34Å; A799-V801 PolarHBondContact O-N 2.84Å; A799-V802 PolarHBondContact O-N 3Å; A799-M803 WeakPolarHBondContact O-CB 3.37Å; A799-M803 VanDerWaalsContact O-CG 3.31Å; A799-M803 WeakPolarHBondContact O-CG 3.49Å; A799-M803 PolarHBondContact O-N 3.26Å; A799-L894 HydrophobicContact CB-CD1 3.96Å |
| 800 | V | 86.6 | Confident | 86.7 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59 | -42.4 | 173.7 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | I786 M796 L797 G804 M891 | I786-V800 HydrophobicContact CG2-CG1 3.78Å; I786-V800 HydrophobicContact CG2-CG2 4.39Å; M796-V800 WeakPolarHBondContact O-CG2 3.27Å; M796-V800 PolarHBondContact O-N 3.37Å; L797-V800 PolarHBondContact O-N 2.61Å; V800-G804 PolarHBondContact O-N 2.86Å; V800-M891 HydrophobicContact CB-CE 4.38Å; V800-M891 HydrophobicContact CG2-CE 3.94Å |
| 801 | V | 89.5 | Confident | 86.5 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 53% | 0.533 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.4 | -49.3 | 176.4 | 170 | 0 | 0 | 0 | 0 | 111.6 | L797 A798 A799 M803 G804 V805 | L797-V801 WeakPolarHBondContact O-CG2 3.38Å; L797-V801 PolarHBondContact O-N 3.25Å; A798-V801 PolarHBondContact O-N 2.92Å; A799-V801 VanDerWaalsContact C-N 3.34Å; A799-V801 PolarHBondContact O-N 2.84Å; V801-M803 PolarHBondContact O-N 3.2Å; V801-G804 PolarHBondContact O-N 3.46Å; V801-G804 VanDerWaalsContact O-N 3.13Å; V801-V805 WeakPolarHBondContact O-CG2 3.46Å; V801-V805 PolarHBondContact O-N 3.1Å |
| 802 | V | 89.8 | Confident | 86.4 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 61% | 0.612 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.9 | -46.3 | 179.6 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | A798 A799 G804 V805 L806 | A798-V802 WeakPolarHBondContact O-CG2 3.27Å; A798-V802 PolarHBondContact O-N 2.92Å; A799-V802 PolarHBondContact O-N 3Å; V802-G804 VanDerWaalsContact C-N 3.33Å; V802-V805 PolarHBondContact O-N 3.11Å; V802-L806 PolarHBondContact O-N 2.96Å; V802-L806 VanDerWaalsContact O-N 3.07Å |
| 803 | M | 86.1 | Confident | 86.2 | Confident | 29 Ų | 29 | 62 Ų | 62 | 14% | 0.143 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.7 | -29.8 | 177.7 | -66.2 | -67.7 | -83.1 | 0 | 0 | 112.3 | A799 V801 L806 F807 M887 M891 | A799-M803 WeakPolarHBondContact O-CB 3.37Å; A799-M803 VanDerWaalsContact O-CG 3.31Å; A799-M803 WeakPolarHBondContact O-CG 3.49Å; A799-M803 PolarHBondContact O-N 3.26Å; V801-M803 PolarHBondContact O-N 3.2Å; M803-L806 PolarHBondContact O-N 3.28Å; M803-L806 HydrophobicContact SD-CD2 4.22Å; M803-F807 VanDerWaalsContact O-CB 3.23Å; M803-F807 WeakPolarHBondContact O-CB 3.34Å; M803-F807 PolarHBondContact O-N 2.63Å; M803-M887 HydrophobicContact CB-CE 4.26Å; M803-M887 HydrophobicContact CE-CB 3.66Å; M803-M887 HydrophobicContact CE-CE 3.96Å; M803-M887 HydrophobicContact CE-CG 3.89Å; M803-M887 VanDerWaalsContact CE-O 3.26Å; M803-M887 WeakPolarHBondContact CE-O 3.32Å; M803-M887 WeakPolarHBondContact O-CE 3.48Å; M803-M887 HydrophobicContact SD-CE 4.31Å; M803-M891 HydrophobicContact CB-CE 3.54Å; M803-M891 HydrophobicContact CB-SD 4.38Å; M803-M891 HydrophobicContact CE-CG 4.28Å; M803-M891 HydrophobicContact CG-CE 3.64Å; M803-M891 HydrophobicContact CG-SD 3.87Å |
| 804 | G | 87.3 | Confident | 86.1 | Confident | 31 Ų | 31 | 63 Ų | 63 | 32% | 0.32 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V800 V801 V802 F807 T808 | V800-G804 PolarHBondContact O-N 2.86Å; V801-G804 PolarHBondContact O-N 3.46Å; V801-G804 VanDerWaalsContact O-N 3.13Å; V802-G804 VanDerWaalsContact C-N 3.33Å; G804-F807 PolarHBondContact O-N 3.05Å; G804-T808 WeakPolarHBondContact O-CG2 3.31Å; G804-T808 PolarHBondContact O-N 3.33Å; G804-T808 PolarHBondContact O-OG1 3.41Å |
| 805 | V | 89.8 | Confident | 85.7 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 173.6 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | V801 V802 F807 T808 L809 | V801-V805 WeakPolarHBondContact O-CG2 3.46Å; V801-V805 PolarHBondContact O-N 3.1Å; V802-V805 PolarHBondContact O-N 3.11Å; V805-F807 VanDerWaalsContact C-N 3.3Å; V805-F807 PolarHBondContact O-N 3.16Å; V805-T808 PolarHBondContact O-N 3.33Å; V805-T808 PolarHBondContact O-OG1 2.9Å; V805-T808 VanDerWaalsContact O-OG1 3.12Å; V805-L809 WeakPolarHBondContact O-CB 3.49Å; V805-L809 PolarHBondContact O-N 2.76Å |
| 806 | L | 88.3 | Confident | 85.5 | Confident | 79 Ų | 79 | 65 Ų | 65 | 41% | 0.414 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 175.5 | -174.2 | 64.6 | 0 | 0 | 0 | 111.7 | V802 M803 I810 M887 | V802-L806 PolarHBondContact O-N 2.96Å; V802-L806 VanDerWaalsContact O-N 3.07Å; M803-L806 PolarHBondContact O-N 3.28Å; M803-L806 HydrophobicContact SD-CD2 4.22Å; L806-I810 HydrophobicContact CD1-CD1 4.26Å; L806-I810 HydrophobicContact CG-CD1 4.01Å; L806-I810 VanDerWaalsContact O-CG1 3.31Å; L806-I810 WeakPolarHBondContact O-CG1 3.4Å; L806-I810 PolarHBondContact O-N 3.49Å; L806-M887 HydrophobicContact CB-CE 3.95Å; L806-M887 HydrophobicContact CD2-CE 3.96Å; L806-M887 HydrophobicContact CD2-CG 4.31Å; L806-M887 HydrophobicContact CD2-SD 4.1Å; L806-M887 HydrophobicContact CG-CE 4.02Å; L806-M887 HydrophobicContact CG-SD 4.18Å |
| 807 | F | 87.9 | Confident | 85.5 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 19% | 0.193 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.9 | -49.3 | 178.2 | 173.3 | -107 | 0 | 0 | 0 | 112 | M803 G804 V805 L809 I810 L811 L884 M887 L926 V930 | M803-F807 VanDerWaalsContact O-CB 3.23Å; M803-F807 WeakPolarHBondContact O-CB 3.34Å; M803-F807 PolarHBondContact O-N 2.63Å; G804-F807 PolarHBondContact O-N 3.05Å; V805-F807 VanDerWaalsContact C-N 3.3Å; V805-F807 PolarHBondContact O-N 3.16Å; F807-L809 VanDerWaalsContact C-N 3.33Å; F807-L809 PolarHBondContact O-N 3.31Å; F807-I810 PolarHBondContact O-N 3.45Å; F807-L811 HydrophobicContact CD1-CD1 4.22Å; F807-L811 HydrophobicContact CD2-CG 4.45Å; F807-L811 HydrophobicContact CE1-CD1 3.61Å; F807-L811 HydrophobicContact CE1-CG 4.39Å; F807-L811 HydrophobicContact CE2-CD1 4.02Å; F807-L811 HydrophobicContact CE2-CD2 4.37Å; F807-L811 HydrophobicContact CE2-CG 4.18Å; F807-L811 HydrophobicContact CZ-CD1 3.51Å; F807-L811 HydrophobicContact CZ-CG 4.17Å; F807-L811 WeakPolarHBondContact O-CG 3.48Å; F807-L811 PolarHBondContact O-N 3.43Å; F807-L884 HydrophobicContact CD2-CD2 3.5Å; F807-L884 HydrophobicContact CE2-CD2 3.62Å; F807-M887 HydrophobicContact CB-CE 3.84Å; F807-L926 HydrophobicContact CD2-CD1 4.25Å; F807-L926 HydrophobicContact CD2-CD2 4.02Å; F807-L926 HydrophobicContact CD2-CG 4.3Å; F807-L926 HydrophobicContact CE2-CD1 3.59Å; F807-L926 HydrophobicContact CE2-CD2 4.02Å; F807-L926 HydrophobicContact CE2-CG 3.78Å; F807-L926 HydrophobicContact CZ-CD1 3.81Å; F807-L926 HydrophobicContact CZ-CG 4.48Å; F807-V930 HydrophobicContact CE2-CG2 3.82Å; F807-V930 HydrophobicContact CZ-CG2 3.8Å |
| 808 | T | 85.2 | Confident | 85.3 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 179.5 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | G804 V805 L811 F812 | G804-T808 WeakPolarHBondContact O-CG2 3.31Å; G804-T808 PolarHBondContact O-N 3.33Å; G804-T808 PolarHBondContact O-OG1 3.41Å; V805-T808 PolarHBondContact O-N 3.33Å; V805-T808 PolarHBondContact O-OG1 2.9Å; V805-T808 VanDerWaalsContact O-OG1 3.12Å; T808-L811 PolarHBondContact O-N 3.15Å; T808-F812 VanDerWaalsContact O-CB 3.25Å; T808-F812 WeakPolarHBondContact O-CB 3.46Å; T808-F812 PolarHBondContact O-N 3.05Å |
| 809 | L | 87.4 | Confident | 84.8 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 173.7 | -173.4 | 153.8 | 0 | 0 | 0 | 111.7 | V805 F807 L811 F812 V813 | V805-L809 WeakPolarHBondContact O-CB 3.49Å; V805-L809 PolarHBondContact O-N 2.76Å; F807-L809 VanDerWaalsContact C-N 3.33Å; F807-L809 PolarHBondContact O-N 3.31Å; L809-L811 VanDerWaalsContact C-N 3.35Å; L809-L811 PolarHBondContact O-N 3.01Å; L809-F812 PolarHBondContact O-N 2.94Å; L809-V813 WeakPolarHBondContact O-CG2 3.08Å; L809-V813 PolarHBondContact O-N 3.06Å; L809-V813 VanDerWaalsContact O-N 3.12Å |
| 810 | I | 86.2 | Confident | 84.6 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 177.3 | -71 | 167.4 | 0 | 0 | 0 | 110.7 | L806 F807 F814 L880 M887 | L806-I810 HydrophobicContact CD1-CD1 4.26Å; L806-I810 HydrophobicContact CG-CD1 4.01Å; L806-I810 VanDerWaalsContact O-CG1 3.31Å; L806-I810 WeakPolarHBondContact O-CG1 3.4Å; L806-I810 PolarHBondContact O-N 3.49Å; F807-I810 PolarHBondContact O-N 3.45Å; I810-F814 WeakPolarHBondContact O-CB 3.42Å; I810-F814 PolarHBondContact O-N 3.38Å; I810-L880 HydrophobicContact CG2-CD1 3.73Å; I810-M887 HydrophobicContact CD1-SD 3.8Å |
| 811 | L | 83 | Confident | 84.4 | Confident | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.12 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 176.4 | -70.4 | -167.4 | 0 | 0 | 0 | 112.7 | F807 T808 L809 V813 F814 Q815 L880 V930 | F807-L811 HydrophobicContact CD1-CD1 4.22Å; F807-L811 HydrophobicContact CD2-CG 4.45Å; F807-L811 HydrophobicContact CE1-CD1 3.61Å; F807-L811 HydrophobicContact CE1-CG 4.39Å; F807-L811 HydrophobicContact CE2-CD1 4.02Å; F807-L811 HydrophobicContact CE2-CD2 4.37Å; F807-L811 HydrophobicContact CE2-CG 4.18Å; F807-L811 HydrophobicContact CZ-CD1 3.51Å; F807-L811 HydrophobicContact CZ-CG 4.17Å; F807-L811 WeakPolarHBondContact O-CG 3.48Å; F807-L811 PolarHBondContact O-N 3.43Å; T808-L811 PolarHBondContact O-N 3.15Å; L809-L811 VanDerWaalsContact C-N 3.35Å; L809-L811 PolarHBondContact O-N 3.01Å; L811-V813 PolarHBondContact O-N 2.98Å; L811-F814 PolarHBondContact O-N 3.44Å; L811-Q815 VanDerWaalsContact O-CB 3.27Å; L811-Q815 WeakPolarHBondContact O-CB 3.4Å; L811-Q815 VanDerWaalsContact O-CG 3.31Å; L811-Q815 WeakPolarHBondContact O-CG 3.14Å; L811-Q815 PolarHBondContact O-N 3.01Å; L811-L880 HydrophobicContact CD2-CD1 4.41Å; L811-V930 HydrophobicContact CD1-CG2 4.29Å; L811-V930 HydrophobicContact CD2-CB 4.35Å; L811-V930 HydrophobicContact CD2-CG1 3.48Å; L811-V930 VanDerWaalsContact CD2-CG1 3.48Å; L811-V930 HydrophobicContact CD2-CG2 3.87Å |
| 812 | F | 83.3 | Confident | 83.9 | Confident | 123 Ų | 123 | 66.4 Ų | 66.4 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | -176.2 | 177.1 | -96 | 0 | 0 | 0 | 112.3 | T808 L809 R816 | T808-F812 VanDerWaalsContact O-CB 3.25Å; T808-F812 WeakPolarHBondContact O-CB 3.46Å; T808-F812 PolarHBondContact O-N 3.05Å; L809-F812 PolarHBondContact O-N 2.94Å; F812-R816 VanDerWaalsContact CZ-CZ 3.48Å; F812-R816 VanDerWaalsContact CZ-NH2 3.28Å |
| 813 | V | 83.2 | Confident | 83.4 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 58% | 0.576 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.8 | -47.9 | 175.3 | 176 | 0 | 0 | 0 | 0 | 110.2 | L809 L811 | L809-V813 WeakPolarHBondContact O-CG2 3.08Å; L809-V813 PolarHBondContact O-N 3.06Å; L809-V813 VanDerWaalsContact O-N 3.12Å; L811-V813 PolarHBondContact O-N 2.98Å |
| 814 | F | 83.1 | Confident | 83.3 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -85 | -32.8 | -165.4 | -155.9 | -104.2 | 0 | 0 | 0 | 115 | I810 L811 R816 G817 I818 G876 W879 L880 | I810-F814 WeakPolarHBondContact O-CB 3.42Å; I810-F814 PolarHBondContact O-N 3.38Å; L811-F814 PolarHBondContact O-N 3.44Å; F814-R816 PolarHBondContact O-N 3.48Å; F814-G817 WeakPolarHBondContact O-CA 3.33Å; F814-G817 PolarHBondContact O-N 3.46Å; F814-I818 HydrophobicContact CD1-CD1 3.4Å; F814-I818 VanDerWaalsContact CD1-CD1 3.4Å; F814-I818 HydrophobicContact CD1-CG1 3.59Å; F814-I818 HydrophobicContact CE1-CD1 3.6Å; F814-I818 HydrophobicContact CE1-CG1 3.47Å; F814-I818 VanDerWaalsContact CE1-CG1 3.47Å; F814-I818 HydrophobicContact CZ-CG1 4.39Å; F814-I818 WeakPolarHBondContact O-CG1 3.35Å; F814-I818 PolarHBondContact O-N 2.91Å; F814-G876 WeakPolarHBondContact CE1-O 3.25Å; F814-G876 WeakPolarHBondContact CZ-O 3.5Å; F814-W879 HydrophobicContact CB-CZ3 4.34Å; F814-W879 HydrophobicContact CD1-CE3 4.34Å; F814-W879 HydrophobicContact CD1-CZ3 4.39Å; F814-W879 AromaticContact CD2-CE3 3.6Å; F814-W879 HydrophobicContact CD2-CE3 3.6Å; F814-W879 HydrophobicContact CD2-CH2 4.21Å; F814-W879 AromaticContact CD2-CZ3 3.34Å; F814-W879 HydrophobicContact CD2-CZ3 3.34Å; F814-W879 HydrophobicContact CE1-CE3 4.15Å; F814-W879 HydrophobicContact CE2-CD2 4.13Å; F814-W879 AromaticContact CE2-CE3 3.37Å; F814-W879 HydrophobicContact CE2-CE3 3.37Å; F814-W879 AromaticContact CE2-CZ3 3.65Å; F814-W879 HydrophobicContact CE2-CZ3 3.65Å; F814-W879 HydrophobicContact CG-CE3 4.08Å; F814-W879 AromaticContact CG-CZ3 3.77Å; F814-W879 HydrophobicContact CG-CZ3 3.77Å; F814-W879 HydrophobicContact CZ-CD2 4.43Å; F814-W879 AromaticContact CZ-CE3 3.68Å; F814-W879 HydrophobicContact CZ-CE3 3.68Å; F814-W879 HydrophobicContact CZ-CZ3 4.3Å; F814-L880 HydrophobicContact CD1-CB 3.77Å; F814-L880 HydrophobicContact CD1-CD1 4.24Å; F814-L880 HydrophobicContact CD1-CD2 3.93Å; F814-L880 HydrophobicContact CD1-CG 4.19Å; F814-L880 HydrophobicContact CE1-CB 3.72Å; F814-L880 HydrophobicContact CE1-CD2 4.41Å |
| 815 | Q | 77.8 | Confident | 83.1 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -28.7 | 175.5 | -74.1 | -179.5 | -19.5 | 0 | 0 | 112.9 | L811 R819 | L811-Q815 VanDerWaalsContact O-CB 3.27Å; L811-Q815 WeakPolarHBondContact O-CB 3.4Å; L811-Q815 VanDerWaalsContact O-CG 3.31Å; L811-Q815 WeakPolarHBondContact O-CG 3.14Å; L811-Q815 PolarHBondContact O-N 3.01Å; Q815-R819 PolarHBondContact O-N 3.47Å; Q815-R819 PolarHBondContact O-NE 3.25Å; Q815-R819 VanDerWaalsContact O-NE 3.08Å |
| 816 | R | 80 | Confident | 82.5 | Confident | 154 Ų | 154 | 67.2 Ų | 67.2 | 58% | 0.581 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 171.7 | -69.5 | 177.2 | 172.5 | -153.7 | -5.9 | 110.8 | F812 F814 | F812-R816 VanDerWaalsContact CZ-CZ 3.48Å; F812-R816 VanDerWaalsContact CZ-NH2 3.28Å; F814-R816 PolarHBondContact O-N 3.48Å |
| 817 | G | 83.3 | Confident | 82.1 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -51.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F814 R819 Q820 M821 | F814-G817 WeakPolarHBondContact O-CA 3.33Å; F814-G817 PolarHBondContact O-N 3.46Å; G817-R819 VanDerWaalsContact C-N 3.32Å; G817-R819 PolarHBondContact O-N 3.29Å; G817-Q820 PolarHBondContact O-N 3.08Å; G817-M821 WeakPolarHBondContact O-CG 3.39Å; G817-M821 PolarHBondContact O-N 2.92Å |
| 818 | I | 81.4 | Confident | 81.9 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55 | -46.5 | -178.5 | -65 | 164.8 | 0 | 0 | 0 | 111.4 | F814 Q820 M821 K822 F873 L880 T934 | F814-I818 HydrophobicContact CD1-CD1 3.4Å; F814-I818 VanDerWaalsContact CD1-CD1 3.4Å; F814-I818 HydrophobicContact CD1-CG1 3.59Å; F814-I818 HydrophobicContact CE1-CD1 3.6Å; F814-I818 HydrophobicContact CE1-CG1 3.47Å; F814-I818 VanDerWaalsContact CE1-CG1 3.47Å; F814-I818 HydrophobicContact CZ-CG1 4.39Å; F814-I818 WeakPolarHBondContact O-CG1 3.35Å; F814-I818 PolarHBondContact O-N 2.91Å; I818-Q820 VanDerWaalsContact C-N 3.33Å; I818-Q820 PolarHBondContact O-N 2.97Å; I818-M821 PolarHBondContact O-N 3.11Å; I818-K822 PolarHBondContact O-N 2.91Å; I818-F873 HydrophobicContact CG2-CD2 4.11Å; I818-F873 HydrophobicContact CG2-CE2 3.66Å; I818-L880 HydrophobicContact CD1-CD2 3.91Å; I818-T934 HydrophobicContact CG2-CG2 4.15Å |
| 819 | R | 75.8 | Confident | 81.8 | Confident | 90 Ų | 90 | 68.1 Ų | 68.1 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | -177.1 | -77.3 | 180 | -73.4 | -156.2 | -1.3 | 112.2 | Q815 G817 K822 K823 E937 | Q815-R819 PolarHBondContact O-N 3.47Å; Q815-R819 PolarHBondContact O-NE 3.25Å; Q815-R819 VanDerWaalsContact O-NE 3.08Å; G817-R819 VanDerWaalsContact C-N 3.32Å; G817-R819 PolarHBondContact O-N 3.29Å; R819-K822 PolarHBondContact O-N 3.08Å; R819-K823 PolarHBondContact O-N 2.89Å; R819-E937 WeakPolarHBondContact CD-OE1 3.21Å; R819-E937 IonicContact CZ-OE1 3.79Å; R819-E937 IonicContact NH1-OE1 2.96Å; R819-E937 PolarHBondContact NH1-OE1 3.45Å; R819-E937 IonicContact NH1-OE2 2.7Å; R819-E937 PolarHBondContact NH1-OE2 2.83Å |
| 820 | Q | 81.2 | Confident | 81.5 | Confident | 122 Ų | 122 | 66.5 Ų | 66.5 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -70.2 | -40.3 | 174.1 | -61.1 | -60.2 | -11.1 | 0 | 0 | 112.4 | G817 I818 K822 K823 M824 | G817-Q820 PolarHBondContact O-N 3.08Å; I818-Q820 VanDerWaalsContact C-N 3.33Å; I818-Q820 PolarHBondContact O-N 2.97Å; Q820-K822 VanDerWaalsContact C-N 3.31Å; Q820-K822 PolarHBondContact O-N 3.49Å; Q820-K823 PolarHBondContact O-N 2.67Å; Q820-M824 WeakPolarHBondContact O-CG 3.5Å; Q820-M824 PolarHBondContact O-N 3.42Å |
| 821 | M | 83.5 | Confident | 81.3 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 20% | 0.202 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 174.3 | -67.5 | 174.7 | -179.6 | 0 | 0 | 112.1 | G817 I818 M824 E825 L872 F873 | G817-M821 WeakPolarHBondContact O-CG 3.39Å; G817-M821 PolarHBondContact O-N 2.92Å; I818-M821 PolarHBondContact O-N 3.11Å; M821-M824 HydrophobicContact CG-CE 4.23Å; M821-M824 PolarHBondContact O-N 3.09Å; M821-E825 PolarHBondContact O-N 3.49Å; M821-L872 HydrophobicContact CE-CD1 4.16Å; M821-L872 HydrophobicContact CE-CD2 4.31Å; M821-L872 HydrophobicContact CE-CG 4.05Å; M821-L872 HydrophobicContact CG-CD2 4.22Å; M821-L872 HydrophobicContact CG-CG 4.23Å; M821-L872 HydrophobicContact SD-CG 4.02Å; M821-F873 HydrophobicContact CB-CB 4.11Å; M821-F873 HydrophobicContact CB-CD2 4.37Å |
| 822 | K | 79.1 | Confident | 81.4 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.3 | -34 | 177.1 | -166.7 | 47.7 | 161.3 | -179.7 | 0 | 112.8 | I818 R819 Q820 E825 N826 F873 | I818-K822 PolarHBondContact O-N 2.91Å; R819-K822 PolarHBondContact O-N 3.08Å; Q820-K822 VanDerWaalsContact C-N 3.31Å; Q820-K822 PolarHBondContact O-N 3.49Å; K822-E825 HydrophobicContact CD-CB 4.44Å; K822-E825 VanDerWaalsContact CD-OE2 3.25Å; K822-E825 WeakPolarHBondContact CD-OE2 3.25Å; K822-E825 IonicContact NZ-OE1 3.14Å; K822-E825 PolarHBondContact NZ-OE1 2.86Å; K822-E825 IonicContact NZ-OE2 2.98Å; K822-E825 PolarHBondContact NZ-OE2 3.07Å; K822-N826 PolarHBondContact O-N 3.46Å; K822-N826 VanDerWaalsContact O-N 3.11Å; K822-N826 PolarHBondContact O-ND2 2.65Å; K822-F873 HydrophobicContact CB-CD2 3.77Å; K822-F873 HydrophobicContact CB-CE2 3.72Å; K822-F873 HydrophobicContact CD-CD1 4.26Å; K822-F873 HydrophobicContact CD-CD2 3.99Å; K822-F873 HydrophobicContact CD-CE1 4.08Å; K822-F873 HydrophobicContact CD-CE2 3.78Å; K822-F873 HydrophobicContact CD-CG 4.23Å; K822-F873 HydrophobicContact CD-CZ 3.83Å; K822-F873 HydrophobicContact CG-CD2 4.33Å; K822-F873 HydrophobicContact CG-CE2 3.96Å; K822-F873 HydrophobicContact CG-CZ 4.35Å |
| 823 | K | 79.6 | Confident | 81.4 | Confident | 78 Ų | 78 | 64 Ų | 64 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 171.2 | -179.1 | 162.1 | 177.2 | 159.2 | 0 | 111.4 | S635 R819 Q820 E825 N826 I827 | S635-K823 PolarHBondContact OG-NZ 2.82Å; R819-K823 PolarHBondContact O-N 2.89Å; Q820-K823 PolarHBondContact O-N 2.67Å; K823-E825 PolarHBondContact O-N 3.31Å; K823-N826 PolarHBondContact O-N 2.87Å; K823-I827 HydrophobicContact CD-CD1 4.43Å; K823-I827 HydrophobicContact CG-CD1 3.75Å; K823-I827 HydrophobicContact CG-CG1 4.44Å; K823-I827 WeakPolarHBondContact O-CG1 3.19Å; K823-I827 PolarHBondContact O-N 2.91Å |
| 824 | M | 82.2 | Confident | 81.4 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 36% | 0.36 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 176.2 | -69.3 | -173.4 | -70.7 | 0 | 0 | 112.6 | Q820 M821 N826 I827 S828 H869 L872 | Q820-M824 WeakPolarHBondContact O-CG 3.5Å; Q820-M824 PolarHBondContact O-N 3.42Å; M821-M824 HydrophobicContact CG-CE 4.23Å; M821-M824 PolarHBondContact O-N 3.09Å; M824-N826 PolarHBondContact O-N 3.16Å; M824-I827 PolarHBondContact O-N 2.87Å; M824-S828 VanDerWaalsContact O-CB 3.32Å; M824-S828 WeakPolarHBondContact O-CB 3.46Å; M824-S828 PolarHBondContact O-N 2.77Å; M824-S828 PolarHBondContact O-OG 2.84Å; M824-H869 HydrophobicContact CB-CB 4.32Å; M824-L872 HydrophobicContact CE-CD2 4.34Å |
| 825 | E | 83.3 | Confident | 81.5 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.2 | -51.5 | 173.6 | -174 | -159.1 | 134.3 | 0 | 0 | 111.4 | M821 K822 K823 I827 S828 R829 Y870 F873 | M821-E825 PolarHBondContact O-N 3.49Å; K822-E825 HydrophobicContact CD-CB 4.44Å; K822-E825 VanDerWaalsContact CD-OE2 3.25Å; K822-E825 WeakPolarHBondContact CD-OE2 3.25Å; K822-E825 IonicContact NZ-OE1 3.14Å; K822-E825 PolarHBondContact NZ-OE1 2.86Å; K822-E825 IonicContact NZ-OE2 2.98Å; K822-E825 PolarHBondContact NZ-OE2 3.07Å; K823-E825 PolarHBondContact O-N 3.31Å; E825-I827 PolarHBondContact O-N 3.12Å; E825-S828 PolarHBondContact O-OG 3.02Å; E825-R829 PolarHBondContact O-N 2.82Å; E825-Y870 VanDerWaalsContact CD-CD2 3.49Å; E825-Y870 HydrophobicContact CG-CD2 3.68Å; E825-Y870 HydrophobicContact CG-CG 4.41Å; E825-Y870 WeakPolarHBondContact OE1-CD2 3.17Å; E825-Y870 WeakPolarHBondContact OE1-CE2 3.2Å; E825-F873 VanDerWaalsContact OE2-CD1 3.24Å; E825-F873 WeakPolarHBondContact OE2-CD1 3.32Å |
| 826 | N | 77.9 | Confident | 82 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | -177.6 | -73 | -20.4 | 0 | 0 | 0 | 112.9 | K822 K823 M824 | K822-N826 PolarHBondContact O-N 3.46Å; K822-N826 VanDerWaalsContact O-N 3.11Å; K822-N826 PolarHBondContact O-ND2 2.65Å; K823-N826 PolarHBondContact O-N 2.87Å; M824-N826 PolarHBondContact O-N 3.16Å |
| 827 | I | 79.8 | Confident | 82.3 | Confident | 102 Ų | 102 | 50.6 Ų | 50.6 | 52% | 0.523 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.2 | -51.4 | 178.4 | -68.1 | 170.4 | 0 | 0 | 0 | 110.5 | K823 M824 E825 R829 S830 P831 | K823-I827 HydrophobicContact CD-CD1 4.43Å; K823-I827 HydrophobicContact CG-CD1 3.75Å; K823-I827 HydrophobicContact CG-CG1 4.44Å; K823-I827 WeakPolarHBondContact O-CG1 3.19Å; K823-I827 PolarHBondContact O-N 2.91Å; M824-I827 PolarHBondContact O-N 2.87Å; E825-I827 PolarHBondContact O-N 3.12Å; I827-R829 PolarHBondContact O-N 3.17Å; I827-S830 PolarHBondContact O-N 3.03Å; I827-P831 VanDerWaalsContact O-CD 3.31Å; I827-P831 WeakPolarHBondContact O-CD 3.24Å |
| 828 | S | 84.3 | Confident | 82.3 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -18.9 | -177 | 62.9 | 0 | 0 | 0 | 0 | 114.5 | M824 E825 | M824-S828 VanDerWaalsContact O-CB 3.32Å; M824-S828 WeakPolarHBondContact O-CB 3.46Å; M824-S828 PolarHBondContact O-N 2.77Å; M824-S828 PolarHBondContact O-OG 2.84Å; E825-S828 PolarHBondContact O-OG 3.02Å |
| 829 | R | 82.5 | Confident | 82.7 | Confident | 108 Ų | 108 | 49.6 Ų | 49.6 | 41% | 0.408 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.5 | -32.4 | 174.5 | -171.9 | 178.3 | -177.9 | -174.2 | 0.4 | 113.4 | T100 E825 I827 C832 I833 | T100-R829 PolarHBondContact O-NH2 3.21Å; E825-R829 PolarHBondContact O-N 2.82Å; I827-R829 PolarHBondContact O-N 3.17Å; R829-C832 PolarHBondContact O-N 3.44Å; R829-I833 HydrophobicContact CG-CD1 4.12Å; R829-I833 PolarHBondContact O-N 3.32Å |
| 830 | S | 80.8 | Confident | 83.2 | Confident | 69 Ų | 69 | 45.5 Ų | 45.5 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.6 | -47.5 | -169.7 | -151.6 | 0 | 0 | 0 | 0 | 113.4 | I827 C832 I833 S834 | I827-S830 PolarHBondContact O-N 3.03Å; S830-C832 VanDerWaalsContact C-N 3.26Å; S830-C832 PolarHBondContact O-N 2.99Å; S830-I833 PolarHBondContact O-N 3.5Å; S830-S834 PolarHBondContact O-N 2.95Å |
| 831 | P | 83.4 | Confident | 83.3 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.7 | -33.6 | 178.4 | -26.9 | 36.9 | 0 | 0 | 0 | 113.9 | I827 I833 S834 L835 L862 | I827-P831 VanDerWaalsContact O-CD 3.31Å; I827-P831 WeakPolarHBondContact O-CD 3.24Å; P831-I833 VanDerWaalsContact C-N 3.33Å; P831-I833 PolarHBondContact O-N 3.14Å; P831-S834 PolarHBondContact O-N 3.23Å; P831-L835 WeakPolarHBondContact O-CB 3.25Å; P831-L835 PolarHBondContact O-N 3.45Å; P831-L862 HydrophobicContact CB-CD1 4.1Å; P831-L862 HydrophobicContact CB-CD2 4.15Å |
| 832 | C | 84.6 | Confident | 83.5 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | R829 S830 T836 | R829-C832 PolarHBondContact O-N 3.44Å; S830-C832 VanDerWaalsContact C-N 3.26Å; S830-C832 PolarHBondContact O-N 2.99Å; C832-T836 VanDerWaalsContact O-CB 3.28Å; C832-T836 WeakPolarHBondContact O-CB 3.46Å; C832-T836 PolarHBondContact O-N 3.36Å; C832-T836 PolarHBondContact O-OG1 3.35Å |
| 833 | I | 83.4 | Confident | 84 | Confident | 54 Ų | 54 | 39.2 Ų | 39.2 | 28% | 0.277 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -73.8 | -42.9 | 176.7 | -58.8 | 175 | 0 | 0 | 0 | 109.6 | T100 R829 S830 P831 T836 T837 | T100-I833 HydrophobicContact CG2-CB 4.31Å; T100-I833 HydrophobicContact CG2-CG1 3.8Å; T100-I833 HydrophobicContact CG2-CG2 4.34Å; R829-I833 HydrophobicContact CG-CD1 4.12Å; R829-I833 PolarHBondContact O-N 3.32Å; S830-I833 PolarHBondContact O-N 3.5Å; P831-I833 VanDerWaalsContact C-N 3.33Å; P831-I833 PolarHBondContact O-N 3.14Å; I833-T836 WeakPolarHBondContact O-CB 3.14Å; I833-T836 PolarHBondContact O-N 2.88Å; I833-T837 WeakPolarHBondContact O-CB 3.17Å; I833-T837 PolarHBondContact O-N 3.48Å; I833-T837 PolarHBondContact O-OG1 3.25Å |
| 834 | S | 82.2 | Confident | 84.4 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -56.1 | 177.7 | -163.8 | 0 | 0 | 0 | 0 | 111.9 | E432 S830 P831 T836 T837 S838 | E432-S834 WeakPolarHBondContact CG-OG 3.42Å; E432-S834 VanDerWaalsContact OE1-CA 3.26Å; E432-S834 WeakPolarHBondContact OE1-CA 3.4Å; E432-S834 WeakPolarHBondContact OE1-CB 3.36Å; E432-S834 PolarHBondContact OE1-OG 3.02Å; S830-S834 PolarHBondContact O-N 2.95Å; P831-S834 PolarHBondContact O-N 3.23Å; S834-T836 VanDerWaalsContact C-N 3.29Å; S834-T836 PolarHBondContact O-N 3.49Å; S834-T837 PolarHBondContact O-N 2.93Å; S834-T837 VanDerWaalsContact O-N 3.09Å; S834-S838 PolarHBondContact O-N 2.95Å; S834-S838 PolarHBondContact O-OG 2.97Å |
| 835 | L | 86.6 | Confident | 84.8 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 9% | 0.094 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -36.5 | 177.9 | 179.9 | 62.3 | 0 | 0 | 0 | 112.5 | P831 S838 T839 L858 F859 L862 | P831-L835 WeakPolarHBondContact O-CB 3.25Å; P831-L835 PolarHBondContact O-N 3.45Å; L835-S838 PolarHBondContact O-OG 3.26Å; L835-T839 WeakPolarHBondContact O-CB 3.4Å; L835-T839 PolarHBondContact O-N 3.37Å; L835-T839 PolarHBondContact O-OG1 2.86Å; L835-L858 HydrophobicContact CD1-CD2 4.02Å; L835-L858 HydrophobicContact CD2-CB 4.25Å; L835-L858 HydrophobicContact CD2-CD2 3.87Å; L835-L858 HydrophobicContact CD2-CG 3.8Å; L835-F859 HydrophobicContact CD2-CB 3.94Å; L835-F859 HydrophobicContact CD2-CD2 4.36Å; L835-L862 HydrophobicContact CB-CD1 4.47Å; L835-L862 HydrophobicContact CD2-CD1 3.83Å |
| 836 | T | 86.9 | Confident | 85.1 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 174.3 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | I96 L99 T100 C832 I833 S834 L840 | I96-T836 HydrophobicContact CG1-CG2 4.31Å; L99-T836 HydrophobicContact CB-CG2 3.96Å; L99-T836 HydrophobicContact CD1-CG2 3.42Å; L99-T836 VanDerWaalsContact CD1-CG2 3.42Å; L99-T836 HydrophobicContact CG-CG2 4.3Å; T100-T836 HydrophobicContact CG2-CG2 4.4Å; C832-T836 VanDerWaalsContact O-CB 3.28Å; C832-T836 WeakPolarHBondContact O-CB 3.46Å; C832-T836 PolarHBondContact O-N 3.36Å; C832-T836 PolarHBondContact O-OG1 3.35Å; I833-T836 WeakPolarHBondContact O-CB 3.14Å; I833-T836 PolarHBondContact O-N 2.88Å; S834-T836 VanDerWaalsContact C-N 3.29Å; S834-T836 PolarHBondContact O-N 3.49Å; T836-L840 HydrophobicContact CG2-CD1 4.04Å; T836-L840 WeakPolarHBondContact O-CB 3.05Å; T836-L840 WeakPolarHBondContact O-CG 3.24Å; T836-L840 PolarHBondContact O-N 3.35Å; T836-L840 VanDerWaalsContact O-N 3.08Å |
| 837 | T | 85.8 | Confident | 85.6 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -44 | -174.7 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | M92 I96 I833 S834 L840 Q841 | M92-T837 HydrophobicContact CE-CG2 3.82Å; M92-T837 WeakPolarHBondContact CE-O 3.27Å; I96-T837 HydrophobicContact CD1-CG2 4.14Å; I833-T837 WeakPolarHBondContact O-CB 3.17Å; I833-T837 PolarHBondContact O-N 3.48Å; I833-T837 PolarHBondContact O-OG1 3.25Å; S834-T837 PolarHBondContact O-N 2.93Å; S834-T837 VanDerWaalsContact O-N 3.09Å; T837-L840 PolarHBondContact O-N 2.91Å; T837-Q841 PolarHBondContact O-N 3.47Å; T837-Q841 VanDerWaalsContact O-N 3.14Å |
| 838 | S | 84.8 | Confident | 86 | Confident | 11 Ų | 11 | 24.8 Ų | 24.8 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 175.3 | 63 | 0 | 0 | 0 | 0 | 112 | W385 S834 L835 L840 Q841 G842 | W385-S838 WeakPolarHBondContact CZ2-O 3.45Å; W385-S838 PolarHBondContact NE1-O 3.47Å; S834-S838 PolarHBondContact O-N 2.95Å; S834-S838 PolarHBondContact O-OG 2.97Å; L835-S838 PolarHBondContact O-OG 3.26Å; S838-L840 VanDerWaalsContact C-N 3.31Å; S838-L840 PolarHBondContact O-N 3.14Å; S838-Q841 PolarHBondContact O-N 3.45Å; S838-Q841 VanDerWaalsContact O-N 3.17Å; S838-G842 PolarHBondContact O-N 2.97Å |
| 839 | T | 88.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | F78 I82 L835 G842 L843 I846 H855 | F78-T839 HydrophobicContact CE2-CG2 4.16Å; F78-T839 HydrophobicContact CZ-CG2 3.89Å; I82-T839 HydrophobicContact CB-CG2 4.34Å; I82-T839 HydrophobicContact CD1-CG2 3.76Å; I82-T839 HydrophobicContact CG1-CG2 3.8Å; L835-T839 WeakPolarHBondContact O-CB 3.4Å; L835-T839 PolarHBondContact O-N 3.37Å; L835-T839 PolarHBondContact O-OG1 2.86Å; T839-G842 PolarHBondContact O-N 2.85Å; T839-L843 HydrophobicContact CG2-CD2 4.3Å; T839-L843 WeakPolarHBondContact O-CG 3.44Å; T839-L843 PolarHBondContact O-N 3.23Å; T839-I846 HydrophobicContact CG2-CD1 3.91Å; T839-H855 PolarHBondContact OG1-ND1 3.15Å |
| 840 | L | 86.4 | Confident | 86.4 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 176.6 | -84.3 | 166.7 | 0 | 0 | 0 | 112.9 | V81 M92 M95 I96 T836 T837 S838 G842 | V81-L840 HydrophobicContact CG1-CD2 3.41Å; V81-L840 VanDerWaalsContact CG1-CD2 3.41Å; V81-L840 HydrophobicContact CG1-CG 4.01Å; M92-L840 HydrophobicContact CE-CB 3.49Å; M92-L840 VanDerWaalsContact CE-CB 3.49Å; M92-L840 HydrophobicContact CE-CD1 4.45Å; M92-L840 HydrophobicContact CG-CB 4.1Å; M92-L840 HydrophobicContact CG-CD1 4.19Å; M95-L840 HydrophobicContact CB-CD1 3.93Å; M95-L840 HydrophobicContact CB-CD2 4.03Å; M95-L840 HydrophobicContact CG-CD2 4.44Å; M95-L840 HydrophobicContact SD-CD2 3.6Å; M95-L840 VanDerWaalsContact SD-CD2 3.6Å; I96-L840 HydrophobicContact CD1-CD1 4.48Å; I96-L840 HydrophobicContact CG1-CD1 3.54Å; T836-L840 HydrophobicContact CG2-CD1 4.04Å; T836-L840 WeakPolarHBondContact O-CB 3.05Å; T836-L840 WeakPolarHBondContact O-CG 3.24Å; T836-L840 PolarHBondContact O-N 3.35Å; T836-L840 VanDerWaalsContact O-N 3.08Å; T837-L840 PolarHBondContact O-N 2.91Å; S838-L840 VanDerWaalsContact C-N 3.31Å; S838-L840 PolarHBondContact O-N 3.14Å; L840-G842 VanDerWaalsContact C-N 3.31Å |
| 841 | Q | 84.7 | Confident | 86.7 | Confident | 78 Ų | 78 | 23.4 Ų | 23.4 | 36% | 0.364 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -69.4 | -27.2 | 175.9 | -94.4 | 168.2 | -25.3 | 0 | 0 | 113.4 | M92 T837 S838 | M92-Q841 HydrophobicContact CE-CB 4.34Å; M92-Q841 HydrophobicContact CE-CG 3.64Å; M92-Q841 HydrophobicContact SD-CG 4.31Å; T837-Q841 PolarHBondContact O-N 3.47Å; T837-Q841 VanDerWaalsContact O-N 3.14Å; S838-Q841 PolarHBondContact O-N 3.45Å; S838-Q841 VanDerWaalsContact O-N 3.17Å |
| 842 | G | 87.4 | Confident | 87 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 17.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S838 T839 L840 S844 T845 I846 | S838-G842 PolarHBondContact O-N 2.97Å; T839-G842 PolarHBondContact O-N 2.85Å; L840-G842 VanDerWaalsContact C-N 3.31Å; G842-S844 VanDerWaalsContact C-N 3.34Å; G842-S844 PolarHBondContact O-N 3.37Å; G842-T845 WeakPolarHBondContact O-CB 3.47Å; G842-T845 PolarHBondContact O-N 2.98Å; G842-T845 VanDerWaalsContact O-N 3.13Å; G842-I846 WeakPolarHBondContact O-CB 3.45Å; G842-I846 WeakPolarHBondContact O-CG1 3.34Å; G842-I846 PolarHBondContact O-N 3.27Å |
| 843 | L | 88.3 | Confident | 87.3 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57 | -43.5 | -172.8 | -74.9 | 178.3 | 0 | 0 | 0 | 113.2 | I82 H87 T839 T845 I846 H847 | I82-L843 HydrophobicContact CG1-CD2 4.25Å; H87-L843 VanDerWaalsContact CE1-CD1 3.41Å; H87-L843 WeakPolarHBondContact CE1-CD1 3.32Å; T839-L843 HydrophobicContact CG2-CD2 4.3Å; T839-L843 WeakPolarHBondContact O-CG 3.44Å; T839-L843 PolarHBondContact O-N 3.23Å; L843-T845 PolarHBondContact O-N 3.05Å; L843-I846 PolarHBondContact O-N 3.48Å; L843-H847 WeakPolarHBondContact O-CB 3.39Å; L843-H847 PolarHBondContact O-CD2 2.98Å; L843-H847 VanDerWaalsContact O-CG 3.29Å; L843-H847 PolarHBondContact O-N 2.72Å |
| 844 | S | 88.4 | Confident | 87.6 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.5 | -49.9 | 174.8 | 47.2 | 0 | 0 | 0 | 0 | 111.7 | G842 H847 A848 | G842-S844 VanDerWaalsContact C-N 3.34Å; G842-S844 PolarHBondContact O-N 3.37Å; S844-H847 PolarHBondContact O-N 3.41Å; S844-A848 WeakPolarHBondContact O-CB 3.49Å; S844-A848 PolarHBondContact O-N 3.13Å |
| 845 | T | 90.1 | Very high | 88 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -49.6 | 177.1 | -33.5 | 0 | 0 | 0 | 0 | 111.5 | W385 M397 G842 L843 H847 A848 Y849 | W385-T845 HydrophobicContact CE3-CG2 3.95Å; W385-T845 HydrophobicContact CZ3-CG2 4.43Å; M397-T845 HydrophobicContact CE-CG2 3.91Å; G842-T845 WeakPolarHBondContact O-CB 3.47Å; G842-T845 PolarHBondContact O-N 2.98Å; G842-T845 VanDerWaalsContact O-N 3.13Å; L843-T845 PolarHBondContact O-N 3.05Å; T845-H847 PolarHBondContact O-N 3.31Å; T845-A848 PolarHBondContact O-N 3.47Å; T845-Y849 HydrophobicContact CG2-CD2 3.82Å; T845-Y849 HydrophobicContact CG2-CE2 3.6Å; T845-Y849 WeakPolarHBondContact O-CD2 3.38Å; T845-Y849 PolarHBondContact O-N 2.95Å |
| 846 | I | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -29.9 | 179.9 | -72.1 | 171.1 | 0 | 0 | 0 | 112.1 | I82 W385 T839 G842 L843 N850 I851 R852 | I82-I846 HydrophobicContact CD1-CG2 4.2Å; I82-I846 HydrophobicContact CG1-CG2 4.23Å; W385-I846 HydrophobicContact CH2-CD1 3.82Å; W385-I846 HydrophobicContact CH2-CG1 3.83Å; W385-I846 HydrophobicContact CZ2-CD1 3.99Å; W385-I846 HydrophobicContact CZ2-CG1 4.42Å; W385-I846 HydrophobicContact CZ3-CG1 4.23Å; T839-I846 HydrophobicContact CG2-CD1 3.91Å; G842-I846 WeakPolarHBondContact O-CB 3.45Å; G842-I846 WeakPolarHBondContact O-CG1 3.34Å; G842-I846 PolarHBondContact O-N 3.27Å; L843-I846 PolarHBondContact O-N 3.48Å; I846-N850 WeakPolarHBondContact O-CA 3.31Å; I846-N850 PolarHBondContact O-N 2.88Å; I846-I851 HydrophobicContact CB-CG1 4.44Å; I846-I851 HydrophobicContact CG1-CD1 4.37Å; I846-I851 HydrophobicContact CG1-CG1 4.36Å; I846-I851 HydrophobicContact CG2-CG1 4.16Å; I846-I851 PolarHBondContact O-N 3.41Å; I846-R852 HydrophobicContact CG2-CG 3.79Å |
| 847 | H | 88.1 | Confident | 88.5 | Confident | 25 Ų | 25 | 38 Ų | 38 | 12% | 0.116 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -78.1 | -45.2 | 175.2 | -74.9 | -145.2 | 0 | 0 | 0 | 111.3 | I82 L84 L843 S844 T845 Y849 N850 | I82-H847 PolarHBondContact O-NE2 3.39Å; L84-H847 PolarHBondContact O-CE1 2.96Å; L843-H847 WeakPolarHBondContact O-CB 3.39Å; L843-H847 PolarHBondContact O-CD2 2.98Å; L843-H847 VanDerWaalsContact O-CG 3.29Å; L843-H847 PolarHBondContact O-N 2.72Å; S844-H847 PolarHBondContact O-N 3.41Å; T845-H847 PolarHBondContact O-N 3.31Å; H847-Y849 PolarHBondContact O-N 3.43Å; H847-N850 WeakPolarHBondContact O-CA 3.47Å; H847-N850 PolarHBondContact O-N 3.16Å |
| 848 | A | 88.2 | Confident | 88.8 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L361 S844 T845 N850 | L361-A848 HydrophobicContact CD2-CB 3.93Å; S844-A848 WeakPolarHBondContact O-CB 3.49Å; S844-A848 PolarHBondContact O-N 3.13Å; T845-A848 PolarHBondContact O-N 3.47Å; A848-N850 VanDerWaalsContact C-N 3.26Å; A848-N850 PolarHBondContact O-N 3.2Å |
| 849 | Y | 88.6 | Confident | 89.1 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -0.2 | 176.3 | -59.9 | -77.7 | 0 | 0 | 0 | 113.6 | A378 Y379 M397 A450 A453 K455 T845 H847 I851 | A378-Y849 HydrophobicContact CB-CE1 3.92Å; Y379-Y849 PolarHBondContact N-OH 2.84Å; Y379-Y849 VanDerWaalsContact N-OH 3.1Å; Y379-Y849 PolarHBondContact O-OH 3.07Å; M397-Y849 HydrophobicContact CE-CD2 3.55Å; M397-Y849 HydrophobicContact CE-CE2 4.24Å; M397-Y849 HydrophobicContact CE-CG 4.13Å; M397-Y849 HydrophobicContact SD-CD1 4.26Å; M397-Y849 HydrophobicContact SD-CD2 3.54Å; M397-Y849 VanDerWaalsContact SD-CD2 3.54Å; M397-Y849 HydrophobicContact SD-CE2 4.18Å; M397-Y849 HydrophobicContact SD-CG 3.6Å; A450-Y849 WeakPolarHBondContact CA-OH 3.2Å; A450-Y849 WeakPolarHBondContact CB-OH 3.47Å; A453-Y849 HydrophobicContact CB-CD1 4Å; A453-Y849 HydrophobicContact CB-CE1 3.59Å; K455-Y849 HydrophobicContact CG-CD1 4.5Å; K455-Y849 HydrophobicContact CG-CE1 4.38Å; T845-Y849 HydrophobicContact CG2-CD2 3.82Å; T845-Y849 HydrophobicContact CG2-CE2 3.6Å; T845-Y849 WeakPolarHBondContact O-CD2 3.38Å; T845-Y849 PolarHBondContact O-N 2.95Å; H847-Y849 PolarHBondContact O-N 3.43Å; Y849-I851 WeakPolarHBondContact O-CG2 3.42Å; Y849-I851 PolarHBondContact O-N 3.07Å; Y849-I851 VanDerWaalsContact O-N 3.09Å |
| 850 | N | 86.4 | Confident | 89.3 | Confident | 103 Ų | 103 | 44.7 Ų | 44.7 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 24.8 | 178.4 | -163.9 | 28.9 | 0 | 0 | 0 | 116.5 | I846 H847 A848 R852 | I846-N850 WeakPolarHBondContact O-CA 3.31Å; I846-N850 PolarHBondContact O-N 2.88Å; H847-N850 WeakPolarHBondContact O-CA 3.47Å; H847-N850 PolarHBondContact O-N 3.16Å; A848-N850 VanDerWaalsContact C-N 3.26Å; A848-N850 PolarHBondContact O-N 3.2Å; N850-R852 PolarHBondContact O-N 3.15Å; N850-R852 VanDerWaalsContact O-N 3.09Å; N850-R852 PolarHBondContact OD1-NE 2.89Å; N850-R852 PolarHBondContact OD1-NH2 3.38Å |
| 851 | I | 87.9 | Confident | 89.7 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | trans | -79.2 | 12.6 | -174.4 | 62.2 | 174 | 0 | 0 | 0 | 115.2 | M397 I846 Y849 D853 S854 H855 | M397-I851 HydrophobicContact CE-CD1 3.55Å; M397-I851 HydrophobicContact CG-CD1 3.97Å; M397-I851 HydrophobicContact SD-CD1 3.94Å; I846-I851 HydrophobicContact CB-CG1 4.44Å; I846-I851 HydrophobicContact CG1-CD1 4.37Å; I846-I851 HydrophobicContact CG1-CG1 4.36Å; I846-I851 HydrophobicContact CG2-CG1 4.16Å; I846-I851 PolarHBondContact O-N 3.41Å; Y849-I851 WeakPolarHBondContact O-CG2 3.42Å; Y849-I851 PolarHBondContact O-N 3.07Å; Y849-I851 VanDerWaalsContact O-N 3.09Å; I851-D853 PolarHBondContact O-N 3.24Å; I851-S854 VanDerWaalsContact O-CB 3.31Å; I851-S854 WeakPolarHBondContact O-CB 3.39Å; I851-S854 PolarHBondContact O-N 3.48Å; I851-H855 WeakPolarHBondContact CD1-NE2 3.39Å; I851-H855 PolarHBondContact O-N 3.46Å | ||
| 852 | R | 90.2 | Very high | 90 | Very high | 85 Ų | 85 | 45.6 Ų | 45.6 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -50.7 | -45.8 | -170.9 | -67.1 | 174.8 | -69.5 | 176.8 | -1.3 | 113.9 | I82 I846 N850 S854 H855 I856 | I82-R852 HydrophobicContact CD1-CB 4.38Å; I82-R852 HydrophobicContact CG1-CG 4.33Å; I846-R852 HydrophobicContact CG2-CG 3.79Å; N850-R852 PolarHBondContact O-N 3.15Å; N850-R852 VanDerWaalsContact O-N 3.09Å; N850-R852 PolarHBondContact OD1-NE 2.89Å; N850-R852 PolarHBondContact OD1-NH2 3.38Å; R852-S854 VanDerWaalsContact C-N 3.28Å; R852-S854 PolarHBondContact O-N 2.88Å; R852-H855 PolarHBondContact O-N 2.86Å; R852-I856 WeakPolarHBondContact O-CG1 3.35Å; R852-I856 PolarHBondContact O-N 3.27Å |
| 853 | D | 91.1 | Very high | 90.1 | Very high | 107 Ų | 107 | 45.8 Ų | 45.8 | 57% | 0.572 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.1 | -26.2 | -178.9 | -81.6 | -43.6 | 0 | 0 | 0 | 113.9 | I851 K857 | I851-D853 PolarHBondContact O-N 3.24Å; D853-K857 WeakPolarHBondContact O-CD 3.31Å; D853-K857 WeakPolarHBondContact O-CG 3.45Å; D853-K857 PolarHBondContact O-N 2.86Å; D853-K857 VanDerWaalsContact O-N 3.08Å |
| 854 | S | 89.3 | Confident | 90.3 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.8 | -49.6 | 174 | -165.6 | 0 | 0 | 0 | 0 | 110.1 | I851 R852 I856 K857 L858 | I851-S854 VanDerWaalsContact O-CB 3.31Å; I851-S854 WeakPolarHBondContact O-CB 3.39Å; I851-S854 PolarHBondContact O-N 3.48Å; R852-S854 VanDerWaalsContact C-N 3.28Å; R852-S854 PolarHBondContact O-N 2.88Å; S854-I856 VanDerWaalsContact C-N 3.34Å; S854-I856 PolarHBondContact O-N 3.32Å; S854-K857 PolarHBondContact O-N 3.21Å; S854-L858 WeakPolarHBondContact O-CB 3.15Å; S854-L858 PolarHBondContact O-N 3.1Å |
| 855 | H | 89.7 | Confident | 90.4 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -37.8 | 175.9 | -76.7 | -108.8 | 0 | 0 | 0 | 112.6 | I82 T839 I851 R852 L858 F859 | I82-H855 HydrophobicContact CD1-CB 3.5Å; I82-H855 VanDerWaalsContact CD1-CB 3.5Å; T839-H855 PolarHBondContact OG1-ND1 3.15Å; I851-H855 WeakPolarHBondContact CD1-NE2 3.39Å; I851-H855 PolarHBondContact O-N 3.46Å; R852-H855 PolarHBondContact O-N 2.86Å; H855-L858 PolarHBondContact O-N 3.35Å; H855-F859 WeakPolarHBondContact O-CB 3.23Å; H855-F859 PolarHBondContact O-N 2.9Å |
| 856 | I | 92.6 | Very high | 90.4 | Very high | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.087 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 174.8 | -68.2 | 166 | 0 | 0 | 0 | 111.5 | F78 Q79 I82 R852 S854 K860 | F78-I856 HydrophobicContact CD1-CG1 4.36Å; F78-I856 HydrophobicContact CE1-CG1 4.27Å; Q79-I856 HydrophobicContact CG-CD1 4.34Å; Q79-I856 HydrophobicContact CG-CG1 4.35Å; Q79-I856 HydrophobicContact CG-CG2 3.88Å; I82-I856 HydrophobicContact CD1-CG1 4.43Å; I82-I856 HydrophobicContact CG2-CD1 3.76Å; I82-I856 HydrophobicContact CG2-CG1 3.73Å; R852-I856 WeakPolarHBondContact O-CG1 3.35Å; R852-I856 PolarHBondContact O-N 3.27Å; S854-I856 VanDerWaalsContact C-N 3.34Å; S854-I856 PolarHBondContact O-N 3.32Å; I856-K860 HydrophobicContact CG2-CD 4.15Å; I856-K860 VanDerWaalsContact O-CG 3.32Å; I856-K860 WeakPolarHBondContact O-CG 3.31Å; I856-K860 PolarHBondContact O-N 3.04Å; I856-K860 VanDerWaalsContact O-N 3.11Å |
| 857 | K | 92.7 | Very high | 90.4 | Very high | 148 Ų | 148 | 53.8 Ų | 53.8 | 64% | 0.643 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.9 | -44 | 177 | -71.4 | 162.6 | -171.2 | 166.6 | 0 | 111.4 | D853 S854 K860 S861 | D853-K857 WeakPolarHBondContact O-CD 3.31Å; D853-K857 WeakPolarHBondContact O-CG 3.45Å; D853-K857 PolarHBondContact O-N 2.86Å; D853-K857 VanDerWaalsContact O-N 3.08Å; S854-K857 PolarHBondContact O-N 3.21Å; K857-K860 PolarHBondContact O-N 3.26Å; K857-S861 PolarHBondContact O-N 3.3Å |
| 858 | L | 90.9 | Very high | 90.5 | Very high | 87 Ų | 87 | 57.7 Ų | 57.7 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 176.5 | -177.4 | 62.9 | 0 | 0 | 0 | 111.6 | L835 S854 H855 K860 S861 L862 | L835-L858 HydrophobicContact CD1-CD2 4.02Å; L835-L858 HydrophobicContact CD2-CB 4.25Å; L835-L858 HydrophobicContact CD2-CD2 3.87Å; L835-L858 HydrophobicContact CD2-CG 3.8Å; S854-L858 WeakPolarHBondContact O-CB 3.15Å; S854-L858 PolarHBondContact O-N 3.1Å; H855-L858 PolarHBondContact O-N 3.35Å; L858-K860 VanDerWaalsContact C-N 3.34Å; L858-K860 PolarHBondContact O-N 3.28Å; L858-S861 WeakPolarHBondContact O-CB 3.18Å; L858-S861 PolarHBondContact O-N 2.99Å; L858-L862 HydrophobicContact CD1-CD1 4.44Å; L858-L862 HydrophobicContact CD1-CG 4.48Å; L858-L862 HydrophobicContact CG-CD1 4.26Å; L858-L862 WeakPolarHBondContact O-CG 3.49Å; L858-L862 PolarHBondContact O-N 3.13Å |
| 859 | F | 92.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.6 | -178.1 | -90.7 | 0 | 0 | 0 | 112.2 | F78 L835 H855 L862 N863 | F78-F859 HydrophobicContact CB-CD1 3.72Å; F78-F859 HydrophobicContact CB-CD2 4.46Å; F78-F859 HydrophobicContact CB-CE1 3.62Å; F78-F859 HydrophobicContact CB-CE2 4.36Å; F78-F859 HydrophobicContact CB-CG 4.16Å; F78-F859 HydrophobicContact CB-CZ 3.96Å; F78-F859 HydrophobicContact CD1-CB 3.77Å; F78-F859 AromaticContact CD1-CD1 3.92Å; F78-F859 HydrophobicContact CD1-CD1 3.92Å; F78-F859 HydrophobicContact CD1-CD2 4.3Å; F78-F859 AromaticContact CD1-CG 3.72Å; F78-F859 HydrophobicContact CD1-CG 3.72Å; F78-F859 HydrophobicContact CD2-CB 4.37Å; F78-F859 HydrophobicContact CD2-CD1 4.17Å; F78-F859 AromaticContact CD2-CD2 3.43Å; F78-F859 HydrophobicContact CD2-CD2 3.43Å; F78-F859 VanDerWaalsContact CD2-CD2 3.43Å; F78-F859 HydrophobicContact CD2-CE1 4.36Å; F78-F859 AromaticContact CD2-CE2 3.64Å; F78-F859 HydrophobicContact CD2-CE2 3.64Å; F78-F859 AromaticContact CD2-CG 3.71Å; F78-F859 HydrophobicContact CD2-CG 3.71Å; F78-F859 HydrophobicContact CD2-CZ 4.11Å; F78-F859 HydrophobicContact CE1-CB 3.62Å; F78-F859 HydrophobicContact CE1-CD2 4.44Å; F78-F859 AromaticContact CE1-CG 3.99Å; F78-F859 HydrophobicContact CE1-CG 3.99Å; F78-F859 HydrophobicContact CE2-CB 4.24Å; F78-F859 AromaticContact CE2-CD2 3.61Å; F78-F859 HydrophobicContact CE2-CD2 3.61Å; F78-F859 HydrophobicContact CE2-CE2 4.18Å; F78-F859 AromaticContact CE2-CG 3.98Å; F78-F859 HydrophobicContact CE2-CG 3.98Å; F78-F859 HydrophobicContact CG-CB 4.15Å; F78-F859 AromaticContact CG-CD1 3.66Å; F78-F859 HydrophobicContact CG-CD1 3.66Å; F78-F859 AromaticContact CG-CD2 3.81Å; F78-F859 HydrophobicContact CG-CD2 3.81Å; F78-F859 AromaticContact CG-CE1 3.98Å; F78-F859 HydrophobicContact CG-CE1 3.98Å; F78-F859 HydrophobicContact CG-CE2 4.1Å; F78-F859 AromaticContact CG-CG 3.57Å; F78-F859 HydrophobicContact CG-CG 3.57Å; F78-F859 HydrophobicContact CG-CZ 4.18Å; F78-F859 HydrophobicContact CZ-CB 3.87Å; F78-F859 HydrophobicContact CZ-CD2 4.12Å; F78-F859 HydrophobicContact CZ-CG 4.11Å; L835-F859 HydrophobicContact CD2-CB 3.94Å; L835-F859 HydrophobicContact CD2-CD2 4.36Å; H855-F859 WeakPolarHBondContact O-CB 3.23Å; H855-F859 PolarHBondContact O-N 2.9Å; F859-L862 PolarHBondContact O-N 2.74Å; F859-N863 HydrophobicContact CE1-CB 4.29Å; F859-N863 WeakPolarHBondContact O-CB 3.33Å; F859-N863 PolarHBondContact O-N 3.04Å |
| 860 | K | 92.6 | Very high | 90.5 | Very high | 73 Ų | 73 | 58.6 Ų | 58.6 | 32% | 0.317 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 176 | -75.4 | 172.2 | 179.8 | 178.4 | 0 | 111.4 | I856 K857 L858 L862 N863 D864 | I856-K860 HydrophobicContact CG2-CD 4.15Å; I856-K860 VanDerWaalsContact O-CG 3.32Å; I856-K860 WeakPolarHBondContact O-CG 3.31Å; I856-K860 PolarHBondContact O-N 3.04Å; I856-K860 VanDerWaalsContact O-N 3.11Å; K857-K860 PolarHBondContact O-N 3.26Å; L858-K860 VanDerWaalsContact C-N 3.34Å; L858-K860 PolarHBondContact O-N 3.28Å; K860-L862 PolarHBondContact O-N 3.18Å; K860-N863 PolarHBondContact O-N 3.31Å; K860-D864 WeakPolarHBondContact O-CB 3.38Å; K860-D864 PolarHBondContact O-N 3.29Å |
| 861 | S | 93.3 | Very high | 90.7 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.5 | -50.3 | 176.6 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | K857 L858 N863 D864 I865 | K857-S861 PolarHBondContact O-N 3.3Å; L858-S861 WeakPolarHBondContact O-CB 3.18Å; L858-S861 PolarHBondContact O-N 2.99Å; S861-N863 PolarHBondContact O-N 3.39Å; S861-D864 PolarHBondContact O-N 3.32Å; S861-I865 WeakPolarHBondContact O-CG1 3.49Å; S861-I865 PolarHBondContact O-N 2.91Å |
| 862 | L | 91.2 | Very high | 90.8 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 19% | 0.194 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 178 | -64.5 | 174.8 | 0 | 0 | 0 | 112.2 | P831 L835 L858 F859 K860 I865 N866 | P831-L862 HydrophobicContact CB-CD1 4.1Å; P831-L862 HydrophobicContact CB-CD2 4.15Å; L835-L862 HydrophobicContact CB-CD1 4.47Å; L835-L862 HydrophobicContact CD2-CD1 3.83Å; L858-L862 HydrophobicContact CD1-CD1 4.44Å; L858-L862 HydrophobicContact CD1-CG 4.48Å; L858-L862 HydrophobicContact CG-CD1 4.26Å; L858-L862 WeakPolarHBondContact O-CG 3.49Å; L858-L862 PolarHBondContact O-N 3.13Å; F859-L862 PolarHBondContact O-N 2.74Å; K860-L862 PolarHBondContact O-N 3.18Å; L862-I865 PolarHBondContact O-N 2.72Å; L862-N866 VanDerWaalsContact O-CB 3.31Å; L862-N866 WeakPolarHBondContact O-CB 3.18Å; L862-N866 PolarHBondContact O-N 3.13Å |
| 863 | N | 90.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -34.8 | 178.1 | -171.2 | 35 | 0 | 0 | 0 | 112.5 | G71 S75 F859 K860 S861 S867 | G71-N863 PolarHBondContact O-ND2 3.47Å; G71-N863 VanDerWaalsContact O-ND2 3.13Å; S75-N863 PolarHBondContact OG-ND2 2.9Å; F859-N863 HydrophobicContact CE1-CB 4.29Å; F859-N863 WeakPolarHBondContact O-CB 3.33Å; F859-N863 PolarHBondContact O-N 3.04Å; K860-N863 PolarHBondContact O-N 3.31Å; S861-N863 PolarHBondContact O-N 3.39Å; N863-S867 WeakPolarHBondContact O-CB 3.25Å; N863-S867 PolarHBondContact O-N 2.71Å; N863-S867 PolarHBondContact O-OG 3.5Å |
| 864 | D | 91.9 | Very high | 90.5 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69 | -44.3 | 174.7 | -72.9 | -30 | 0 | 0 | 0 | 111.3 | K860 S861 S867 N868 | K860-D864 WeakPolarHBondContact O-CB 3.38Å; K860-D864 PolarHBondContact O-N 3.29Å; S861-D864 PolarHBondContact O-N 3.32Å; D864-S867 PolarHBondContact O-N 3.27Å; D864-N868 WeakPolarHBondContact O-CB 3.39Å; D864-N868 VanDerWaalsContact O-CG 3.24Å; D864-N868 PolarHBondContact O-N 3.16Å; D864-N868 PolarHBondContact O-ND2 3.37Å; D864-N868 VanDerWaalsContact O-ND2 3.15Å |
| 865 | I | 91.4 | Very high | 90.5 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 40% | 0.395 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.8 | -53.2 | 173.5 | -68.4 | 164.3 | 0 | 0 | 0 | 110.6 | S861 L862 S867 N868 H869 | S861-I865 WeakPolarHBondContact O-CG1 3.49Å; S861-I865 PolarHBondContact O-N 2.91Å; L862-I865 PolarHBondContact O-N 2.72Å; I865-S867 VanDerWaalsContact C-N 3.34Å; I865-S867 PolarHBondContact O-N 2.86Å; I865-N868 PolarHBondContact O-N 3.2Å; I865-H869 PolarHBondContact O-CD2 3Å; I865-H869 PolarHBondContact O-N 3.41Å |
| 866 | N | 89.9 | Confident | 90.4 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.064 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 176 | 171.6 | 43.2 | 0 | 0 | 0 | 112.3 | L862 Y870 | L862-N866 VanDerWaalsContact O-CB 3.31Å; L862-N866 WeakPolarHBondContact O-CB 3.18Å; L862-N866 PolarHBondContact O-N 3.13Å; N866-Y870 WeakPolarHBondContact O-CB 3.37Å; N866-Y870 PolarHBondContact O-N 3.44Å |
| 867 | S | 89.8 | Confident | 90 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 178.5 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | N863 D864 I865 L871 | N863-S867 WeakPolarHBondContact O-CB 3.25Å; N863-S867 PolarHBondContact O-N 2.71Å; N863-S867 PolarHBondContact O-OG 3.5Å; D864-S867 PolarHBondContact O-N 3.27Å; I865-S867 VanDerWaalsContact C-N 3.34Å; I865-S867 PolarHBondContact O-N 2.86Å; S867-L871 VanDerWaalsContact O-CB 3.27Å; S867-L871 WeakPolarHBondContact O-CB 3.27Å; S867-L871 PolarHBondContact O-N 2.69Å |
| 868 | N | 90.8 | Very high | 89.8 | Confident | 106 Ų | 106 | 44.9 Ų | 44.9 | 57% | 0.567 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -68.5 | -47.1 | 176.1 | -75 | -32.7 | 0 | 0 | 0 | 112.1 | D864 I865 Y870 L871 L872 | D864-N868 WeakPolarHBondContact O-CB 3.39Å; D864-N868 VanDerWaalsContact O-CG 3.24Å; D864-N868 PolarHBondContact O-N 3.16Å; D864-N868 PolarHBondContact O-ND2 3.37Å; D864-N868 VanDerWaalsContact O-ND2 3.15Å; I865-N868 PolarHBondContact O-N 3.2Å; N868-Y870 VanDerWaalsContact C-N 3.34Å; N868-Y870 PolarHBondContact O-N 2.92Å; N868-L871 PolarHBondContact O-N 2.92Å; N868-L872 WeakPolarHBondContact O-CB 3.18Å; N868-L872 PolarHBondContact O-N 3.37Å |
| 869 | H | 89.8 | Confident | 89.6 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.3 | -66.5 | -59.7 | 0 | 0 | 0 | 112.1 | M824 I865 L872 F873 | M824-H869 HydrophobicContact CB-CB 4.32Å; I865-H869 PolarHBondContact O-CD2 3Å; I865-H869 PolarHBondContact O-N 3.41Å; H869-L872 PolarHBondContact O-N 3.35Å; H869-F873 PolarHBondContact O-N 3.34Å |
| 870 | Y | 87.1 | Confident | 89.4 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 175.8 | -166.8 | -87.7 | 0 | 0 | 0 | 112 | H104 F107 E825 N866 N868 H874 | H104-Y870 PolarHBondContact CE1-OH 3.37Å; F107-Y870 HydrophobicContact CD1-CE1 4.28Å; F107-Y870 WeakPolarHBondContact CD1-OH 3.35Å; F107-Y870 AromaticContact CD2-CE1 3.93Å; F107-Y870 HydrophobicContact CD2-CE1 3.93Å; F107-Y870 AromaticContact CE1-CE1 3.91Å; F107-Y870 HydrophobicContact CE1-CE1 3.91Å; F107-Y870 WeakPolarHBondContact CE1-OH 3.42Å; F107-Y870 HydrophobicContact CE2-CD1 4.38Å; F107-Y870 AromaticContact CE2-CE1 3.58Å; F107-Y870 HydrophobicContact CE2-CE1 3.58Å; F107-Y870 HydrophobicContact CG-CE1 4.31Å; F107-Y870 AromaticContact CZ-CE1 3.57Å; F107-Y870 HydrophobicContact CZ-CE1 3.57Å; E825-Y870 VanDerWaalsContact CD-CD2 3.49Å; E825-Y870 HydrophobicContact CG-CD2 3.68Å; E825-Y870 HydrophobicContact CG-CG 4.41Å; E825-Y870 WeakPolarHBondContact OE1-CD2 3.17Å; E825-Y870 WeakPolarHBondContact OE1-CE2 3.2Å; N866-Y870 WeakPolarHBondContact O-CB 3.37Å; N866-Y870 PolarHBondContact O-N 3.44Å; N868-Y870 VanDerWaalsContact C-N 3.34Å; N868-Y870 PolarHBondContact O-N 2.92Å; Y870-H874 AromaticContact CD1-CD2 3.78Å; Y870-H874 AromaticContact CD1-NE2 3.94Å; Y870-H874 AromaticContact CD2-NE2 3.97Å; Y870-H874 AromaticContact CE1-CD2 3.5Å; Y870-H874 VanDerWaalsContact CE1-CD2 3.5Å; Y870-H874 WeakPolarHBondContact CE1-CD2 3.4Å; Y870-H874 AromaticContact CE1-NE2 3.13Å; Y870-H874 WeakPolarHBondContact CE1-NE2 3.4Å; Y870-H874 AromaticContact CE2-NE2 3.16Å; Y870-H874 WeakPolarHBondContact CE2-NE2 3.35Å; Y870-H874 AromaticContact CZ-CD2 3.83Å; Y870-H874 AromaticContact CZ-NE2 2.63Å; Y870-H874 PolarHBondContact O-CD2 3.37Å; Y870-H874 VanDerWaalsContact O-CD2 3.27Å; Y870-H874 PolarHBondContact O-N 3.41Å; Y870-H874 PolarHBondContact OH-NE2 3.09Å |
| 871 | L | 89.8 | Confident | 89.2 | Confident | 51 Ų | 51 | 44 Ų | 44 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.2 | -40 | 175.2 | 179.8 | 61.8 | 0 | 0 | 0 | 111.9 | L63 S867 N868 S875 | L63-L871 HydrophobicContact CD1-CD1 4.48Å; L63-L871 HydrophobicContact CD2-CD1 3.93Å; L63-L871 HydrophobicContact CG-CD1 3.78Å; S867-L871 VanDerWaalsContact O-CB 3.27Å; S867-L871 WeakPolarHBondContact O-CB 3.27Å; S867-L871 PolarHBondContact O-N 2.69Å; N868-L871 PolarHBondContact O-N 2.92Å; L871-S875 WeakPolarHBondContact O-CB 3.48Å; L871-S875 PolarHBondContact O-N 3.38Å; L871-S875 PolarHBondContact O-OG 3.32Å |
| 872 | L | 90.3 | Very high | 88.9 | Confident | 81 Ų | 81 | 43 Ų | 43 | 42% | 0.424 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64 | -50 | 179.8 | -178 | 65.4 | 0 | 0 | 0 | 111.8 | M821 M824 N868 H869 H874 S875 G876 | M821-L872 HydrophobicContact CE-CD1 4.16Å; M821-L872 HydrophobicContact CE-CD2 4.31Å; M821-L872 HydrophobicContact CE-CG 4.05Å; M821-L872 HydrophobicContact CG-CD2 4.22Å; M821-L872 HydrophobicContact CG-CG 4.23Å; M821-L872 HydrophobicContact SD-CG 4.02Å; M824-L872 HydrophobicContact CE-CD2 4.34Å; N868-L872 WeakPolarHBondContact O-CB 3.18Å; N868-L872 PolarHBondContact O-N 3.37Å; H869-L872 PolarHBondContact O-N 3.35Å; L872-H874 PolarHBondContact O-N 2.99Å; L872-S875 PolarHBondContact O-N 3.11Å; L872-G876 PolarHBondContact O-N 2.94Å |
| 873 | F | 88.5 | Confident | 88.9 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.3 | -54.6 | 176 | 166.1 | -102.8 | 0 | 0 | 0 | 111.5 | I818 M821 K822 E825 H869 S875 G876 T877 | I818-F873 HydrophobicContact CG2-CD2 4.11Å; I818-F873 HydrophobicContact CG2-CE2 3.66Å; M821-F873 HydrophobicContact CB-CB 4.11Å; M821-F873 HydrophobicContact CB-CD2 4.37Å; K822-F873 HydrophobicContact CB-CD2 3.77Å; K822-F873 HydrophobicContact CB-CE2 3.72Å; K822-F873 HydrophobicContact CD-CD1 4.26Å; K822-F873 HydrophobicContact CD-CD2 3.99Å; K822-F873 HydrophobicContact CD-CE1 4.08Å; K822-F873 HydrophobicContact CD-CE2 3.78Å; K822-F873 HydrophobicContact CD-CG 4.23Å; K822-F873 HydrophobicContact CD-CZ 3.83Å; K822-F873 HydrophobicContact CG-CD2 4.33Å; K822-F873 HydrophobicContact CG-CE2 3.96Å; K822-F873 HydrophobicContact CG-CZ 4.35Å; E825-F873 VanDerWaalsContact OE2-CD1 3.24Å; E825-F873 WeakPolarHBondContact OE2-CD1 3.32Å; H869-F873 PolarHBondContact O-N 3.34Å; F873-S875 PolarHBondContact O-N 3.27Å; F873-G876 PolarHBondContact O-N 3.02Å; F873-T877 HydrophobicContact CE2-CG2 4.21Å; F873-T877 HydrophobicContact CZ-CG2 4.14Å; F873-T877 PolarHBondContact O-N 2.97Å |
| 874 | H | 87.1 | Confident | 88.8 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 22% | 0.218 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -40.9 | -178.3 | -80 | -71.5 | 0 | 0 | 0 | 112.3 | L63 Y870 L872 G876 T877 R878 | L63-H874 HydrophobicContact CD1-CB 3.43Å; L63-H874 VanDerWaalsContact CD1-CB 3.43Å; L63-H874 HydrophobicContact CD2-CB 3.52Å; L63-H874 HydrophobicContact CG-CB 4.12Å; Y870-H874 AromaticContact CD1-CD2 3.78Å; Y870-H874 AromaticContact CD1-NE2 3.94Å; Y870-H874 AromaticContact CD2-NE2 3.97Å; Y870-H874 AromaticContact CE1-CD2 3.5Å; Y870-H874 VanDerWaalsContact CE1-CD2 3.5Å; Y870-H874 WeakPolarHBondContact CE1-CD2 3.4Å; Y870-H874 AromaticContact CE1-NE2 3.13Å; Y870-H874 WeakPolarHBondContact CE1-NE2 3.4Å; Y870-H874 AromaticContact CE2-NE2 3.16Å; Y870-H874 WeakPolarHBondContact CE2-NE2 3.35Å; Y870-H874 AromaticContact CZ-CD2 3.83Å; Y870-H874 AromaticContact CZ-NE2 2.63Å; Y870-H874 PolarHBondContact O-CD2 3.37Å; Y870-H874 VanDerWaalsContact O-CD2 3.27Å; Y870-H874 PolarHBondContact O-N 3.41Å; Y870-H874 PolarHBondContact OH-NE2 3.09Å; L872-H874 PolarHBondContact O-N 2.99Å; H874-G876 VanDerWaalsContact C-N 3.28Å; H874-G876 PolarHBondContact O-N 3.43Å; H874-T877 PolarHBondContact O-N 3.34Å; H874-T877 PolarHBondContact O-OG1 2.76Å; H874-R878 WeakPolarHBondContact O-CG 3.33Å; H874-R878 PolarHBondContact O-N 3.27Å; H874-R878 VanDerWaalsContact O-N 3.13Å |
| 875 | S | 88.1 | Confident | 88.6 | Confident | 51 Ų | 51 | 41.5 Ų | 41.5 | 36% | 0.357 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 175.9 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | L871 L872 F873 R878 W879 | L871-S875 WeakPolarHBondContact O-CB 3.48Å; L871-S875 PolarHBondContact O-N 3.38Å; L871-S875 PolarHBondContact O-OG 3.32Å; L872-S875 PolarHBondContact O-N 3.11Å; F873-S875 PolarHBondContact O-N 3.27Å; S875-R878 PolarHBondContact O-N 3.48Å; S875-R878 VanDerWaalsContact O-N 3.14Å; S875-W879 PolarHBondContact O-N 3.46Å |
| 876 | G | 87.9 | Confident | 88.5 | Confident | 10 Ų | 10 | 41 Ų | 41 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -49.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F814 L872 F873 H874 R878 W879 L880 | F814-G876 WeakPolarHBondContact CE1-O 3.25Å; F814-G876 WeakPolarHBondContact CZ-O 3.5Å; L872-G876 PolarHBondContact O-N 2.94Å; F873-G876 PolarHBondContact O-N 3.02Å; H874-G876 VanDerWaalsContact C-N 3.28Å; H874-G876 PolarHBondContact O-N 3.43Å; G876-R878 PolarHBondContact O-N 2.9Å; G876-R878 VanDerWaalsContact O-N 3.15Å; G876-W879 WeakPolarHBondContact O-CB 3.49Å; G876-W879 PolarHBondContact O-N 3.48Å; G876-L880 PolarHBondContact O-N 3.37Å; G876-L880 VanDerWaalsContact O-N 3.16Å |
| 877 | T | 84.9 | Confident | 88.5 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 14% | 0.141 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.4 | -28.7 | 176.5 | 68.7 | 0 | 0 | 0 | 0 | 113 | F873 H874 S881 | F873-T877 HydrophobicContact CE2-CG2 4.21Å; F873-T877 HydrophobicContact CZ-CG2 4.14Å; F873-T877 PolarHBondContact O-N 2.97Å; H874-T877 PolarHBondContact O-N 3.34Å; H874-T877 PolarHBondContact O-OG1 2.76Å; T877-S881 PolarHBondContact O-N 3.28Å; T877-S881 PolarHBondContact O-OG 2.78Å |
| 878 | R | 86.8 | Confident | 88.4 | Confident | 35 Ų | 35 | 40.1 Ų | 40.1 | 13% | 0.132 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.8 | -34.4 | 178 | -62.4 | -62.3 | 162 | 178.3 | -0.2 | 113.7 | W59 H874 S875 G876 L880 S881 F882 | W59-R878 HydrophobicContact CB-CG 4.49Å; W59-R878 VanDerWaalsContact CD2-NH1 3.26Å; W59-R878 VanDerWaalsContact CE3-CZ 3.46Å; W59-R878 VanDerWaalsContact CG-NH1 3.31Å; H874-R878 WeakPolarHBondContact O-CG 3.33Å; H874-R878 PolarHBondContact O-N 3.27Å; H874-R878 VanDerWaalsContact O-N 3.13Å; S875-R878 PolarHBondContact O-N 3.48Å; S875-R878 VanDerWaalsContact O-N 3.14Å; G876-R878 PolarHBondContact O-N 2.9Å; G876-R878 VanDerWaalsContact O-N 3.15Å; R878-L880 VanDerWaalsContact C-N 3.31Å; R878-S881 PolarHBondContact O-N 2.96Å; R878-F882 PolarHBondContact O-N 2.94Å |
| 879 | W | 88 | Confident | 88.3 | Confident | 129 Ų | 129 | 35 Ų | 35 | 49% | 0.489 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 168.5 | 179.4 | 94.2 | 0 | 0 | 0 | 110.5 | F814 S875 G876 F882 W883 | F814-W879 HydrophobicContact CB-CZ3 4.34Å; F814-W879 HydrophobicContact CD1-CE3 4.34Å; F814-W879 HydrophobicContact CD1-CZ3 4.39Å; F814-W879 AromaticContact CD2-CE3 3.6Å; F814-W879 HydrophobicContact CD2-CE3 3.6Å; F814-W879 HydrophobicContact CD2-CH2 4.21Å; F814-W879 AromaticContact CD2-CZ3 3.34Å; F814-W879 HydrophobicContact CD2-CZ3 3.34Å; F814-W879 HydrophobicContact CE1-CE3 4.15Å; F814-W879 HydrophobicContact CE2-CD2 4.13Å; F814-W879 AromaticContact CE2-CE3 3.37Å; F814-W879 HydrophobicContact CE2-CE3 3.37Å; F814-W879 AromaticContact CE2-CZ3 3.65Å; F814-W879 HydrophobicContact CE2-CZ3 3.65Å; F814-W879 HydrophobicContact CG-CE3 4.08Å; F814-W879 AromaticContact CG-CZ3 3.77Å; F814-W879 HydrophobicContact CG-CZ3 3.77Å; F814-W879 HydrophobicContact CZ-CD2 4.43Å; F814-W879 AromaticContact CZ-CE3 3.68Å; F814-W879 HydrophobicContact CZ-CE3 3.68Å; F814-W879 HydrophobicContact CZ-CZ3 4.3Å; S875-W879 PolarHBondContact O-N 3.46Å; G876-W879 WeakPolarHBondContact O-CB 3.49Å; G876-W879 PolarHBondContact O-N 3.48Å; W879-F882 PolarHBondContact O-N 3.08Å; W879-W883 AromaticContact CD1-NE1 3.89Å; W879-W883 AromaticContact CD2-CD1 3.63Å; W879-W883 AromaticContact CD2-NE1 3.83Å; W879-W883 AromaticContact CE2-CD1 3.46Å; W879-W883 VanDerWaalsContact CE2-CD1 3.46Å; W879-W883 AromaticContact CE2-NE1 3.22Å; W879-W883 AromaticContact CE3-CD1 3.94Å; W879-W883 AromaticContact CH2-CD1 3.93Å; W879-W883 AromaticContact CZ2-CD1 3.64Å; W879-W883 AromaticContact CZ2-NE1 3.44Å; W879-W883 AromaticContact NE1-CD1 3.91Å; W879-W883 AromaticContact NE1-NE1 3.28Å; W879-W883 PolarHBondContact O-N 3.09Å |
| 880 | L | 87.4 | Confident | 88.4 | Confident | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 176.3 | 178.6 | 66 | 0 | 0 | 0 | 112.5 | I810 L811 F814 I818 G876 R878 F882 W883 L884 V930 | I810-L880 HydrophobicContact CG2-CD1 3.73Å; L811-L880 HydrophobicContact CD2-CD1 4.41Å; F814-L880 HydrophobicContact CD1-CB 3.77Å; F814-L880 HydrophobicContact CD1-CD1 4.24Å; F814-L880 HydrophobicContact CD1-CD2 3.93Å; F814-L880 HydrophobicContact CD1-CG 4.19Å; F814-L880 HydrophobicContact CE1-CB 3.72Å; F814-L880 HydrophobicContact CE1-CD2 4.41Å; I818-L880 HydrophobicContact CD1-CD2 3.91Å; G876-L880 PolarHBondContact O-N 3.37Å; G876-L880 VanDerWaalsContact O-N 3.16Å; R878-L880 VanDerWaalsContact C-N 3.31Å; L880-F882 VanDerWaalsContact C-N 3.26Å; L880-F882 PolarHBondContact O-N 2.96Å; L880-W883 PolarHBondContact O-N 3.37Å; L880-L884 HydrophobicContact CD1-CD1 3.89Å; L880-L884 HydrophobicContact CD1-CG 4Å; L880-L884 HydrophobicContact CD2-CD1 4.46Å; L880-L884 HydrophobicContact CG-CD1 3.86Å; L880-L884 HydrophobicContact CG-CG 4.32Å; L880-L884 WeakPolarHBondContact O-CG 3.41Å; L880-L884 PolarHBondContact O-N 3.02Å; L880-V930 HydrophobicContact CD2-CG1 3.81Å |
| 881 | S | 87.6 | Confident | 88.4 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.1 | -44.6 | 174.8 | -81.5 | 0 | 0 | 0 | 0 | 112.4 | T877 R878 D885 Q927 | T877-S881 PolarHBondContact O-N 3.28Å; T877-S881 PolarHBondContact O-OG 2.78Å; R878-S881 PolarHBondContact O-N 2.96Å; S881-D885 PolarHBondContact O-N 3.23Å; S881-Q927 VanDerWaalsContact CB-OE1 3.28Å; S881-Q927 PolarHBondContact OG-OE1 2.72Å |
| 882 | F | 88.7 | Confident | 88.3 | Confident | 41 Ų | 41 | 32.4 Ų | 32.4 | 18% | 0.18 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.7 | -46.7 | -178.6 | 174.5 | -101.5 | 0 | 0 | 0 | 112.3 | F49 F53 R878 W879 L880 L884 D885 F886 | F49-F882 HydrophobicContact CE2-CE2 4.21Å; F49-F882 AromaticContact CE2-CZ 3.87Å; F49-F882 HydrophobicContact CE2-CZ 3.87Å; F49-F882 HydrophobicContact CZ-CZ 4.31Å; F53-F882 HydrophobicContact CB-CE2 4.34Å; F53-F882 HydrophobicContact CD2-CE2 4.18Å; R878-F882 PolarHBondContact O-N 2.94Å; W879-F882 PolarHBondContact O-N 3.08Å; L880-F882 VanDerWaalsContact C-N 3.26Å; L880-F882 PolarHBondContact O-N 2.96Å; F882-L884 PolarHBondContact O-N 3.49Å; F882-D885 PolarHBondContact O-N 2.97Å; F882-F886 WeakPolarHBondContact O-CB 3.37Å; F882-F886 PolarHBondContact O-N 3.35Å |
| 883 | W | 89.5 | Confident | 88.4 | Confident | 96 Ų | 96 | 30.4 Ų | 30.4 | 36% | 0.364 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -66.9 | -35.6 | 178.8 | -71.8 | 114 | 0 | 0 | 0 | 113.1 | W879 L880 F886 M887 | W879-W883 AromaticContact CD1-NE1 3.89Å; W879-W883 AromaticContact CD2-CD1 3.63Å; W879-W883 AromaticContact CD2-NE1 3.83Å; W879-W883 AromaticContact CE2-CD1 3.46Å; W879-W883 VanDerWaalsContact CE2-CD1 3.46Å; W879-W883 AromaticContact CE2-NE1 3.22Å; W879-W883 AromaticContact CE3-CD1 3.94Å; W879-W883 AromaticContact CH2-CD1 3.93Å; W879-W883 AromaticContact CZ2-CD1 3.64Å; W879-W883 AromaticContact CZ2-NE1 3.44Å; W879-W883 AromaticContact NE1-CD1 3.91Å; W879-W883 AromaticContact NE1-NE1 3.28Å; W879-W883 PolarHBondContact O-N 3.09Å; L880-W883 PolarHBondContact O-N 3.37Å; W883-F886 HydrophobicContact CE3-CB 4.46Å; W883-F886 HydrophobicContact CE3-CD1 4.01Å; W883-F886 HydrophobicContact CE3-CG 4.39Å; W883-F886 HydrophobicContact CZ3-CD1 4.1Å; W883-F886 HydrophobicContact CZ3-CE1 4.37Å; W883-F886 PolarHBondContact O-N 3.19Å; W883-M887 WeakPolarHBondContact O-CG 3.43Å; W883-M887 PolarHBondContact O-N 3.16Å |
| 884 | L | 88.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -36.4 | 175.7 | -66.8 | 179.1 | 0 | 0 | 0 | 112.6 | F807 L880 F882 A888 L926 Q927 V930 | F807-L884 HydrophobicContact CD2-CD2 3.5Å; F807-L884 HydrophobicContact CE2-CD2 3.62Å; L880-L884 HydrophobicContact CD1-CD1 3.89Å; L880-L884 HydrophobicContact CD1-CG 4Å; L880-L884 HydrophobicContact CD2-CD1 4.46Å; L880-L884 HydrophobicContact CG-CD1 3.86Å; L880-L884 HydrophobicContact CG-CG 4.32Å; L880-L884 WeakPolarHBondContact O-CG 3.41Å; L880-L884 PolarHBondContact O-N 3.02Å; F882-L884 PolarHBondContact O-N 3.49Å; L884-A888 PolarHBondContact O-N 2.73Å; L884-L926 HydrophobicContact CB-CD2 4.46Å; L884-L926 HydrophobicContact CD2-CD2 4.12Å; L884-L926 HydrophobicContact CD2-CG 4.37Å; L884-Q927 HydrophobicContact CB-CB 4.09Å; L884-Q927 HydrophobicContact CD1-CB 4.17Å; L884-V930 HydrophobicContact CD1-CB 4.03Å; L884-V930 HydrophobicContact CD1-CG1 4.36Å; L884-V930 HydrophobicContact CD1-CG2 3.86Å |
| 885 | D | 88.6 | Confident | 88.6 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.6 | -37.7 | 170.8 | -79.7 | -1.6 | 0 | 0 | 0 | 111.8 | A52 S881 F882 M887 A888 A889 T923 G924 Q927 | A52-D885 HydrophobicContact CB-CB 3.67Å; S881-D885 PolarHBondContact O-N 3.23Å; F882-D885 PolarHBondContact O-N 2.97Å; D885-M887 VanDerWaalsContact C-N 3.34Å; D885-M887 PolarHBondContact O-N 3.04Å; D885-A888 PolarHBondContact O-N 3.35Å; D885-A889 PolarHBondContact O-N 2.91Å; D885-T923 HydrophobicContact CB-CG2 4.48Å; D885-G924 VanDerWaalsContact OD1-CA 3.31Å; D885-G924 WeakPolarHBondContact OD1-CA 3.34Å; D885-G924 PolarHBondContact OD1-N 2.96Å; D885-Q927 PolarHBondContact OD1-NE2 3.3Å; D885-Q927 PolarHBondContact OD2-NE2 3.32Å |
| 886 | F | 89.8 | Confident | 88.6 | Confident | 66 Ų | 66 | 28.5 Ų | 28.5 | 29% | 0.289 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59 | -45.5 | 174 | 177.6 | -101.3 | 0 | 0 | 0 | 111.1 | F45 F49 F882 W883 A888 A889 S890 | F45-F886 HydrophobicContact CZ-CE2 4.4Å; F49-F886 AromaticContact CD2-CD2 3.76Å; F49-F886 HydrophobicContact CD2-CD2 3.76Å; F49-F886 HydrophobicContact CD2-CE2 4.19Å; F49-F886 AromaticContact CE2-CD2 3.76Å; F49-F886 HydrophobicContact CE2-CD2 3.76Å; F49-F886 HydrophobicContact CE2-CE2 4.12Å; F882-F886 WeakPolarHBondContact O-CB 3.37Å; F882-F886 PolarHBondContact O-N 3.35Å; W883-F886 HydrophobicContact CE3-CB 4.46Å; W883-F886 HydrophobicContact CE3-CD1 4.01Å; W883-F886 HydrophobicContact CE3-CG 4.39Å; W883-F886 HydrophobicContact CZ3-CD1 4.1Å; W883-F886 HydrophobicContact CZ3-CE1 4.37Å; W883-F886 PolarHBondContact O-N 3.19Å; F886-A888 VanDerWaalsContact C-N 3.34Å; F886-A888 PolarHBondContact O-N 2.68Å; F886-A889 WeakPolarHBondContact O-CB 3.47Å; F886-A889 PolarHBondContact O-N 3Å; F886-S890 PolarHBondContact O-N 3.49Å; F886-S890 PolarHBondContact O-OG 3.47Å |
| 887 | M | 88.8 | Confident | 88.7 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 4% | 0.044 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 174.8 | -73.3 | -179 | 67.6 | 0 | 0 | 113 | M803 L806 F807 I810 W883 D885 S890 M891 | M803-M887 HydrophobicContact CB-CE 4.26Å; M803-M887 HydrophobicContact CE-CB 3.66Å; M803-M887 HydrophobicContact CE-CE 3.96Å; M803-M887 HydrophobicContact CE-CG 3.89Å; M803-M887 VanDerWaalsContact CE-O 3.26Å; M803-M887 WeakPolarHBondContact CE-O 3.32Å; M803-M887 WeakPolarHBondContact O-CE 3.48Å; M803-M887 HydrophobicContact SD-CE 4.31Å; L806-M887 HydrophobicContact CB-CE 3.95Å; L806-M887 HydrophobicContact CD2-CE 3.96Å; L806-M887 HydrophobicContact CD2-CG 4.31Å; L806-M887 HydrophobicContact CD2-SD 4.1Å; L806-M887 HydrophobicContact CG-CE 4.02Å; L806-M887 HydrophobicContact CG-SD 4.18Å; F807-M887 HydrophobicContact CB-CE 3.84Å; I810-M887 HydrophobicContact CD1-SD 3.8Å; W883-M887 WeakPolarHBondContact O-CG 3.43Å; W883-M887 PolarHBondContact O-N 3.16Å; D885-M887 VanDerWaalsContact C-N 3.34Å; D885-M887 PolarHBondContact O-N 3.04Å; M887-S890 PolarHBondContact O-N 2.98Å; M887-M891 PolarHBondContact O-N 2.64Å |
| 888 | A | 88.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.5 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L884 D885 F886 M891 T892 L922 | L884-A888 PolarHBondContact O-N 2.73Å; D885-A888 PolarHBondContact O-N 3.35Å; F886-A888 VanDerWaalsContact C-N 3.34Å; F886-A888 PolarHBondContact O-N 2.68Å; A888-M891 PolarHBondContact O-N 2.83Å; A888-T892 PolarHBondContact O-N 3.43Å; A888-T892 PolarHBondContact O-OG1 3.47Å; A888-L922 HydrophobicContact CB-CG 4.3Å |
| 889 | A | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F45 E48 D885 F886 M891 T892 L893 | F45-A889 HydrophobicContact CD2-CB 4.13Å; F45-A889 WeakPolarHBondContact CD2-O 3.34Å; F45-A889 HydrophobicContact CE2-CB 4.03Å; E48-A889 HydrophobicContact CB-CB 3.97Å; D885-A889 PolarHBondContact O-N 2.91Å; F886-A889 WeakPolarHBondContact O-CB 3.47Å; F886-A889 PolarHBondContact O-N 3Å; A889-M891 VanDerWaalsContact C-N 3.32Å; A889-M891 PolarHBondContact O-N 3.27Å; A889-T892 WeakPolarHBondContact O-CA 3.33Å; A889-T892 WeakPolarHBondContact O-CB 3.42Å; A889-T892 PolarHBondContact O-N 2.65Å; A889-L893 PolarHBondContact O-N 2.89Å |
| 890 | S | 90.1 | Very high | 88.7 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 19% | 0.189 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | F886 M887 L893 L894 | F886-S890 PolarHBondContact O-N 3.49Å; F886-S890 PolarHBondContact O-OG 3.47Å; M887-S890 PolarHBondContact O-N 2.98Å; S890-L893 WeakPolarHBondContact O-CB 3.37Å; S890-L893 PolarHBondContact O-N 3.4Å; S890-L894 WeakPolarHBondContact O-CG 3.32Å; S890-L894 PolarHBondContact O-N 3.21Å; S890-L894 VanDerWaalsContact O-N 3.1Å |
| 891 | M | 88.1 | Confident | 88.5 | Confident | 27 Ų | 27 | 30.3 Ų | 30.3 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 170.9 | -74.3 | -57 | -142.4 | 0 | 0 | 112.7 | V800 M803 M887 A888 A889 L893 L894 V895 T919 L922 | V800-M891 HydrophobicContact CB-CE 4.38Å; V800-M891 HydrophobicContact CG2-CE 3.94Å; M803-M891 HydrophobicContact CB-CE 3.54Å; M803-M891 HydrophobicContact CB-SD 4.38Å; M803-M891 HydrophobicContact CE-CG 4.28Å; M803-M891 HydrophobicContact CG-CE 3.64Å; M803-M891 HydrophobicContact CG-SD 3.87Å; M887-M891 PolarHBondContact O-N 2.64Å; A888-M891 PolarHBondContact O-N 2.83Å; A889-M891 VanDerWaalsContact C-N 3.32Å; A889-M891 PolarHBondContact O-N 3.27Å; M891-L893 VanDerWaalsContact C-N 3.29Å; M891-L893 PolarHBondContact O-N 2.97Å; M891-L894 PolarHBondContact O-N 3.44Å; M891-L894 HydrophobicContact SD-CD1 4.26Å; M891-V895 WeakPolarHBondContact O-CG2 3.17Å; M891-V895 PolarHBondContact O-N 3.4Å; M891-T919 HydrophobicContact CB-CG2 4.46Å; M891-L922 HydrophobicContact CB-CD2 4.49Å |
| 892 | T | 88.5 | Confident | 88.3 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 175.4 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | L44 E48 A888 A889 A896 I920 | L44-T892 HydrophobicContact CD2-CG2 3.93Å; L44-T892 HydrophobicContact CG-CG2 4.22Å; E48-T892 HydrophobicContact CG-CG2 4.28Å; A888-T892 PolarHBondContact O-N 3.43Å; A888-T892 PolarHBondContact O-OG1 3.47Å; A889-T892 WeakPolarHBondContact O-CA 3.33Å; A889-T892 WeakPolarHBondContact O-CB 3.42Å; A889-T892 PolarHBondContact O-N 2.65Å; T892-A896 WeakPolarHBondContact O-CB 3.41Å; T892-A896 PolarHBondContact O-N 3.05Å; T892-I920 HydrophobicContact CG2-CG1 3.86Å |
| 893 | L | 91.3 | Very high | 87.9 | Confident | 39 Ų | 39 | 32.2 Ų | 32.2 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -49.5 | 172.7 | -179.9 | 58.7 | 0 | 0 | 0 | 111.9 | V42 F45 A889 S890 M891 A896 L897 | V42-L893 HydrophobicContact CG2-CD1 4.4Å; F45-L893 HydrophobicContact CB-CB 3.96Å; F45-L893 HydrophobicContact CB-CD1 3.89Å; F45-L893 HydrophobicContact CB-CD2 4.39Å; F45-L893 HydrophobicContact CB-CG 4.28Å; F45-L893 HydrophobicContact CD1-CD2 4.22Å; F45-L893 HydrophobicContact CD2-CB 3.83Å; F45-L893 HydrophobicContact CD2-CD2 4.21Å; F45-L893 HydrophobicContact CG-CB 4.03Å; F45-L893 HydrophobicContact CG-CD1 4.4Å; F45-L893 HydrophobicContact CG-CD2 3.99Å; F45-L893 HydrophobicContact CG-CG 4.36Å; A889-L893 PolarHBondContact O-N 2.89Å; S890-L893 WeakPolarHBondContact O-CB 3.37Å; S890-L893 PolarHBondContact O-N 3.4Å; M891-L893 VanDerWaalsContact C-N 3.29Å; M891-L893 PolarHBondContact O-N 2.97Å; L893-A896 PolarHBondContact O-N 2.85Å; L893-L897 HydrophobicContact CD1-CD1 3.9Å; L893-L897 HydrophobicContact CD1-CG 4.06Å; L893-L897 HydrophobicContact CG-CD1 3.96Å; L893-L897 WeakPolarHBondContact O-CB 3.37Å; L893-L897 VanDerWaalsContact O-CG 3.3Å; L893-L897 WeakPolarHBondContact O-CG 3.36Å; L893-L897 PolarHBondContact O-N 3.47Å |
| 894 | L | 89.8 | Confident | 87.2 | Confident | 62 Ų | 62 | 30.1 Ų | 30.1 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.9 | -45.9 | -179 | -69 | 173.6 | 0 | 0 | 0 | 111.9 | M796 A799 S890 M891 L897 F898 | M796-L894 HydrophobicContact SD-CB 4.22Å; A799-L894 HydrophobicContact CB-CD1 3.96Å; S890-L894 WeakPolarHBondContact O-CG 3.32Å; S890-L894 PolarHBondContact O-N 3.21Å; S890-L894 VanDerWaalsContact O-N 3.1Å; M891-L894 PolarHBondContact O-N 3.44Å; M891-L894 HydrophobicContact SD-CD1 4.26Å; L894-L897 PolarHBondContact O-N 3.15Å; L894-F898 WeakPolarHBondContact O-CD2 3.17Å; L894-F898 PolarHBondContact O-N 3.08Å |
| 895 | V | 89.5 | Confident | 86.2 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.3 | 174.6 | 0 | 0 | 0 | 0 | 111 | I789 F793 M796 M891 L897 F898 V899 T915 T919 | I789-V895 HydrophobicContact CG2-CG2 4.15Å; F793-V895 HydrophobicContact CE2-CG1 4.46Å; M796-V895 HydrophobicContact SD-CG2 4.19Å; M891-V895 WeakPolarHBondContact O-CG2 3.17Å; M891-V895 PolarHBondContact O-N 3.4Å; V895-L897 VanDerWaalsContact C-N 3.35Å; V895-L897 PolarHBondContact O-N 3.29Å; V895-F898 PolarHBondContact O-N 3.46Å; V895-V899 HydrophobicContact CG1-CG2 4.13Å; V895-V899 VanDerWaalsContact O-CB 3.26Å; V895-V899 WeakPolarHBondContact O-CB 3.27Å; V895-V899 VanDerWaalsContact O-CG2 3.23Å; V895-V899 WeakPolarHBondContact O-CG2 3.47Å; V895-V899 PolarHBondContact O-N 3.37Å; V895-T915 HydrophobicContact CG1-CG2 4.06Å; V895-T919 HydrophobicContact CB-CG2 4.13Å; V895-T919 HydrophobicContact CG2-CG2 3.96Å |
| 896 | A | 88.8 | Confident | 85.5 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A41 L44 T892 L893 V899 V900 | A41-A896 HydrophobicContact CB-CB 3.83Å; L44-A896 HydrophobicContact CD2-CB 4.29Å; T892-A896 WeakPolarHBondContact O-CB 3.41Å; T892-A896 PolarHBondContact O-N 3.05Å; L893-A896 PolarHBondContact O-N 2.85Å; A896-V899 PolarHBondContact O-N 2.8Å; A896-V900 WeakPolarHBondContact O-CB 3.42Å; A896-V900 WeakPolarHBondContact O-CG2 3.26Å; A896-V900 PolarHBondContact O-N 3.41Å |
| 897 | L | 89.3 | Confident | 85.1 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 174 | -71.8 | 170 | 0 | 0 | 0 | 111.6 | V38 A41 L893 L894 V895 V900 L901 | V38-L897 HydrophobicContact CG1-CD2 4.1Å; V38-L897 HydrophobicContact CG2-CD2 4.39Å; A41-L897 HydrophobicContact CB-CD2 4.05Å; A41-L897 HydrophobicContact CB-CG 4.39Å; L893-L897 HydrophobicContact CD1-CD1 3.9Å; L893-L897 HydrophobicContact CD1-CG 4.06Å; L893-L897 HydrophobicContact CG-CD1 3.96Å; L893-L897 WeakPolarHBondContact O-CB 3.37Å; L893-L897 VanDerWaalsContact O-CG 3.3Å; L893-L897 WeakPolarHBondContact O-CG 3.36Å; L893-L897 PolarHBondContact O-N 3.47Å; L894-L897 PolarHBondContact O-N 3.15Å; V895-L897 VanDerWaalsContact C-N 3.35Å; V895-L897 PolarHBondContact O-N 3.29Å; L897-V900 PolarHBondContact O-N 3.1Å; L897-L901 VanDerWaalsContact O-CB 3.29Å; L897-L901 WeakPolarHBondContact O-CB 3.35Å; L897-L901 VanDerWaalsContact O-CG 3.23Å; L897-L901 WeakPolarHBondContact O-CG 3.43Å; L897-L901 PolarHBondContact O-N 3.32Å |
| 898 | F | 87.6 | Confident | 84.7 | Confident | 83 Ų | 83 | 41.9 Ų | 41.9 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.4 | -35 | 176.6 | -90.5 | -108 | 0 | 0 | 0 | 112.9 | F793 A795 M796 L894 V895 V900 S902 | F793-F898 HydrophobicContact CD1-CB 4.42Å; F793-F898 HydrophobicContact CE1-CB 4.46Å; A795-F898 HydrophobicContact CB-CE1 3.97Å; M796-F898 HydrophobicContact CE-CD1 3.95Å; M796-F898 HydrophobicContact CE-CD2 3.33Å; M796-F898 HydrophobicContact CE-CE1 3.95Å; M796-F898 HydrophobicContact CE-CE2 3.33Å; M796-F898 HydrophobicContact CE-CG 3.66Å; M796-F898 HydrophobicContact CE-CZ 3.65Å; M796-F898 HydrophobicContact SD-CD2 4.31Å; M796-F898 HydrophobicContact SD-CG 4.36Å; L894-F898 WeakPolarHBondContact O-CD2 3.17Å; L894-F898 PolarHBondContact O-N 3.08Å; V895-F898 PolarHBondContact O-N 3.46Å; F898-V900 VanDerWaalsContact C-N 3.32Å; F898-V900 PolarHBondContact O-N 2.6Å; F898-S902 WeakPolarHBondContact O-CB 3.39Å; F898-S902 PolarHBondContact O-N 3.43Å |
| 899 | V | 87.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -39.3 | 171.9 | 157.2 | 0 | 0 | 0 | 0 | 111.9 | I22 I26 F793 V895 A896 K912 | I22-V899 HydrophobicContact CG2-CG1 4.24Å; I26-V899 HydrophobicContact CD1-CG1 3.37Å; I26-V899 HydrophobicContact CG1-CG1 4.4Å; F793-V899 HydrophobicContact CE2-CG2 3.76Å; F793-V899 HydrophobicContact CZ-CB 4.46Å; F793-V899 HydrophobicContact CZ-CG2 3.56Å; V895-V899 HydrophobicContact CG1-CG2 4.13Å; V895-V899 VanDerWaalsContact O-CB 3.26Å; V895-V899 WeakPolarHBondContact O-CB 3.27Å; V895-V899 VanDerWaalsContact O-CG2 3.23Å; V895-V899 WeakPolarHBondContact O-CG2 3.47Å; V895-V899 PolarHBondContact O-N 3.37Å; A896-V899 PolarHBondContact O-N 2.8Å; V899-K912 HydrophobicContact CG1-CB 4.18Å; V899-K912 HydrophobicContact CG2-CB 4.23Å |
| 900 | V | 86.3 | Confident | 83.5 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -79.3 | -36.8 | 178.6 | 164 | 0 | 0 | 0 | 0 | 113.1 | I22 Y25 V38 A896 L897 F898 | I22-V900 HydrophobicContact CG2-CG2 4.32Å; Y25-V900 HydrophobicContact CE1-CG1 4.02Å; V38-V900 HydrophobicContact CG2-CG1 4.37Å; A896-V900 WeakPolarHBondContact O-CB 3.42Å; A896-V900 WeakPolarHBondContact O-CG2 3.26Å; A896-V900 PolarHBondContact O-N 3.41Å; L897-V900 PolarHBondContact O-N 3.1Å; F898-V900 VanDerWaalsContact C-N 3.32Å; F898-V900 PolarHBondContact O-N 2.6Å |
| 901 | L | 83.9 | Confident | 83.1 | Confident | 110 Ų | 110 | 44.7 Ų | 44.7 | 58% | 0.576 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -89.5 | -18.8 | -173.7 | -66.5 | 170.4 | 0 | 0 | 0 | 114 | V34 V38 L897 | V34-L901 HydrophobicContact CG1-CD2 4.05Å; V38-L901 HydrophobicContact CG2-CD2 4.5Å; L897-L901 VanDerWaalsContact O-CB 3.29Å; L897-L901 WeakPolarHBondContact O-CB 3.35Å; L897-L901 VanDerWaalsContact O-CG 3.23Å; L897-L901 WeakPolarHBondContact O-CG 3.43Å; L897-L901 PolarHBondContact O-N 3.32Å |
| 902 | S | 83.4 | Confident | 82.9 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -75.4 | 132.2 | 173.6 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | F898 K912 | F898-S902 WeakPolarHBondContact O-CB 3.39Å; F898-S902 PolarHBondContact O-N 3.43Å; S902-K912 PolarHBondContact O-NZ 3.41Å |
| 903 | S | 78.8 | Confident | 82.5 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 41% | 0.406 | 24% | 0.243 | S | C | . | . | trans | -62.2 | 164.2 | 171.4 | 68.5 | 0 | 0 | 0 | 0 | 112.1 | D905 K912 | S903-D905 WeakPolarHBondContact CB-OD2 3.33Å; S903-D905 PolarHBondContact OG-OD2 2.94Å; S903-K912 PolarHBondContact O-NZ 3.36Å | ||
| 904 | N | 75.2 | Confident | 82 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -21.8 | -178.5 | -70.7 | -20.8 | 0 | 0 | 0 | 112.9 | I26 V906 I907 K912 | I26-N904 WeakPolarHBondContact CG2-OD1 3.45Å; I26-N904 PolarHBondContact O-ND2 3.15Å; N904-V906 PolarHBondContact O-N 3.23Å; N904-I907 CarbonylContact O-C 3.58Å; N904-I907 PolarHBondContact O-N 2.87Å; N904-I907 VanDerWaalsContact O-O 3.09Å; N904-K912 PolarHBondContact OD1-NZ 3.39Å |
| 905 | D | 67.8 | Low | 81.7 | Confident | 151 Ų | 151 | 38.6 Ų | 38.6 | 81% | 0.807 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -24.1 | -176.4 | -33.5 | -79.5 | 0 | 0 | 0 | 112.3 | S903 | S903-D905 WeakPolarHBondContact CB-OD2 3.33Å; S903-D905 PolarHBondContact OG-OD2 2.94Å |
| 906 | V | 73.9 | Confident | 81.5 | Confident | 116 Ų | 116 | 38.6 Ų | 38.6 | 70% | 0.703 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -30.5 | -179.8 | -174 | 0 | 0 | 0 | 0 | 111.9 | N904 | N904-V906 PolarHBondContact O-N 3.23Š|
| 907 | I | 80.6 | Confident | 81.1 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -145.4 | 123.6 | -175.8 | -53.3 | 176.2 | 0 | 0 | 0 | 109.7 | V792 F793 N904 L911 K912 | V792-I907 HydrophobicContact CG1-CD1 4.39Å; V792-I907 HydrophobicContact CG1-CG2 3.81Å; V792-I907 VanDerWaalsContact O-CD1 3.3Å; V792-I907 WeakPolarHBondContact O-CD1 3.36Å; F793-I907 HydrophobicContact CD1-CD1 3.62Å; F793-I907 HydrophobicContact CE1-CD1 3.44Å; F793-I907 VanDerWaalsContact CE1-CD1 3.44Å; F793-I907 HydrophobicContact CZ-CD1 4.35Å; N904-I907 CarbonylContact O-C 3.58Å; N904-I907 PolarHBondContact O-N 2.87Å; N904-I907 VanDerWaalsContact O-O 3.09Å; I907-L911 HydrophobicContact CG2-CB 4.03Å; I907-K912 HydrophobicContact CG2-CG 3.9Å; I907-K912 VanDerWaalsContact O-CE 3.26Å; I907-K912 WeakPolarHBondContact O-CE 3.34Å |
| 908 | S | 80 | Confident | 80.7 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | trans | -61.3 | 147.8 | 179.4 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | S910 L911 K912 | S908-S910 PolarHBondContact O-N 3.01Å; S908-S910 PolarHBondContact OG-OG 3.03Å; S908-L911 PolarHBondContact O-N 3.41Å; S908-L911 VanDerWaalsContact O-N 3.13Å; S908-L911 WeakPolarHBondContact OG-CG 3.46Å; S908-L911 PolarHBondContact OG-N 2.93Å; S908-K912 PolarHBondContact O-N 2.92Å; S908-K912 VanDerWaalsContact O-N 3.17Å | ||
| 909 | P | 78.3 | Confident | 80.6 | Confident | 37 Ų | 37 | 34.2 Ų | 34.2 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -51.8 | -38.5 | 171.4 | -27.9 | 35.9 | 0 | 0 | 0 | 112.9 | I26 E27 L911 K912 G913 | I26-P909 HydrophobicContact CG2-CB 3.92Å; I26-P909 HydrophobicContact CG2-CG 4.08Å; E27-P909 HydrophobicContact CG-CB 4.23Å; E27-P909 HydrophobicContact CG-CG 4.47Å; P909-L911 VanDerWaalsContact C-N 3.34Å; P909-L911 PolarHBondContact O-N 3.48Å; P909-K912 WeakPolarHBondContact O-CB 3.28Å; P909-K912 PolarHBondContact O-N 2.98Å; P909-G913 PolarHBondContact O-N 3Å |
| 910 | S | 75.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 179.5 | 79.2 | 0 | 0 | 0 | 0 | 113.9 | D251 S680 S908 L914 | D251-S910 WeakPolarHBondContact OD2-CA 3.24Å; D251-S910 WeakPolarHBondContact OD2-CB 3.35Å; D251-S910 PolarHBondContact OD2-N 3.47Å; S680-S910 WeakPolarHBondContact O-CB 3.49Å; S680-S910 PolarHBondContact O-OG 3.21Å; S680-S910 PolarHBondContact OG-O 3.33Å; S908-S910 PolarHBondContact O-N 3.01Å; S908-S910 PolarHBondContact OG-OG 3.03Å; S910-L914 WeakPolarHBondContact O-CB 3.24Å; S910-L914 PolarHBondContact O-N 3.08Å; S910-L914 VanDerWaalsContact O-N 3.07Å |
| 911 | L | 81.9 | Confident | 79.8 | Confident | 46 Ų | 46 | 38.2 Ų | 38.2 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -79.6 | -33.9 | 178.2 | -72.9 | 170.8 | 0 | 0 | 0 | 111.8 | V792 I907 S908 P909 L914 T915 | V792-L911 HydrophobicContact CG1-CB 4.31Å; V792-L911 HydrophobicContact CG2-CB 4.46Å; V792-L911 HydrophobicContact CG2-CD2 4.47Å; I907-L911 HydrophobicContact CG2-CB 4.03Å; S908-L911 PolarHBondContact O-N 3.41Å; S908-L911 VanDerWaalsContact O-N 3.13Å; S908-L911 WeakPolarHBondContact OG-CG 3.46Å; S908-L911 PolarHBondContact OG-N 2.93Å; P909-L911 VanDerWaalsContact C-N 3.34Å; P909-L911 PolarHBondContact O-N 3.48Å; L911-L914 HydrophobicContact CD2-CD2 4.33Å; L911-T915 WeakPolarHBondContact O-CB 3.44Å; L911-T915 PolarHBondContact O-N 3.25Å; L911-T915 VanDerWaalsContact O-N 3.08Å; L911-T915 PolarHBondContact O-OG1 3.22Å |
| 912 | K | 83.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 169.5 | -66.1 | 177.6 | -178 | 179.9 | 0 | 110.4 | I26 F793 V899 S902 S903 N904 I907 S908 P909 T915 M916 | I26-K912 HydrophobicContact CD1-CB 4.45Å; I26-K912 HydrophobicContact CD1-CD 4.46Å; I26-K912 HydrophobicContact CG2-CD 3.86Å; F793-K912 HydrophobicContact CZ-CG 4.31Å; V899-K912 HydrophobicContact CG1-CB 4.18Å; V899-K912 HydrophobicContact CG2-CB 4.23Å; S902-K912 PolarHBondContact O-NZ 3.41Å; S903-K912 PolarHBondContact O-NZ 3.36Å; N904-K912 PolarHBondContact OD1-NZ 3.39Å; I907-K912 HydrophobicContact CG2-CG 3.9Å; I907-K912 VanDerWaalsContact O-CE 3.26Å; I907-K912 WeakPolarHBondContact O-CE 3.34Å; S908-K912 PolarHBondContact O-N 2.92Å; S908-K912 VanDerWaalsContact O-N 3.17Å; P909-K912 WeakPolarHBondContact O-CB 3.28Å; P909-K912 PolarHBondContact O-N 2.98Å; K912-T915 PolarHBondContact O-N 3.02Å; K912-M916 WeakPolarHBondContact O-CB 3.37Å; K912-M916 PolarHBondContact O-N 3.2Å |
| 913 | G | 79.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P909 S917 | P909-G913 PolarHBondContact O-N 3Å; G913-S917 VanDerWaalsContact O-CB 3.31Å; G913-S917 WeakPolarHBondContact O-CB 3.49Å; G913-S917 PolarHBondContact O-N 2.96Å; G913-S917 PolarHBondContact O-OG 3.26Å |
| 914 | L | 80.6 | Confident | 79.5 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.8 | -51.5 | 170.7 | 179.7 | 70.3 | 0 | 0 | 0 | 111.2 | F255 N676 W677 I788 S910 L911 M916 S917 Y918 | F255-L914 HydrophobicContact CE1-CD1 4.39Å; F255-L914 HydrophobicContact CZ-CB 4.42Å; N676-L914 HydrophobicContact CB-CD1 4.21Å; W677-L914 HydrophobicContact CB-CD2 4.2Å; W677-L914 HydrophobicContact CG-CD2 4.46Å; I788-L914 HydrophobicContact CG2-CD2 4.3Å; S910-L914 WeakPolarHBondContact O-CB 3.24Å; S910-L914 PolarHBondContact O-N 3.08Å; S910-L914 VanDerWaalsContact O-N 3.07Å; L911-L914 HydrophobicContact CD2-CD2 4.33Å; L914-M916 PolarHBondContact O-N 3Å; L914-S917 PolarHBondContact O-N 3.08Å; L914-Y918 HydrophobicContact CD1-CD2 3.89Å; L914-Y918 HydrophobicContact CD1-CE2 3.81Å; L914-Y918 HydrophobicContact CG-CD2 4.23Å; L914-Y918 WeakPolarHBondContact O-CD2 3.46Å; L914-Y918 PolarHBondContact O-N 3.27Å |
| 915 | T | 84.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.1 | -39.9 | -174.9 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | I789 V792 F793 V895 L911 K912 Y918 T919 | I789-T915 HydrophobicContact CB-CG2 4.24Å; I789-T915 HydrophobicContact CG1-CG2 3.75Å; I789-T915 HydrophobicContact CG2-CG2 4.49Å; V792-T915 WeakPolarHBondContact CG2-OG1 3.33Å; F793-T915 HydrophobicContact CD2-CG2 3.94Å; F793-T915 HydrophobicContact CE2-CG2 3.84Å; V895-T915 HydrophobicContact CG1-CG2 4.06Å; L911-T915 WeakPolarHBondContact O-CB 3.44Å; L911-T915 PolarHBondContact O-N 3.25Å; L911-T915 VanDerWaalsContact O-N 3.08Å; L911-T915 PolarHBondContact O-OG1 3.22Å; K912-T915 PolarHBondContact O-N 3.02Å; T915-Y918 PolarHBondContact O-N 3.31Å; T915-T919 WeakPolarHBondContact O-CB 3.29Å; T915-T919 PolarHBondContact O-N 3.37Å; T915-T919 PolarHBondContact O-OG1 3.48Å |
| 916 | M | 84.2 | Confident | 80.6 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -46.9 | 173.2 | -169.2 | -178.1 | -168 | 0 | 0 | 112 | V19 I22 L44 K912 L914 Y918 T919 I920 | V19-M916 HydrophobicContact CB-CE 4.34Å; V19-M916 HydrophobicContact CG1-SD 4.08Å; V19-M916 HydrophobicContact CG2-CE 3.94Å; V19-M916 HydrophobicContact CG2-SD 4.39Å; I22-M916 HydrophobicContact CB-CE 3.85Å; I22-M916 HydrophobicContact CB-SD 4.4Å; I22-M916 HydrophobicContact CD1-CE 3.45Å; I22-M916 VanDerWaalsContact CD1-CE 3.45Å; I22-M916 HydrophobicContact CG1-CE 4.22Å; I22-M916 HydrophobicContact CG2-CE 3.71Å; I22-M916 HydrophobicContact CG2-SD 3.93Å; L44-M916 HydrophobicContact CD2-CE 3.42Å; L44-M916 VanDerWaalsContact CD2-CE 3.42Å; K912-M916 WeakPolarHBondContact O-CB 3.37Å; K912-M916 PolarHBondContact O-N 3.2Å; L914-M916 PolarHBondContact O-N 3Å; M916-Y918 VanDerWaalsContact C-N 3.28Å; M916-Y918 PolarHBondContact O-N 3.19Å; M916-T919 PolarHBondContact O-N 2.93Å; M916-I920 HydrophobicContact CG-CD1 4.29Å; M916-I920 WeakPolarHBondContact O-CG1 3.27Å; M916-I920 PolarHBondContact O-N 2.97Å; M916-I920 VanDerWaalsContact O-N 3.12Å |
| 917 | S | 80.3 | Confident | 81.2 | Confident | 26 Ų | 26 | 20 Ų | 20 | 18% | 0.182 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.9 | -33.8 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | G913 L914 Q921 | G913-S917 VanDerWaalsContact O-CB 3.31Å; G913-S917 WeakPolarHBondContact O-CB 3.49Å; G913-S917 PolarHBondContact O-N 2.96Å; G913-S917 PolarHBondContact O-OG 3.26Å; L914-S917 PolarHBondContact O-N 3.08Å; S917-Q921 WeakPolarHBondContact O-CG 3.33Å; S917-Q921 PolarHBondContact O-NE2 3.12Å |
| 918 | Y | 82.4 | Confident | 81.4 | Confident | 6 Ų | 6 | 22.3 Ų | 22.3 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -76.1 | -36.9 | 174.7 | -98.3 | -83.8 | 0 | 0 | 0 | 113 | N676 T785 I788 L914 T915 M916 Q921 L922 | N676-Y918 HydrophobicContact CB-CE2 3.93Å; N676-Y918 PolarHBondContact ND2-OH 3.01Å; T785-Y918 HydrophobicContact CG2-CD1 4.17Å; I788-Y918 HydrophobicContact CD1-CD1 4.27Å; I788-Y918 HydrophobicContact CD1-CD2 4.23Å; I788-Y918 HydrophobicContact CD1-CE1 4.01Å; I788-Y918 HydrophobicContact CD1-CE2 3.97Å; I788-Y918 HydrophobicContact CD1-CG 4.37Å; L914-Y918 HydrophobicContact CD1-CD2 3.89Å; L914-Y918 HydrophobicContact CD1-CE2 3.81Å; L914-Y918 HydrophobicContact CG-CD2 4.23Å; L914-Y918 WeakPolarHBondContact O-CD2 3.46Å; L914-Y918 PolarHBondContact O-N 3.27Å; T915-Y918 PolarHBondContact O-N 3.31Å; M916-Y918 VanDerWaalsContact C-N 3.28Å; M916-Y918 PolarHBondContact O-N 3.19Å; Y918-Q921 WeakPolarHBondContact O-CB 3.5Å; Y918-Q921 PolarHBondContact O-N 3.27Å; Y918-L922 PolarHBondContact O-N 3.1Å |
| 919 | T | 83.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69 | -38.9 | -179 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | M891 V895 T915 M916 Q921 L922 | M891-T919 HydrophobicContact CB-CG2 4.46Å; V895-T919 HydrophobicContact CB-CG2 4.13Å; V895-T919 HydrophobicContact CG2-CG2 3.96Å; T915-T919 WeakPolarHBondContact O-CB 3.29Å; T915-T919 PolarHBondContact O-N 3.37Å; T915-T919 PolarHBondContact O-OG1 3.48Å; M916-T919 PolarHBondContact O-N 2.93Å; T919-Q921 PolarHBondContact O-N 3.05Å; T919-L922 WeakPolarHBondContact O-CB 3.41Å; T919-L922 PolarHBondContact O-N 3.03Å |
| 920 | I | 80.3 | Confident | 82 | Confident | 32 Ų | 32 | 19.8 Ų | 19.8 | 16% | 0.164 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -26.5 | 175.5 | -66.8 | 166.7 | 0 | 0 | 0 | 112.3 | V19 L44 T892 M916 L922 | V19-I920 HydrophobicContact CG2-CD1 3.21Å; L44-I920 HydrophobicContact CD1-CD1 4.31Å; L44-I920 HydrophobicContact CD2-CD1 4.28Å; T892-I920 HydrophobicContact CG2-CG1 3.86Å; M916-I920 HydrophobicContact CG-CD1 4.29Å; M916-I920 WeakPolarHBondContact O-CG1 3.27Å; M916-I920 PolarHBondContact O-N 2.97Å; M916-I920 VanDerWaalsContact O-N 3.12Å; I920-L922 VanDerWaalsContact C-N 3.31Å |
| 921 | Q | 77.8 | Confident | 82.3 | Confident | 65 Ų | 65 | 23.3 Ų | 23.3 | 30% | 0.304 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -73 | -20.6 | 173.2 | -76.8 | 173 | 83.4 | 0 | 0 | 113.1 | S917 Y918 T919 T923 M925 | S917-Q921 WeakPolarHBondContact O-CG 3.33Å; S917-Q921 PolarHBondContact O-NE2 3.12Å; Y918-Q921 WeakPolarHBondContact O-CB 3.5Å; Y918-Q921 PolarHBondContact O-N 3.27Å; T919-Q921 PolarHBondContact O-N 3.05Å; Q921-T923 VanDerWaalsContact C-N 3.29Å; Q921-T923 PolarHBondContact O-N 2.98Å; Q921-M925 HydrophobicContact CB-CE 3.85Å; Q921-M925 HydrophobicContact CG-CE 4.42Å; Q921-M925 WeakPolarHBondContact O-CG 3.36Å; Q921-M925 VanDerWaalsContact O-SD 3.35Å |
| 922 | L | 80.8 | Confident | 82.4 | Confident | 15 Ų | 15 | 21.8 Ų | 21.8 | 8% | 0.079 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.8 | -34.4 | 177.3 | -168 | 65.6 | 0 | 0 | 0 | 111.7 | V782 A888 M891 Y918 T919 I920 G924 M925 L926 | V782-L922 HydrophobicContact CG1-CD1 4.09Å; V782-L922 HydrophobicContact CG2-CD1 4.15Å; A888-L922 HydrophobicContact CB-CG 4.3Å; M891-L922 HydrophobicContact CB-CD2 4.49Å; Y918-L922 PolarHBondContact O-N 3.1Å; T919-L922 WeakPolarHBondContact O-CB 3.41Å; T919-L922 PolarHBondContact O-N 3.03Å; I920-L922 VanDerWaalsContact C-N 3.31Å; L922-G924 PolarHBondContact O-N 3.45Å; L922-M925 PolarHBondContact O-N 3.3Å; L922-L926 PolarHBondContact O-N 3.05Å |
| 923 | T | 80.9 | Confident | 82.5 | Confident | 18 Ų | 18 | 23.6 Ų | 23.6 | 11% | 0.11 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.2 | 120.4 | 173.7 | -50.9 | 0 | 0 | 0 | 0 | 110.2 | E48 D885 Q921 M925 | E48-T923 WeakPolarHBondContact OE2-CB 3.49Å; E48-T923 WeakPolarHBondContact OE2-CG2 3.26Å; E48-T923 PolarHBondContact OE2-OG1 3.32Å; D885-T923 HydrophobicContact CB-CG2 4.48Å; Q921-T923 VanDerWaalsContact C-N 3.29Å; Q921-T923 PolarHBondContact O-N 2.98Å; T923-M925 VanDerWaalsContact C-N 3.31Å; T923-M925 PolarHBondContact O-N 2.71Å |
| 924 | G | 78.3 | Confident | 82.5 | Confident | 27 Ų | 27 | 25 Ų | 25 | 28% | 0.278 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | 86.6 | -28 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D885 L922 Q927 Y928 | D885-G924 VanDerWaalsContact OD1-CA 3.31Å; D885-G924 WeakPolarHBondContact OD1-CA 3.34Å; D885-G924 PolarHBondContact OD1-N 2.96Å; L922-G924 PolarHBondContact O-N 3.45Å; G924-Q927 VanDerWaalsContact O-CG 3.25Å; G924-Q927 WeakPolarHBondContact O-CG 3.48Å; G924-Y928 WeakPolarHBondContact O-CB 3.33Å; G924-Y928 PolarHBondContact O-N 3.2Å |
| 925 | M | 83.1 | Confident | 82.6 | Confident | 29 Ų | 29 | 27 Ų | 27 | 14% | 0.143 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.2 | -42.8 | 175.6 | -76.2 | -173.4 | -166.4 | 0 | 0 | 112 | F778 L781 V782 Q921 L922 T923 Q927 Y928 V929 | F778-M925 HydrophobicContact CD1-CG 4.08Å; F778-M925 HydrophobicContact CD1-SD 4.26Å; F778-M925 HydrophobicContact CE1-CE 4.45Å; F778-M925 HydrophobicContact CE1-CG 4.16Å; F778-M925 HydrophobicContact CE1-SD 4.41Å; L781-M925 HydrophobicContact CD2-CE 3.72Å; L781-M925 HydrophobicContact CD2-SD 3.66Å; L781-M925 HydrophobicContact CG-SD 4.13Å; V782-M925 HydrophobicContact CG2-CB 4.27Å; Q921-M925 HydrophobicContact CB-CE 3.85Å; Q921-M925 HydrophobicContact CG-CE 4.42Å; Q921-M925 WeakPolarHBondContact O-CG 3.36Å; Q921-M925 VanDerWaalsContact O-SD 3.35Å; L922-M925 PolarHBondContact O-N 3.3Å; T923-M925 VanDerWaalsContact C-N 3.31Å; T923-M925 PolarHBondContact O-N 2.71Å; M925-Q927 PolarHBondContact O-N 3.49Å; M925-Y928 WeakPolarHBondContact O-CA 3.2Å; M925-Y928 WeakPolarHBondContact O-CB 3.32Å; M925-Y928 PolarHBondContact O-N 3.48Å; M925-V929 PolarHBondContact O-N 2.91Å |
| 926 | L | 82.4 | Confident | 82.6 | Confident | 25 Ų | 25 | 27.3 Ų | 27.3 | 13% | 0.131 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | -176.9 | -170.7 | 63.4 | 0 | 0 | 0 | 112.3 | F807 L884 L922 Y928 V929 V930 | F807-L926 HydrophobicContact CD2-CD1 4.25Å; F807-L926 HydrophobicContact CD2-CD2 4.02Å; F807-L926 HydrophobicContact CD2-CG 4.3Å; F807-L926 HydrophobicContact CE2-CD1 3.59Å; F807-L926 HydrophobicContact CE2-CD2 4.02Å; F807-L926 HydrophobicContact CE2-CG 3.78Å; F807-L926 HydrophobicContact CZ-CD1 3.81Å; F807-L926 HydrophobicContact CZ-CG 4.48Å; L884-L926 HydrophobicContact CB-CD2 4.46Å; L884-L926 HydrophobicContact CD2-CD2 4.12Å; L884-L926 HydrophobicContact CD2-CG 4.37Å; L922-L926 PolarHBondContact O-N 3.05Å; L926-Y928 VanDerWaalsContact C-N 3.26Å; L926-Y928 PolarHBondContact O-N 2.86Å; L926-V929 PolarHBondContact O-N 3.43Å; L926-V930 WeakPolarHBondContact O-CG2 3.33Å; L926-V930 PolarHBondContact O-N 3.36Å |
| 927 | Q | 85.3 | Confident | 82.5 | Confident | 23 Ų | 23 | 28.5 Ų | 28.5 | 11% | 0.107 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -27.6 | 173.3 | 60.8 | 156.8 | -59.3 | 0 | 0 | 113.4 | S881 L884 D885 G924 M925 R931 | S881-Q927 VanDerWaalsContact CB-OE1 3.28Å; S881-Q927 PolarHBondContact OG-OE1 2.72Å; L884-Q927 HydrophobicContact CB-CB 4.09Å; L884-Q927 HydrophobicContact CD1-CB 4.17Å; D885-Q927 PolarHBondContact OD1-NE2 3.3Å; D885-Q927 PolarHBondContact OD2-NE2 3.32Å; G924-Q927 VanDerWaalsContact O-CG 3.25Å; G924-Q927 WeakPolarHBondContact O-CG 3.48Å; M925-Q927 PolarHBondContact O-N 3.49Å; Q927-R931 WeakPolarHBondContact O-CB 3.15Å; Q927-R931 PolarHBondContact O-N 3.14Å; Q927-R931 VanDerWaalsContact O-N 3.08Å |
| 928 | Y | 85.1 | Confident | 82.5 | Confident | 70 Ų | 70 | 29.2 Ų | 29.2 | 28% | 0.275 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72 | -46.1 | 179.1 | -167.5 | -79.4 | 0 | 0 | 0 | 110.4 | P774 F778 G924 M925 L926 V930 R931 Q932 | P774-Y928 HydrophobicContact CB-CE1 4.26Å; F778-Y928 AromaticContact CD2-CD1 3.45Å; F778-Y928 HydrophobicContact CD2-CD1 3.45Å; F778-Y928 VanDerWaalsContact CD2-CD1 3.45Å; F778-Y928 AromaticContact CD2-CE1 3.36Å; F778-Y928 HydrophobicContact CD2-CE1 3.36Å; F778-Y928 HydrophobicContact CD2-CG 4.48Å; F778-Y928 AromaticContact CE2-CD1 3.74Å; F778-Y928 HydrophobicContact CE2-CD1 3.74Å; F778-Y928 AromaticContact CE2-CE1 3.38Å; F778-Y928 HydrophobicContact CE2-CE1 3.38Å; F778-Y928 AromaticContact CE2-CZ 3.93Å; F778-Y928 HydrophobicContact CG-CD1 4.03Å; F778-Y928 HydrophobicContact CG-CE1 4.37Å; F778-Y928 HydrophobicContact CZ-CE1 4.39Å; G924-Y928 WeakPolarHBondContact O-CB 3.33Å; G924-Y928 PolarHBondContact O-N 3.2Å; M925-Y928 WeakPolarHBondContact O-CA 3.2Å; M925-Y928 WeakPolarHBondContact O-CB 3.32Å; M925-Y928 PolarHBondContact O-N 3.48Å; L926-Y928 VanDerWaalsContact C-N 3.26Å; L926-Y928 PolarHBondContact O-N 2.86Å; Y928-V930 VanDerWaalsContact C-N 3.34Å; Y928-V930 PolarHBondContact O-N 3.26Å; Y928-R931 VanDerWaalsContact CD2-NH2 3.31Å; Y928-R931 PolarHBondContact O-N 2.99Å; Y928-Q932 HydrophobicContact CD1-CG 3.65Å; Y928-Q932 HydrophobicContact CE1-CG 3.38Å; Y928-Q932 WeakPolarHBondContact O-CG 3.3Å; Y928-Q932 PolarHBondContact O-N 3.31Å; Y928-Q932 PolarHBondContact OH-NE2 3.1Å |
| 929 | V | 86.5 | Confident | 82.5 | Confident | 19 Ų | 19 | 31.8 Ų | 31.8 | 12% | 0.115 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -52.6 | -51.7 | 173.1 | 169.3 | 0 | 0 | 0 | 0 | 111 | F775 F778 C779 V782 M925 L926 R931 Q932 S933 | F775-V929 HydrophobicContact CE2-CG1 4.29Å; F778-V929 HydrophobicContact CB-CG2 3.6Å; C779-V929 VanDerWaalsContact SG-CG1 3.52Å; V782-V929 HydrophobicContact CG2-CG2 4.26Å; M925-V929 PolarHBondContact O-N 2.91Å; L926-V929 PolarHBondContact O-N 3.43Å; V929-R931 PolarHBondContact O-N 2.67Å; V929-Q932 PolarHBondContact O-N 3.1Å; V929-S933 WeakPolarHBondContact O-CB 3.16Å; V929-S933 PolarHBondContact O-N 2.88Å |
| 930 | V | 84.6 | Confident | 82.6 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | -176.6 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | F807 L811 L880 L884 L926 Y928 T934 | F807-V930 HydrophobicContact CE2-CG2 3.82Å; F807-V930 HydrophobicContact CZ-CG2 3.8Å; L811-V930 HydrophobicContact CD1-CG2 4.29Å; L811-V930 HydrophobicContact CD2-CB 4.35Å; L811-V930 HydrophobicContact CD2-CG1 3.48Å; L811-V930 VanDerWaalsContact CD2-CG1 3.48Å; L811-V930 HydrophobicContact CD2-CG2 3.87Å; L880-V930 HydrophobicContact CD2-CG1 3.81Å; L884-V930 HydrophobicContact CD1-CB 4.03Å; L884-V930 HydrophobicContact CD1-CG1 4.36Å; L884-V930 HydrophobicContact CD1-CG2 3.86Å; L926-V930 WeakPolarHBondContact O-CG2 3.33Å; L926-V930 PolarHBondContact O-N 3.36Å; Y928-V930 VanDerWaalsContact C-N 3.34Å; Y928-V930 PolarHBondContact O-N 3.26Å; V930-T934 PolarHBondContact O-N 3.01Å; V930-T934 VanDerWaalsContact O-N 3.13Å; V930-T934 PolarHBondContact O-OG1 3.42Å |
| 931 | R | 82.7 | Confident | 82.7 | Confident | 77 Ų | 77 | 33 Ų | 33 | 29% | 0.291 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.6 | -42.9 | 175.4 | -169.6 | 178.2 | 66.5 | -117 | -5.4 | 111.8 | Q927 Y928 V929 T934 E935 | Q927-R931 WeakPolarHBondContact O-CB 3.15Å; Q927-R931 PolarHBondContact O-N 3.14Å; Q927-R931 VanDerWaalsContact O-N 3.08Å; Y928-R931 VanDerWaalsContact CD2-NH2 3.31Å; Y928-R931 PolarHBondContact O-N 2.99Å; V929-R931 PolarHBondContact O-N 2.67Å; R931-T934 WeakPolarHBondContact O-CB 3.2Å; R931-T934 PolarHBondContact O-N 3.4Å; R931-E935 PolarHBondContact O-N 3.21Å |
| 932 | Q | 84.7 | Confident | 83 | Confident | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.065 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.1 | -35.3 | 177.2 | -62.8 | -62.3 | 15.1 | 0 | 0 | 112.2 | H771 F775 Y928 V929 T934 E935 V936 | H771-Q932 PolarHBondContact ND1-OE1 3.45Å; F775-Q932 HydrophobicContact CB-CB 3.99Å; F775-Q932 HydrophobicContact CD2-CB 4.28Å; Y928-Q932 HydrophobicContact CD1-CG 3.65Å; Y928-Q932 HydrophobicContact CE1-CG 3.38Å; Y928-Q932 WeakPolarHBondContact O-CG 3.3Å; Y928-Q932 PolarHBondContact O-N 3.31Å; Y928-Q932 PolarHBondContact OH-NE2 3.1Å; V929-Q932 PolarHBondContact O-N 3.1Å; Q932-T934 VanDerWaalsContact C-N 3.3Å; Q932-T934 PolarHBondContact O-N 3.17Å; Q932-E935 PolarHBondContact O-N 2.96Å; Q932-V936 WeakPolarHBondContact O-CB 3.31Å; Q932-V936 VanDerWaalsContact O-CG2 3.3Å; Q932-V936 WeakPolarHBondContact O-CG2 3.18Å; Q932-V936 PolarHBondContact O-N 3.36Å |
| 933 | S | 84.3 | Confident | 83.2 | Confident | 37 Ų | 37 | 29.5 Ų | 29.5 | 26% | 0.259 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -56 | -45.8 | 170.6 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | V929 E935 V936 E937 | V929-S933 WeakPolarHBondContact O-CB 3.16Å; V929-S933 PolarHBondContact O-N 2.88Å; S933-E935 PolarHBondContact O-N 3.48Å; S933-V936 PolarHBondContact O-N 3.36Å; S933-E937 WeakPolarHBondContact O-CB 3.44Å; S933-E937 PolarHBondContact O-N 3.48Å |
| 934 | T | 80.6 | Confident | 83.4 | Confident | 29 Ų | 29 | 29.9 Ų | 29.9 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 177 | -48.8 | 0 | 0 | 0 | 0 | 112.6 | I818 V930 R931 Q932 A938 | I818-T934 HydrophobicContact CG2-CG2 4.15Å; V930-T934 PolarHBondContact O-N 3.01Å; V930-T934 VanDerWaalsContact O-N 3.13Å; V930-T934 PolarHBondContact O-OG1 3.42Å; R931-T934 WeakPolarHBondContact O-CB 3.2Å; R931-T934 PolarHBondContact O-N 3.4Å; Q932-T934 VanDerWaalsContact C-N 3.3Å; Q932-T934 PolarHBondContact O-N 3.17Å; T934-A938 VanDerWaalsContact O-CB 3.31Å; T934-A938 WeakPolarHBondContact O-CB 3.42Å; T934-A938 PolarHBondContact O-N 3.04Å |
| 935 | E | 82.3 | Confident | 83.7 | Confident | 44 Ų | 44 | 31.9 Ų | 31.9 | 21% | 0.206 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.5 | -42 | 175.1 | -74.6 | -66.9 | 159.6 | 0 | 0 | 111.9 | R931 Q932 S933 A938 R939 | R931-E935 PolarHBondContact O-N 3.21Å; Q932-E935 PolarHBondContact O-N 2.96Å; S933-E935 PolarHBondContact O-N 3.48Å; E935-A938 WeakPolarHBondContact O-CB 3.34Å; E935-A938 PolarHBondContact O-N 3.3Å; E935-R939 VanDerWaalsContact O-CG 3.31Å; E935-R939 WeakPolarHBondContact O-CG 3.46Å; E935-R939 PolarHBondContact O-N 3.36Å; E935-R939 IonicContact OE2-CZ 3.13Å; E935-R939 IonicContact OE2-NE 3.3Å; E935-R939 PolarHBondContact OE2-NE 2.9Å; E935-R939 IonicContact OE2-NH2 2.78Å; E935-R939 PolarHBondContact OE2-NH2 2.75Å |
| 936 | V | 84.6 | Confident | 83.7 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 176.7 | 162.6 | 0 | 0 | 0 | 0 | 111.1 | H771 M772 F775 Q932 S933 A938 R939 F940 | H771-V936 HydrophobicContact CB-CG2 4.09Å; M772-V936 HydrophobicContact CG-CG1 4.49Å; M772-V936 HydrophobicContact CG-CG2 4.16Å; M772-V936 HydrophobicContact SD-CB 4.3Å; M772-V936 HydrophobicContact SD-CG1 3.41Å; M772-V936 WeakPolarHBondContact SD-CG1 3.48Å; M772-V936 HydrophobicContact SD-CG2 3.82Å; F775-V936 HydrophobicContact CB-CG2 4.14Å; F775-V936 HydrophobicContact CD1-CG2 4.35Å; F775-V936 HydrophobicContact CG-CG2 4.31Å; Q932-V936 WeakPolarHBondContact O-CB 3.31Å; Q932-V936 VanDerWaalsContact O-CG2 3.3Å; Q932-V936 WeakPolarHBondContact O-CG2 3.18Å; Q932-V936 PolarHBondContact O-N 3.36Å; S933-V936 PolarHBondContact O-N 3.36Å; V936-A938 VanDerWaalsContact C-N 3.27Å; V936-A938 PolarHBondContact O-N 3.04Å; V936-R939 PolarHBondContact O-N 3.02Å; V936-R939 VanDerWaalsContact O-N 3.15Å; V936-F940 HydrophobicContact CG1-CD2 3.78Å; V936-F940 HydrophobicContact CG1-CE2 3.85Å; V936-F940 WeakPolarHBondContact O-CD2 3.46Å; V936-F940 PolarHBondContact O-N 3Å |
| 937 | E | 82.8 | Confident | 83.6 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 14% | 0.14 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.7 | -44.5 | 173 | -172.2 | -174.4 | 177.4 | 0 | 0 | 110.4 | S639 V640 R819 S933 R939 F940 N941 | S639-E937 WeakPolarHBondContact CB-OE1 3.4Å; V640-E937 HydrophobicContact CG2-CG 4.36Å; R819-E937 WeakPolarHBondContact CD-OE1 3.21Å; R819-E937 IonicContact CZ-OE1 3.79Å; R819-E937 IonicContact NH1-OE1 2.96Å; R819-E937 PolarHBondContact NH1-OE1 3.45Å; R819-E937 IonicContact NH1-OE2 2.7Å; R819-E937 PolarHBondContact NH1-OE2 2.83Å; S933-E937 WeakPolarHBondContact O-CB 3.44Å; S933-E937 PolarHBondContact O-N 3.48Å; E937-R939 VanDerWaalsContact C-N 3.34Å; E937-R939 PolarHBondContact O-N 2.86Å; E937-F940 PolarHBondContact O-N 3.28Å; E937-N941 PolarHBondContact O-N 3.43Å; E937-N941 PolarHBondContact O-ND2 2.85Å; E937-N941 VanDerWaalsContact O-ND2 3.14Å |
| 938 | A | 78.9 | Confident | 83.5 | Confident | 41 Ų | 41 | 32 Ų | 32 | 34% | 0.339 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.5 | -37.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | T934 E935 V936 N941 | T934-A938 VanDerWaalsContact O-CB 3.31Å; T934-A938 WeakPolarHBondContact O-CB 3.42Å; T934-A938 PolarHBondContact O-N 3.04Å; E935-A938 WeakPolarHBondContact O-CB 3.34Å; E935-A938 PolarHBondContact O-N 3.3Å; V936-A938 VanDerWaalsContact C-N 3.27Å; V936-A938 PolarHBondContact O-N 3.04Å; A938-N941 WeakPolarHBondContact CA-ND2 3.5Å; A938-N941 PolarHBondContact O-ND2 2.87Å; A938-N941 VanDerWaalsContact O-ND2 3.08Å |
| 939 | R | 82.6 | Confident | 83.4 | Confident | 59 Ų | 59 | 29.7 Ų | 29.7 | 22% | 0.223 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -79.8 | -29.5 | 178 | -54.6 | -36.7 | 161.1 | 141.1 | -8.2 | 113.3 | E763 V767 L768 E935 V936 E937 N941 S942 | E763-R939 VanDerWaalsContact CD-NH1 3.31Å; E763-R939 IonicContact OE1-NH1 2.91Å; E763-R939 PolarHBondContact OE1-NH1 3.03Å; E763-R939 VanDerWaalsContact OE1-NH1 3.15Å; E763-R939 WeakPolarHBondContact OE2-CD 3.46Å; E763-R939 IonicContact OE2-CZ 2.87Å; E763-R939 IonicContact OE2-NE 3.28Å; E763-R939 IonicContact OE2-NH1 2.67Å; E763-R939 PolarHBondContact OE2-NH1 3.34Å; V767-R939 HydrophobicContact CG1-CG 4.33Å; L768-R939 HydrophobicContact CB-CB 4.44Å; L768-R939 HydrophobicContact CD1-CB 4Å; E935-R939 VanDerWaalsContact O-CG 3.31Å; E935-R939 WeakPolarHBondContact O-CG 3.46Å; E935-R939 PolarHBondContact O-N 3.36Å; E935-R939 IonicContact OE2-CZ 3.13Å; E935-R939 IonicContact OE2-NE 3.3Å; E935-R939 PolarHBondContact OE2-NE 2.9Å; E935-R939 IonicContact OE2-NH2 2.78Å; E935-R939 PolarHBondContact OE2-NH2 2.75Å; V936-R939 PolarHBondContact O-N 3.02Å; V936-R939 VanDerWaalsContact O-N 3.15Å; E937-R939 VanDerWaalsContact C-N 3.34Å; E937-R939 PolarHBondContact O-N 2.86Å; R939-N941 PolarHBondContact O-N 3.06Å; R939-S942 VanDerWaalsContact O-CB 3.28Å; R939-S942 WeakPolarHBondContact O-CB 3.49Å; R939-S942 PolarHBondContact O-N 3.43Å |
| 940 | F | 85.7 | Confident | 83.1 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.3 | -25.4 | 174.2 | -93.2 | -73.7 | 0 | 0 | 0 | 113.3 | V640 V644 Y645 Y648 L768 M772 V936 E937 S942 V943 E944 | V640-F940 HydrophobicContact CB-CB 4.49Å; V640-F940 HydrophobicContact CG1-CB 4.06Å; V640-F940 HydrophobicContact CG2-CB 3.89Å; V644-F940 HydrophobicContact CG1-CD1 4.08Å; Y645-F940 HydrophobicContact CD1-CD1 4.3Å; Y645-F940 HydrophobicContact CD1-CD2 4.4Å; Y645-F940 AromaticContact CD1-CE1 3.99Å; Y645-F940 HydrophobicContact CD1-CE1 3.99Å; Y645-F940 HydrophobicContact CD1-CE2 4.09Å; Y645-F940 HydrophobicContact CD1-CG 4.5Å; Y645-F940 AromaticContact CD1-CZ 3.89Å; Y645-F940 HydrophobicContact CD1-CZ 3.89Å; Y645-F940 HydrophobicContact CE1-CD1 4.08Å; Y645-F940 AromaticContact CE1-CD2 3.55Å; Y645-F940 HydrophobicContact CE1-CD2 3.55Å; Y645-F940 HydrophobicContact CE1-CE1 4.08Å; Y645-F940 AromaticContact CE1-CE2 3.55Å; Y645-F940 HydrophobicContact CE1-CE2 3.55Å; Y645-F940 AromaticContact CE1-CG 3.83Å; Y645-F940 HydrophobicContact CE1-CG 3.83Å; Y645-F940 AromaticContact CE1-CZ 3.83Å; Y645-F940 HydrophobicContact CE1-CZ 3.83Å; Y648-F940 AromaticContact CD1-CE1 3.95Å; Y648-F940 HydrophobicContact CD1-CE1 3.95Å; Y648-F940 HydrophobicContact CD1-CZ 4.03Å; Y648-F940 HydrophobicContact CE1-CE1 4.42Å; Y648-F940 HydrophobicContact CE1-CZ 4.18Å; Y648-F940 HydrophobicContact CG-CE1 4Å; L768-F940 HydrophobicContact CD1-CD2 3.98Å; L768-F940 HydrophobicContact CD1-CE2 3.81Å; L768-F940 HydrophobicContact CD1-CZ 4.32Å; L768-F940 HydrophobicContact CD2-CE1 4.4Å; L768-F940 HydrophobicContact CD2-CZ 4.26Å; M772-F940 HydrophobicContact CE-CE2 4.25Å; M772-F940 HydrophobicContact CE-CZ 4.45Å; M772-F940 HydrophobicContact SD-CE2 3.84Å; V936-F940 HydrophobicContact CG1-CD2 3.78Å; V936-F940 HydrophobicContact CG1-CE2 3.85Å; V936-F940 WeakPolarHBondContact O-CD2 3.46Å; V936-F940 PolarHBondContact O-N 3Å; E937-F940 PolarHBondContact O-N 3.28Å; F940-S942 PolarHBondContact O-N 3.28Å; F940-V943 HydrophobicContact CD1-CB 4.1Å; F940-V943 HydrophobicContact CD1-CG2 3.88Å; F940-V943 HydrophobicContact CE1-CG2 4.32Å; F940-V943 WeakPolarHBondContact O-CA 3.26Å; F940-V943 WeakPolarHBondContact O-CB 3.39Å; F940-V943 PolarHBondContact O-N 2.97Å; F940-E944 PolarHBondContact O-N 2.92Å |
| 941 | N | 82.9 | Confident | 82.7 | Confident | 56 Ų | 56 | 33.7 Ų | 33.7 | 30% | 0.299 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.4 | -25.3 | 168.3 | -58.4 | -57.9 | 0 | 0 | 0 | 113.2 | V640 E937 A938 R939 R945 | V640-N941 WeakPolarHBondContact CG2-OD1 3.48Å; E937-N941 PolarHBondContact O-N 3.43Å; E937-N941 PolarHBondContact O-ND2 2.85Å; E937-N941 VanDerWaalsContact O-ND2 3.14Å; A938-N941 WeakPolarHBondContact CA-ND2 3.5Å; A938-N941 PolarHBondContact O-ND2 2.87Å; A938-N941 VanDerWaalsContact O-ND2 3.08Å; R939-N941 PolarHBondContact O-N 3.06Å; N941-R945 WeakPolarHBondContact O-CB 3.17Å; N941-R945 VanDerWaalsContact O-CG 3.26Å; N941-R945 WeakPolarHBondContact O-CG 3.41Å; N941-R945 PolarHBondContact O-N 3.37Å; N941-R945 PolarHBondContact O-NE 2.78Å |
| 942 | S | 84.3 | Confident | 82.5 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.9 | -38 | 172.4 | -56 | 0 | 0 | 0 | 0 | 111.7 | D760 R939 F940 R945 L946 | D760-S942 PolarHBondContact OD1-OG 3.45Å; R939-S942 VanDerWaalsContact O-CB 3.28Å; R939-S942 WeakPolarHBondContact O-CB 3.49Å; R939-S942 PolarHBondContact O-N 3.43Å; F940-S942 PolarHBondContact O-N 3.28Å; S942-R945 VanDerWaalsContact CA-NH2 3.27Å; S942-R945 PolarHBondContact O-N 2.85Å; S942-R945 PolarHBondContact OG-NH2 2.96Å; S942-L946 WeakPolarHBondContact O-CG 3.38Å; S942-L946 PolarHBondContact O-N 2.96Å; S942-L946 VanDerWaalsContact O-N 3.14Å |
| 943 | V | 84.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.2 | -45.4 | 176.3 | -167.3 | 0 | 0 | 0 | 0 | 110.4 | V644 Y648 L764 L768 F940 R945 L946 L947 | V644-V943 HydrophobicContact CG1-CB 4.22Å; V644-V943 HydrophobicContact CG1-CG1 4.25Å; Y648-V943 HydrophobicContact CD2-CG1 4.16Å; L764-V943 HydrophobicContact CD1-CG1 4.31Å; L764-V943 HydrophobicContact CD1-CG2 3.77Å; L768-V943 HydrophobicContact CD2-CG2 3.95Å; F940-V943 HydrophobicContact CD1-CB 4.1Å; F940-V943 HydrophobicContact CD1-CG2 3.88Å; F940-V943 HydrophobicContact CE1-CG2 4.32Å; F940-V943 WeakPolarHBondContact O-CA 3.26Å; F940-V943 WeakPolarHBondContact O-CB 3.39Å; F940-V943 PolarHBondContact O-N 2.97Å; V943-R945 VanDerWaalsContact C-N 3.35Å; V943-R945 PolarHBondContact O-N 3.47Å; V943-L946 PolarHBondContact O-N 3.35Å; V943-L946 VanDerWaalsContact O-N 3.11Å; V943-L947 HydrophobicContact CG1-CD1 3.95Å; V943-L947 HydrophobicContact CG1-CG 4.44Å; V943-L947 WeakPolarHBondContact O-CB 3.37Å; V943-L947 WeakPolarHBondContact O-CG 3.49Å; V943-L947 PolarHBondContact O-N 3.2Å |
| 944 | E | 84.5 | Confident | 82.1 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.1 | -46.4 | 175.1 | -168.1 | 161 | -121.8 | 0 | 0 | 111.6 | S641 V644 F940 L946 L947 E948 | S641-E944 PolarHBondContact N-OE1 3.38Å; S641-E944 VanDerWaalsContact N-OE1 3.14Å; V644-E944 HydrophobicContact CG1-CB 4.21Å; V644-E944 HydrophobicContact CG2-CB 3.74Å; V644-E944 HydrophobicContact CG2-CG 3.52Å; V644-E944 WeakPolarHBondContact CG2-OE1 3.5Å; F940-E944 PolarHBondContact O-N 2.92Å; E944-L946 VanDerWaalsContact C-N 3.29Å; E944-L946 PolarHBondContact O-N 2.78Å; E944-L947 PolarHBondContact O-N 2.96Å; E944-E948 WeakPolarHBondContact O-CB 3.45Å; E944-E948 PolarHBondContact O-N 3.34Å |
| 945 | R | 84.4 | Confident | 82.2 | Confident | 68 Ų | 68 | 43 Ų | 43 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.3 | -16.1 | 177.5 | -72.9 | 178.3 | -63.4 | 119.2 | -1.2 | 115 | R756 D760 N941 S942 V943 Y949 | R756-R945 WeakPolarHBondContact CD-O 3.35Å; R756-R945 PolarHBondContact NE-O 3.4Å; D760-R945 IonicContact OD1-CZ 2.77Å; D760-R945 IonicContact OD1-NH1 2.79Å; D760-R945 PolarHBondContact OD1-NH1 3.45Å; D760-R945 IonicContact OD1-NH2 3.79Å; D760-R945 PolarHBondContact OD1-NH2 3.44Å; D760-R945 IonicContact OD2-CZ 3.25Å; D760-R945 IonicContact OD2-NH1 3.63Å; D760-R945 PolarHBondContact OD2-NH1 2.87Å; N941-R945 WeakPolarHBondContact O-CB 3.17Å; N941-R945 VanDerWaalsContact O-CG 3.26Å; N941-R945 WeakPolarHBondContact O-CG 3.41Å; N941-R945 PolarHBondContact O-N 3.37Å; N941-R945 PolarHBondContact O-NE 2.78Å; S942-R945 VanDerWaalsContact CA-NH2 3.27Å; S942-R945 PolarHBondContact O-N 2.85Å; S942-R945 PolarHBondContact OG-NH2 2.96Å; V943-R945 VanDerWaalsContact C-N 3.35Å; V943-R945 PolarHBondContact O-N 3.47Å; R945-Y949 WeakPolarHBondContact O-CD2 3.39Å |
| 946 | L | 83.6 | Confident | 82.5 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -87.2 | -41.3 | 169.3 | -67.9 | 168.2 | 0 | 0 | 0 | 110.8 | L733 R756 D760 L764 S942 V943 E944 E948 Y949 I950 | L733-L946 HydrophobicContact CD2-CD2 3.88Å; R756-L946 HydrophobicContact CB-CD2 3.93Å; D760-L946 HydrophobicContact CB-CD1 4.35Å; D760-L946 HydrophobicContact CB-CD2 4.26Å; D760-L946 HydrophobicContact CB-CG 4.25Å; L764-L946 HydrophobicContact CB-CD1 4.49Å; L764-L946 HydrophobicContact CD2-CD1 4.2Å; S942-L946 WeakPolarHBondContact O-CG 3.38Å; S942-L946 PolarHBondContact O-N 2.96Å; S942-L946 VanDerWaalsContact O-N 3.14Å; V943-L946 PolarHBondContact O-N 3.35Å; V943-L946 VanDerWaalsContact O-N 3.11Å; E944-L946 VanDerWaalsContact C-N 3.29Å; E944-L946 PolarHBondContact O-N 2.78Å; L946-E948 VanDerWaalsContact C-N 3.33Å; L946-E948 PolarHBondContact O-N 3.39Å; L946-Y949 PolarHBondContact O-N 3.25Å; L946-I950 WeakPolarHBondContact O-CB 3.43Å; L946-I950 WeakPolarHBondContact O-CG1 3.44Å; L946-I950 PolarHBondContact O-N 3.41Å |
| 947 | L | 81.9 | Confident | 82.5 | Confident | 13 Ų | 13 | 43 Ų | 43 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -33.4 | 176.5 | -72.6 | 168.9 | 0 | 0 | 0 | 112.8 | V644 Q647 V943 E944 I950 T951 | V644-L947 HydrophobicContact CG1-CD1 4.04Å; Q647-L947 HydrophobicContact CB-CD1 3.85Å; Q647-L947 HydrophobicContact CB-CD2 4.08Å; V943-L947 HydrophobicContact CG1-CD1 3.95Å; V943-L947 HydrophobicContact CG1-CG 4.44Å; V943-L947 WeakPolarHBondContact O-CB 3.37Å; V943-L947 WeakPolarHBondContact O-CG 3.49Å; V943-L947 PolarHBondContact O-N 3.2Å; E944-L947 PolarHBondContact O-N 2.96Å; L947-I950 PolarHBondContact O-N 2.93Å; L947-T951 WeakPolarHBondContact O-CB 3.29Å; L947-T951 WeakPolarHBondContact O-CG2 3.42Å; L947-T951 PolarHBondContact O-N 2.88Å; L947-T951 PolarHBondContact O-OG1 3Å |
| 948 | E | 82.8 | Confident | 82.7 | Confident | 59 Ų | 59 | 45.4 Ų | 45.4 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55 | -54.9 | 169.6 | -179.3 | 178.5 | -123.2 | 0 | 0 | 110.8 | Q636 E944 L946 I950 T951 T952 | Q636-E948 PolarHBondContact NE2-OE1 3.45Å; E944-E948 WeakPolarHBondContact O-CB 3.45Å; E944-E948 PolarHBondContact O-N 3.34Å; L946-E948 VanDerWaalsContact C-N 3.33Å; L946-E948 PolarHBondContact O-N 3.39Å; E948-I950 VanDerWaalsContact C-N 3.3Å; E948-I950 PolarHBondContact O-N 3Å; E948-T951 PolarHBondContact O-N 3.02Å; E948-T951 VanDerWaalsContact O-N 3.12Å; E948-T952 VanDerWaalsContact O-CB 3.23Å; E948-T952 WeakPolarHBondContact O-CB 3.34Å; E948-T952 PolarHBondContact O-N 3.38Å; E948-T952 PolarHBondContact O-OG1 3.08Å |
| 949 | Y | 81.9 | Confident | 83 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 177.7 | -81.1 | -116.2 | 0 | 0 | 0 | 112 | I737 F744 T748 R752 R945 L946 T951 C953 | I737-Y949 HydrophobicContact CD1-CD1 4.13Å; F744-Y949 HydrophobicContact CE2-CD1 4.17Å; F744-Y949 AromaticContact CE2-CE1 3.9Å; F744-Y949 HydrophobicContact CE2-CE1 3.9Å; F744-Y949 AromaticContact CZ-CD1 3.89Å; F744-Y949 HydrophobicContact CZ-CD1 3.89Å; F744-Y949 AromaticContact CZ-CE1 3.69Å; F744-Y949 HydrophobicContact CZ-CE1 3.69Å; T748-Y949 HydrophobicContact CG2-CE1 4.32Å; T748-Y949 WeakPolarHBondContact CG2-OH 3.39Å; R752-Y949 WeakPolarHBondContact CD-OH 3.3Å; R945-Y949 WeakPolarHBondContact O-CD2 3.39Å; L946-Y949 PolarHBondContact O-N 3.25Å; Y949-T951 VanDerWaalsContact C-N 3.27Å; Y949-T951 PolarHBondContact O-N 3.18Å; Y949-C953 WeakPolarHBondContact O-CB 3.47Å; Y949-C953 PolarHBondContact O-N 3.41Å; Y949-C953 PolarHBondContact O-SG 3.36Å |
| 950 | I | 79.9 | Confident | 83.1 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 16% | 0.164 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.9 | -23.3 | 176.7 | -77.3 | 169.6 | 0 | 0 | 0 | 113.5 | F732 L733 L946 L947 E948 | F732-I950 HydrophobicContact CD1-CB 4.48Å; F732-I950 HydrophobicContact CD1-CG1 4.28Å; F732-I950 HydrophobicContact CD1-CG2 3.84Å; F732-I950 HydrophobicContact CE1-CG2 3.79Å; L733-I950 HydrophobicContact CB-CD1 4.34Å; L733-I950 HydrophobicContact CB-CG1 4.29Å; L733-I950 HydrophobicContact CD1-CD1 4.39Å; L733-I950 HydrophobicContact CD1-CG1 3.89Å; L946-I950 WeakPolarHBondContact O-CB 3.43Å; L946-I950 WeakPolarHBondContact O-CG1 3.44Å; L946-I950 PolarHBondContact O-N 3.41Å; L947-I950 PolarHBondContact O-N 2.93Å; E948-I950 VanDerWaalsContact C-N 3.3Å; E948-I950 PolarHBondContact O-N 3Å |
| 951 | T | 77.8 | Confident | 83.1 | Confident | 76 Ų | 76 | 51.2 Ų | 51.2 | 47% | 0.466 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -119.6 | -17.3 | -174 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | L947 E948 Y949 | L947-T951 WeakPolarHBondContact O-CB 3.29Å; L947-T951 WeakPolarHBondContact O-CG2 3.42Å; L947-T951 PolarHBondContact O-N 2.88Å; L947-T951 PolarHBondContact O-OG1 3Å; E948-T951 PolarHBondContact O-N 3.02Å; E948-T951 VanDerWaalsContact O-N 3.12Å; Y949-T951 VanDerWaalsContact C-N 3.27Å; Y949-T951 PolarHBondContact O-N 3.18Å |
| 952 | T | 77 | Confident | 82.4 | Confident | 101 Ų | 101 | 59.3 Ų | 59.3 | 62% | 0.62 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -106 | -20.2 | -177.6 | -51.7 | 0 | 0 | 0 | 0 | 113.1 | E948 K954 | E948-T952 VanDerWaalsContact O-CB 3.23Å; E948-T952 WeakPolarHBondContact O-CB 3.34Å; E948-T952 PolarHBondContact O-N 3.38Å; E948-T952 PolarHBondContact O-OG1 3.08Å; T952-K954 PolarHBondContact O-N 2.86Å; T952-K954 VanDerWaalsContact O-N 3.15Å |
| 953 | C | 80.2 | Confident | 81.6 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | trans | -65.9 | 115.4 | 172 | -66.7 | 0 | 0 | 0 | 0 | 110.1 | Y949 | Y949-C953 WeakPolarHBondContact O-CB 3.47Å; Y949-C953 PolarHBondContact O-N 3.41Å; Y949-C953 PolarHBondContact O-SG 3.36Å | ||
| 954 | K | 80.5 | Confident | 81 | Confident | 153 Ų | 153 | 63.8 Ų | 63.8 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 131.4 | 166 | -64.6 | -177.3 | -178 | 179.1 | 0 | 108.1 | P741 T952 E987 | P741-K954 WeakPolarHBondContact CD-O 3.49Å; T952-K954 PolarHBondContact O-N 2.86Å; T952-K954 VanDerWaalsContact O-N 3.15Å; K954-E987 IonicContact NZ-OE1 3.19Å |
| 955 | S | 83.8 | Confident | 80.2 | Confident | 76 Ų | 76 | 72 Ų | 72 | 53% | 0.531 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 144.5 | 166.4 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 956 | E | 87.6 | Confident | 79.9 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 11% | 0.112 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 168.8 | 160.2 | -156.4 | -177.5 | 172.4 | 0 | 0 | 110.3 | K188 A739 P741 L1046 R1050 | K188-E956 IonicContact NZ-OE2 2.76Å; K188-E956 PolarHBondContact NZ-OE2 2.89Å; A739-E956 VanDerWaalsContact O-CB 3.23Å; A739-E956 WeakPolarHBondContact O-CB 3.45Å; A739-E956 PolarHBondContact O-N 2.83Å; P741-E956 HydrophobicContact CB-CG 4.41Å; E956-L1046 HydrophobicContact CG-CD1 3.63Å; E956-L1046 WeakPolarHBondContact OE1-CD1 3.15Å; E956-R1050 IonicContact OE1-CZ 2.8Å; E956-R1050 IonicContact OE1-NH1 2.8Å; E956-R1050 PolarHBondContact OE1-NH1 3.25Å; E956-R1050 VanDerWaalsContact OE1-NH1 3.09Å; E956-R1050 IonicContact OE1-NH2 2.89Å; E956-R1050 PolarHBondContact OE1-NH2 3.42Å |
| 957 | A | 85.2 | Confident | 79.7 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -57.6 | 152 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R959 E1028 L1046 | A957-R959 PolarHBondContact O-N 3.15Å; A957-E1028 WeakPolarHBondContact CB-OE1 3.31Å; A957-L1046 HydrophobicContact CB-CD1 3.88Å; A957-L1046 HydrophobicContact CB-CG 4.09Å; A957-L1046 WeakPolarHBondContact O-CD1 3.26Å |
| 958 | P | 87.1 | Confident | 79.5 | Confident | 81 Ų | 81 | 81 Ų | 81 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 132.8 | -174.3 | 24.2 | -35.2 | 0 | 0 | 0 | 112.6 | H960 I961 L1046 | P958-H960 PolarHBondContact O-N 3.33Å; P958-H960 VanDerWaalsContact O-N 3.16Å; P958-I961 HydrophobicContact CG-CD1 4.38Å; P958-I961 HydrophobicContact CG-CG1 3.84Å; P958-L1046 PolarHBondContact O-N 3.08Å |
| 959 | R | 84.9 | Confident | 79.3 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 26% | 0.26 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -55.1 | -34.5 | -179.5 | -69.6 | -177.5 | 179.7 | 152.9 | 4.3 | 113.6 | A957 G1045 L1046 R1047 | A957-R959 PolarHBondContact O-N 3.15Å; R959-G1045 CarbonylContact O-C 3.54Å; R959-G1045 VanDerWaalsContact O-C 3.29Å; R959-G1045 WeakPolarHBondContact O-CA 3.4Å; R959-L1046 PolarHBondContact O-N 3.32Å; R959-R1047 HydrophobicContact CB-CB 4.16Å; R959-R1047 WeakPolarHBondContact O-CB 3.22Å; R959-R1047 PolarHBondContact O-N 3.13Å |
| 960 | H | 84.7 | Confident | 79.5 | Confident | 93 Ų | 93 | 80.5 Ų | 80.5 | 43% | 0.431 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -135 | 137.5 | 175.2 | -62.2 | -67 | 0 | 0 | 0 | 109.6 | P958 R1047 D1048 | P958-H960 PolarHBondContact O-N 3.33Å; P958-H960 VanDerWaalsContact O-N 3.16Å; H960-R1047 PolarHBondContact NE2-NH1 3.29Å; H960-D1048 IonicContact CE1-OD1 3.67Å; H960-D1048 PolarHBondContact CE1-OD1 2.95Å; H960-D1048 IonicContact CG-OD2 3.69Å; H960-D1048 VanDerWaalsContact ND1-CG 3.26Å; H960-D1048 IonicContact ND1-OD1 2.95Å; H960-D1048 PolarHBondContact ND1-OD1 3.35Å; H960-D1048 IonicContact ND1-OD2 3.76Å; H960-D1048 PolarHBondContact ND1-OD2 2.9Å |
| 961 | I | 85.3 | Confident | 79.9 | Confident | 63 Ų | 63 | 79.7 Ų | 79.7 | 32% | 0.323 | 45% | 0.447 | S | S | . | . | trans | -110.7 | 111.1 | 178.1 | -64.7 | 172.7 | 0 | 0 | 0 | 108.6 | P958 G963 A964 | P958-I961 HydrophobicContact CG-CD1 4.38Å; P958-I961 HydrophobicContact CG-CG1 3.84Å; I961-G963 PolarHBondContact O-N 3.32Å; I961-A964 HydrophobicContact CB-CB 4.05Å; I961-A964 HydrophobicContact CG2-CB 4.09Å; I961-A964 PolarHBondContact O-N 3.15Å; I961-A964 VanDerWaalsContact O-N 3.15Å | ||
| 962 | K | 69.4 | Low | 80.3 | Confident | 226 Ų | 226 | 82.6 Ų | 82.6 | 98% | 0.983 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 6.8 | -172.1 | -67.4 | -168.9 | 175.3 | -171.5 | 0 | 116.3 | ||
| 963 | G | 67.4 | Low | 80.6 | Confident | 68 Ų | 68 | 83 Ų | 83 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.4 | 15.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I961 | I961-G963 PolarHBondContact O-N 3.32Š|
| 964 | A | 71.7 | Confident | 81 | Confident | 32 Ų | 32 | 81.9 Ų | 81.9 | 26% | 0.264 | 44% | 0.444 | S | S | . | . | trans | -71.6 | 131.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I961 I966 A1043 | I961-A964 HydrophobicContact CB-CB 4.05Å; I961-A964 HydrophobicContact CG2-CB 4.09Å; I961-A964 PolarHBondContact O-N 3.15Å; I961-A964 VanDerWaalsContact O-N 3.15Å; A964-I966 VanDerWaalsContact C-N 3.31Å; A964-I966 HydrophobicContact CB-CD1 4.45Å; A964-I966 HydrophobicContact CB-CG1 4.1Å; A964-I966 PolarHBondContact O-N 3.14Å; A964-I966 VanDerWaalsContact O-N 3.1Å; A964-A1043 WeakPolarHBondContact CB-O 3.27Å | ||
| 965 | K | 67.4 | Low | 81.7 | Confident | 199 Ų | 199 | 75.7 Ų | 75.7 | 87% | 0.865 | 42% | 0.422 | S | S | * | . | trans | -84.2 | 72.5 | 175.5 | -65.2 | -175.3 | -179.5 | -179.7 | 0 | 110.2 | ||||
| 966 | I | 77.2 | Confident | 82.2 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 32% | 0.318 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 125.6 | 174 | -52.3 | 174.4 | 0 | 0 | 0 | 108 | A964 W970 I1044 D1048 | A964-I966 VanDerWaalsContact C-N 3.31Å; A964-I966 HydrophobicContact CB-CD1 4.45Å; A964-I966 HydrophobicContact CB-CG1 4.1Å; A964-I966 PolarHBondContact O-N 3.14Å; A964-I966 VanDerWaalsContact O-N 3.1Å; I966-W970 HydrophobicContact CG2-CB 4.14Å; I966-W970 HydrophobicContact CG2-CD2 4.46Å; I966-W970 HydrophobicContact CG2-CE3 4.26Å; I966-W970 HydrophobicContact CG2-CG 4.46Å; I966-I1044 HydrophobicContact CD1-CG2 3.98Å; I966-I1044 HydrophobicContact CG1-CG2 4.42Å; I966-D1048 HydrophobicContact CD1-CB 3.99Å |
| 967 | P | 80.1 | Confident | 82.6 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 143.9 | 175.1 | -19.6 | 32.1 | 0 | 0 | 0 | 112.4 | G969 W970 V1039 | P967-G969 PolarHBondContact O-N 3.46Å; P967-W970 HydrophobicContact CB-CB 4.29Å; P967-W970 HydrophobicContact CG-CB 4.47Å; P967-W970 VanDerWaalsContact O-CB 3.22Å; P967-W970 WeakPolarHBondContact O-CB 3.37Å; P967-W970 PolarHBondContact O-N 3.17Å; P967-W970 VanDerWaalsContact O-N 3.08Å; P967-V1039 HydrophobicContact CG-CG2 4.08Å |
| 968 | D | 77.4 | Confident | 83 | Confident | 156 Ų | 156 | 70.5 Ų | 70.5 | 83% | 0.834 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 126.6 | 175.8 | -71.9 | -52.8 | 0 | 0 | 0 | 111.3 | K972 | D968-K972 WeakPolarHBondContact O-CE 3.39Š|
| 969 | G | 77.9 | Confident | 83.4 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 58% | 0.577 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 5.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | P967 P971 | P967-G969 PolarHBondContact O-N 3.46Å; G969-P971 CarbonylContact O-C 3.59Å |
| 970 | W | 86.5 | Confident | 83.8 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 5% | 0.053 | 39% | 0.392 | C | S | . | . | trans | -62.4 | 146.5 | 179.1 | 178.7 | 96.2 | 0 | 0 | 0 | 113.6 | I966 P967 I1036 I1044 L1049 K1052 | I966-W970 HydrophobicContact CG2-CB 4.14Å; I966-W970 HydrophobicContact CG2-CD2 4.46Å; I966-W970 HydrophobicContact CG2-CE3 4.26Å; I966-W970 HydrophobicContact CG2-CG 4.46Å; P967-W970 HydrophobicContact CB-CB 4.29Å; P967-W970 HydrophobicContact CG-CB 4.47Å; P967-W970 VanDerWaalsContact O-CB 3.22Å; P967-W970 WeakPolarHBondContact O-CB 3.37Å; P967-W970 PolarHBondContact O-N 3.17Å; P967-W970 VanDerWaalsContact O-N 3.08Å; W970-I1036 HydrophobicContact CZ2-CB 3.87Å; W970-I1036 HydrophobicContact CZ2-CG2 3.96Å; W970-I1036 PolarHBondContact NE1-O 3.49Å; W970-I1044 HydrophobicContact CH2-CD1 3.31Å; W970-I1044 HydrophobicContact CZ2-CD1 3.37Å; W970-I1044 HydrophobicContact CZ3-CD1 3.93Å; W970-L1049 HydrophobicContact CH2-CD1 3.91Å; W970-K1052 HydrophobicContact CE3-CG 4.47Å; W970-K1052 HydrophobicContact CZ3-CG 4.39Å; W970-K1052 WeakPolarHBondContact O-CE 3.42Å; W970-K1052 PolarHBondContact O-NZ 3.38Å | ||
| 971 | P | 88.8 | Confident | 84.3 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 9% | 0.091 | 37% | 0.372 | C | S | . | . | cis | -73 | 147.4 | -15.1 | 32.9 | -34.4 | 0 | 0 | 0 | 110.9 | G969 I1036 D1037 K1052 | G969-P971 CarbonylContact O-C 3.59Å; P971-I1036 HydrophobicContact CB-CG2 4.12Å; P971-D1037 WeakPolarHBondContact CA-OD2 3.36Å; P971-D1037 WeakPolarHBondContact CB-OD2 3.46Å; P971-K1052 HydrophobicContact CG-CB 4.39Å | ||
| 972 | K | 85.3 | Confident | 84.7 | Confident | 138 Ų | 138 | 68 Ų | 68 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -96.5 | -46.9 | 179.5 | -69.5 | -176.7 | 177.1 | -180 | 0 | 112 | D968 D1037 | D968-K972 WeakPolarHBondContact O-CE 3.39Å; K972-D1037 PolarHBondContact N-OD2 2.91Å |
| 973 | N | 85.2 | Confident | 85.7 | Confident | 108 Ų | 108 | 57.3 Ų | 57.3 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -103 | -39.4 | -172.9 | -60.8 | -2 | 0 | 0 | 0 | 110.2 | A1002 D1037 | N973-A1002 HydrophobicContact CB-CB 3.78Å; N973-A1002 WeakPolarHBondContact O-CB 3.46Å; N973-D1037 PolarHBondContact N-OD2 3.31Å |
| 974 | G | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | 82.4 | 28 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1037 T1163 | G974-D1037 WeakPolarHBondContact CA-OD1 2.96Å; G974-D1037 PolarHBondContact N-OD1 2.97Å; G974-D1037 PolarHBondContact N-OD2 2.98Å; G974-T1163 WeakPolarHBondContact O-CB 3.34Å; G974-T1163 PolarHBondContact O-OG1 3.12Å | ||
| 975 | A | 93.3 | Very high | 87 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | trans | -75.4 | 142.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | A1002 I1036 D1037 | A975-A1002 HydrophobicContact CB-CB 4.49Å; A975-I1036 WeakPolarHBondContact O-CA 3.24Å; A975-D1037 PolarHBondContact N-OD1 3.17Å; A975-D1037 PolarHBondContact O-N 3.5Å | ||
| 976 | I | 95.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.8 | -173.5 | -53 | 168.2 | 0 | 0 | 0 | 109.4 | F978 T999 I1000 L1023 I1034 L1035 I1036 I1133 T1163 L1165 | I976-F978 HydrophobicContact CG2-CD2 4.3Å; I976-F978 HydrophobicContact CG2-CE2 3.79Å; I976-F978 HydrophobicContact CG2-CZ 4.46Å; I976-T999 WeakPolarHBondContact O-CA 3.32Å; I976-I1000 HydrophobicContact CB-CB 4.26Å; I976-I1000 HydrophobicContact CB-CD1 4.31Å; I976-I1000 HydrophobicContact CB-CG1 4.46Å; I976-I1000 HydrophobicContact CD1-CD1 4.33Å; I976-I1000 PolarHBondContact N-O 3.12Å; I976-I1000 PolarHBondContact O-N 3.23Å; I976-L1023 HydrophobicContact CD1-CD1 4.37Å; I976-L1023 HydrophobicContact CG2-CD1 4.2Å; I976-I1034 HydrophobicContact CG2-CG2 4.2Å; I976-L1035 WeakPolarHBondContact CA-O 3.14Å; I976-I1036 HydrophobicContact CG1-CG1 4.38Å; I976-I1036 HydrophobicContact CG2-CG1 4.46Å; I976-I1133 HydrophobicContact CD1-CD1 3.94Å; I976-I1133 HydrophobicContact CD1-CG1 4.2Å; I976-I1133 HydrophobicContact CD1-CG2 3.83Å; I976-I1133 HydrophobicContact CG1-CD1 3.9Å; I976-T1163 HydrophobicContact CD1-CG2 4.44Å; I976-L1165 HydrophobicContact CD1-CD1 3.91Å |
| 977 | T | 95.2 | Very high | 87.5 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.3 | 178.2 | -48.2 | 0 | 0 | 0 | 0 | 110.5 | H979 I1034 L1035 | T977-H979 WeakPolarHBondContact CG2-CE1 3.49Å; T977-H979 WeakPolarHBondContact CG2-NE2 3.5Å; T977-I1034 CarbonylContact O-C 3.53Å; T977-I1034 WeakPolarHBondContact O-CA 3.29Å; T977-L1035 PolarHBondContact N-O 3.49Å; T977-L1035 PolarHBondContact O-N 2.94Å |
| 978 | F | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.5 | 168.6 | -67.7 | -99.8 | 0 | 0 | 0 | 108.5 | I976 Y981 L996 D997 F998 L1019 I1034 | I976-F978 HydrophobicContact CG2-CD2 4.3Å; I976-F978 HydrophobicContact CG2-CE2 3.79Å; I976-F978 HydrophobicContact CG2-CZ 4.46Å; F978-Y981 HydrophobicContact CD1-CD1 4.39Å; F978-Y981 HydrophobicContact CD1-CG 4.21Å; F978-L996 HydrophobicContact CB-CB 4.44Å; F978-D997 WeakPolarHBondContact O-CA 3.45Å; F978-D997 VanDerWaalsContact O-OD1 3.13Å; F978-F998 HydrophobicContact CB-CD1 4.36Å; F978-F998 HydrophobicContact CB-CE1 4.35Å; F978-F998 HydrophobicContact CD2-CD1 4.47Å; F978-F998 HydrophobicContact CD2-CD2 4.17Å; F978-F998 AromaticContact CD2-CE1 3.97Å; F978-F998 HydrophobicContact CD2-CE1 3.97Å; F978-F998 AromaticContact CD2-CE2 3.62Å; F978-F998 HydrophobicContact CD2-CE2 3.62Å; F978-F998 AromaticContact CD2-CZ 3.51Å; F978-F998 HydrophobicContact CD2-CZ 3.51Å; F978-F998 AromaticContact CE2-CE2 3.85Å; F978-F998 HydrophobicContact CE2-CE2 3.85Å; F978-F998 AromaticContact CE2-CZ 3.69Å; F978-F998 HydrophobicContact CE2-CZ 3.69Å; F978-F998 HydrophobicContact CG-CE1 4.13Å; F978-F998 HydrophobicContact CG-CZ 4.1Å; F978-F998 HydrophobicContact CZ-CZ 4.41Å; F978-F998 PolarHBondContact N-O 2.95Å; F978-F998 PolarHBondContact O-N 3.33Å; F978-F998 VanDerWaalsContact O-N 3.15Å; F978-L1019 HydrophobicContact CD1-CD1 4.35Å; F978-L1019 HydrophobicContact CE1-CD1 3.6Å; F978-L1019 HydrophobicContact CE1-CG 4.44Å; F978-L1019 HydrophobicContact CE2-CD1 4.45Å; F978-L1019 HydrophobicContact CZ-CD1 3.66Å; F978-L1019 HydrophobicContact CZ-CG 4.11Å; F978-I1034 HydrophobicContact CD1-CD1 3.82Å; F978-I1034 HydrophobicContact CD1-CG1 3.7Å; F978-I1034 HydrophobicContact CE1-CD1 3.45Å; F978-I1034 VanDerWaalsContact CE1-CD1 3.45Å; F978-I1034 HydrophobicContact CE1-CG1 3.85Å; F978-I1034 HydrophobicContact CG-CG1 4.47Å; F978-I1034 HydrophobicContact CZ-CD1 4.29Å |
| 979 | H | 94.2 | Very high | 87.3 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 111.9 | 177.4 | -76.2 | -40.8 | 0 | 0 | 0 | 111.9 | T977 Y981 D997 G1032 S1033 | T977-H979 WeakPolarHBondContact CG2-CE1 3.49Å; T977-H979 WeakPolarHBondContact CG2-NE2 3.5Å; H979-Y981 PolarHBondContact O-N 3.43Å; H979-D997 WeakPolarHBondContact CA-OD1 3.49Å; H979-D997 IonicContact CG-OD1 3.07Å; H979-D997 IonicContact ND1-OD1 3.89Å; H979-D997 PolarHBondContact ND1-OD1 2.87Å; H979-D997 VanDerWaalsContact ND1-OD1 3.08Å; H979-G1032 CarbonylContact O-C 3.6Å; H979-G1032 WeakPolarHBondContact O-CA 3.32Å; H979-S1033 PolarHBondContact N-O 3.19Å; H979-S1033 PolarHBondContact O-N 3.18Å |
| 980 | E | 93.5 | Very high | 87.5 | Confident | 119 Ų | 119 | 62 Ų | 62 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 45.9 | 27.6 | -176.7 | -93.6 | -148.8 | -155 | 0 | 0 | 114.4 | K982 L996 | E980-K982 VanDerWaalsContact O-CD 3.3Å; E980-K982 WeakPolarHBondContact O-CD 2.96Å; E980-K982 WeakPolarHBondContact O-CE 3.46Å; E980-K982 WeakPolarHBondContact O-CG 3.5Å; E980-K982 PolarHBondContact O-N 3.3Å; E980-K982 IonicContact OE2-NZ 2.69Å; E980-K982 PolarHBondContact OE2-NZ 3.01Å; E980-L996 CarbonylContact C-O 3.59Å; E980-L996 PolarHBondContact N-O 3.44Å; E980-L996 VanDerWaalsContact N-O 3.17Å |
| 981 | Y | 94.7 | Very high | 87.4 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 128.1 | -160.7 | -175.8 | -94.2 | 0 | 0 | 0 | 112.4 | F978 H979 M983 L993 G995 L996 A1022 P1029 I1034 | F978-Y981 HydrophobicContact CD1-CD1 4.39Å; F978-Y981 HydrophobicContact CD1-CG 4.21Å; H979-Y981 PolarHBondContact O-N 3.43Å; Y981-M983 HydrophobicContact CE1-CB 3.79Å; Y981-L993 HydrophobicContact CD1-CD1 4.42Å; Y981-L993 HydrophobicContact CE1-CD1 4.17Å; Y981-G995 WeakPolarHBondContact O-CA 3.36Å; Y981-G995 PolarHBondContact O-N 3Å; Y981-L996 PolarHBondContact N-O 3.16Å; Y981-L996 PolarHBondContact O-N 3.47Å; Y981-L996 VanDerWaalsContact O-N 3.08Å; Y981-A1022 HydrophobicContact CE1-CB 3.53Å; Y981-A1022 WeakPolarHBondContact OH-CB 3.37Å; Y981-P1029 HydrophobicContact CE2-CB 3.81Å; Y981-I1034 HydrophobicContact CD2-CD1 3.84Å; Y981-I1034 HydrophobicContact CD2-CG1 3.51Å; Y981-I1034 HydrophobicContact CE1-CD1 4.33Å; Y981-I1034 HydrophobicContact CE2-CD1 3.54Å; Y981-I1034 HydrophobicContact CE2-CG1 3.66Å; Y981-I1034 HydrophobicContact CG-CD1 4.33Å; Y981-I1034 HydrophobicContact CG-CG1 4.14Å |
| 982 | K | 93.9 | Very high | 87.4 | Confident | 54 Ų | 54 | 65.9 Ų | 65.9 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.9 | -174.7 | -73.8 | 147.4 | -171 | 168.2 | 0 | 110.5 | E980 L993 A1030 G1031 | E980-K982 VanDerWaalsContact O-CD 3.3Å; E980-K982 WeakPolarHBondContact O-CD 2.96Å; E980-K982 WeakPolarHBondContact O-CE 3.46Å; E980-K982 WeakPolarHBondContact O-CG 3.5Å; E980-K982 PolarHBondContact O-N 3.3Å; E980-K982 IonicContact OE2-NZ 2.69Å; E980-K982 PolarHBondContact OE2-NZ 3.01Å; K982-L993 CarbonylContact C-O 3.58Å; K982-L993 VanDerWaalsContact CA-O 3.25Å; K982-L993 WeakPolarHBondContact CA-O 3.48Å; K982-A1030 WeakPolarHBondContact O-CA 3.34Å; K982-A1030 WeakPolarHBondContact O-CB 3.42Å; K982-A1030 PolarHBondContact O-N 2.66Å; K982-G1031 PolarHBondContact N-O 2.94Å; K982-G1031 PolarHBondContact O-N 3.45Å |
| 983 | M | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143 | -176.4 | 178 | -174.8 | 156.6 | 0 | 0 | 112 | Y981 Y985 I991 V992 L993 V1021 A1022 V1027 | Y981-M983 HydrophobicContact CE1-CB 3.79Å; M983-Y985 HydrophobicContact CE-CD1 4.21Å; M983-Y985 HydrophobicContact CE-CD2 4.19Å; M983-Y985 HydrophobicContact CE-CE1 3.75Å; M983-Y985 HydrophobicContact CE-CE2 3.71Å; M983-Y985 HydrophobicContact CE-CG 4.41Å; M983-Y985 VanDerWaalsContact CE-CZ 3.47Å; M983-I991 CarbonylContact O-C 3.57Å; M983-I991 WeakPolarHBondContact O-CA 3.45Å; M983-V992 PolarHBondContact O-N 3.06Å; M983-L993 HydrophobicContact CB-CB 4.06Å; M983-L993 HydrophobicContact CB-CD1 4.29Å; M983-L993 HydrophobicContact CB-CG 4.31Å; M983-L993 PolarHBondContact N-O 3.33Å; M983-L993 PolarHBondContact O-N 3.23Å; M983-L993 HydrophobicContact SD-CD1 3.92Å; M983-L993 HydrophobicContact SD-CG 4.42Å; M983-V1021 HydrophobicContact CE-CB 4.18Å; M983-V1021 HydrophobicContact CE-CG1 3.6Å; M983-A1022 HydrophobicContact SD-CB 3.98Å; M983-V1027 HydrophobicContact CE-CB 4.05Å; M983-V1027 HydrophobicContact CE-CG1 4.33Å; M983-V1027 HydrophobicContact CE-CG2 4.06Å; M983-V1027 HydrophobicContact CG-CG1 4.25Å |
| 984 | R | 87.8 | Confident | 87.9 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | trans | -139.7 | 141.1 | 167.2 | 67.3 | -179.4 | 74.1 | -172.2 | 1.2 | 110 | R986 E987 V1027 A1030 | R984-R986 VanDerWaalsContact C-N 3.33Å; R984-R986 WeakPolarHBondContact CD-O 3.47Å; R984-R986 VanDerWaalsContact CG-O 3.3Å; R984-R986 WeakPolarHBondContact CG-O 3.43Å; R984-R986 PolarHBondContact O-N 3.21Å; R984-E987 PolarHBondContact NH1-O 3.18Å; R984-V1027 WeakPolarHBondContact O-CG1 3.42Å; R984-A1030 HydrophobicContact CG-CB 4.21Å | ||
| 985 | Y | 79.3 | Confident | 87.9 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -71.8 | -25.2 | -179.4 | -77.4 | -86.9 | 0 | 0 | 0 | 113.7 | M983 V992 S1018 V1021 V1027 | M983-Y985 HydrophobicContact CE-CD1 4.21Å; M983-Y985 HydrophobicContact CE-CD2 4.19Å; M983-Y985 HydrophobicContact CE-CE1 3.75Å; M983-Y985 HydrophobicContact CE-CE2 3.71Å; M983-Y985 HydrophobicContact CE-CG 4.41Å; M983-Y985 VanDerWaalsContact CE-CZ 3.47Å; Y985-V992 HydrophobicContact CD2-CB 4.46Å; Y985-V992 HydrophobicContact CD2-CG2 4.1Å; Y985-V992 HydrophobicContact CE2-CB 4.44Å; Y985-V992 HydrophobicContact CE2-CG1 4.16Å; Y985-V992 HydrophobicContact CE2-CG2 4.46Å; Y985-S1018 WeakPolarHBondContact OH-CB 3.46Å; Y985-S1018 PolarHBondContact OH-OG 3.1Å; Y985-V1021 HydrophobicContact CE1-CG1 4.11Å; Y985-V1027 HydrophobicContact CD1-CG2 4.19Å; Y985-V1027 HydrophobicContact CE1-CG2 4.42Å |
| 986 | R | 77.9 | Confident | 87.9 | Confident | 117 Ų | 117 | 58.2 Ų | 58.2 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -142.8 | 151.4 | 178.4 | -51.6 | 177.8 | -176.5 | 166.4 | 0.7 | 109.4 | D746 T747 R984 N988 T989 | D746-R986 PolarHBondContact O-NH2 3.03Å; D746-R986 VanDerWaalsContact O-NH2 3.08Å; T747-R986 VanDerWaalsContact CG2-CZ 3.48Å; R984-R986 VanDerWaalsContact C-N 3.33Å; R984-R986 WeakPolarHBondContact CD-O 3.47Å; R984-R986 VanDerWaalsContact CG-O 3.3Å; R984-R986 WeakPolarHBondContact CG-O 3.43Å; R984-R986 PolarHBondContact O-N 3.21Å; R986-N988 PolarHBondContact O-N 2.95Å; R986-T989 HydrophobicContact CB-CG2 3.94Å; R986-T989 HydrophobicContact CG-CG2 4.25Å; R986-T989 PolarHBondContact N-OG1 3.19Å; R986-T989 PolarHBondContact O-N 2.9Å; R986-T989 VanDerWaalsContact O-N 3.15Å; R986-T989 PolarHBondContact O-OG1 3.04Å |
| 987 | E | 75.4 | Confident | 87.7 | Confident | 145 Ų | 145 | 63.2 Ų | 63.2 | 68% | 0.678 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -42.1 | 179.5 | -66.7 | 165.7 | -155.4 | 0 | 0 | 111.8 | K954 R984 | K954-E987 IonicContact NZ-OE1 3.19Å; R984-E987 PolarHBondContact NH1-O 3.18Å |
| 988 | N | 76.9 | Confident | 87.7 | Confident | 163 Ų | 163 | 63.1 Ų | 63.1 | 87% | 0.872 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.9 | -177.3 | -62.4 | -3.8 | 0 | 0 | 0 | 115.4 | R986 | R986-N988 PolarHBondContact O-N 2.95Š|
| 989 | T | 76.5 | Confident | 87.6 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -95.4 | 157.2 | 175.5 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | R986 | R986-T989 HydrophobicContact CB-CG2 3.94Å; R986-T989 HydrophobicContact CG-CG2 4.25Å; R986-T989 PolarHBondContact N-OG1 3.19Å; R986-T989 PolarHBondContact O-N 2.9Å; R986-T989 VanDerWaalsContact O-N 3.15Å; R986-T989 PolarHBondContact O-OG1 3.04Å |
| 990 | P | 82.5 | Confident | 87.6 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 161 | 169.7 | 24.7 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 991 | I | 85.8 | Confident | 87.6 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 33% | 0.328 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 132 | 171.4 | -63.6 | 177.3 | 0 | 0 | 0 | 107.9 | M983 L993 N994 | M983-I991 CarbonylContact O-C 3.57Å; M983-I991 WeakPolarHBondContact O-CA 3.45Å; I991-L993 WeakPolarHBondContact CG2-O 3.41Å; I991-N994 HydrophobicContact CG2-CB 3.81Å |
| 992 | V | 87.4 | Confident | 87.5 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 28% | 0.279 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -107.1 | -27.7 | -175.4 | 177.7 | 0 | 0 | 0 | 0 | 112.5 | M983 Y985 G1186 | M983-V992 PolarHBondContact O-N 3.06Å; Y985-V992 HydrophobicContact CD2-CB 4.46Å; Y985-V992 HydrophobicContact CD2-CG2 4.1Å; Y985-V992 HydrophobicContact CE2-CB 4.44Å; Y985-V992 HydrophobicContact CE2-CG1 4.16Å; Y985-V992 HydrophobicContact CE2-CG2 4.46Å; V992-G1186 WeakPolarHBondContact O-CA 3.42Å |
| 993 | L | 90.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.5 | 163.3 | -57.1 | 178.3 | 0 | 0 | 0 | 106.8 | Y981 K982 M983 I991 L996 L1019 A1022 M1183 G1186 | Y981-L993 HydrophobicContact CD1-CD1 4.42Å; Y981-L993 HydrophobicContact CE1-CD1 4.17Å; K982-L993 CarbonylContact C-O 3.58Å; K982-L993 VanDerWaalsContact CA-O 3.25Å; K982-L993 WeakPolarHBondContact CA-O 3.48Å; M983-L993 HydrophobicContact CB-CB 4.06Å; M983-L993 HydrophobicContact CB-CD1 4.29Å; M983-L993 HydrophobicContact CB-CG 4.31Å; M983-L993 PolarHBondContact N-O 3.33Å; M983-L993 PolarHBondContact O-N 3.23Å; M983-L993 HydrophobicContact SD-CD1 3.92Å; M983-L993 HydrophobicContact SD-CG 4.42Å; I991-L993 WeakPolarHBondContact CG2-O 3.41Å; L993-L996 HydrophobicContact CB-CD1 4.03Å; L993-L996 HydrophobicContact CB-CG 4.44Å; L993-L996 HydrophobicContact CD1-CD1 4.05Å; L993-L996 HydrophobicContact CD2-CD1 4.23Å; L993-L996 HydrophobicContact CG-CD1 4.34Å; L993-L1019 HydrophobicContact CD1-CD1 4.42Å; L993-A1022 HydrophobicContact CD1-CB 4.22Å; L993-M1183 HydrophobicContact CD2-CE 3.64Å; L993-G1186 CarbonylContact C-O 3.6Å; L993-G1186 WeakPolarHBondContact CA-O 3.29Å |
| 994 | N | 90.6 | Very high | 87.3 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 76.4 | -160 | -171.2 | 18.6 | 0 | 0 | 0 | 113.5 | I991 G1186 | I991-N994 HydrophobicContact CG2-CB 3.81Å; N994-G1186 PolarHBondContact N-O 3.1Å |
| 995 | G | 89.2 | Confident | 87.5 | Confident | 34 Ų | 34 | 63 Ų | 63 | 35% | 0.351 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.1 | 49 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y981 D997 | Y981-G995 WeakPolarHBondContact O-CA 3.36Å; Y981-G995 PolarHBondContact O-N 3Å; G995-D997 PolarHBondContact O-N 2.97Å |
| 996 | L | 92.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.9 | 172.9 | -59.4 | 177.7 | 0 | 0 | 0 | 109.9 | F978 E980 Y981 L993 F998 L1019 A1188 | F978-L996 HydrophobicContact CB-CB 4.44Å; E980-L996 CarbonylContact C-O 3.59Å; E980-L996 PolarHBondContact N-O 3.44Å; E980-L996 VanDerWaalsContact N-O 3.17Å; Y981-L996 PolarHBondContact N-O 3.16Å; Y981-L996 PolarHBondContact O-N 3.47Å; Y981-L996 VanDerWaalsContact O-N 3.08Å; L993-L996 HydrophobicContact CB-CD1 4.03Å; L993-L996 HydrophobicContact CB-CG 4.44Å; L993-L996 HydrophobicContact CD1-CD1 4.05Å; L993-L996 HydrophobicContact CD2-CD1 4.23Å; L993-L996 HydrophobicContact CG-CD1 4.34Å; L996-F998 HydrophobicContact CB-CD1 4.32Å; L996-F998 HydrophobicContact CB-CE1 4.03Å; L996-F998 HydrophobicContact CD1-CE1 4.37Å; L996-F998 HydrophobicContact CD2-CE1 4.48Å; L996-L1019 HydrophobicContact CD1-CD1 3.58Å; L996-A1188 HydrophobicContact CD2-CB 4.25Å; L996-A1188 VanDerWaalsContact CD2-N 3.29Å |
| 997 | D | 93 | Very high | 88.9 | Confident | 105 Ų | 105 | 54 Ų | 54 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 102.8 | 177.2 | -166.6 | 38.8 | 0 | 0 | 0 | 108.1 | F978 H979 G995 | F978-D997 WeakPolarHBondContact O-CA 3.45Å; F978-D997 VanDerWaalsContact O-OD1 3.13Å; H979-D997 WeakPolarHBondContact CA-OD1 3.49Å; H979-D997 IonicContact CG-OD1 3.07Å; H979-D997 IonicContact ND1-OD1 3.89Å; H979-D997 PolarHBondContact ND1-OD1 2.87Å; H979-D997 VanDerWaalsContact ND1-OD1 3.08Å; G995-D997 PolarHBondContact O-N 2.97Å |
| 998 | F | 94.1 | Very high | 89.7 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 160.5 | -179.5 | 66 | -91.8 | 0 | 0 | 0 | 112.4 | F978 L996 I1000 L1006 L1019 L1181 A1188 L1191 | F978-F998 HydrophobicContact CB-CD1 4.36Å; F978-F998 HydrophobicContact CB-CE1 4.35Å; F978-F998 HydrophobicContact CD2-CD1 4.47Å; F978-F998 HydrophobicContact CD2-CD2 4.17Å; F978-F998 AromaticContact CD2-CE1 3.97Å; F978-F998 HydrophobicContact CD2-CE1 3.97Å; F978-F998 AromaticContact CD2-CE2 3.62Å; F978-F998 HydrophobicContact CD2-CE2 3.62Å; F978-F998 AromaticContact CD2-CZ 3.51Å; F978-F998 HydrophobicContact CD2-CZ 3.51Å; F978-F998 AromaticContact CE2-CE2 3.85Å; F978-F998 HydrophobicContact CE2-CE2 3.85Å; F978-F998 AromaticContact CE2-CZ 3.69Å; F978-F998 HydrophobicContact CE2-CZ 3.69Å; F978-F998 HydrophobicContact CG-CE1 4.13Å; F978-F998 HydrophobicContact CG-CZ 4.1Å; F978-F998 HydrophobicContact CZ-CZ 4.41Å; F978-F998 PolarHBondContact N-O 2.95Å; F978-F998 PolarHBondContact O-N 3.33Å; F978-F998 VanDerWaalsContact O-N 3.15Å; L996-F998 HydrophobicContact CB-CD1 4.32Å; L996-F998 HydrophobicContact CB-CE1 4.03Å; L996-F998 HydrophobicContact CD1-CE1 4.37Å; L996-F998 HydrophobicContact CD2-CE1 4.48Å; F998-I1000 HydrophobicContact CD2-CG1 4.24Å; F998-I1000 HydrophobicContact CE2-CD1 4.14Å; F998-I1000 HydrophobicContact CE2-CG1 4Å; F998-L1006 HydrophobicContact CE2-CD2 4.43Å; F998-L1019 HydrophobicContact CZ-CD1 4.35Å; F998-L1019 HydrophobicContact CZ-CD2 4.36Å; F998-L1181 HydrophobicContact CE1-CD2 4.11Å; F998-L1181 HydrophobicContact CE2-CD2 4.09Å; F998-L1181 HydrophobicContact CZ-CD2 3.63Å; F998-A1188 HydrophobicContact CD1-CB 4.42Å; F998-L1191 HydrophobicContact CB-CD2 3.67Å; F998-L1191 HydrophobicContact CD2-CD2 4.16Å; F998-L1191 HydrophobicContact CG-CD2 4.1Å |
| 999 | T | 93.9 | Very high | 90.2 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138 | -179.8 | -48 | 0 | 0 | 0 | 0 | 111.8 | I976 R1179 | I976-T999 WeakPolarHBondContact O-CA 3.32Å; T999-R1179 PolarHBondContact O-NH1 2.82Å |
| 1000 | I | 94.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126 | 169 | -46.3 | 178.6 | 0 | 0 | 0 | 107.6 | I976 F998 E1004 L1006 T1163 L1165 | I976-I1000 HydrophobicContact CB-CB 4.26Å; I976-I1000 HydrophobicContact CB-CD1 4.31Å; I976-I1000 HydrophobicContact CB-CG1 4.46Å; I976-I1000 HydrophobicContact CD1-CD1 4.33Å; I976-I1000 PolarHBondContact N-O 3.12Å; I976-I1000 PolarHBondContact O-N 3.23Å; F998-I1000 HydrophobicContact CD2-CG1 4.24Å; F998-I1000 HydrophobicContact CE2-CD1 4.14Å; F998-I1000 HydrophobicContact CE2-CG1 4Å; I1000-E1004 HydrophobicContact CG2-CB 3.97Å; I1000-E1004 HydrophobicContact CG2-CG 4.29Å; I1000-L1006 HydrophobicContact CD1-CD2 3.63Å; I1000-L1006 HydrophobicContact CG1-CD2 4.01Å; I1000-T1163 HydrophobicContact CG2-CG2 3.69Å; I1000-L1165 HydrophobicContact CD1-CD1 4.13Å; I1000-L1165 HydrophobicContact CD1-CD2 3.87Å; I1000-L1165 HydrophobicContact CD1-CG 4.04Å |
| 1001 | Q | 92.9 | Very high | 90 | Very high | 116 Ų | 116 | 40.9 Ų | 40.9 | 54% | 0.542 | 23% | 0.225 | S | C | . | . | trans | -74.6 | 162 | 179.8 | -56.2 | -61.1 | -22.7 | 0 | 0 | 112 | G1003 E1004 | Q1001-G1003 PolarHBondContact O-N 3.36Å; Q1001-E1004 HydrophobicContact CB-CB 4.15Å; Q1001-E1004 WeakPolarHBondContact CB-OE2 3.26Å; Q1001-E1004 WeakPolarHBondContact CG-OE2 3.49Å; Q1001-E1004 PolarHBondContact N-OE2 3.27Å; Q1001-E1004 WeakPolarHBondContact O-CB 3.47Å; Q1001-E1004 PolarHBondContact O-N 3.09Å | ||
| 1002 | A | 91.9 | Very high | 89.3 | Confident | 52 Ų | 52 | 42.1 Ų | 42.1 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 123.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N973 A975 E1004 | N973-A1002 HydrophobicContact CB-CB 3.78Å; N973-A1002 WeakPolarHBondContact O-CB 3.46Å; A975-A1002 HydrophobicContact CB-CB 4.49Å; A1002-E1004 VanDerWaalsContact C-N 3.29Å |
| 1003 | G | 89.4 | Confident | 88.5 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 0.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1001 T1163 | Q1001-G1003 PolarHBondContact O-N 3.36Å; G1003-T1163 PolarHBondContact N-OG1 3.02Å |
| 1004 | E | 92.3 | Very high | 88 | Confident | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.065 | 26% | 0.263 | C | S | . | . | trans | -70.3 | 137.5 | 179 | -172.6 | -176.4 | 151.8 | 0 | 0 | 111.7 | I1000 Q1001 A1002 M1164 D1178 R1179 | I1000-E1004 HydrophobicContact CG2-CB 3.97Å; I1000-E1004 HydrophobicContact CG2-CG 4.29Å; Q1001-E1004 HydrophobicContact CB-CB 4.15Å; Q1001-E1004 WeakPolarHBondContact CB-OE2 3.26Å; Q1001-E1004 WeakPolarHBondContact CG-OE2 3.49Å; Q1001-E1004 PolarHBondContact N-OE2 3.27Å; Q1001-E1004 WeakPolarHBondContact O-CB 3.47Å; Q1001-E1004 PolarHBondContact O-N 3.09Å; A1002-E1004 VanDerWaalsContact C-N 3.29Å; E1004-M1164 PolarHBondContact O-N 3Å; E1004-D1178 HydrophobicContact CG-CB 4.4Å; E1004-R1179 WeakPolarHBondContact OE1-CD 3.23Å; E1004-R1179 IonicContact OE1-CZ 3.75Å; E1004-R1179 IonicContact OE1-NE 3.54Å; E1004-R1179 IonicContact OE1-NH1 3.6Å; E1004-R1179 PolarHBondContact OE1-NH1 3.05Å; E1004-R1179 IonicContact OE2-NH1 2.79Å; E1004-R1179 PolarHBondContact OE2-NH1 2.71Å | ||
| 1005 | K | 92.3 | Very high | 87.6 | Confident | 74 Ų | 74 | 40.8 Ų | 40.8 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 103.2 | 170.4 | -59.8 | 163.3 | -169.3 | 156.5 | 0 | 108.9 | M1164 A1177 D1178 | K1005-M1164 CarbonylContact C-O 3.32Å; K1005-M1164 WeakPolarHBondContact CA-O 3.13Å; K1005-M1164 HydrophobicContact CG-CB 4.17Å; K1005-A1177 WeakPolarHBondContact O-CB 3.47Å; K1005-D1178 WeakPolarHBondContact CB-OD2 3.45Å; K1005-D1178 PolarHBondContact N-OD2 2.84Å; K1005-D1178 PolarHBondContact O-N 3.45Å |
| 1006 | L | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.5 | 178.5 | -173.6 | 73.8 | 0 | 0 | 0 | 111 | F998 I1000 I1008 M1164 T1166 R1179 L1181 L1191 | F998-L1006 HydrophobicContact CE2-CD2 4.43Å; I1000-L1006 HydrophobicContact CD1-CD2 3.63Å; I1000-L1006 HydrophobicContact CG1-CD2 4.01Å; L1006-I1008 HydrophobicContact CD2-CG1 4.19Å; L1006-I1008 HydrophobicContact CG-CG1 4.32Å; L1006-M1164 PolarHBondContact N-O 3.24Å; L1006-T1166 PolarHBondContact O-N 2.94Å; L1006-R1179 WeakPolarHBondContact CA-O 3.19Å; L1006-R1179 HydrophobicContact CD1-CB 4.1Å; L1006-L1181 HydrophobicContact CD1-CB 4.11Å; L1006-L1181 HydrophobicContact CD2-CB 4.12Å; L1006-L1181 HydrophobicContact CD2-CD2 4.26Å; L1006-L1181 HydrophobicContact CG-CB 4.24Å; L1006-L1191 HydrophobicContact CD1-CD1 3.64Å |
| 1007 | G | 92.2 | Very high | 87 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 138.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1179 I1180 L1181 | G1007-R1179 PolarHBondContact N-O 3.23Å; G1007-I1180 CarbonylContact O-C 3.58Å; G1007-I1180 WeakPolarHBondContact O-CA 3.48Å; G1007-L1181 PolarHBondContact O-N 3.5Å |
| 1008 | I | 91.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 113.8 | -178.6 | -57.7 | 162 | 0 | 0 | 0 | 109.4 | L1006 K1016 L1019 L1165 T1166 I1167 A1168 L1181 M1183 | L1006-I1008 HydrophobicContact CD2-CG1 4.19Å; L1006-I1008 HydrophobicContact CG-CG1 4.32Å; I1008-K1016 HydrophobicContact CG2-CB 4.39Å; I1008-K1016 HydrophobicContact CG2-CG 4.37Å; I1008-L1019 HydrophobicContact CD1-CD2 3.97Å; I1008-L1165 HydrophobicContact CD1-CB 4Å; I1008-L1165 HydrophobicContact CD1-CD2 4.26Å; I1008-L1165 HydrophobicContact CD1-CG 4.4Å; I1008-T1166 PolarHBondContact N-O 3.49Å; I1008-I1167 HydrophobicContact CB-CG1 4.04Å; I1008-I1167 HydrophobicContact CD1-CG1 3.9Å; I1008-I1167 HydrophobicContact CG2-CG1 4.22Å; I1008-A1168 PolarHBondContact O-N 3.05Å; I1008-L1181 HydrophobicContact CG1-CB 4.42Å; I1008-L1181 HydrophobicContact CG1-CD2 4.46Å; I1008-M1183 HydrophobicContact CG2-CG 4.33Å; I1008-M1183 HydrophobicContact CG2-SD 4.03Å |
| 1009 | V | 87.6 | Confident | 86.6 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 167.2 | -173.4 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | V1174 I1180 L1181 V1182 M1183 F1205 | V1009-V1174 HydrophobicContact CG1-CG2 3.64Å; V1009-I1180 HydrophobicContact CG1-CG2 4.21Å; V1009-I1180 HydrophobicContact CG2-CG2 3.55Å; V1009-L1181 PolarHBondContact N-O 2.97Å; V1009-V1182 HydrophobicContact CG2-CB 4.24Å; V1009-V1182 HydrophobicContact CG2-CG1 4.38Å; V1009-V1182 HydrophobicContact CG2-CG2 3.76Å; V1009-M1183 PolarHBondContact O-N 3.38Å; V1009-F1205 HydrophobicContact CG2-CD2 4.07Å |
| 1010 | G | 82.6 | Confident | 86.5 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | trans | 141.3 | 166 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1016 M1183 | G1010-K1016 PolarHBondContact O-NZ 2.94Å; G1010-M1183 WeakPolarHBondContact CA-O 3.26Å | ||
| 1011 | R | 73.3 | Confident | 86.3 | Confident | 162 Ų | 162 | 35 Ų | 35 | 61% | 0.611 | 21% | 0.213 | S | C | * | . | trans | -65.6 | 160.2 | -174.8 | -69.6 | 179.9 | 174.2 | 171.3 | -0.1 | 112.8 | G1013 S1014 L1208 | R1011-G1013 PolarHBondContact O-N 3.4Å; R1011-G1013 VanDerWaalsContact O-N 3.13Å; R1011-S1014 WeakPolarHBondContact O-CB 3.36Å; R1011-S1014 PolarHBondContact O-N 3.01Å; R1011-S1014 PolarHBondContact O-OG 3.22Å; R1011-L1208 HydrophobicContact CG-CD2 4.44Å | ||
| 1012 | T | 71.6 | Confident | 86.3 | Confident | 91 Ų | 91 | 29.5 Ų | 29.5 | 56% | 0.558 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 116.3 | 173.8 | -49.6 | 0 | 0 | 0 | 0 | 109.2 | D468 H1169 | D468-T1012 PolarHBondContact OD1-OG1 3.34Å; T1012-H1169 PolarHBondContact OG1-CE1 3.22Å |
| 1013 | G | 68.9 | Low | 86.3 | Confident | 76 Ų | 76 | 27.1 Ų | 27.1 | 78% | 0.784 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.2 | -7.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | R1011 G1015 | R1011-G1013 PolarHBondContact O-N 3.4Å; R1011-G1013 VanDerWaalsContact O-N 3.13Å; G1013-G1015 PolarHBondContact O-N 3.14Å |
| 1014 | S | 80.8 | Confident | 86.5 | Confident | 8 Ų | 8 | 25.8 Ų | 25.8 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -71 | -1.6 | -173 | 74.6 | 0 | 0 | 0 | 0 | 116.7 | R1011 M1183 G1186 | R1011-S1014 WeakPolarHBondContact O-CB 3.36Å; R1011-S1014 PolarHBondContact O-N 3.01Å; R1011-S1014 PolarHBondContact O-OG 3.22Å; S1014-M1183 WeakPolarHBondContact CB-O 3.36Å; S1014-M1183 PolarHBondContact OG-O 3.08Å; S1014-G1186 PolarHBondContact O-N 3.42Å |
| 1015 | G | 81.5 | Confident | 86.6 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 118.2 | -14.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1013 S1017 S1018 L1019 | G1013-G1015 PolarHBondContact O-N 3.14Å; G1015-S1017 PolarHBondContact O-N 3.15Å; G1015-S1018 VanDerWaalsContact O-CA 3.32Å; G1015-S1018 WeakPolarHBondContact O-CA 3.34Å; G1015-S1018 WeakPolarHBondContact O-CB 3.24Å; G1015-S1018 PolarHBondContact O-N 3.03Å; G1015-L1019 PolarHBondContact O-N 3.42Å |
| 1016 | K | 86.1 | Confident | 86.5 | Confident | 9 Ų | 9 | 22.9 Ų | 22.9 | 4% | 0.039 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -37.3 | -68.4 | -173.7 | -52.5 | -161.1 | -59 | -80.3 | 0 | 114.7 | I1008 G1010 S1018 L1019 I1167 H1169 | I1008-K1016 HydrophobicContact CG2-CB 4.39Å; I1008-K1016 HydrophobicContact CG2-CG 4.37Å; G1010-K1016 PolarHBondContact O-NZ 2.94Å; K1016-S1018 PolarHBondContact O-N 3.43Å; K1016-S1018 VanDerWaalsContact O-N 3.17Å; K1016-L1019 WeakPolarHBondContact O-CB 3.41Å; K1016-L1019 PolarHBondContact O-N 3.34Å; K1016-I1167 HydrophobicContact CB-CG2 3.89Å; K1016-I1167 HydrophobicContact CD-CG2 4.15Å; K1016-H1169 PolarHBondContact NZ-CE1 2.94Å; K1016-H1169 VanDerWaalsContact NZ-CE1 3.29Å; K1016-H1169 PolarHBondContact NZ-NE2 2.95Å |
| 1017 | S | 83.8 | Confident | 86.4 | Confident | 49 Ų | 49 | 23.8 Ų | 23.8 | 34% | 0.343 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -68.7 | -15 | -178.1 | -39.5 | 0 | 0 | 0 | 0 | 113.9 | G1015 L1019 V1021 | G1015-S1017 PolarHBondContact O-N 3.15Å; S1017-L1019 VanDerWaalsContact C-N 3.34Å; S1017-V1021 WeakPolarHBondContact O-CG2 3.26Å; S1017-V1021 PolarHBondContact O-N 2.93Å |
| 1018 | S | 88.4 | Confident | 86.3 | Confident | 13 Ų | 13 | 27.5 Ų | 27.5 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.4 | -28.2 | 170.7 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | Y985 G1015 K1016 G1020 V1021 A1022 | Y985-S1018 WeakPolarHBondContact OH-CB 3.46Å; Y985-S1018 PolarHBondContact OH-OG 3.1Å; G1015-S1018 VanDerWaalsContact O-CA 3.32Å; G1015-S1018 WeakPolarHBondContact O-CA 3.34Å; G1015-S1018 WeakPolarHBondContact O-CB 3.24Å; G1015-S1018 PolarHBondContact O-N 3.03Å; K1016-S1018 PolarHBondContact O-N 3.43Å; K1016-S1018 VanDerWaalsContact O-N 3.17Å; S1018-G1020 VanDerWaalsContact C-N 3.33Å; S1018-V1021 WeakPolarHBondContact O-CB 3.27Å; S1018-V1021 PolarHBondContact O-N 3.26Å; S1018-A1022 WeakPolarHBondContact O-CB 3.39Å; S1018-A1022 PolarHBondContact O-N 2.93Å |
| 1019 | L | 90.6 | Very high | 86.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 173.5 | -165.1 | 73 | 0 | 0 | 0 | 111 | F978 L993 L996 F998 I1008 G1015 K1016 S1017 A1022 L1023 L1181 M1183 | F978-L1019 HydrophobicContact CD1-CD1 4.35Å; F978-L1019 HydrophobicContact CE1-CD1 3.6Å; F978-L1019 HydrophobicContact CE1-CG 4.44Å; F978-L1019 HydrophobicContact CE2-CD1 4.45Å; F978-L1019 HydrophobicContact CZ-CD1 3.66Å; F978-L1019 HydrophobicContact CZ-CG 4.11Å; L993-L1019 HydrophobicContact CD1-CD1 4.42Å; L996-L1019 HydrophobicContact CD1-CD1 3.58Å; F998-L1019 HydrophobicContact CZ-CD1 4.35Å; F998-L1019 HydrophobicContact CZ-CD2 4.36Å; I1008-L1019 HydrophobicContact CD1-CD2 3.97Å; G1015-L1019 PolarHBondContact O-N 3.42Å; K1016-L1019 WeakPolarHBondContact O-CB 3.41Å; K1016-L1019 PolarHBondContact O-N 3.34Å; S1017-L1019 VanDerWaalsContact C-N 3.34Å; L1019-A1022 WeakPolarHBondContact O-CB 3.46Å; L1019-A1022 PolarHBondContact O-N 3.41Å; L1019-L1023 WeakPolarHBondContact O-CB 3.49Å; L1019-L1023 PolarHBondContact O-N 3.35Å; L1019-L1181 HydrophobicContact CD2-CD2 4.13Å; L1019-M1183 HydrophobicContact CD2-SD 4.47Å |
| 1020 | G | 90.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -37.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1018 A1022 F1024 | S1018-G1020 VanDerWaalsContact C-N 3.33Å; G1020-A1022 VanDerWaalsContact C-N 3.32Å; G1020-F1024 WeakPolarHBondContact O-CD2 3.29Å; G1020-F1024 PolarHBondContact O-N 3.05Å; G1020-F1024 VanDerWaalsContact O-N 3.15Å |
| 1021 | V | 90.6 | Very high | 86.7 | Confident | 14 Ų | 14 | 33 Ų | 33 | 9% | 0.085 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -36.1 | 174.2 | 171 | 0 | 0 | 0 | 0 | 111.6 | M983 Y985 S1017 S1018 R1025 L1026 V1027 | M983-V1021 HydrophobicContact CE-CB 4.18Å; M983-V1021 HydrophobicContact CE-CG1 3.6Å; Y985-V1021 HydrophobicContact CE1-CG1 4.11Å; S1017-V1021 WeakPolarHBondContact O-CG2 3.26Å; S1017-V1021 PolarHBondContact O-N 2.93Å; S1018-V1021 WeakPolarHBondContact O-CB 3.27Å; S1018-V1021 PolarHBondContact O-N 3.26Å; V1021-R1025 PolarHBondContact O-N 2.85Å; V1021-L1026 HydrophobicContact CG1-CB 3.9Å; V1021-L1026 HydrophobicContact CG1-CD1 4.47Å; V1021-L1026 HydrophobicContact CG2-CD1 4.36Å; V1021-L1026 PolarHBondContact O-N 2.98Å; V1021-V1027 HydrophobicContact CG1-CB 4.37Å; V1021-V1027 HydrophobicContact CG1-CG2 3.8Å |
| 1022 | A | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.7 | -49.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y981 M983 L993 S1018 L1019 G1020 F1024 R1025 I1034 | Y981-A1022 HydrophobicContact CE1-CB 3.53Å; Y981-A1022 WeakPolarHBondContact OH-CB 3.37Å; M983-A1022 HydrophobicContact SD-CB 3.98Å; L993-A1022 HydrophobicContact CD1-CB 4.22Å; S1018-A1022 WeakPolarHBondContact O-CB 3.39Å; S1018-A1022 PolarHBondContact O-N 2.93Å; L1019-A1022 WeakPolarHBondContact O-CB 3.46Å; L1019-A1022 PolarHBondContact O-N 3.41Å; G1020-A1022 VanDerWaalsContact C-N 3.32Å; A1022-F1024 PolarHBondContact O-N 3.21Å; A1022-R1025 WeakPolarHBondContact O-CA 3.11Å; A1022-R1025 PolarHBondContact O-N 2.92Å; A1022-I1034 HydrophobicContact CB-CD1 4.27Å |
| 1023 | L | 93.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | -178.4 | -177.3 | 64.6 | 0 | 0 | 0 | 112.5 | I976 L1019 R1025 I1036 L1053 I1133 L1165 | I976-L1023 HydrophobicContact CD1-CD1 4.37Å; I976-L1023 HydrophobicContact CG2-CD1 4.2Å; L1019-L1023 WeakPolarHBondContact O-CB 3.49Å; L1019-L1023 PolarHBondContact O-N 3.35Å; L1023-R1025 PolarHBondContact O-N 2.88Å; L1023-I1036 HydrophobicContact CD1-CD1 4.04Å; L1023-L1053 HydrophobicContact CG-CD1 4.39Å; L1023-I1133 HydrophobicContact CD2-CG2 4.43Å; L1023-L1165 HydrophobicContact CD2-CD2 4.16Å |
| 1024 | F | 93.8 | Very high | 90 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 2.9 | 173.5 | -79.4 | -98 | 0 | 0 | 0 | 113.4 | M189 G1020 A1022 L1026 R1050 L1053 I1055 L1135 | M189-F1024 HydrophobicContact CB-CD1 3.79Å; M189-F1024 HydrophobicContact CB-CE1 4.02Å; M189-F1024 HydrophobicContact CB-CG 4.37Å; M189-F1024 HydrophobicContact CE-CB 4.24Å; M189-F1024 HydrophobicContact CE-CD2 3.97Å; M189-F1024 HydrophobicContact CE-CG 4.11Å; M189-F1024 HydrophobicContact CG-CB 4.11Å; M189-F1024 HydrophobicContact CG-CD1 3.85Å; M189-F1024 HydrophobicContact CG-CE1 4.43Å; M189-F1024 HydrophobicContact CG-CG 3.92Å; M189-F1024 WeakPolarHBondContact O-CE1 3.3Å; G1020-F1024 WeakPolarHBondContact O-CD2 3.29Å; G1020-F1024 PolarHBondContact O-N 3.05Å; G1020-F1024 VanDerWaalsContact O-N 3.15Å; A1022-F1024 PolarHBondContact O-N 3.21Å; F1024-L1026 VanDerWaalsContact C-N 3.27Å; F1024-L1026 HydrophobicContact CB-CG 4.24Å; F1024-L1026 PolarHBondContact O-N 2.84Å; F1024-R1050 HydrophobicContact CD1-CG 4.24Å; F1024-R1050 PolarHBondContact O-NE 2.88Å; F1024-R1050 PolarHBondContact O-NH2 2.77Å; F1024-L1053 HydrophobicContact CD1-CB 4.4Å; F1024-L1053 HydrophobicContact CD1-CD1 4.11Å; F1024-L1053 HydrophobicContact CD2-CD1 4.35Å; F1024-L1053 HydrophobicContact CE1-CB 3.6Å; F1024-L1053 HydrophobicContact CE1-CD1 4.1Å; F1024-L1053 HydrophobicContact CE2-CB 4.41Å; F1024-L1053 HydrophobicContact CE2-CD1 4.34Å; F1024-L1053 HydrophobicContact CG-CD1 4.24Å; F1024-L1053 HydrophobicContact CZ-CB 3.6Å; F1024-L1053 HydrophobicContact CZ-CD1 4.21Å; F1024-I1055 HydrophobicContact CE2-CB 4.23Å; F1024-I1055 HydrophobicContact CZ-CB 3.84Å; F1024-I1055 HydrophobicContact CZ-CG2 4.21Å; F1024-L1135 HydrophobicContact CD2-CD2 4.34Å; F1024-L1135 HydrophobicContact CE2-CB 4.21Å; F1024-L1135 HydrophobicContact CE2-CD2 3.94Å |
| 1025 | R | 93.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 46.1 | -178 | -164.7 | 179.8 | 165.8 | -168.8 | 3.2 | 112.4 | V1021 A1022 L1023 V1027 E1028 I1041 A1042 I1044 L1046 L1049 R1050 | V1021-R1025 PolarHBondContact O-N 2.85Å; A1022-R1025 WeakPolarHBondContact O-CA 3.11Å; A1022-R1025 PolarHBondContact O-N 2.92Å; L1023-R1025 PolarHBondContact O-N 2.88Å; R1025-V1027 VanDerWaalsContact C-N 3.28Å; R1025-E1028 IonicContact CZ-OE1 3.37Å; R1025-E1028 IonicContact CZ-OE2 2.61Å; R1025-E1028 VanDerWaalsContact CZ-OE2 3.25Å; R1025-E1028 IonicContact NE-OE1 3.75Å; R1025-E1028 PolarHBondContact NE-OE1 2.92Å; R1025-E1028 IonicContact NE-OE2 3.06Å; R1025-E1028 PolarHBondContact NE-OE2 2.93Å; R1025-E1028 IonicContact NH2-OE1 2.77Å; R1025-E1028 PolarHBondContact NH2-OE1 2.9Å; R1025-E1028 IonicContact NH2-OE2 2.81Å; R1025-E1028 PolarHBondContact NH2-OE2 2.87Å; R1025-I1041 HydrophobicContact CB-CD1 4.33Å; R1025-I1041 PolarHBondContact NH1-O 3.24Å; R1025-A1042 VanDerWaalsContact NH1-C 3.26Å; R1025-A1042 VanDerWaalsContact NH1-CA 3.32Å; R1025-A1042 PolarHBondContact NH1-O 2.98Å; R1025-A1042 PolarHBondContact NH2-O 3.26Å; R1025-I1044 PolarHBondContact NH1-O 3.41Å; R1025-L1046 HydrophobicContact CB-CD2 4.14Å; R1025-L1046 HydrophobicContact CG-CD2 3.99Å; R1025-L1049 HydrophobicContact CB-CD2 3.89Å; R1025-R1050 PolarHBondContact O-NH2 3.34Å |
| 1026 | L | 91 | Very high | 91.2 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -78.1 | -18 | 174.9 | -70.4 | 178.6 | 0 | 0 | 0 | 112.5 | K185 K188 M189 M742 V1021 F1024 | K185-L1026 HydrophobicContact CG-CD1 4.14Å; K188-L1026 HydrophobicContact CB-CD2 3.65Å; K188-L1026 HydrophobicContact CD-CD2 4.17Å; M189-L1026 HydrophobicContact CE-CD1 3.86Å; M189-L1026 HydrophobicContact CG-CD1 3.86Å; M189-L1026 HydrophobicContact CG-CD2 4.39Å; M189-L1026 HydrophobicContact CG-CG 4.39Å; M189-L1026 HydrophobicContact SD-CD1 4.15Å; M742-L1026 HydrophobicContact CG-CB 4.05Å; M742-L1026 HydrophobicContact CG-CD1 4.35Å; M742-L1026 HydrophobicContact CG-CD2 4.26Å; M742-L1026 HydrophobicContact CG-CG 4.47Å; V1021-L1026 HydrophobicContact CG1-CB 3.9Å; V1021-L1026 HydrophobicContact CG1-CD1 4.47Å; V1021-L1026 HydrophobicContact CG2-CD1 4.36Å; V1021-L1026 PolarHBondContact O-N 2.98Å; F1024-L1026 VanDerWaalsContact C-N 3.27Å; F1024-L1026 HydrophobicContact CB-CG 4.24Å; F1024-L1026 PolarHBondContact O-N 2.84Å |
| 1027 | V | 90 | Very high | 91.4 | Very high | 18 Ų | 18 | 23 Ų | 23 | 11% | 0.109 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -131 | 135.4 | 172.5 | 177.3 | 0 | 0 | 0 | 0 | 106.3 | M983 R984 Y985 V1021 R1025 | M983-V1027 HydrophobicContact CE-CB 4.05Å; M983-V1027 HydrophobicContact CE-CG1 4.33Å; M983-V1027 HydrophobicContact CE-CG2 4.06Å; M983-V1027 HydrophobicContact CG-CG1 4.25Å; R984-V1027 WeakPolarHBondContact O-CG1 3.42Å; Y985-V1027 HydrophobicContact CD1-CG2 4.19Å; Y985-V1027 HydrophobicContact CE1-CG2 4.42Å; V1021-V1027 HydrophobicContact CG1-CB 4.37Å; V1021-V1027 HydrophobicContact CG1-CG2 3.8Å; R1025-V1027 VanDerWaalsContact C-N 3.28Å |
| 1028 | E | 89.9 | Confident | 91.6 | Very high | 79 Ų | 79 | 27.5 Ų | 27.5 | 37% | 0.369 | 17% | 0.174 | S | C | . | . | trans | -72.8 | 148.3 | 177.4 | -63.2 | -66.6 | 163 | 0 | 0 | 110.8 | A957 R1025 | A957-E1028 WeakPolarHBondContact CB-OE1 3.31Å; R1025-E1028 IonicContact CZ-OE1 3.37Å; R1025-E1028 IonicContact CZ-OE2 2.61Å; R1025-E1028 VanDerWaalsContact CZ-OE2 3.25Å; R1025-E1028 IonicContact NE-OE1 3.75Å; R1025-E1028 PolarHBondContact NE-OE1 2.92Å; R1025-E1028 IonicContact NE-OE2 3.06Å; R1025-E1028 PolarHBondContact NE-OE2 2.93Å; R1025-E1028 IonicContact NH2-OE1 2.77Å; R1025-E1028 PolarHBondContact NH2-OE1 2.9Å; R1025-E1028 IonicContact NH2-OE2 2.81Å; R1025-E1028 PolarHBondContact NH2-OE2 2.87Å | ||
| 1029 | P | 91.4 | Very high | 91.7 | Very high | 52 Ų | 52 | 28.1 Ų | 28.1 | 34% | 0.338 | 18% | 0.177 | S | C | . | . | trans | -59.9 | 142.8 | 177.8 | 23.5 | -32.9 | 0 | 0 | 0 | 112.4 | Y981 | Y981-P1029 HydrophobicContact CE2-CB 3.81Š| ||
| 1030 | A | 90.1 | Very high | 91.7 | Very high | 54 Ų | 54 | 30.7 Ų | 30.7 | 45% | 0.446 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -91.4 | -11.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K982 R984 | K982-A1030 WeakPolarHBondContact O-CA 3.34Å; K982-A1030 WeakPolarHBondContact O-CB 3.42Å; K982-A1030 PolarHBondContact O-N 2.66Å; R984-A1030 HydrophobicContact CG-CB 4.21Å |
| 1031 | G | 89.9 | Confident | 91.7 | Very high | 25 Ų | 25 | 30.9 Ų | 30.9 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | 162.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K982 | K982-G1031 PolarHBondContact N-O 2.94Å; K982-G1031 PolarHBondContact O-N 3.45Å |
| 1032 | G | 92.4 | Very high | 91.6 | Very high | 41 Ų | 41 | 32 Ų | 32 | 42% | 0.423 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.9 | -172.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H979 | H979-G1032 CarbonylContact O-C 3.6Å; H979-G1032 WeakPolarHBondContact O-CA 3.32Å |
| 1033 | S | 94.2 | Very high | 91.4 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 168.9 | -178.9 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | H979 | H979-S1033 PolarHBondContact N-O 3.19Å; H979-S1033 PolarHBondContact O-N 3.18Å |
| 1034 | I | 95.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123.3 | 170.2 | -57.6 | 173.6 | 0 | 0 | 0 | 107.4 | I976 T977 F978 Y981 A1022 I1041 | I976-I1034 HydrophobicContact CG2-CG2 4.2Å; T977-I1034 CarbonylContact O-C 3.53Å; T977-I1034 WeakPolarHBondContact O-CA 3.29Å; F978-I1034 HydrophobicContact CD1-CD1 3.82Å; F978-I1034 HydrophobicContact CD1-CG1 3.7Å; F978-I1034 HydrophobicContact CE1-CD1 3.45Å; F978-I1034 VanDerWaalsContact CE1-CD1 3.45Å; F978-I1034 HydrophobicContact CE1-CG1 3.85Å; F978-I1034 HydrophobicContact CG-CG1 4.47Å; F978-I1034 HydrophobicContact CZ-CD1 4.29Å; Y981-I1034 HydrophobicContact CD2-CD1 3.84Å; Y981-I1034 HydrophobicContact CD2-CG1 3.51Å; Y981-I1034 HydrophobicContact CE1-CD1 4.33Å; Y981-I1034 HydrophobicContact CE2-CD1 3.54Å; Y981-I1034 HydrophobicContact CE2-CG1 3.66Å; Y981-I1034 HydrophobicContact CG-CD1 4.33Å; Y981-I1034 HydrophobicContact CG-CG1 4.14Å; A1022-I1034 HydrophobicContact CB-CD1 4.27Å; I1034-I1041 HydrophobicContact CB-CD1 3.81Å; I1034-I1041 HydrophobicContact CB-CG1 4.08Å; I1034-I1041 HydrophobicContact CD1-CD1 4.07Å; I1034-I1041 HydrophobicContact CG1-CD1 4.43Å; I1034-I1041 HydrophobicContact CG2-CD1 4.16Å; I1034-I1041 PolarHBondContact O-N 3.08Å; I1034-I1041 VanDerWaalsContact O-N 3.11Å |
| 1035 | L | 94.1 | Very high | 91 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141 | 174.2 | -54.9 | 175 | 0 | 0 | 0 | 109.5 | I976 T977 V1039 D1040 | I976-L1035 WeakPolarHBondContact CA-O 3.14Å; T977-L1035 PolarHBondContact N-O 3.49Å; T977-L1035 PolarHBondContact O-N 2.94Å; L1035-V1039 WeakPolarHBondContact CA-O 3.28Å; L1035-D1040 HydrophobicContact CD2-CB 3.92Å |
| 1036 | I | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 120.4 | 167.1 | -61 | 177.5 | 0 | 0 | 0 | 107.9 | W970 P971 A975 I976 L1023 D1038 V1039 I1041 L1049 I1133 | W970-I1036 HydrophobicContact CZ2-CB 3.87Å; W970-I1036 HydrophobicContact CZ2-CG2 3.96Å; W970-I1036 PolarHBondContact NE1-O 3.49Å; P971-I1036 HydrophobicContact CB-CG2 4.12Å; A975-I1036 WeakPolarHBondContact O-CA 3.24Å; I976-I1036 HydrophobicContact CG1-CG1 4.38Å; I976-I1036 HydrophobicContact CG2-CG1 4.46Å; L1023-I1036 HydrophobicContact CD1-CD1 4.04Å; I1036-D1038 VanDerWaalsContact C-N 3.29Å; I1036-D1038 PolarHBondContact O-N 3.28Å; I1036-V1039 PolarHBondContact N-O 3.43Å; I1036-V1039 PolarHBondContact O-N 3.12Å; I1036-I1041 HydrophobicContact CB-CG2 4.43Å; I1036-I1041 HydrophobicContact CD1-CG2 3.72Å; I1036-I1041 HydrophobicContact CG1-CG2 3.87Å; I1036-L1049 HydrophobicContact CD1-CD1 4.27Å; I1036-I1133 HydrophobicContact CD1-CD1 4.24Å; I1036-I1133 HydrophobicContact CG2-CD1 3.59Å |
| 1037 | D | 90.9 | Very high | 90.8 | Very high | 33 Ų | 33 | 36.7 Ų | 36.7 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | 53.3 | -167.2 | -67 | -7.7 | 0 | 0 | 0 | 111.9 | P971 K972 N973 G974 A975 V1039 | P971-D1037 WeakPolarHBondContact CA-OD2 3.36Å; P971-D1037 WeakPolarHBondContact CB-OD2 3.46Å; K972-D1037 PolarHBondContact N-OD2 2.91Å; N973-D1037 PolarHBondContact N-OD2 3.31Å; G974-D1037 WeakPolarHBondContact CA-OD1 2.96Å; G974-D1037 PolarHBondContact N-OD1 2.97Å; G974-D1037 PolarHBondContact N-OD2 2.98Å; A975-D1037 PolarHBondContact N-OD1 3.17Å; A975-D1037 PolarHBondContact O-N 3.5Å; D1037-V1039 PolarHBondContact O-N 3.06Å |
| 1038 | D | 88.1 | Confident | 90.8 | Very high | 143 Ų | 143 | 37.9 Ų | 37.9 | 77% | 0.765 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 6 | -176.2 | -58 | -41.1 | 0 | 0 | 0 | 116.8 | I1036 | I1036-D1038 VanDerWaalsContact C-N 3.29Å; I1036-D1038 PolarHBondContact O-N 3.28Å |
| 1039 | V | 89.9 | Confident | 90.9 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124 | 176.1 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | P967 L1035 I1036 D1037 I1041 I1044 | P967-V1039 HydrophobicContact CG-CG2 4.08Å; L1035-V1039 WeakPolarHBondContact CA-O 3.28Å; I1036-V1039 PolarHBondContact N-O 3.43Å; I1036-V1039 PolarHBondContact O-N 3.12Å; D1037-V1039 PolarHBondContact O-N 3.06Å; V1039-I1041 PolarHBondContact O-N 2.97Å; V1039-I1044 HydrophobicContact CB-CD1 4.41Å; V1039-I1044 HydrophobicContact CG1-CD1 3.77Å; V1039-I1044 HydrophobicContact CG1-CG1 4.13Å |
| 1040 | D | 91.1 | Very high | 90.9 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 31% | 0.31 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 119.6 | 174.6 | 176.8 | 12.7 | 0 | 0 | 0 | 112 | L1035 A1042 A1043 | L1035-D1040 HydrophobicContact CD2-CB 3.92Å; D1040-A1042 PolarHBondContact O-N 3.32Å; D1040-A1042 VanDerWaalsContact O-N 3.14Å; D1040-A1042 VanDerWaalsContact OD1-CB 3.24Å; D1040-A1042 WeakPolarHBondContact OD1-CB 3.38Å; D1040-A1042 PolarHBondContact OD1-N 3.28Å; D1040-A1042 WeakPolarHBondContact OD2-CB 3.33Å; D1040-A1043 PolarHBondContact O-N 3.12Å; D1040-A1043 VanDerWaalsContact O-N 3.09Å |
| 1041 | I | 91 | Very high | 90.9 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -64 | -17.7 | 179.3 | 72.5 | 172.9 | 0 | 0 | 0 | 112.9 | R1025 I1034 I1036 V1039 A1043 I1044 L1049 | R1025-I1041 HydrophobicContact CB-CD1 4.33Å; R1025-I1041 PolarHBondContact NH1-O 3.24Å; I1034-I1041 HydrophobicContact CB-CD1 3.81Å; I1034-I1041 HydrophobicContact CB-CG1 4.08Å; I1034-I1041 HydrophobicContact CD1-CD1 4.07Å; I1034-I1041 HydrophobicContact CG1-CD1 4.43Å; I1034-I1041 HydrophobicContact CG2-CD1 4.16Å; I1034-I1041 PolarHBondContact O-N 3.08Å; I1034-I1041 VanDerWaalsContact O-N 3.11Å; I1036-I1041 HydrophobicContact CB-CG2 4.43Å; I1036-I1041 HydrophobicContact CD1-CG2 3.72Å; I1036-I1041 HydrophobicContact CG1-CG2 3.87Å; V1039-I1041 PolarHBondContact O-N 2.97Å; I1041-A1043 VanDerWaalsContact C-N 3.28Å; I1041-A1043 PolarHBondContact O-N 3.47Å; I1041-I1044 PolarHBondContact O-N 3.17Å; I1041-L1049 HydrophobicContact CB-CD1 4.23Å; I1041-L1049 HydrophobicContact CB-CD2 4.15Å; I1041-L1049 HydrophobicContact CG2-CD1 3.91Å |
| 1042 | A | 88.9 | Confident | 90.9 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 30% | 0.298 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -66.7 | -29.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1025 D1040 | R1025-A1042 VanDerWaalsContact NH1-C 3.26Å; R1025-A1042 VanDerWaalsContact NH1-CA 3.32Å; R1025-A1042 PolarHBondContact NH1-O 2.98Å; R1025-A1042 PolarHBondContact NH2-O 3.26Å; D1040-A1042 PolarHBondContact O-N 3.32Å; D1040-A1042 VanDerWaalsContact O-N 3.14Å; D1040-A1042 VanDerWaalsContact OD1-CB 3.24Å; D1040-A1042 WeakPolarHBondContact OD1-CB 3.38Å; D1040-A1042 PolarHBondContact OD1-N 3.28Å; D1040-A1042 WeakPolarHBondContact OD2-CB 3.33Å |
| 1043 | A | 87.4 | Confident | 90.9 | Very high | 56 Ų | 56 | 33.1 Ų | 33.1 | 46% | 0.463 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -84.3 | -12.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A964 D1040 I1041 | A964-A1043 WeakPolarHBondContact CB-O 3.27Å; D1040-A1043 PolarHBondContact O-N 3.12Å; D1040-A1043 VanDerWaalsContact O-N 3.09Å; I1041-A1043 VanDerWaalsContact C-N 3.28Å; I1041-A1043 PolarHBondContact O-N 3.47Å |
| 1044 | I | 88.9 | Confident | 90.9 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -93.5 | 148.3 | -174.3 | -54.9 | 178.5 | 0 | 0 | 0 | 110.8 | I966 W970 R1025 V1039 I1041 D1048 L1049 | I966-I1044 HydrophobicContact CD1-CG2 3.98Å; I966-I1044 HydrophobicContact CG1-CG2 4.42Å; W970-I1044 HydrophobicContact CH2-CD1 3.31Å; W970-I1044 HydrophobicContact CZ2-CD1 3.37Å; W970-I1044 HydrophobicContact CZ3-CD1 3.93Å; R1025-I1044 PolarHBondContact NH1-O 3.41Å; V1039-I1044 HydrophobicContact CB-CD1 4.41Å; V1039-I1044 HydrophobicContact CG1-CD1 3.77Å; V1039-I1044 HydrophobicContact CG1-CG1 4.13Å; I1041-I1044 PolarHBondContact O-N 3.17Å; I1044-D1048 HydrophobicContact CG2-CB 4.06Å; I1044-L1049 HydrophobicContact CG2-CB 4.18Å |
| 1045 | G | 90.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -67.7 | 137.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | R959 R1047 D1048 L1049 | R959-G1045 CarbonylContact O-C 3.54Å; R959-G1045 VanDerWaalsContact O-C 3.29Å; R959-G1045 WeakPolarHBondContact O-CA 3.4Å; G1045-R1047 VanDerWaalsContact C-N 3.26Å; G1045-R1047 PolarHBondContact O-N 2.62Å; G1045-R1047 VanDerWaalsContact O-N 3.15Å; G1045-D1048 WeakPolarHBondContact O-CB 3.49Å; G1045-D1048 PolarHBondContact O-N 2.92Å; G1045-L1049 PolarHBondContact O-N 2.78Å | ||
| 1046 | L | 90.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -32.5 | -171.6 | -67.5 | -177.1 | 0 | 0 | 0 | 114.3 | E956 A957 P958 R959 R1025 R1050 | E956-L1046 HydrophobicContact CG-CD1 3.63Å; E956-L1046 WeakPolarHBondContact OE1-CD1 3.15Å; A957-L1046 HydrophobicContact CB-CD1 3.88Å; A957-L1046 HydrophobicContact CB-CG 4.09Å; A957-L1046 WeakPolarHBondContact O-CD1 3.26Å; P958-L1046 PolarHBondContact O-N 3.08Å; R959-L1046 PolarHBondContact O-N 3.32Å; R1025-L1046 HydrophobicContact CB-CD2 4.14Å; R1025-L1046 HydrophobicContact CG-CD2 3.99Å; L1046-R1050 VanDerWaalsContact O-CB 3.29Å; L1046-R1050 WeakPolarHBondContact O-CB 3.49Å; L1046-R1050 WeakPolarHBondContact O-CG 3.14Å; L1046-R1050 PolarHBondContact O-N 3.38Å |
| 1047 | R | 89.2 | Confident | 90.3 | Very high | 65 Ų | 65 | 30.3 Ų | 30.3 | 25% | 0.245 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73 | -40.1 | 175.8 | 178.1 | 177.7 | 179.1 | 172.7 | 23.7 | 111.2 | A191 E194 R959 H960 G1045 L1049 R1050 S1051 | A191-R1047 HydrophobicContact CB-CG 4.25Å; E194-R1047 IonicContact OE2-CZ 3.84Å; E194-R1047 IonicContact OE2-NH1 3.84Å; E194-R1047 PolarHBondContact OE2-NH1 3.18Å; E194-R1047 IonicContact OE2-NH2 2.66Å; E194-R1047 PolarHBondContact OE2-NH2 3.11Å; R959-R1047 HydrophobicContact CB-CB 4.16Å; R959-R1047 WeakPolarHBondContact O-CB 3.22Å; R959-R1047 PolarHBondContact O-N 3.13Å; H960-R1047 PolarHBondContact NE2-NH1 3.29Å; G1045-R1047 VanDerWaalsContact C-N 3.26Å; G1045-R1047 PolarHBondContact O-N 2.62Å; G1045-R1047 VanDerWaalsContact O-N 3.15Å; R1047-L1049 VanDerWaalsContact C-N 3.34Å; R1047-R1050 PolarHBondContact O-N 3.07Å; R1047-S1051 WeakPolarHBondContact O-CB 3.47Å; R1047-S1051 PolarHBondContact O-N 2.73Å; R1047-S1051 PolarHBondContact O-OG 2.75Å |
| 1048 | D | 89.1 | Confident | 89.9 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 23% | 0.23 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | -177.3 | -53.4 | -49.5 | 0 | 0 | 0 | 109.2 | H960 I966 I1044 G1045 S1051 | H960-D1048 IonicContact CE1-OD1 3.67Å; H960-D1048 PolarHBondContact CE1-OD1 2.95Å; H960-D1048 IonicContact CG-OD2 3.69Å; H960-D1048 VanDerWaalsContact ND1-CG 3.26Å; H960-D1048 IonicContact ND1-OD1 2.95Å; H960-D1048 PolarHBondContact ND1-OD1 3.35Å; H960-D1048 IonicContact ND1-OD2 3.76Å; H960-D1048 PolarHBondContact ND1-OD2 2.9Å; I966-D1048 HydrophobicContact CD1-CB 3.99Å; I1044-D1048 HydrophobicContact CG2-CB 4.06Å; G1045-D1048 WeakPolarHBondContact O-CB 3.49Å; G1045-D1048 PolarHBondContact O-N 2.92Å; D1048-S1051 PolarHBondContact O-OG 3.23Å |
| 1049 | L | 91.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57 | -62.2 | 169 | 176.9 | 66.1 | 0 | 0 | 0 | 112.8 | W970 R1025 I1036 I1041 I1044 G1045 R1047 S1051 K1052 L1053 | W970-L1049 HydrophobicContact CH2-CD1 3.91Å; R1025-L1049 HydrophobicContact CB-CD2 3.89Å; I1036-L1049 HydrophobicContact CD1-CD1 4.27Å; I1041-L1049 HydrophobicContact CB-CD1 4.23Å; I1041-L1049 HydrophobicContact CB-CD2 4.15Å; I1041-L1049 HydrophobicContact CG2-CD1 3.91Å; I1044-L1049 HydrophobicContact CG2-CB 4.18Å; G1045-L1049 PolarHBondContact O-N 2.78Å; R1047-L1049 VanDerWaalsContact C-N 3.34Å; L1049-S1051 PolarHBondContact O-N 3.2Å; L1049-S1051 VanDerWaalsContact O-N 3.15Å; L1049-K1052 PolarHBondContact O-N 2.93Å; L1049-L1053 HydrophobicContact CD1-CD1 4.29Å; L1049-L1053 HydrophobicContact CG-CD1 4.47Å |
| 1050 | R | 93.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.3 | -9.8 | -171.8 | -63.8 | -179.6 | -165.7 | 154 | 1.6 | 114.5 | K188 A191 E956 F1024 R1025 L1046 R1047 R1129 | K188-R1050 WeakPolarHBondContact O-CD 3.49Å; A191-R1050 HydrophobicContact CB-CB 4.06Å; E956-R1050 IonicContact OE1-CZ 2.8Å; E956-R1050 IonicContact OE1-NH1 2.8Å; E956-R1050 PolarHBondContact OE1-NH1 3.25Å; E956-R1050 VanDerWaalsContact OE1-NH1 3.09Å; E956-R1050 IonicContact OE1-NH2 2.89Å; E956-R1050 PolarHBondContact OE1-NH2 3.42Å; F1024-R1050 HydrophobicContact CD1-CG 4.24Å; F1024-R1050 PolarHBondContact O-NE 2.88Å; F1024-R1050 PolarHBondContact O-NH2 2.77Å; R1025-R1050 PolarHBondContact O-NH2 3.34Å; L1046-R1050 VanDerWaalsContact O-CB 3.29Å; L1046-R1050 WeakPolarHBondContact O-CB 3.49Å; L1046-R1050 WeakPolarHBondContact O-CG 3.14Å; L1046-R1050 PolarHBondContact O-N 3.38Å; R1047-R1050 PolarHBondContact O-N 3.07Å; R1050-R1129 PolarHBondContact O-NH1 2.89Å |
| 1051 | S | 89.4 | Confident | 89 | Confident | 56 Ų | 56 | 29.5 Ų | 29.5 | 39% | 0.392 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -78 | -21.9 | 169.6 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | R1047 D1048 L1049 | R1047-S1051 WeakPolarHBondContact O-CB 3.47Å; R1047-S1051 PolarHBondContact O-N 2.73Å; R1047-S1051 PolarHBondContact O-OG 2.75Å; D1048-S1051 PolarHBondContact O-OG 3.23Å; L1049-S1051 PolarHBondContact O-N 3.2Å; L1049-S1051 VanDerWaalsContact O-N 3.15Å |
| 1052 | K | 90.4 | Very high | 88.9 | Confident | 88 Ų | 88 | 29.2 Ų | 29.2 | 38% | 0.383 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -98 | -9.1 | -176.5 | -66.2 | -62.8 | -169.9 | 159.1 | 0 | 114.6 | W970 P971 L1049 S1131 | W970-K1052 HydrophobicContact CE3-CG 4.47Å; W970-K1052 HydrophobicContact CZ3-CG 4.39Å; W970-K1052 WeakPolarHBondContact O-CE 3.42Å; W970-K1052 PolarHBondContact O-NZ 3.38Å; P971-K1052 HydrophobicContact CG-CB 4.39Å; L1049-K1052 PolarHBondContact O-N 2.93Å; K1052-S1131 WeakPolarHBondContact O-CB 3.32Å |
| 1053 | L | 92.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 149.4 | 175.6 | -53.4 | 178.8 | 0 | 0 | 0 | 110.3 | L1023 F1024 L1049 R1129 I1133 | L1023-L1053 HydrophobicContact CG-CD1 4.39Å; F1024-L1053 HydrophobicContact CD1-CB 4.4Å; F1024-L1053 HydrophobicContact CD1-CD1 4.11Å; F1024-L1053 HydrophobicContact CD2-CD1 4.35Å; F1024-L1053 HydrophobicContact CE1-CB 3.6Å; F1024-L1053 HydrophobicContact CE1-CD1 4.1Å; F1024-L1053 HydrophobicContact CE2-CB 4.41Å; F1024-L1053 HydrophobicContact CE2-CD1 4.34Å; F1024-L1053 HydrophobicContact CG-CD1 4.24Å; F1024-L1053 HydrophobicContact CZ-CB 3.6Å; F1024-L1053 HydrophobicContact CZ-CD1 4.21Å; L1049-L1053 HydrophobicContact CD1-CD1 4.29Å; L1049-L1053 HydrophobicContact CG-CD1 4.47Å; L1053-R1129 PolarHBondContact O-NH1 3.46Å; L1053-I1133 HydrophobicContact CD2-CB 3.73Å; L1053-I1133 HydrophobicContact CD2-CD1 3.99Å; L1053-I1133 HydrophobicContact CD2-CG1 4.46Å; L1053-I1133 HydrophobicContact CD2-CG2 3.84Å |
| 1054 | S | 92.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 151.6 | 165.1 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | R1129 S1131 I1133 L1135 | S1054-R1129 WeakPolarHBondContact OG-CB 3.07Å; S1054-R1129 WeakPolarHBondContact OG-CD 3.3Å; S1054-S1131 WeakPolarHBondContact CB-OG 3.47Å; S1054-S1131 WeakPolarHBondContact OG-CB 3.23Å; S1054-S1131 PolarHBondContact OG-OG 3.09Å; S1054-I1133 PolarHBondContact N-O 3.15Å; S1054-L1135 PolarHBondContact O-N 3.47Å |
| 1055 | I | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.6 | 172.1 | -174.4 | 174.9 | 0 | 0 | 0 | 109.8 | M189 Y190 F1024 L1135 | M189-I1055 HydrophobicContact CB-CG2 4.04Å; M189-I1055 HydrophobicContact CE-CD1 3.69Å; M189-I1055 HydrophobicContact SD-CD1 3.61Å; M189-I1055 HydrophobicContact SD-CG2 4.48Å; Y190-I1055 HydrophobicContact CD1-CG2 4.15Å; Y190-I1055 HydrophobicContact CE1-CG2 3.54Å; Y190-I1055 WeakPolarHBondContact CE1-O 3.35Å; Y190-I1055 PolarHBondContact OH-O 3.03Å; F1024-I1055 HydrophobicContact CE2-CB 4.23Å; F1024-I1055 HydrophobicContact CZ-CB 3.84Å; F1024-I1055 HydrophobicContact CZ-CG2 4.21Å; I1055-L1135 CarbonylContact C-O 3.57Å; I1055-L1135 VanDerWaalsContact CA-O 3.29Å; I1055-L1135 WeakPolarHBondContact CA-O 3.31Å; I1055-L1135 HydrophobicContact CB-CB 4.49Å; I1055-L1135 HydrophobicContact CD1-CD2 3.92Å; I1055-L1135 HydrophobicContact CD1-CG 4.49Å; I1055-L1135 HydrophobicContact CG1-CB 4.28Å; I1055-L1135 HydrophobicContact CG1-CD2 4.23Å; I1055-L1135 HydrophobicContact CG1-CG 4.32Å |
| 1056 | I | 91.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 109.8 | 166.5 | -65.6 | 161.3 | 0 | 0 | 0 | 105.8 | M1123 A1126 I1134 L1135 L1136 D1137 A1139 F1159 | I1056-M1123 HydrophobicContact CD1-CG 4.05Å; I1056-A1126 HydrophobicContact CD1-CB 4.19Å; I1056-A1126 HydrophobicContact CG1-CB 4.11Å; I1056-I1134 HydrophobicContact CD1-CG2 4.49Å; I1056-L1135 PolarHBondContact N-O 3.05Å; I1056-L1136 HydrophobicContact CB-CD2 3.94Å; I1056-L1136 HydrophobicContact CD1-CD2 3.72Å; I1056-L1136 HydrophobicContact CG1-CD2 4.43Å; I1056-L1136 HydrophobicContact CG2-CD2 4.09Å; I1056-D1137 PolarHBondContact O-N 3.17Å; I1056-A1139 HydrophobicContact CG2-CB 3.71Å; I1056-F1159 HydrophobicContact CD1-CE2 4.12Å; I1056-F1159 HydrophobicContact CD1-CZ 4.43Å |
| 1057 | P | 87.1 | Confident | 88.8 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | trans | -85.1 | 167.5 | -172.3 | 35.2 | -37.1 | 0 | 0 | 0 | 113.4 | L186 D1059 Q1119 D1137 | L186-P1057 HydrophobicContact CD1-CB 4.37Å; L186-P1057 HydrophobicContact CD1-CG 4.17Å; L186-P1057 HydrophobicContact CD2-CB 3.73Å; L186-P1057 HydrophobicContact CD2-CG 4.14Å; P1057-D1059 WeakPolarHBondContact CG-O 3.44Å; P1057-Q1119 PolarHBondContact O-NE2 2.94Å; P1057-Q1119 PolarHBondContact O-OE1 3.33Å; P1057-D1137 CarbonylContact C-O 3.57Å | ||
| 1058 | Q | 82.2 | Confident | 89.1 | Confident | 86 Ų | 86 | 27 Ų | 27 | 40% | 0.402 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -64.6 | -46.9 | 174 | -171.4 | -177 | 41.1 | 0 | 0 | 111.4 | P1060 D1137 E1138 A1141 | Q1058-P1060 WeakPolarHBondContact O-CD 3.33Å; Q1058-D1137 WeakPolarHBondContact CA-O 3.37Å; Q1058-D1137 VanDerWaalsContact CB-O 3.31Å; Q1058-D1137 WeakPolarHBondContact CB-O 3.47Å; Q1058-D1137 PolarHBondContact N-O 3.19Å; Q1058-E1138 HydrophobicContact CB-CB 4.26Å; Q1058-E1138 HydrophobicContact CG-CB 3.94Å; Q1058-E1138 PolarHBondContact NE2-OE2 2.99Å; Q1058-A1141 HydrophobicContact CG-CB 4.44Å |
| 1059 | D | 79.1 | Confident | 89.2 | Confident | 120 Ų | 120 | 27.1 Ų | 27.1 | 64% | 0.642 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -97.4 | 107 | 173.2 | -76.7 | -46.4 | 0 | 0 | 0 | 110.4 | P1057 V1061 | P1057-D1059 WeakPolarHBondContact CG-O 3.44Å; D1059-V1061 PolarHBondContact O-N 3.48Å |
| 1060 | P | 85.1 | Confident | 89.2 | Confident | 12 Ų | 12 | 27 Ų | 27 | 8% | 0.078 | 15% | 0.147 | C | C | . | . | trans | -74.1 | 95.6 | 177.2 | 24.8 | -31.2 | 0 | 0 | 0 | 112.7 | Q1058 R1118 Q1119 | Q1058-P1060 WeakPolarHBondContact O-CD 3.33Å; P1060-R1118 VanDerWaalsContact CB-C 3.48Å; P1060-R1118 HydrophobicContact CB-CB 3.74Å; P1060-R1118 WeakPolarHBondContact CB-O 3.32Å; P1060-R1118 HydrophobicContact CG-CB 3.81Å; P1060-Q1119 HydrophobicContact CG-CB 4.4Å | ||
| 1061 | V | 85.3 | Confident | 89.2 | Confident | 26 Ų | 26 | 27.3 Ų | 27.3 | 16% | 0.158 | 15% | 0.149 | C | C | . | . | trans | -80.5 | 122 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | S183 L186 D1059 F1063 R1125 | S183-V1061 WeakPolarHBondContact OG-CG1 3.41Å; L186-V1061 HydrophobicContact CD1-CB 3.96Å; L186-V1061 HydrophobicContact CD1-CG2 3.68Å; D1059-V1061 PolarHBondContact O-N 3.48Å; V1061-F1063 HydrophobicContact CG1-CD1 4.37Å; V1061-F1063 HydrophobicContact CG1-CE1 3.94Å; V1061-F1063 HydrophobicContact CG1-CE2 4.3Å; V1061-F1063 HydrophobicContact CG1-CZ 3.91Å; V1061-R1125 PolarHBondContact O-NH1 3.1Å; V1061-R1125 PolarHBondContact O-NH2 2.92Å | ||
| 1062 | L | 89.1 | Confident | 89.3 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | trans | -103.2 | 149 | 158.4 | -52.4 | -172 | 0 | 0 | 0 | 111 | V1106 F1113 R1118 M1121 | L1062-V1106 HydrophobicContact CB-CG1 3.75Å; L1062-V1106 HydrophobicContact CD1-CG1 3.88Å; L1062-V1106 HydrophobicContact CG-CG1 4.5Å; L1062-F1113 HydrophobicContact CD1-CD2 3.94Å; L1062-F1113 HydrophobicContact CD1-CE2 4.38Å; L1062-R1118 HydrophobicContact CD1-CG 3.82Å; L1062-R1118 HydrophobicContact CG-CB 4.43Å; L1062-R1118 HydrophobicContact CG-CG 4.01Å; L1062-M1121 HydrophobicContact CD2-CB 4.25Å | ||
| 1063 | F | 89.1 | Confident | 89.3 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | trans | -106.7 | 149.3 | -176.5 | -62.8 | -76.7 | 0 | 0 | 0 | 111.6 | E179 I187 W192 F196 V1061 G1065 N1070 | E179-F1063 HydrophobicContact CB-CD1 4.4Å; I187-F1063 HydrophobicContact CD1-CE1 3.8Å; I187-F1063 HydrophobicContact CD1-CZ 3.91Å; I187-F1063 HydrophobicContact CG1-CE1 4.09Å; I187-F1063 HydrophobicContact CG1-CZ 3.65Å; W192-F1063 HydrophobicContact CE3-CE2 4.04Å; W192-F1063 HydrophobicContact CZ3-CD2 4.08Å; W192-F1063 AromaticContact CZ3-CE2 3.79Å; W192-F1063 HydrophobicContact CZ3-CE2 3.79Å; F196-F1063 HydrophobicContact CE1-CD1 4.27Å; F196-F1063 HydrophobicContact CE1-CG 4.38Å; F196-F1063 HydrophobicContact CE2-CZ 4.5Å; F196-F1063 HydrophobicContact CZ-CB 4.34Å; F196-F1063 AromaticContact CZ-CD1 3.78Å; F196-F1063 HydrophobicContact CZ-CD1 3.78Å; F196-F1063 AromaticContact CZ-CD2 3.95Å; F196-F1063 HydrophobicContact CZ-CD2 3.95Å; F196-F1063 HydrophobicContact CZ-CE1 4.02Å; F196-F1063 HydrophobicContact CZ-CE2 4.17Å; F196-F1063 AromaticContact CZ-CG 3.74Å; F196-F1063 HydrophobicContact CZ-CG 3.74Å; F196-F1063 HydrophobicContact CZ-CZ 4.21Å; V1061-F1063 HydrophobicContact CG1-CD1 4.37Å; V1061-F1063 HydrophobicContact CG1-CE1 3.94Å; V1061-F1063 HydrophobicContact CG1-CE2 4.3Å; V1061-F1063 HydrophobicContact CG1-CZ 3.91Å; F1063-G1065 PolarHBondContact O-N 3.26Å; F1063-N1070 PolarHBondContact N-OD1 3.29Å; F1063-N1070 PolarHBondContact O-ND2 3.34Å; F1063-N1070 PolarHBondContact O-OD1 3Å | ||
| 1064 | T | 86.1 | Confident | 89.1 | Confident | 42 Ų | 42 | 24.1 Ų | 24.1 | 26% | 0.258 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -65.7 | 119.8 | -179.2 | -43.7 | 0 | 0 | 0 | 0 | 110.4 | E179 K199 V1106 | E179-T1064 WeakPolarHBondContact OE1-CB 3.39Å; E179-T1064 PolarHBondContact OE1-OG1 2.99Å; E179-T1064 PolarHBondContact OE2-N 3.41Å; E179-T1064 PolarHBondContact OE2-OG1 3.27Å; K199-T1064 PolarHBondContact NZ-O 3.48Å; T1064-V1106 WeakPolarHBondContact CA-O 3.48Å |
| 1065 | G | 86.9 | Confident | 88.9 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.3 | -153 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1063 E1105 V1106 | F1063-G1065 PolarHBondContact O-N 3.26Å; G1065-E1105 CarbonylContact O-C 3.56Å; G1065-E1105 WeakPolarHBondContact O-CA 3.41Å; G1065-V1106 PolarHBondContact N-O 3.07Å; G1065-V1106 PolarHBondContact O-N 3.24Å |
| 1066 | T | 91.7 | Very high | 88.7 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 163.7 | 171.7 | 60.2 | 0 | 0 | 0 | 0 | 112 | R1068 Y1069 N1070 Q1103 A1104 | T1066-R1068 VanDerWaalsContact C-N 3.29Å; T1066-R1068 PolarHBondContact O-N 2.95Å; T1066-Y1069 PolarHBondContact O-N 3.5Å; T1066-Y1069 PolarHBondContact OG1-N 2.99Å; T1066-Y1069 VanDerWaalsContact OG1-N 3.16Å; T1066-N1070 PolarHBondContact O-N 3.12Å; T1066-N1070 VanDerWaalsContact O-N 3.12Å; T1066-N1070 PolarHBondContact O-ND2 3.4Å; T1066-Q1103 WeakPolarHBondContact CG2-O 3.38Å; T1066-A1104 VanDerWaalsContact CA-O 3.28Å; T1066-A1104 WeakPolarHBondContact CA-O 3.47Å |
| 1067 | V | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.8 | -47.5 | 169.4 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | Y1069 N1070 L1071 I1095 L1102 A1104 V1106 F1113 M1121 | V1067-Y1069 PolarHBondContact O-N 3.31Å; V1067-N1070 WeakPolarHBondContact O-CB 3.41Å; V1067-N1070 PolarHBondContact O-N 3.27Å; V1067-N1070 VanDerWaalsContact O-N 3.07Å; V1067-L1071 HydrophobicContact CG1-CD1 4.22Å; V1067-L1071 PolarHBondContact O-N 3.44Å; V1067-L1071 VanDerWaalsContact O-N 3.17Å; V1067-I1095 HydrophobicContact CG1-CD1 4.09Å; V1067-I1095 HydrophobicContact CG1-CG2 4.3Å; V1067-L1102 HydrophobicContact CG1-CD2 4.41Å; V1067-A1104 HydrophobicContact CG2-CB 4.2Å; V1067-A1104 PolarHBondContact N-O 3.48Å; V1067-A1104 VanDerWaalsContact N-O 3.08Å; V1067-V1106 HydrophobicContact CG2-CG2 3.93Å; V1067-F1113 HydrophobicContact CG2-CZ 4.31Å; V1067-M1121 HydrophobicContact CG1-CE 3.86Å |
| 1068 | R | 93.7 | Very high | 89.2 | Confident | 17 Ų | 17 | 41 Ų | 41 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.6 | -47.9 | 175.3 | -172.8 | 177 | 174.7 | 83.9 | 16.5 | 112.7 | T1066 N1070 L1071 D1072 N1075 Y1077 D1079 I1082 L1102 | T1066-R1068 VanDerWaalsContact C-N 3.29Å; T1066-R1068 PolarHBondContact O-N 2.95Å; R1068-N1070 PolarHBondContact O-N 2.93Å; R1068-L1071 PolarHBondContact O-N 2.94Å; R1068-L1071 VanDerWaalsContact O-N 3.15Å; R1068-D1072 CarbonylContact O-C 3.58Å; R1068-D1072 PolarHBondContact O-N 3.36Å; R1068-N1075 PolarHBondContact NE-OD1 2.85Å; R1068-N1075 PolarHBondContact NH2-OD1 2.94Å; R1068-Y1077 PolarHBondContact NH2-O 3.44Å; R1068-D1079 IonicContact CZ-OD1 2.58Å; R1068-D1079 IonicContact CZ-OD2 2.57Å; R1068-D1079 IonicContact NH1-OD1 3.9Å; R1068-D1079 PolarHBondContact NH1-OD1 3.2Å; R1068-D1079 IonicContact NH1-OD2 3.66Å; R1068-D1079 PolarHBondContact NH1-OD2 2.93Å; R1068-I1082 HydrophobicContact CG-CD1 4.3Å; R1068-L1102 HydrophobicContact CB-CB 4.35Å; R1068-L1102 VanDerWaalsContact CB-O 3.31Å; R1068-L1102 WeakPolarHBondContact CB-O 3.28Å; R1068-L1102 PolarHBondContact N-O 3.32Å |
| 1069 | Y | 91.7 | Very high | 89.7 | Confident | 44 Ų | 44 | 40 Ų | 40 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -27.4 | 177.9 | 179.6 | -95.3 | 0 | 0 | 0 | 113 | F196 K199 T1066 V1067 P1073 | F196-Y1069 HydrophobicContact CE1-CE1 4.38Å; F196-Y1069 HydrophobicContact CZ-CE1 4.49Å; K199-Y1069 HydrophobicContact CD-CE1 4.21Å; K199-Y1069 HydrophobicContact CD-CE2 4.49Å; K199-Y1069 WeakPolarHBondContact CD-OH 3.23Å; K199-Y1069 VanDerWaalsContact NZ-CE1 3.34Å; T1066-Y1069 PolarHBondContact O-N 3.5Å; T1066-Y1069 PolarHBondContact OG1-N 2.99Å; T1066-Y1069 VanDerWaalsContact OG1-N 3.16Å; V1067-Y1069 PolarHBondContact O-N 3.31Å; Y1069-P1073 HydrophobicContact CD2-CB 4.18Å; Y1069-P1073 HydrophobicContact CE2-CB 3.81Å; Y1069-P1073 WeakPolarHBondContact O-CB 3.29Å |
| 1070 | N | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -79.6 | -25.2 | 177.3 | -87.9 | -80.2 | 0 | 0 | 0 | 113.9 | F1063 T1066 V1067 R1068 R1125 | F1063-N1070 PolarHBondContact N-OD1 3.29Å; F1063-N1070 PolarHBondContact O-ND2 3.34Å; F1063-N1070 PolarHBondContact O-OD1 3Å; T1066-N1070 PolarHBondContact O-N 3.12Å; T1066-N1070 VanDerWaalsContact O-N 3.12Å; T1066-N1070 PolarHBondContact O-ND2 3.4Å; V1067-N1070 WeakPolarHBondContact O-CB 3.41Å; V1067-N1070 PolarHBondContact O-N 3.27Å; V1067-N1070 VanDerWaalsContact O-N 3.07Å; R1068-N1070 PolarHBondContact O-N 2.93Å; N1070-R1125 PolarHBondContact O-NE 3.46Å; N1070-R1125 PolarHBondContact O-NH2 2.86Å; N1070-R1125 PolarHBondContact OD1-NH2 3.47Å |
| 1071 | L | 92.4 | Very high | 90.7 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -88.6 | -47.6 | 175.4 | -65.7 | 172 | 0 | 0 | 0 | 110.8 | V1067 R1068 I1082 L1086 M1121 A1124 R1125 L1128 | V1067-L1071 HydrophobicContact CG1-CD1 4.22Å; V1067-L1071 PolarHBondContact O-N 3.44Å; V1067-L1071 VanDerWaalsContact O-N 3.17Å; R1068-L1071 PolarHBondContact O-N 2.94Å; R1068-L1071 VanDerWaalsContact O-N 3.15Å; L1071-I1082 HydrophobicContact CD1-CG2 3.67Å; L1071-L1086 HydrophobicContact CD1-CD1 4.03Å; L1071-L1086 HydrophobicContact CD1-CD2 3.96Å; L1071-L1086 HydrophobicContact CD1-CG 4.19Å; L1071-M1121 HydrophobicContact CD1-CE 4.04Å; L1071-M1121 HydrophobicContact CD2-CE 3.63Å; L1071-M1121 HydrophobicContact CD2-SD 4.15Å; L1071-M1121 HydrophobicContact CG-CE 3.76Å; L1071-A1124 HydrophobicContact CD2-CB 3.72Å; L1071-R1125 HydrophobicContact CD2-CG 4.24Å; L1071-L1128 HydrophobicContact CB-CD1 3.89Å |
| 1072 | D | 92.6 | Very high | 91.2 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | trans | -131.4 | 93.8 | 178.9 | 179.9 | 5.7 | 0 | 0 | 0 | 111.7 | R1068 F1074 N1075 Q1076 Y1077 I1082 | R1068-D1072 CarbonylContact O-C 3.58Å; R1068-D1072 PolarHBondContact O-N 3.36Å; D1072-F1074 PolarHBondContact O-N 3.07Å; D1072-F1074 WeakPolarHBondContact OD1-CA 3.46Å; D1072-F1074 PolarHBondContact OD1-N 2.82Å; D1072-N1075 VanDerWaalsContact CG-N 3.26Å; D1072-N1075 PolarHBondContact OD1-N 3.31Å; D1072-N1075 VanDerWaalsContact OD2-C 3.29Å; D1072-N1075 WeakPolarHBondContact OD2-CA 3.3Å; D1072-N1075 PolarHBondContact OD2-N 3.23Å; D1072-Q1076 PolarHBondContact OD2-N 3Å; D1072-Y1077 HydrophobicContact CB-CD2 4.13Å; D1072-Y1077 WeakPolarHBondContact OD2-CD2 3.34Å; D1072-Y1077 PolarHBondContact OD2-N 3.01Å; D1072-I1082 HydrophobicContact CB-CD1 4.43Å | ||
| 1073 | P | 89.9 | Confident | 91.4 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 8% | 0.078 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -81.4 | 4.7 | 175.7 | 31.9 | -34 | 0 | 0 | 0 | 114 | W192 S195 Y1069 | W192-P1073 HydrophobicContact CD2-CG 3.66Å; W192-P1073 HydrophobicContact CE3-CG 4.15Å; W192-P1073 HydrophobicContact CG-CG 4.05Å; W192-P1073 HydrophobicContact CH2-CG 4.13Å; W192-P1073 HydrophobicContact CZ2-CG 3.64Å; W192-P1073 HydrophobicContact CZ3-CG 4.36Å; S195-P1073 WeakPolarHBondContact CB-O 3.42Å; S195-P1073 PolarHBondContact OG-O 2.67Å; Y1069-P1073 HydrophobicContact CD2-CB 4.18Å; Y1069-P1073 HydrophobicContact CE2-CB 3.81Å; Y1069-P1073 WeakPolarHBondContact O-CB 3.29Å |
| 1074 | F | 88.9 | Confident | 91.6 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 27% | 0.268 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -110.7 | -16.6 | 175.7 | -68.3 | -68.3 | 0 | 0 | 0 | 113.5 | W192 D1072 Q1076 | W192-F1074 AromaticContact CD1-CE2 3.7Å; D1072-F1074 PolarHBondContact O-N 3.07Å; D1072-F1074 WeakPolarHBondContact OD1-CA 3.46Å; D1072-F1074 PolarHBondContact OD1-N 2.82Å; F1074-Q1076 HydrophobicContact CB-CG 3.84Å |
| 1075 | N | 88.8 | Confident | 91.9 | Very high | 106 Ų | 106 | 47.6 Ų | 47.6 | 57% | 0.567 | 25% | 0.245 | S | C | * | . | trans | 58.2 | 53.5 | -174.5 | -157.1 | 95.5 | 0 | 0 | 0 | 112.7 | R1068 D1072 | R1068-N1075 PolarHBondContact NE-OD1 2.85Å; R1068-N1075 PolarHBondContact NH2-OD1 2.94Å; D1072-N1075 VanDerWaalsContact CG-N 3.26Å; D1072-N1075 PolarHBondContact OD1-N 3.31Å; D1072-N1075 VanDerWaalsContact OD2-C 3.29Å; D1072-N1075 WeakPolarHBondContact OD2-CA 3.3Å; D1072-N1075 PolarHBondContact OD2-N 3.23Å | ||
| 1076 | Q | 88.5 | Confident | 92.2 | Very high | 133 Ų | 133 | 46.6 Ų | 46.6 | 62% | 0.621 | 23% | 0.234 | S | C | * | . | trans | -92.2 | -33.5 | 175.9 | -66 | 175.9 | 4.5 | 0 | 0 | 112.7 | D1072 F1074 | D1072-Q1076 PolarHBondContact OD2-N 3Å; F1074-Q1076 HydrophobicContact CB-CG 3.84Å | ||
| 1077 | Y | 92.7 | Very high | 92.3 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -98.6 | 154.4 | -173.3 | -57.2 | -86.7 | 0 | 0 | 0 | 112.4 | R1068 D1072 E1081 L1128 | R1068-Y1077 PolarHBondContact NH2-O 3.44Å; D1072-Y1077 HydrophobicContact CB-CD2 4.13Å; D1072-Y1077 WeakPolarHBondContact OD2-CD2 3.34Å; D1072-Y1077 PolarHBondContact OD2-N 3.01Å; Y1077-E1081 VanDerWaalsContact CA-OE2 3.25Å; Y1077-E1081 WeakPolarHBondContact CA-OE2 3.4Å; Y1077-E1081 WeakPolarHBondContact CB-OE2 3.41Å; Y1077-L1128 HydrophobicContact CD1-CD2 4.18Å; Y1077-L1128 VanDerWaalsContact CE1-O 3.23Å; Y1077-L1128 WeakPolarHBondContact CE1-O 3.18Å; Y1077-L1128 HydrophobicContact CE2-CB 4.41Å; Y1077-L1128 HydrophobicContact CG-CD2 4.14Å; Y1077-L1128 PolarHBondContact OH-O 3.5Å |
| 1078 | T | 94.4 | Very high | 92.1 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | trans | -80.8 | 162.8 | 174.7 | 88.2 | 0 | 0 | 0 | 0 | 111.8 | E1080 E1081 I1082 | T1078-E1080 WeakPolarHBondContact CB-OE2 3.47Å; T1078-E1080 PolarHBondContact O-N 3.03Å; T1078-E1080 PolarHBondContact OG1-N 3.5Å; T1078-E1080 PolarHBondContact OG1-OE2 3.11Å; T1078-E1081 PolarHBondContact N-OE2 3.41Å; T1078-E1081 PolarHBondContact O-N 3.43Å; T1078-E1081 PolarHBondContact OG1-N 3.28Å; T1078-I1082 WeakPolarHBondContact O-CG1 3.12Å; T1078-I1082 PolarHBondContact O-N 3.18Å | ||
| 1079 | D | 92.8 | Very high | 91.9 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 34% | 0.342 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.6 | -32.1 | 177.1 | -65.1 | 74.1 | 0 | 0 | 0 | 111.4 | R1068 I1082 W1083 L1102 | R1068-D1079 IonicContact CZ-OD1 2.58Å; R1068-D1079 IonicContact CZ-OD2 2.57Å; R1068-D1079 IonicContact NH1-OD1 3.9Å; R1068-D1079 PolarHBondContact NH1-OD1 3.2Å; R1068-D1079 IonicContact NH1-OD2 3.66Å; R1068-D1079 PolarHBondContact NH1-OD2 2.93Å; D1079-I1082 PolarHBondContact O-N 3.4Å; D1079-W1083 PolarHBondContact O-N 3.5Å; D1079-L1102 HydrophobicContact CB-CD1 4.05Å; D1079-L1102 WeakPolarHBondContact OD2-CD1 3.46Å |
| 1080 | E | 93.3 | Very high | 91.7 | Very high | 134 Ų | 134 | 58.3 Ų | 58.3 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.9 | -43.8 | 176.1 | -57.3 | 74.2 | -161.7 | 0 | 0 | 112.2 | T1078 I1082 W1083 A1084 | T1078-E1080 WeakPolarHBondContact CB-OE2 3.47Å; T1078-E1080 PolarHBondContact O-N 3.03Å; T1078-E1080 PolarHBondContact OG1-N 3.5Å; T1078-E1080 PolarHBondContact OG1-OE2 3.11Å; E1080-I1082 VanDerWaalsContact C-N 3.33Å; E1080-I1082 PolarHBondContact O-N 2.82Å; E1080-W1083 PolarHBondContact O-N 3.27Å; E1080-A1084 WeakPolarHBondContact O-CB 3.38Å; E1080-A1084 PolarHBondContact O-N 3.4Å |
| 1081 | E | 93.4 | Very high | 91.6 | Very high | 93 Ų | 93 | 58.4 Ų | 58.4 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 175.3 | -65.9 | 176.3 | 136.9 | 0 | 0 | 111.1 | Y1077 T1078 A1084 V1085 | Y1077-E1081 VanDerWaalsContact CA-OE2 3.25Å; Y1077-E1081 WeakPolarHBondContact CA-OE2 3.4Å; Y1077-E1081 WeakPolarHBondContact CB-OE2 3.41Å; T1078-E1081 PolarHBondContact N-OE2 3.41Å; T1078-E1081 PolarHBondContact O-N 3.43Å; T1078-E1081 PolarHBondContact OG1-N 3.28Å; E1081-A1084 PolarHBondContact O-N 3.42Å; E1081-V1085 PolarHBondContact O-N 3.13Å |
| 1082 | I | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -45 | 176.5 | -68.6 | 172.4 | 0 | 0 | 0 | 110.9 | R1068 L1071 D1072 T1078 D1079 E1080 A1084 V1085 L1086 L1102 L1128 | R1068-I1082 HydrophobicContact CG-CD1 4.3Å; L1071-I1082 HydrophobicContact CD1-CG2 3.67Å; D1072-I1082 HydrophobicContact CB-CD1 4.43Å; T1078-I1082 WeakPolarHBondContact O-CG1 3.12Å; T1078-I1082 PolarHBondContact O-N 3.18Å; D1079-I1082 PolarHBondContact O-N 3.4Å; E1080-I1082 VanDerWaalsContact C-N 3.33Å; E1080-I1082 PolarHBondContact O-N 2.82Å; I1082-A1084 VanDerWaalsContact C-N 3.34Å; I1082-A1084 PolarHBondContact O-N 3.01Å; I1082-V1085 PolarHBondContact O-N 2.91Å; I1082-L1086 HydrophobicContact CG2-CD1 3.89Å; I1082-L1086 HydrophobicContact CG2-CG 4.36Å; I1082-L1086 WeakPolarHBondContact O-CB 3.34Å; I1082-L1086 VanDerWaalsContact O-CG 3.3Å; I1082-L1086 WeakPolarHBondContact O-CG 3.47Å; I1082-L1086 PolarHBondContact O-N 3.44Å; I1082-L1102 HydrophobicContact CG2-CD1 4.18Å; I1082-L1102 HydrophobicContact CG2-CD2 3.86Å; I1082-L1128 HydrophobicContact CG1-CD1 4.24Å; I1082-L1128 HydrophobicContact CG1-CD2 4.06Å |
| 1083 | W | 94.6 | Very high | 91.3 | Very high | 64 Ų | 64 | 65.8 Ų | 65.8 | 24% | 0.242 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 175.8 | -80 | 119.9 | 0 | 0 | 0 | 113.1 | D1079 E1080 L1086 Q1087 K1092 I1095 L1102 | D1079-W1083 PolarHBondContact O-N 3.5Å; E1080-W1083 PolarHBondContact O-N 3.27Å; W1083-L1086 HydrophobicContact CE3-CB 4.49Å; W1083-L1086 HydrophobicContact CE3-CD1 4.19Å; W1083-L1086 HydrophobicContact CZ3-CD1 4.45Å; W1083-L1086 PolarHBondContact O-N 2.93Å; W1083-Q1087 PolarHBondContact O-N 2.97Å; W1083-K1092 HydrophobicContact CE3-CG 3.97Å; W1083-K1092 HydrophobicContact CZ3-CG 4Å; W1083-I1095 HydrophobicContact CH2-CB 4.44Å; W1083-I1095 HydrophobicContact CH2-CG2 3.89Å; W1083-I1095 HydrophobicContact CZ3-CB 4.41Å; W1083-I1095 HydrophobicContact CZ3-CG2 4.22Å; W1083-L1102 HydrophobicContact CZ2-CD1 4.47Å; W1083-L1102 HydrophobicContact CZ2-CD2 4.21Å; W1083-L1102 HydrophobicContact CZ2-CG 3.89Å |
| 1084 | A | 93.3 | Very high | 91.2 | Very high | 55 Ų | 55 | 67.1 Ų | 67.1 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | E1080 E1081 I1082 K1088 | E1080-A1084 WeakPolarHBondContact O-CB 3.38Å; E1080-A1084 PolarHBondContact O-N 3.4Å; E1081-A1084 PolarHBondContact O-N 3.42Å; I1082-A1084 VanDerWaalsContact C-N 3.34Å; I1082-A1084 PolarHBondContact O-N 3.01Å; A1084-K1088 PolarHBondContact O-N 3.33Å |
| 1085 | V | 92.7 | Very high | 91.2 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 13% | 0.127 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.1 | -43.3 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | E1081 I1082 Q1087 K1088 T1089 A1124 L1127 L1128 | E1081-V1085 PolarHBondContact O-N 3.13Å; I1082-V1085 PolarHBondContact O-N 2.91Å; V1085-Q1087 PolarHBondContact O-N 3.24Å; V1085-K1088 WeakPolarHBondContact O-CB 3.47Å; V1085-K1088 PolarHBondContact O-N 3.29Å; V1085-T1089 PolarHBondContact O-N 3.26Å; V1085-T1089 VanDerWaalsContact O-N 3.12Å; V1085-A1124 HydrophobicContact CG1-CB 3.88Å; V1085-L1127 HydrophobicContact CG1-CB 3.6Å; V1085-L1127 HydrophobicContact CG1-CD1 4.05Å; V1085-L1127 HydrophobicContact CG1-CG 4.49Å; V1085-L1127 HydrophobicContact CG2-CB 4.32Å; V1085-L1128 HydrophobicContact CB-CD2 4.34Å; V1085-L1128 HydrophobicContact CB-CG 4.3Å; V1085-L1128 HydrophobicContact CG1-CG 4.25Å; V1085-L1128 HydrophobicContact CG2-CD2 3.87Å; V1085-L1128 HydrophobicContact CG2-CG 4.08Å |
| 1086 | L | 93 | Very high | 91.3 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -22.8 | 176.9 | -70.7 | 173.9 | 0 | 0 | 0 | 113.4 | L1071 I1082 W1083 Y1090 M1091 K1092 I1095 L1102 M1121 A1124 | L1071-L1086 HydrophobicContact CD1-CD1 4.03Å; L1071-L1086 HydrophobicContact CD1-CD2 3.96Å; L1071-L1086 HydrophobicContact CD1-CG 4.19Å; I1082-L1086 HydrophobicContact CG2-CD1 3.89Å; I1082-L1086 HydrophobicContact CG2-CG 4.36Å; I1082-L1086 WeakPolarHBondContact O-CB 3.34Å; I1082-L1086 VanDerWaalsContact O-CG 3.3Å; I1082-L1086 WeakPolarHBondContact O-CG 3.47Å; I1082-L1086 PolarHBondContact O-N 3.44Å; W1083-L1086 HydrophobicContact CE3-CB 4.49Å; W1083-L1086 HydrophobicContact CE3-CD1 4.19Å; W1083-L1086 HydrophobicContact CZ3-CD1 4.45Å; W1083-L1086 PolarHBondContact O-N 2.93Å; L1086-Y1090 PolarHBondContact O-N 2.9Å; L1086-M1091 HydrophobicContact CD2-CB 3.97Å; L1086-M1091 PolarHBondContact O-N 3.5Å; L1086-M1091 VanDerWaalsContact O-N 3.1Å; L1086-K1092 PolarHBondContact O-N 3.35Å; L1086-I1095 HydrophobicContact CD1-CD1 3.7Å; L1086-I1095 HydrophobicContact CD2-CD1 3.62Å; L1086-I1095 HydrophobicContact CG-CD1 4.23Å; L1086-L1102 HydrophobicContact CD1-CD2 3.72Å; L1086-M1121 HydrophobicContact CD2-SD 3.88Å; L1086-A1124 HydrophobicContact CD2-CB 4.15Å |
| 1087 | Q | 92.6 | Very high | 91.3 | Very high | 113 Ų | 113 | 63.6 Ų | 63.6 | 53% | 0.528 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.7 | -39.5 | 169.6 | -168.7 | 168.1 | -43 | 0 | 0 | 112 | W1083 V1085 T1089 Y1090 K1092 | W1083-Q1087 PolarHBondContact O-N 2.97Å; V1085-Q1087 PolarHBondContact O-N 3.24Å; Q1087-T1089 VanDerWaalsContact C-N 3.32Å; Q1087-T1089 PolarHBondContact O-N 2.87Å; Q1087-Y1090 PolarHBondContact O-N 3.33Å; Q1087-K1092 HydrophobicContact CB-CD 4.02Å; Q1087-K1092 HydrophobicContact CG-CD 4.03Å |
| 1088 | K | 88.9 | Confident | 91 | Very high | 127 Ų | 127 | 63.5 Ų | 63.5 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.3 | -25.8 | 176.8 | -68.7 | -173.5 | 175.4 | -168.1 | 0 | 113.6 | A1084 V1085 L1127 T1154 | A1084-K1088 PolarHBondContact O-N 3.33Å; V1085-K1088 WeakPolarHBondContact O-CB 3.47Å; V1085-K1088 PolarHBondContact O-N 3.29Å; K1088-L1127 HydrophobicContact CB-CD1 4.49Å; K1088-T1154 WeakPolarHBondContact O-CG2 3.27Å |
| 1089 | T | 88.8 | Confident | 90.4 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 17.2 | 176.7 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | V1085 Q1087 M1091 M1123 A1124 L1127 T1154 | V1085-T1089 PolarHBondContact O-N 3.26Å; V1085-T1089 VanDerWaalsContact O-N 3.12Å; Q1087-T1089 VanDerWaalsContact C-N 3.32Å; Q1087-T1089 PolarHBondContact O-N 2.87Å; T1089-M1091 PolarHBondContact O-N 3.44Å; T1089-M1123 HydrophobicContact CG2-CB 4.18Å; T1089-M1123 HydrophobicContact CG2-CE 4.39Å; T1089-A1124 HydrophobicContact CG2-CB 4.04Å; T1089-L1127 HydrophobicContact CG2-CD1 3.55Å; T1089-T1154 HydrophobicContact CG2-CG2 4.27Å |
| 1090 | Y | 88.9 | Confident | 89.9 | Confident | 102 Ų | 102 | 67.6 Ų | 67.6 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 58.4 | -3 | -178.6 | -51.6 | -81.7 | 0 | 0 | 0 | 116.6 | L1086 Q1087 K1092 L1150 | L1086-Y1090 PolarHBondContact O-N 2.9Å; Q1087-Y1090 PolarHBondContact O-N 3.33Å; Y1090-K1092 VanDerWaalsContact C-N 3.29Å; Y1090-K1092 PolarHBondContact O-N 3.34Å; Y1090-L1150 HydrophobicContact CD2-CB 4.22Å; Y1090-L1150 HydrophobicContact CD2-CD2 4.01Å; Y1090-L1150 HydrophobicContact CE2-CB 4.43Å; Y1090-L1150 HydrophobicContact CE2-CD2 4Å; Y1090-L1150 HydrophobicContact CG-CD2 4.28Å |
| 1091 | M | 89.9 | Confident | 89.8 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.2 | -176.7 | -73.8 | -59.7 | -60.1 | 0 | 0 | 114.8 | L1086 T1089 D1093 S1094 I1095 F1113 E1117 L1120 M1121 | L1086-M1091 HydrophobicContact CD2-CB 3.97Å; L1086-M1091 PolarHBondContact O-N 3.5Å; L1086-M1091 VanDerWaalsContact O-N 3.1Å; T1089-M1091 PolarHBondContact O-N 3.44Å; M1091-D1093 PolarHBondContact O-N 2.84Å; M1091-S1094 PolarHBondContact O-N 2.94Å; M1091-I1095 HydrophobicContact CB-CD1 3.94Å; M1091-I1095 HydrophobicContact CE-CD1 4.36Å; M1091-I1095 HydrophobicContact CE-CG1 4.35Å; M1091-I1095 WeakPolarHBondContact O-CG1 3.2Å; M1091-I1095 PolarHBondContact O-N 2.85Å; M1091-F1113 HydrophobicContact CE-CD1 4.44Å; M1091-E1117 HydrophobicContact CE-CB 3.91Å; M1091-E1117 HydrophobicContact CE-CG 4.06Å; M1091-E1117 HydrophobicContact SD-CB 4.01Å; M1091-E1117 HydrophobicContact SD-CG 3.99Å; M1091-L1120 HydrophobicContact CG-CB 3.65Å; M1091-L1120 HydrophobicContact CG-CD1 4.24Å; M1091-L1120 HydrophobicContact SD-CB 3.93Å; M1091-L1120 HydrophobicContact SD-CD1 3.84Å; M1091-M1121 HydrophobicContact CE-CG 4.08Å; M1091-M1121 HydrophobicContact CE-SD 4.46Å; M1091-M1121 HydrophobicContact CG-CG 4.42Å; M1091-M1121 HydrophobicContact CG-SD 4.5Å |
| 1092 | K | 90.4 | Very high | 89.6 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 32% | 0.317 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -51 | -42 | -179.8 | -174.7 | -178.4 | -171.4 | -178.7 | 0 | 113 | W1083 L1086 Q1087 Y1090 S1096 | W1083-K1092 HydrophobicContact CE3-CG 3.97Å; W1083-K1092 HydrophobicContact CZ3-CG 4Å; L1086-K1092 PolarHBondContact O-N 3.35Å; Q1087-K1092 HydrophobicContact CB-CD 4.02Å; Q1087-K1092 HydrophobicContact CG-CD 4.03Å; Y1090-K1092 VanDerWaalsContact C-N 3.29Å; Y1090-K1092 PolarHBondContact O-N 3.34Å; K1092-S1096 VanDerWaalsContact O-CB 3.29Å; K1092-S1096 WeakPolarHBondContact O-CB 3.46Å; K1092-S1096 PolarHBondContact O-N 3.27Å; K1092-S1096 PolarHBondContact O-OG 3.17Å |
| 1093 | D | 88.3 | Confident | 89.5 | Confident | 98 Ų | 98 | 64.7 Ų | 64.7 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -86.5 | -19.9 | -173.9 | -68.9 | -3.6 | 0 | 0 | 0 | 113.1 | M1091 K1097 | M1091-D1093 PolarHBondContact O-N 2.84Å; D1093-K1097 WeakPolarHBondContact O-CD 3.41Å; D1093-K1097 WeakPolarHBondContact O-CE 3.27Å; D1093-K1097 VanDerWaalsContact O-CG 3.23Å; D1093-K1097 WeakPolarHBondContact O-CG 3.42Å; D1093-K1097 PolarHBondContact O-NZ 3.33Å; D1093-K1097 VanDerWaalsContact O-NZ 3.08Å |
| 1094 | S | 86.6 | Confident | 89.4 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.4 | -45.5 | 165.4 | -71.1 | 0 | 0 | 0 | 0 | 110.5 | M1091 K1097 E1117 | M1091-S1094 PolarHBondContact O-N 2.94Å; S1094-K1097 PolarHBondContact O-N 3.48Å; S1094-E1117 PolarHBondContact OG-OE1 3.03Å; S1094-E1117 VanDerWaalsContact OG-OE1 3.13Å |
| 1095 | I | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -75.6 | -31.6 | -173.7 | -65.7 | 164.5 | 0 | 0 | 0 | 112.5 | V1067 W1083 L1086 M1091 K1097 L1098 L1102 M1121 | V1067-I1095 HydrophobicContact CG1-CD1 4.09Å; V1067-I1095 HydrophobicContact CG1-CG2 4.3Å; W1083-I1095 HydrophobicContact CH2-CB 4.44Å; W1083-I1095 HydrophobicContact CH2-CG2 3.89Å; W1083-I1095 HydrophobicContact CZ3-CB 4.41Å; W1083-I1095 HydrophobicContact CZ3-CG2 4.22Å; L1086-I1095 HydrophobicContact CD1-CD1 3.7Å; L1086-I1095 HydrophobicContact CD2-CD1 3.62Å; L1086-I1095 HydrophobicContact CG-CD1 4.23Å; M1091-I1095 HydrophobicContact CB-CD1 3.94Å; M1091-I1095 HydrophobicContact CE-CD1 4.36Å; M1091-I1095 HydrophobicContact CE-CG1 4.35Å; M1091-I1095 WeakPolarHBondContact O-CG1 3.2Å; M1091-I1095 PolarHBondContact O-N 2.85Å; I1095-K1097 VanDerWaalsContact C-N 3.26Å; I1095-K1097 PolarHBondContact O-N 3.43Å; I1095-L1098 PolarHBondContact O-N 3.2Å; I1095-L1102 HydrophobicContact CG2-CD2 4.29Å; I1095-M1121 HydrophobicContact CD1-SD 3.78Å |
| 1096 | S | 89.3 | Confident | 88.9 | Confident | 61 Ų | 61 | 65.8 Ų | 65.8 | 43% | 0.427 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -20.7 | 175.4 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | K1092 | K1092-S1096 VanDerWaalsContact O-CB 3.29Å; K1092-S1096 WeakPolarHBondContact O-CB 3.46Å; K1092-S1096 PolarHBondContact O-N 3.27Å; K1092-S1096 PolarHBondContact O-OG 3.17Å |
| 1097 | K | 88.8 | Confident | 88.5 | Confident | 164 Ų | 164 | 69.9 Ų | 69.9 | 71% | 0.713 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.1 | 173.3 | -66.6 | 166.7 | -166.5 | 146.6 | 0 | 113.7 | D1093 S1094 I1095 | D1093-K1097 WeakPolarHBondContact O-CD 3.41Å; D1093-K1097 WeakPolarHBondContact O-CE 3.27Å; D1093-K1097 VanDerWaalsContact O-CG 3.23Å; D1093-K1097 WeakPolarHBondContact O-CG 3.42Å; D1093-K1097 PolarHBondContact O-NZ 3.33Å; D1093-K1097 VanDerWaalsContact O-NZ 3.08Å; S1094-K1097 PolarHBondContact O-N 3.48Å; I1095-K1097 VanDerWaalsContact C-N 3.26Å; I1095-K1097 PolarHBondContact O-N 3.43Å |
| 1098 | L | 87.6 | Confident | 87.5 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -87.3 | 137.4 | -178 | -66 | 176.3 | 0 | 0 | 0 | 112.1 | I1095 G1100 T1101 A1104 F1113 | I1095-L1098 PolarHBondContact O-N 3.2Å; L1098-G1100 PolarHBondContact O-N 3.41Å; L1098-G1100 VanDerWaalsContact O-N 3.12Å; L1098-T1101 PolarHBondContact O-N 3.4Å; L1098-A1104 HydrophobicContact CB-CB 3.94Å; L1098-A1104 HydrophobicContact CD1-CB 4.28Å; L1098-F1113 HydrophobicContact CD1-CE1 3.91Å; L1098-F1113 HydrophobicContact CD1-CZ 3.79Å |
| 1099 | D | 81.6 | Confident | 86.7 | Confident | 164 Ų | 164 | 65.2 Ų | 65.2 | 88% | 0.877 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 116.3 | 172.9 | -77.2 | -41.7 | 0 | 0 | 0 | 111.2 | A1104 | D1099-A1104 WeakPolarHBondContact O-CB 3.27Š|
| 1100 | G | 81.8 | Confident | 86.1 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -3.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1098 L1102 Q1103 | L1098-G1100 PolarHBondContact O-N 3.41Å; L1098-G1100 VanDerWaalsContact O-N 3.12Å; G1100-L1102 PolarHBondContact O-N 2.76Å; G1100-Q1103 PolarHBondContact O-N 3Å |
| 1101 | T | 90.7 | Very high | 85.5 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | 49.8 | -111.9 | 176.6 | 68.1 | 0 | 0 | 0 | 0 | 113.8 | L1098 Q1103 A1104 | L1098-T1101 PolarHBondContact O-N 3.4Å; T1101-Q1103 PolarHBondContact O-N 2.85Å; T1101-Q1103 VanDerWaalsContact O-N 3.16Å; T1101-A1104 WeakPolarHBondContact O-CB 3.49Å; T1101-A1104 PolarHBondContact O-N 3.49Å |
| 1102 | L | 90.4 | Very high | 85.2 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -63.1 | -19.2 | 176.5 | -64 | -176.4 | 0 | 0 | 0 | 113.5 | V1067 R1068 D1079 I1082 W1083 L1086 I1095 G1100 | V1067-L1102 HydrophobicContact CG1-CD2 4.41Å; R1068-L1102 HydrophobicContact CB-CB 4.35Å; R1068-L1102 VanDerWaalsContact CB-O 3.31Å; R1068-L1102 WeakPolarHBondContact CB-O 3.28Å; R1068-L1102 PolarHBondContact N-O 3.32Å; D1079-L1102 HydrophobicContact CB-CD1 4.05Å; D1079-L1102 WeakPolarHBondContact OD2-CD1 3.46Å; I1082-L1102 HydrophobicContact CG2-CD1 4.18Å; I1082-L1102 HydrophobicContact CG2-CD2 3.86Å; W1083-L1102 HydrophobicContact CZ2-CD1 4.47Å; W1083-L1102 HydrophobicContact CZ2-CD2 4.21Å; W1083-L1102 HydrophobicContact CZ2-CG 3.89Å; L1086-L1102 HydrophobicContact CD1-CD2 3.72Å; I1095-L1102 HydrophobicContact CG2-CD2 4.29Å; G1100-L1102 PolarHBondContact O-N 2.76Å |
| 1103 | Q | 91.9 | Very high | 85 | Confident | 107 Ų | 107 | 67.5 Ų | 67.5 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -97.9 | 3.9 | 174.8 | -53.6 | -59.6 | -23.2 | 0 | 0 | 113.4 | T1066 G1100 T1101 | T1066-Q1103 WeakPolarHBondContact CG2-O 3.38Å; G1100-Q1103 PolarHBondContact O-N 3Å; T1101-Q1103 PolarHBondContact O-N 2.85Å; T1101-Q1103 VanDerWaalsContact O-N 3.16Å |
| 1104 | A | 90.9 | Very high | 84.7 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 142.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1066 V1067 L1098 D1099 T1101 | T1066-A1104 VanDerWaalsContact CA-O 3.28Å; T1066-A1104 WeakPolarHBondContact CA-O 3.47Å; V1067-A1104 HydrophobicContact CG2-CB 4.2Å; V1067-A1104 PolarHBondContact N-O 3.48Å; V1067-A1104 VanDerWaalsContact N-O 3.08Å; L1098-A1104 HydrophobicContact CB-CB 3.94Å; L1098-A1104 HydrophobicContact CD1-CB 4.28Å; D1099-A1104 WeakPolarHBondContact O-CB 3.27Å; T1101-A1104 WeakPolarHBondContact O-CB 3.49Å; T1101-A1104 PolarHBondContact O-N 3.49Å |
| 1105 | E | 88.3 | Confident | 84.4 | Confident | 152 Ų | 152 | 66.4 Ų | 66.4 | 71% | 0.71 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 135.8 | 179.9 | -67.3 | -160.6 | 146.2 | 0 | 0 | 111.8 | G1065 N1112 | G1065-E1105 CarbonylContact O-C 3.56Å; G1065-E1105 WeakPolarHBondContact O-CA 3.41Å; E1105-N1112 PolarHBondContact O-ND2 3.05Å |
| 1106 | V | 88.5 | Confident | 83.9 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.1 | 172.1 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | L1062 T1064 G1065 V1067 F1113 | L1062-V1106 HydrophobicContact CB-CG1 3.75Å; L1062-V1106 HydrophobicContact CD1-CG1 3.88Å; L1062-V1106 HydrophobicContact CG-CG1 4.5Å; T1064-V1106 WeakPolarHBondContact CA-O 3.48Å; G1065-V1106 PolarHBondContact N-O 3.07Å; G1065-V1106 PolarHBondContact O-N 3.24Å; V1067-V1106 HydrophobicContact CG2-CG2 3.93Å; V1106-F1113 HydrophobicContact CG1-CE2 4.26Å; V1106-F1113 HydrophobicContact CG2-CE2 4.17Å |
| 1107 | L | 84.9 | Confident | 83.8 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 45% | 0.45 | 35% | 0.347 | S | S | . | . | trans | -77.7 | 178 | -178.5 | -59.2 | -175.8 | 0 | 0 | 0 | 111.9 | N1109 G1110 N1112 | L1107-N1109 PolarHBondContact O-N 2.9Å; L1107-G1110 PolarHBondContact O-N 2.87Å; L1107-N1112 HydrophobicContact CD1-CB 4.01Å; L1107-N1112 HydrophobicContact CG-CB 4.16Å; L1107-N1112 PolarHBondContact N-OD1 3.49Å | ||
| 1108 | E | 72 | Confident | 83.9 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -54.1 | 131 | 176.3 | -70.9 | -175.7 | -118.8 | 0 | 0 | 110.4 | R175 G1110 E1111 | R175-E1108 IonicContact CZ-OE1 3.01Å; R175-E1108 VanDerWaalsContact NE-CD 3.33Å; R175-E1108 IonicContact NE-OE1 2.86Å; R175-E1108 PolarHBondContact NE-OE1 2.88Å; R175-E1108 IonicContact NE-OE2 2.74Å; R175-E1108 IonicContact NH2-OE1 2.63Å; R175-E1108 PolarHBondContact NH2-OE1 3.32Å; E1108-G1110 PolarHBondContact O-N 2.8Å; E1108-E1111 WeakPolarHBondContact O-CG 3.39Å; E1108-E1111 PolarHBondContact O-N 3.16Å |
| 1109 | N | 71.3 | Confident | 83.9 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | 54.9 | 10.6 | -176.2 | -45.6 | -51.2 | 0 | 0 | 0 | 115.7 | L1107 R1118 | L1107-N1109 PolarHBondContact O-N 2.9Å; N1109-R1118 PolarHBondContact O-NH1 3.26Å |
| 1110 | G | 76.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | 70 | 34 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1107 E1108 N1112 F1113 R1118 | L1107-G1110 PolarHBondContact O-N 2.87Å; E1108-G1110 PolarHBondContact O-N 2.8Å; G1110-N1112 PolarHBondContact O-N 3.3Å; G1110-F1113 PolarHBondContact O-N 2.97Å; G1110-R1118 WeakPolarHBondContact O-CD 3.46Å |
| 1111 | E | 74.6 | Confident | 84.7 | Confident | 149 Ų | 149 | 48 Ų | 48 | 70% | 0.696 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | -16.2 | 177.3 | -82.7 | 176 | -172.3 | 0 | 0 | 115.1 | E1108 F1113 | E1108-E1111 WeakPolarHBondContact O-CG 3.39Å; E1108-E1111 PolarHBondContact O-N 3.16Å; E1111-F1113 VanDerWaalsContact C-N 3.34Å |
| 1112 | N | 84.8 | Confident | 84.6 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 33% | 0.326 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 9.5 | 173.1 | 60.6 | -48.7 | 0 | 0 | 0 | 115.4 | E1105 L1107 G1110 | E1105-N1112 PolarHBondContact O-ND2 3.05Å; L1107-N1112 HydrophobicContact CD1-CB 4.01Å; L1107-N1112 HydrophobicContact CG-CB 4.16Å; L1107-N1112 PolarHBondContact N-OD1 3.49Å; G1110-N1112 PolarHBondContact O-N 3.3Å |
| 1113 | F | 85.1 | Confident | 84.5 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -135.7 | 150.8 | 178.2 | -65.2 | -82.2 | 0 | 0 | 0 | 111.1 | L1062 V1067 M1091 L1098 V1106 G1110 E1111 E1117 R1118 | L1062-F1113 HydrophobicContact CD1-CD2 3.94Å; L1062-F1113 HydrophobicContact CD1-CE2 4.38Å; V1067-F1113 HydrophobicContact CG2-CZ 4.31Å; M1091-F1113 HydrophobicContact CE-CD1 4.44Å; L1098-F1113 HydrophobicContact CD1-CE1 3.91Å; L1098-F1113 HydrophobicContact CD1-CZ 3.79Å; V1106-F1113 HydrophobicContact CG1-CE2 4.26Å; V1106-F1113 HydrophobicContact CG2-CE2 4.17Å; G1110-F1113 PolarHBondContact O-N 2.97Å; E1111-F1113 VanDerWaalsContact C-N 3.34Å; F1113-E1117 WeakPolarHBondContact CA-OE2 3.43Å; F1113-E1117 HydrophobicContact CB-CB 4.14Å; F1113-E1117 HydrophobicContact CD1-CB 4.38Å; F1113-R1118 HydrophobicContact CB-CG 3.65Å; F1113-R1118 PolarHBondContact O-NE 3Å |
| 1114 | S | 82.9 | Confident | 84.6 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 38% | 0.378 | 20% | 0.204 | S | C | . | . | trans | -65.5 | 173 | 177 | 93.3 | 0 | 0 | 0 | 0 | 112.7 | G1116 E1117 R1118 | S1114-G1116 PolarHBondContact OG-N 3.42Å; S1114-E1117 PolarHBondContact N-OE2 3.47Å; S1114-E1117 WeakPolarHBondContact OG-CG 3.32Å; S1114-E1117 PolarHBondContact OG-N 3.37Å; S1114-R1118 WeakPolarHBondContact O-CB 3.49Å; S1114-R1118 VanDerWaalsContact O-CG 3.25Å; S1114-R1118 WeakPolarHBondContact O-CG 3.45Å; S1114-R1118 PolarHBondContact O-N 2.79Å; S1114-R1118 PolarHBondContact O-NE 3.33Å | ||
| 1115 | V | 79.1 | Confident | 84.6 | Confident | 60 Ų | 60 | 40 Ų | 40 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.6 | -49.6 | 171.4 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | R1118 Q1119 I1143 | V1115-R1118 PolarHBondContact O-N 2.94Å; V1115-Q1119 PolarHBondContact O-N 3.32Å; V1115-I1143 HydrophobicContact CG1-CG1 4.07Å |
| 1116 | G | 81.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1114 R1118 Q1119 L1120 | S1114-G1116 PolarHBondContact OG-N 3.42Å; G1116-R1118 VanDerWaalsContact C-N 3.31Å; G1116-R1118 PolarHBondContact O-N 3.01Å; G1116-Q1119 CarbonylContact O-C 3.54Å; G1116-Q1119 WeakPolarHBondContact O-CA 3.43Å; G1116-Q1119 WeakPolarHBondContact O-CB 3.41Å; G1116-Q1119 PolarHBondContact O-N 3.04Å; G1116-L1120 WeakPolarHBondContact O-CG 3.34Å; G1116-L1120 PolarHBondContact O-N 3.39Å |
| 1117 | E | 87.3 | Confident | 84.8 | Confident | 48 Ų | 48 | 34 Ų | 34 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 177.1 | -73.2 | -176.5 | 123.2 | 0 | 0 | 112.2 | M1091 S1094 F1113 S1114 Q1119 L1120 M1121 | M1091-E1117 HydrophobicContact CE-CB 3.91Å; M1091-E1117 HydrophobicContact CE-CG 4.06Å; M1091-E1117 HydrophobicContact SD-CB 4.01Å; M1091-E1117 HydrophobicContact SD-CG 3.99Å; S1094-E1117 PolarHBondContact OG-OE1 3.03Å; S1094-E1117 VanDerWaalsContact OG-OE1 3.13Å; F1113-E1117 WeakPolarHBondContact CA-OE2 3.43Å; F1113-E1117 HydrophobicContact CB-CB 4.14Å; F1113-E1117 HydrophobicContact CD1-CB 4.38Å; S1114-E1117 PolarHBondContact N-OE2 3.47Å; S1114-E1117 WeakPolarHBondContact OG-CG 3.32Å; S1114-E1117 PolarHBondContact OG-N 3.37Å; E1117-Q1119 VanDerWaalsContact C-N 3.27Å; E1117-Q1119 PolarHBondContact O-N 3.27Å; E1117-L1120 PolarHBondContact O-N 3.5Å; E1117-M1121 WeakPolarHBondContact O-CB 3.32Å; E1117-M1121 VanDerWaalsContact O-CG 3.25Å; E1117-M1121 WeakPolarHBondContact O-CG 3.5Å; E1117-M1121 PolarHBondContact O-N 2.78Å |
| 1118 | R | 89.1 | Confident | 85.1 | Confident | 51 Ų | 51 | 30.5 Ų | 30.5 | 19% | 0.192 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -30.6 | 175.1 | -68.3 | -179.8 | -74.1 | 160.9 | 4.6 | 111.8 | P1060 L1062 N1109 G1110 F1113 S1114 V1115 G1116 C1122 | P1060-R1118 VanDerWaalsContact CB-C 3.48Å; P1060-R1118 HydrophobicContact CB-CB 3.74Å; P1060-R1118 WeakPolarHBondContact CB-O 3.32Å; P1060-R1118 HydrophobicContact CG-CB 3.81Å; L1062-R1118 HydrophobicContact CD1-CG 3.82Å; L1062-R1118 HydrophobicContact CG-CB 4.43Å; L1062-R1118 HydrophobicContact CG-CG 4.01Å; N1109-R1118 PolarHBondContact O-NH1 3.26Å; G1110-R1118 WeakPolarHBondContact O-CD 3.46Å; F1113-R1118 HydrophobicContact CB-CG 3.65Å; F1113-R1118 PolarHBondContact O-NE 3Å; S1114-R1118 WeakPolarHBondContact O-CB 3.49Å; S1114-R1118 VanDerWaalsContact O-CG 3.25Å; S1114-R1118 WeakPolarHBondContact O-CG 3.45Å; S1114-R1118 PolarHBondContact O-N 2.79Å; S1114-R1118 PolarHBondContact O-NE 3.33Å; V1115-R1118 PolarHBondContact O-N 2.94Å; G1116-R1118 VanDerWaalsContact C-N 3.31Å; G1116-R1118 PolarHBondContact O-N 3.01Å; R1118-C1122 PolarHBondContact O-N 3.44Å; R1118-C1122 VanDerWaalsContact O-N 3.07Å; R1118-C1122 PolarHBondContact O-SG 3.27Å |
| 1119 | Q | 88 | Confident | 85.8 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.5 | -46.2 | 174 | -159.2 | 67.5 | -6.4 | 0 | 0 | 112.1 | P1057 P1060 V1115 G1116 E1117 M1121 C1122 M1123 A1139 I1143 I1151 | P1057-Q1119 PolarHBondContact O-NE2 2.94Å; P1057-Q1119 PolarHBondContact O-OE1 3.33Å; P1060-Q1119 HydrophobicContact CG-CB 4.4Å; V1115-Q1119 PolarHBondContact O-N 3.32Å; G1116-Q1119 CarbonylContact O-C 3.54Å; G1116-Q1119 WeakPolarHBondContact O-CA 3.43Å; G1116-Q1119 WeakPolarHBondContact O-CB 3.41Å; G1116-Q1119 PolarHBondContact O-N 3.04Å; E1117-Q1119 VanDerWaalsContact C-N 3.27Å; E1117-Q1119 PolarHBondContact O-N 3.27Å; Q1119-M1121 VanDerWaalsContact C-N 3.26Å; Q1119-M1121 PolarHBondContact O-N 3.16Å; Q1119-C1122 CarbonylContact O-C 3.54Å; Q1119-C1122 WeakPolarHBondContact O-CA 3.46Å; Q1119-C1122 WeakPolarHBondContact O-CB 3.35Å; Q1119-C1122 PolarHBondContact O-N 3.04Å; Q1119-M1123 PolarHBondContact O-N 3.03Å; Q1119-A1139 WeakPolarHBondContact CG-O 3.27Å; Q1119-A1139 PolarHBondContact NE2-O 3.37Å; Q1119-I1143 HydrophobicContact CB-CD1 3.82Å; Q1119-I1143 HydrophobicContact CG-CD1 3.78Å; Q1119-I1151 HydrophobicContact CB-CD1 4.09Å; Q1119-I1151 HydrophobicContact CG-CD1 3.87Å |
| 1120 | L | 89.3 | Confident | 86.6 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.6 | -39.7 | 172.4 | -64.8 | 174.6 | 0 | 0 | 0 | 111.5 | M1091 G1116 E1117 C1122 M1123 A1124 T1147 I1151 | M1091-L1120 HydrophobicContact CG-CB 3.65Å; M1091-L1120 HydrophobicContact CG-CD1 4.24Å; M1091-L1120 HydrophobicContact SD-CB 3.93Å; M1091-L1120 HydrophobicContact SD-CD1 3.84Å; G1116-L1120 WeakPolarHBondContact O-CG 3.34Å; G1116-L1120 PolarHBondContact O-N 3.39Å; E1117-L1120 PolarHBondContact O-N 3.5Å; L1120-C1122 VanDerWaalsContact C-N 3.31Å; L1120-C1122 PolarHBondContact O-N 3.17Å; L1120-M1123 HydrophobicContact CD2-CE 3.54Å; L1120-M1123 PolarHBondContact O-N 3.06Å; L1120-A1124 PolarHBondContact O-N 2.89Å; L1120-T1147 HydrophobicContact CD1-CG2 4.25Å; L1120-T1147 HydrophobicContact CG-CG2 4.43Å; L1120-I1151 HydrophobicContact CD2-CG1 3.69Å; L1120-I1151 HydrophobicContact CG-CG1 4.47Å |
| 1121 | M | 90.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -29.8 | 171.6 | -76.4 | -68.7 | -69.4 | 0 | 0 | 113.6 | L1062 V1067 L1071 L1086 M1091 I1095 E1117 Q1119 R1125 | L1062-M1121 HydrophobicContact CD2-CB 4.25Å; V1067-M1121 HydrophobicContact CG1-CE 3.86Å; L1071-M1121 HydrophobicContact CD1-CE 4.04Å; L1071-M1121 HydrophobicContact CD2-CE 3.63Å; L1071-M1121 HydrophobicContact CD2-SD 4.15Å; L1071-M1121 HydrophobicContact CG-CE 3.76Å; L1086-M1121 HydrophobicContact CD2-SD 3.88Å; M1091-M1121 HydrophobicContact CE-CG 4.08Å; M1091-M1121 HydrophobicContact CE-SD 4.46Å; M1091-M1121 HydrophobicContact CG-CG 4.42Å; M1091-M1121 HydrophobicContact CG-SD 4.5Å; I1095-M1121 HydrophobicContact CD1-SD 3.78Å; E1117-M1121 WeakPolarHBondContact O-CB 3.32Å; E1117-M1121 VanDerWaalsContact O-CG 3.25Å; E1117-M1121 WeakPolarHBondContact O-CG 3.5Å; E1117-M1121 PolarHBondContact O-N 2.78Å; Q1119-M1121 VanDerWaalsContact C-N 3.26Å; Q1119-M1121 PolarHBondContact O-N 3.16Å; M1121-R1125 PolarHBondContact O-N 3.33Å |
| 1122 | C | 90 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -74.6 | -34.6 | 172.2 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | R1118 Q1119 L1120 A1124 R1125 A1126 | R1118-C1122 PolarHBondContact O-N 3.44Å; R1118-C1122 VanDerWaalsContact O-N 3.07Å; R1118-C1122 PolarHBondContact O-SG 3.27Å; Q1119-C1122 CarbonylContact O-C 3.54Å; Q1119-C1122 WeakPolarHBondContact O-CA 3.46Å; Q1119-C1122 WeakPolarHBondContact O-CB 3.35Å; Q1119-C1122 PolarHBondContact O-N 3.04Å; L1120-C1122 VanDerWaalsContact C-N 3.31Å; L1120-C1122 PolarHBondContact O-N 3.17Å; C1122-A1124 VanDerWaalsContact C-N 3.34Å; C1122-R1125 WeakPolarHBondContact O-CB 3.47Å; C1122-R1125 PolarHBondContact O-N 2.97Å; C1122-R1125 PolarHBondContact SG-NH1 3.44Å; C1122-A1126 PolarHBondContact O-N 3.05Å |
| 1123 | M | 88.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 169.7 | -55.7 | -161.4 | -49 | 0 | 0 | 111.8 | I1056 T1089 Q1119 L1120 R1125 A1126 L1127 I1151 T1154 I1155 | I1056-M1123 HydrophobicContact CD1-CG 4.05Å; T1089-M1123 HydrophobicContact CG2-CB 4.18Å; T1089-M1123 HydrophobicContact CG2-CE 4.39Å; Q1119-M1123 PolarHBondContact O-N 3.03Å; L1120-M1123 HydrophobicContact CD2-CE 3.54Å; L1120-M1123 PolarHBondContact O-N 3.06Å; M1123-R1125 VanDerWaalsContact C-N 3.28Å; M1123-R1125 PolarHBondContact O-N 3.24Å; M1123-A1126 WeakPolarHBondContact O-CB 3.39Å; M1123-A1126 PolarHBondContact O-N 3.14Å; M1123-L1127 WeakPolarHBondContact O-CG 3.49Å; M1123-L1127 PolarHBondContact O-N 3.08Å; M1123-I1151 HydrophobicContact CE-CG1 4.36Å; M1123-I1151 HydrophobicContact SD-CB 4.37Å; M1123-I1151 HydrophobicContact SD-CG1 4.34Å; M1123-I1151 HydrophobicContact SD-CG2 3.92Å; M1123-T1154 VanDerWaalsContact CE-CB 3.42Å; M1123-T1154 HydrophobicContact CE-CG2 3.62Å; M1123-I1155 HydrophobicContact SD-CD1 4.49Å; M1123-I1155 HydrophobicContact SD-CG1 4.13Å |
| 1124 | A | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.5 | -37 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1071 V1085 L1086 T1089 L1120 C1122 L1127 L1128 | L1071-A1124 HydrophobicContact CD2-CB 3.72Å; V1085-A1124 HydrophobicContact CG1-CB 3.88Å; L1086-A1124 HydrophobicContact CD2-CB 4.15Å; T1089-A1124 HydrophobicContact CG2-CB 4.04Å; L1120-A1124 PolarHBondContact O-N 2.89Å; C1122-A1124 VanDerWaalsContact C-N 3.34Å; A1124-L1127 PolarHBondContact O-N 2.9Å; A1124-L1128 WeakPolarHBondContact O-CG 3.34Å; A1124-L1128 PolarHBondContact O-N 3.2Å |
| 1125 | R | 91.4 | Very high | 89.2 | Confident | 6 Ų | 6 | 22.6 Ų | 22.6 | 2% | 0.023 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 171.7 | -65.8 | 167.5 | 175 | 163.2 | -10.9 | 112.7 | W192 V1061 N1070 L1071 M1121 C1122 M1123 R1129 | W192-R1125 HydrophobicContact CH2-CG 4.48Å; V1061-R1125 PolarHBondContact O-NH1 3.1Å; V1061-R1125 PolarHBondContact O-NH2 2.92Å; N1070-R1125 PolarHBondContact O-NE 3.46Å; N1070-R1125 PolarHBondContact O-NH2 2.86Å; N1070-R1125 PolarHBondContact OD1-NH2 3.47Å; L1071-R1125 HydrophobicContact CD2-CG 4.24Å; M1121-R1125 PolarHBondContact O-N 3.33Å; C1122-R1125 WeakPolarHBondContact O-CB 3.47Å; C1122-R1125 PolarHBondContact O-N 2.97Å; C1122-R1125 PolarHBondContact SG-NH1 3.44Å; M1123-R1125 VanDerWaalsContact C-N 3.28Å; M1123-R1125 PolarHBondContact O-N 3.24Å; R1125-R1129 WeakPolarHBondContact O-CG 3.3Å; R1125-R1129 PolarHBondContact O-N 3.27Å |
| 1126 | A | 90 | Very high | 89.7 | Confident | 3 Ų | 3 | 20 Ų | 20 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.1 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1056 C1122 M1123 R1129 N1130 F1159 | I1056-A1126 HydrophobicContact CD1-CB 4.19Å; I1056-A1126 HydrophobicContact CG1-CB 4.11Å; C1122-A1126 PolarHBondContact O-N 3.05Å; M1123-A1126 WeakPolarHBondContact O-CB 3.39Å; M1123-A1126 PolarHBondContact O-N 3.14Å; A1126-R1129 WeakPolarHBondContact O-CB 3.4Å; A1126-R1129 PolarHBondContact O-N 2.77Å; A1126-N1130 PolarHBondContact O-N 2.84Å; A1126-F1159 HydrophobicContact CB-CE1 4.44Å; A1126-F1159 HydrophobicContact CB-CZ 3.98Å |
| 1127 | L | 90.6 | Very high | 90 | Very high | 25 Ų | 25 | 20.4 Ų | 20.4 | 13% | 0.131 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66 | -44.6 | 176.1 | -74.1 | 168.3 | 0 | 0 | 0 | 112.7 | V1085 K1088 T1089 M1123 A1124 R1129 N1130 T1154 A1158 F1159 | V1085-L1127 HydrophobicContact CG1-CB 3.6Å; V1085-L1127 HydrophobicContact CG1-CD1 4.05Å; V1085-L1127 HydrophobicContact CG1-CG 4.49Å; V1085-L1127 HydrophobicContact CG2-CB 4.32Å; K1088-L1127 HydrophobicContact CB-CD1 4.49Å; T1089-L1127 HydrophobicContact CG2-CD1 3.55Å; M1123-L1127 WeakPolarHBondContact O-CG 3.49Å; M1123-L1127 PolarHBondContact O-N 3.08Å; A1124-L1127 PolarHBondContact O-N 2.9Å; L1127-R1129 PolarHBondContact O-N 3.43Å; L1127-N1130 PolarHBondContact O-N 3.04Å; L1127-N1130 VanDerWaalsContact O-N 3.15Å; L1127-T1154 HydrophobicContact CD1-CG2 4.35Å; L1127-A1158 HydrophobicContact CD1-CB 4.41Å; L1127-A1158 HydrophobicContact CD2-CB 3.54Å; L1127-F1159 HydrophobicContact CD2-CD1 3.95Å; L1127-F1159 HydrophobicContact CD2-CE1 3.32Å; L1127-F1159 HydrophobicContact CD2-CZ 3.71Å; L1127-F1159 HydrophobicContact CG-CE1 3.76Å; L1127-F1159 HydrophobicContact CG-CZ 3.71Å |
| 1128 | L | 91.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 19.3 Ų | 19.3 | 7% | 0.068 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.5 | -37.6 | 174.9 | -77.2 | 165.9 | 0 | 0 | 0 | 112 | L1071 Y1077 I1082 V1085 A1124 N1130 | L1071-L1128 HydrophobicContact CB-CD1 3.89Å; Y1077-L1128 HydrophobicContact CD1-CD2 4.18Å; Y1077-L1128 VanDerWaalsContact CE1-O 3.23Å; Y1077-L1128 WeakPolarHBondContact CE1-O 3.18Å; Y1077-L1128 HydrophobicContact CE2-CB 4.41Å; Y1077-L1128 HydrophobicContact CG-CD2 4.14Å; Y1077-L1128 PolarHBondContact OH-O 3.5Å; I1082-L1128 HydrophobicContact CG1-CD1 4.24Å; I1082-L1128 HydrophobicContact CG1-CD2 4.06Å; V1085-L1128 HydrophobicContact CB-CD2 4.34Å; V1085-L1128 HydrophobicContact CB-CG 4.3Å; V1085-L1128 HydrophobicContact CG1-CG 4.25Å; V1085-L1128 HydrophobicContact CG2-CD2 3.87Å; V1085-L1128 HydrophobicContact CG2-CG 4.08Å; A1124-L1128 WeakPolarHBondContact O-CG 3.34Å; A1124-L1128 PolarHBondContact O-N 3.2Å; L1128-N1130 VanDerWaalsContact C-N 3.32Å; L1128-N1130 PolarHBondContact O-N 3.36Å |
| 1129 | R | 87.6 | Confident | 88.5 | Confident | 48 Ų | 48 | 17.3 Ų | 17.3 | 18% | 0.181 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66 | -28.6 | 178.1 | -79.6 | -179.7 | 168.1 | -121.8 | -18.6 | 114.7 | Y190 R1050 L1053 S1054 R1125 A1126 L1127 S1131 | Y190-R1129 PolarHBondContact O-NH2 2.84Å; R1050-R1129 PolarHBondContact O-NH1 2.89Å; L1053-R1129 PolarHBondContact O-NH1 3.46Å; S1054-R1129 WeakPolarHBondContact OG-CB 3.07Å; S1054-R1129 WeakPolarHBondContact OG-CD 3.3Å; R1125-R1129 WeakPolarHBondContact O-CG 3.3Å; R1125-R1129 PolarHBondContact O-N 3.27Å; A1126-R1129 WeakPolarHBondContact O-CB 3.4Å; A1126-R1129 PolarHBondContact O-N 2.77Å; L1127-R1129 PolarHBondContact O-N 3.43Å; R1129-S1131 VanDerWaalsContact C-N 3.3Å; R1129-S1131 PolarHBondContact O-N 2.98Å |
| 1130 | N | 86.8 | Confident | 87.5 | Confident | 134 Ų | 134 | 17.8 Ų | 17.8 | 72% | 0.717 | 9% | 0.089 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 50.3 | -174.9 | -165.1 | 14.6 | 0 | 0 | 0 | 113.2 | A1126 L1127 L1128 | A1126-N1130 PolarHBondContact O-N 2.84Å; L1127-N1130 PolarHBondContact O-N 3.04Å; L1127-N1130 VanDerWaalsContact O-N 3.15Å; L1128-N1130 VanDerWaalsContact C-N 3.32Å; L1128-N1130 PolarHBondContact O-N 3.36Å |
| 1131 | S | 89.1 | Confident | 86.1 | Confident | 7 Ų | 7 | 19 Ų | 19 | 5% | 0.049 | 10% | 0.101 | C | C | . | . | trans | -87.2 | 127.6 | -177.8 | 52.4 | 0 | 0 | 0 | 0 | 112 | K1052 S1054 R1129 I1133 | K1052-S1131 WeakPolarHBondContact O-CB 3.32Å; S1054-S1131 WeakPolarHBondContact CB-OG 3.47Å; S1054-S1131 WeakPolarHBondContact OG-CB 3.23Å; S1054-S1131 PolarHBondContact OG-OG 3.09Å; R1129-S1131 VanDerWaalsContact C-N 3.3Å; R1129-S1131 PolarHBondContact O-N 2.98Å; S1131-I1133 PolarHBondContact O-N 3.44Å | ||
| 1132 | K | 91.1 | Very high | 84.6 | Confident | 61 Ų | 61 | 24.2 Ų | 24.2 | 27% | 0.265 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -66.4 | -13 | 177.4 | -77.9 | -60.1 | -162.6 | -177.5 | 0 | 115.6 | D1161 T1163 | K1132-D1161 WeakPolarHBondContact CD-O 3.49Å; K1132-D1161 PolarHBondContact NZ-O 3.11Å; K1132-D1161 IonicContact NZ-OD2 2.76Å; K1132-D1161 PolarHBondContact NZ-OD2 3.3Å; K1132-T1163 PolarHBondContact O-N 3.24Å |
| 1133 | I | 93.9 | Very high | 83.7 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.5 | 174.7 | -63.1 | 164.2 | 0 | 0 | 0 | 109.3 | I976 L1023 I1036 L1053 S1054 S1131 T1163 L1165 | I976-I1133 HydrophobicContact CD1-CD1 3.94Å; I976-I1133 HydrophobicContact CD1-CG1 4.2Å; I976-I1133 HydrophobicContact CD1-CG2 3.83Å; I976-I1133 HydrophobicContact CG1-CD1 3.9Å; L1023-I1133 HydrophobicContact CD2-CG2 4.43Å; I1036-I1133 HydrophobicContact CD1-CD1 4.24Å; I1036-I1133 HydrophobicContact CG2-CD1 3.59Å; L1053-I1133 HydrophobicContact CD2-CB 3.73Å; L1053-I1133 HydrophobicContact CD2-CD1 3.99Å; L1053-I1133 HydrophobicContact CD2-CG1 4.46Å; L1053-I1133 HydrophobicContact CD2-CG2 3.84Å; S1054-I1133 PolarHBondContact N-O 3.15Å; S1131-I1133 PolarHBondContact O-N 3.44Å; I1133-T1163 WeakPolarHBondContact CA-O 3.49Å; I1133-L1165 HydrophobicContact CG2-CD1 4.48Å |
| 1134 | I | 93.3 | Very high | 82.8 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.6 | -176.6 | -56.4 | -179.7 | 0 | 0 | 0 | 110.2 | I1056 F1159 C1162 T1163 L1165 | I1056-I1134 HydrophobicContact CD1-CG2 4.49Å; I1134-F1159 HydrophobicContact CD1-CB 4.18Å; I1134-F1159 HydrophobicContact CD1-CD1 3.2Å; I1134-F1159 HydrophobicContact CD1-CD2 4.27Å; I1134-F1159 HydrophobicContact CD1-CE1 3.46Å; I1134-F1159 VanDerWaalsContact CD1-CE1 3.46Å; I1134-F1159 HydrophobicContact CD1-CE2 4.5Å; I1134-F1159 HydrophobicContact CD1-CG 3.65Å; I1134-F1159 HydrophobicContact CD1-CZ 4.13Å; I1134-C1162 HydrophobicContact CD1-CB 4.09Å; I1134-C1162 HydrophobicContact CG1-CB 4.43Å; I1134-T1163 PolarHBondContact N-O 3.2Å; I1134-L1165 PolarHBondContact O-N 3.12Å |
| 1135 | L | 92.9 | Very high | 81.6 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.5 | 172.2 | 179.9 | 65.7 | 0 | 0 | 0 | 110.4 | F1024 S1054 I1055 I1056 L1165 I1167 | F1024-L1135 HydrophobicContact CD2-CD2 4.34Å; F1024-L1135 HydrophobicContact CE2-CB 4.21Å; F1024-L1135 HydrophobicContact CE2-CD2 3.94Å; S1054-L1135 PolarHBondContact O-N 3.47Å; I1055-L1135 CarbonylContact C-O 3.57Å; I1055-L1135 VanDerWaalsContact CA-O 3.29Å; I1055-L1135 WeakPolarHBondContact CA-O 3.31Å; I1055-L1135 HydrophobicContact CB-CB 4.49Å; I1055-L1135 HydrophobicContact CD1-CD2 3.92Å; I1055-L1135 HydrophobicContact CD1-CG 4.49Å; I1055-L1135 HydrophobicContact CG1-CB 4.28Å; I1055-L1135 HydrophobicContact CG1-CD2 4.23Å; I1055-L1135 HydrophobicContact CG1-CG 4.32Å; I1056-L1135 PolarHBondContact N-O 3.05Å; L1135-L1165 WeakPolarHBondContact CA-O 3.39Å; L1135-L1165 HydrophobicContact CD1-CB 3.79Å; L1135-I1167 HydrophobicContact CD1-CD1 4.07Å; L1135-I1167 HydrophobicContact CD1-CG1 4.34Å |
| 1136 | L | 90.1 | Very high | 80.6 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 110.7 | 168.3 | -70.8 | 146.4 | 0 | 0 | 0 | 107.7 | I1056 A1139 I1155 M1164 L1165 T1166 I1167 | I1056-L1136 HydrophobicContact CB-CD2 3.94Å; I1056-L1136 HydrophobicContact CD1-CD2 3.72Å; I1056-L1136 HydrophobicContact CG1-CD2 4.43Å; I1056-L1136 HydrophobicContact CG2-CD2 4.09Å; L1136-A1139 HydrophobicContact CB-CB 4.4Å; L1136-A1139 HydrophobicContact CD2-CB 3.56Å; L1136-I1155 HydrophobicContact CD1-CD1 4.41Å; L1136-I1155 HydrophobicContact CD2-CD1 3.88Å; L1136-M1164 HydrophobicContact CD1-CG 3.73Å; L1136-M1164 HydrophobicContact CD1-SD 3.59Å; L1136-M1164 VanDerWaalsContact CD1-SD 3.59Å; L1136-L1165 PolarHBondContact N-O 3.49Å; L1136-T1166 HydrophobicContact CB-CG2 4.29Å; L1136-T1166 WeakPolarHBondContact CD1-OG1 3.46Å; L1136-I1167 PolarHBondContact O-N 3.36Å |
| 1137 | D | 86.8 | Confident | 79.9 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 84.8 | 178.2 | -157.9 | 16.4 | 0 | 0 | 0 | 106.6 | K185 I1056 P1057 Q1058 A1139 | K185-D1137 IonicContact NZ-OD2 3.78Å; K185-D1137 PolarHBondContact NZ-OD2 3.29Å; I1056-D1137 PolarHBondContact O-N 3.17Å; P1057-D1137 CarbonylContact C-O 3.57Å; Q1058-D1137 WeakPolarHBondContact CA-O 3.37Å; Q1058-D1137 VanDerWaalsContact CB-O 3.31Å; Q1058-D1137 WeakPolarHBondContact CB-O 3.47Å; Q1058-D1137 PolarHBondContact N-O 3.19Å; D1137-A1139 PolarHBondContact O-N 3.13Å |
| 1138 | E | 78 | Confident | 79.3 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 55.5 | 43.4 | 178.6 | -66.8 | 174.4 | -133.2 | 0 | 0 | 116 | Q1058 T1140 A1141 I1167 H1169 | Q1058-E1138 HydrophobicContact CB-CB 4.26Å; Q1058-E1138 HydrophobicContact CG-CB 3.94Å; Q1058-E1138 PolarHBondContact NE2-OE2 2.99Å; E1138-T1140 PolarHBondContact O-N 3.12Å; E1138-A1141 PolarHBondContact O-N 3.35Å; E1138-I1167 WeakPolarHBondContact CA-O 3.49Å; E1138-I1167 HydrophobicContact CG-CG2 4.33Å; E1138-I1167 PolarHBondContact N-O 3.49Å; E1138-H1169 IonicContact OE1-CD2 3.6Å; E1138-H1169 PolarHBondContact OE1-CD2 3.47Å; E1138-H1169 VanDerWaalsContact OE1-CD2 3.24Å; E1138-H1169 IonicContact OE2-CD2 2.73Å |
| 1139 | A | 66.6 | Low | 78.7 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -0.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | I1056 Q1119 L1136 D1137 | I1056-A1139 HydrophobicContact CG2-CB 3.71Å; Q1119-A1139 WeakPolarHBondContact CG-O 3.27Å; Q1119-A1139 PolarHBondContact NE2-O 3.37Å; L1136-A1139 HydrophobicContact CB-CB 4.4Å; L1136-A1139 HydrophobicContact CD2-CB 3.56Å; D1137-A1139 PolarHBondContact O-N 3.13Å |
| 1140 | T | 68 | Low | 78.4 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 9.1 | -177.8 | 68.2 | 0 | 0 | 0 | 0 | 113.6 | E1138 D1148 I1151 R1170 | E1138-T1140 PolarHBondContact O-N 3.12Å; T1140-D1148 WeakPolarHBondContact CB-OD1 3.36Å; T1140-D1148 WeakPolarHBondContact CB-OD2 3.22Å; T1140-D1148 WeakPolarHBondContact CG2-OD1 3.22Å; T1140-I1151 HydrophobicContact CG2-CG2 4.09Å; T1140-R1170 PolarHBondContact O-NH1 3.4Å |
| 1141 | A | 59 | Low | 78.2 | Confident | 34 Ų | 34 | 35.4 Ų | 35.4 | 28% | 0.281 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 134.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1058 E1138 I1143 | Q1058-A1141 HydrophobicContact CG-CB 4.44Å; E1138-A1141 PolarHBondContact O-N 3.35Å; A1141-I1143 VanDerWaalsContact C-N 3.26Å; A1141-I1143 PolarHBondContact O-N 2.66Å |
| 1142 | S | 59.1 | Low | 77.9 | Confident | 111 Ų | 111 | 37 Ų | 37 | 78% | 0.776 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 26.1 | 178 | -51.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1143 | I | 70.8 | Confident | 77.5 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | trans | -105.1 | 149.1 | 172.5 | -56.1 | -179.5 | 0 | 0 | 0 | 109.5 | V1115 Q1119 A1141 T1147 I1151 | V1115-I1143 HydrophobicContact CG1-CG1 4.07Å; Q1119-I1143 HydrophobicContact CB-CD1 3.82Å; Q1119-I1143 HydrophobicContact CG-CD1 3.78Å; A1141-I1143 VanDerWaalsContact C-N 3.26Å; A1141-I1143 PolarHBondContact O-N 2.66Å; I1143-T1147 HydrophobicContact CG2-CG2 4.04Å; I1143-I1151 HydrophobicContact CD1-CD1 3.57Å; I1143-I1151 HydrophobicContact CG2-CD1 4.39Å | ||
| 1144 | D | 69.7 | Low | 77.1 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | trans | -66.3 | 150.7 | 171.3 | 50.9 | -77.6 | 0 | 0 | 0 | 112.8 | E1146 T1147 D1148 | D1144-E1146 VanDerWaalsContact C-N 3.3Å; D1144-E1146 PolarHBondContact O-N 3.14Å; D1144-T1147 PolarHBondContact O-N 3.27Å; D1144-T1147 PolarHBondContact OD1-OG1 2.98Å; D1144-T1147 WeakPolarHBondContact OD2-CB 3.44Å; D1144-T1147 PolarHBondContact OD2-N 3.49Å; D1144-T1147 PolarHBondContact OD2-OG1 3.5Å; D1144-D1148 WeakPolarHBondContact O-CB 3.44Å; D1144-D1148 PolarHBondContact O-N 3.49Å | ||
| 1145 | S | 67.1 | Low | 76.7 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 50% | 0.497 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.2 | -27.7 | -174.7 | 30.1 | 0 | 0 | 0 | 0 | 114 | E539 A1149 | E539-S1145 VanDerWaalsContact OE1-CB 3.29Å; E539-S1145 WeakPolarHBondContact OE1-CB 3.43Å; E539-S1145 PolarHBondContact OE1-OG 2.96Å; S1145-A1149 PolarHBondContact O-N 2.84Å; S1145-A1149 VanDerWaalsContact O-N 3.09Å |
| 1146 | E | 70.8 | Confident | 76.2 | Confident | 159 Ų | 159 | 43.8 Ų | 43.8 | 74% | 0.743 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64 | -49.3 | 172.4 | -172.3 | 176.6 | 178.3 | 0 | 0 | 111.5 | D1144 A1149 L1150 | D1144-E1146 VanDerWaalsContact C-N 3.3Å; D1144-E1146 PolarHBondContact O-N 3.14Å; E1146-A1149 PolarHBondContact O-N 3.25Å; E1146-L1150 PolarHBondContact O-N 3.25Å |
| 1147 | T | 75.8 | Confident | 76 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.6 | -28.6 | 178.5 | -49.6 | 0 | 0 | 0 | 0 | 113.2 | L1120 I1143 D1144 L1150 I1151 | L1120-T1147 HydrophobicContact CD1-CG2 4.25Å; L1120-T1147 HydrophobicContact CG-CG2 4.43Å; I1143-T1147 HydrophobicContact CG2-CG2 4.04Å; D1144-T1147 PolarHBondContact O-N 3.27Å; D1144-T1147 PolarHBondContact OD1-OG1 2.98Å; D1144-T1147 WeakPolarHBondContact OD2-CB 3.44Å; D1144-T1147 PolarHBondContact OD2-N 3.49Å; D1144-T1147 PolarHBondContact OD2-OG1 3.5Å; T1147-L1150 PolarHBondContact O-N 3.39Å; T1147-I1151 HydrophobicContact CG2-CD1 4.23Å; T1147-I1151 WeakPolarHBondContact O-CG1 3.39Å; T1147-I1151 PolarHBondContact O-N 3.39Å |
| 1148 | D | 77.8 | Confident | 75.8 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 170.6 | -161.7 | -15.9 | 0 | 0 | 0 | 109.9 | T1140 D1144 L1150 I1151 Q1152 R1170 | T1140-D1148 WeakPolarHBondContact CB-OD1 3.36Å; T1140-D1148 WeakPolarHBondContact CB-OD2 3.22Å; T1140-D1148 WeakPolarHBondContact CG2-OD1 3.22Å; D1144-D1148 WeakPolarHBondContact O-CB 3.44Å; D1144-D1148 PolarHBondContact O-N 3.49Å; D1148-L1150 PolarHBondContact O-N 3.44Å; D1148-I1151 WeakPolarHBondContact O-CA 3.44Å; D1148-I1151 WeakPolarHBondContact O-CB 3.36Å; D1148-I1151 PolarHBondContact O-N 3.23Å; D1148-Q1152 WeakPolarHBondContact O-CG 3.47Å; D1148-Q1152 PolarHBondContact O-N 2.92Å; D1148-Q1152 PolarHBondContact OD1-NE2 3.48Å; D1148-R1170 IonicContact OD2-NH1 2.84Å; D1148-R1170 PolarHBondContact OD2-NH1 3.16Å |
| 1149 | A | 79.6 | Confident | 76.1 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1145 E1146 I1151 Q1152 N1153 | S1145-A1149 PolarHBondContact O-N 2.84Å; S1145-A1149 VanDerWaalsContact O-N 3.09Å; E1146-A1149 PolarHBondContact O-N 3.25Å; A1149-I1151 VanDerWaalsContact C-N 3.34Å; A1149-I1151 PolarHBondContact O-N 3.39Å; A1149-Q1152 PolarHBondContact O-N 3.1Å; A1149-N1153 WeakPolarHBondContact O-CB 3.33Å; A1149-N1153 VanDerWaalsContact O-CG 3.23Å; A1149-N1153 PolarHBondContact O-N 3.03Å; A1149-N1153 PolarHBondContact O-ND2 2.74Å |
| 1150 | L | 80.7 | Confident | 76.9 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 174.2 | -65.4 | 176.4 | 0 | 0 | 0 | 112.5 | Y1090 E1146 T1147 D1148 T1154 | Y1090-L1150 HydrophobicContact CD2-CB 4.22Å; Y1090-L1150 HydrophobicContact CD2-CD2 4.01Å; Y1090-L1150 HydrophobicContact CE2-CB 4.43Å; Y1090-L1150 HydrophobicContact CE2-CD2 4Å; Y1090-L1150 HydrophobicContact CG-CD2 4.28Å; E1146-L1150 PolarHBondContact O-N 3.25Å; T1147-L1150 PolarHBondContact O-N 3.39Å; D1148-L1150 PolarHBondContact O-N 3.44Å; L1150-T1154 PolarHBondContact O-N 2.98Å; L1150-T1154 VanDerWaalsContact O-N 3.09Å; L1150-T1154 PolarHBondContact O-OG1 2.94Å |
| 1151 | I | 82.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -50.6 | 175.1 | -72.1 | 163.2 | 0 | 0 | 0 | 110.3 | Q1119 L1120 M1123 T1140 I1143 T1147 D1148 A1149 N1153 T1154 I1155 | Q1119-I1151 HydrophobicContact CB-CD1 4.09Å; Q1119-I1151 HydrophobicContact CG-CD1 3.87Å; L1120-I1151 HydrophobicContact CD2-CG1 3.69Å; L1120-I1151 HydrophobicContact CG-CG1 4.47Å; M1123-I1151 HydrophobicContact CE-CG1 4.36Å; M1123-I1151 HydrophobicContact SD-CB 4.37Å; M1123-I1151 HydrophobicContact SD-CG1 4.34Å; M1123-I1151 HydrophobicContact SD-CG2 3.92Å; T1140-I1151 HydrophobicContact CG2-CG2 4.09Å; I1143-I1151 HydrophobicContact CD1-CD1 3.57Å; I1143-I1151 HydrophobicContact CG2-CD1 4.39Å; T1147-I1151 HydrophobicContact CG2-CD1 4.23Å; T1147-I1151 WeakPolarHBondContact O-CG1 3.39Å; T1147-I1151 PolarHBondContact O-N 3.39Å; D1148-I1151 WeakPolarHBondContact O-CA 3.44Å; D1148-I1151 WeakPolarHBondContact O-CB 3.36Å; D1148-I1151 PolarHBondContact O-N 3.23Å; A1149-I1151 VanDerWaalsContact C-N 3.34Å; A1149-I1151 PolarHBondContact O-N 3.39Å; I1151-N1153 PolarHBondContact O-N 2.94Å; I1151-T1154 PolarHBondContact O-N 3.05Å; I1151-I1155 HydrophobicContact CG2-CD1 3.69Å; I1151-I1155 HydrophobicContact CG2-CG1 4.5Å; I1151-I1155 VanDerWaalsContact O-CG1 3.29Å; I1151-I1155 WeakPolarHBondContact O-CG1 3.22Å; I1151-I1155 PolarHBondContact O-N 3.21Å |
| 1152 | Q | 81.3 | Confident | 79.3 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 19% | 0.192 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | 178.8 | -63.8 | -58.2 | -22.9 | 0 | 0 | 112.4 | D1148 A1149 I1155 K1156 | D1148-Q1152 WeakPolarHBondContact O-CG 3.47Å; D1148-Q1152 PolarHBondContact O-N 2.92Å; D1148-Q1152 PolarHBondContact OD1-NE2 3.48Å; A1149-Q1152 PolarHBondContact O-N 3.1Å; Q1152-I1155 PolarHBondContact O-N 2.77Å; Q1152-K1156 WeakPolarHBondContact O-CG 3.48Å; Q1152-K1156 PolarHBondContact O-N 3.49Å |
| 1153 | N | 84.4 | Confident | 80.9 | Confident | 72 Ų | 72 | 52.9 Ų | 52.9 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 178.5 | -71 | -16.9 | 0 | 0 | 0 | 111.3 | A1149 I1151 I1155 K1156 E1157 | A1149-N1153 WeakPolarHBondContact O-CB 3.33Å; A1149-N1153 VanDerWaalsContact O-CG 3.23Å; A1149-N1153 PolarHBondContact O-N 3.03Å; A1149-N1153 PolarHBondContact O-ND2 2.74Å; I1151-N1153 PolarHBondContact O-N 2.94Å; N1153-I1155 VanDerWaalsContact C-N 3.3Å; N1153-I1155 PolarHBondContact O-N 3.25Å; N1153-K1156 PolarHBondContact O-N 3.23Å; N1153-E1157 PolarHBondContact O-N 3.44Å |
| 1154 | T | 85.5 | Confident | 81.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 175.8 | -46.3 | 0 | 0 | 0 | 0 | 111.9 | K1088 T1089 M1123 L1127 L1150 I1151 A1158 | K1088-T1154 WeakPolarHBondContact O-CG2 3.27Å; T1089-T1154 HydrophobicContact CG2-CG2 4.27Å; M1123-T1154 VanDerWaalsContact CE-CB 3.42Å; M1123-T1154 HydrophobicContact CE-CG2 3.62Å; L1127-T1154 HydrophobicContact CD1-CG2 4.35Å; L1150-T1154 PolarHBondContact O-N 2.98Å; L1150-T1154 VanDerWaalsContact O-N 3.09Å; L1150-T1154 PolarHBondContact O-OG1 2.94Å; I1151-T1154 PolarHBondContact O-N 3.05Å; T1154-A1158 HydrophobicContact CG2-CB 4.3Å; T1154-A1158 WeakPolarHBondContact O-CB 3.38Å; T1154-A1158 PolarHBondContact O-N 3.34Å |
| 1155 | I | 84.7 | Confident | 83 | Confident | 18 Ų | 18 | 49 Ų | 49 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 176.7 | -70.8 | 168.2 | 0 | 0 | 0 | 110.9 | M1123 L1136 I1151 Q1152 N1153 F1159 M1164 | M1123-I1155 HydrophobicContact SD-CD1 4.49Å; M1123-I1155 HydrophobicContact SD-CG1 4.13Å; L1136-I1155 HydrophobicContact CD1-CD1 4.41Å; L1136-I1155 HydrophobicContact CD2-CD1 3.88Å; I1151-I1155 HydrophobicContact CG2-CD1 3.69Å; I1151-I1155 HydrophobicContact CG2-CG1 4.5Å; I1151-I1155 VanDerWaalsContact O-CG1 3.29Å; I1151-I1155 WeakPolarHBondContact O-CG1 3.22Å; I1151-I1155 PolarHBondContact O-N 3.21Å; Q1152-I1155 PolarHBondContact O-N 2.77Å; N1153-I1155 VanDerWaalsContact C-N 3.3Å; N1153-I1155 PolarHBondContact O-N 3.25Å; I1155-F1159 HydrophobicContact CB-CD2 4.5Å; I1155-F1159 HydrophobicContact CG1-CD2 4.3Å; I1155-F1159 HydrophobicContact CG1-CE2 4.48Å; I1155-F1159 PolarHBondContact O-N 3.12Å; I1155-M1164 HydrophobicContact CG2-CE 3.76Å; I1155-M1164 HydrophobicContact CG2-SD 3.88Å |
| 1156 | K | 82.6 | Confident | 84.2 | Confident | 116 Ų | 116 | 46.8 Ų | 46.8 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -48.4 | 178 | -73.4 | 175.5 | 179.6 | -179.1 | 0 | 112.1 | Q1152 N1153 | Q1152-K1156 WeakPolarHBondContact O-CG 3.48Å; Q1152-K1156 PolarHBondContact O-N 3.49Å; N1153-K1156 PolarHBondContact O-N 3.23Å |
| 1157 | E | 84.5 | Confident | 85 | Confident | 130 Ų | 130 | 39.3 Ų | 39.3 | 61% | 0.607 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -71.1 | -50.8 | -178.5 | -70.1 | -176 | -173.3 | 0 | 0 | 112.9 | N1153 H1160 | N1153-E1157 PolarHBondContact O-N 3.44Å; E1157-H1160 PolarHBondContact O-ND1 3.11Å |
| 1158 | A | 83.3 | Confident | 85 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 24% | 0.24 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -94.8 | -11.8 | -159.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1127 T1154 | L1127-A1158 HydrophobicContact CD1-CB 4.41Å; L1127-A1158 HydrophobicContact CD2-CB 3.54Å; T1154-A1158 HydrophobicContact CG2-CB 4.3Å; T1154-A1158 WeakPolarHBondContact O-CB 3.38Å; T1154-A1158 PolarHBondContact O-N 3.34Å |
| 1159 | F | 84.6 | Confident | 84.6 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -122.5 | 16 | -179.7 | -58.8 | -51.1 | 0 | 0 | 0 | 114.4 | I1056 A1126 L1127 I1134 I1155 D1161 C1162 M1164 | I1056-F1159 HydrophobicContact CD1-CE2 4.12Å; I1056-F1159 HydrophobicContact CD1-CZ 4.43Å; A1126-F1159 HydrophobicContact CB-CE1 4.44Å; A1126-F1159 HydrophobicContact CB-CZ 3.98Å; L1127-F1159 HydrophobicContact CD2-CD1 3.95Å; L1127-F1159 HydrophobicContact CD2-CE1 3.32Å; L1127-F1159 HydrophobicContact CD2-CZ 3.71Å; L1127-F1159 HydrophobicContact CG-CE1 3.76Å; L1127-F1159 HydrophobicContact CG-CZ 3.71Å; I1134-F1159 HydrophobicContact CD1-CB 4.18Å; I1134-F1159 HydrophobicContact CD1-CD1 3.2Å; I1134-F1159 HydrophobicContact CD1-CD2 4.27Å; I1134-F1159 HydrophobicContact CD1-CE1 3.46Å; I1134-F1159 VanDerWaalsContact CD1-CE1 3.46Å; I1134-F1159 HydrophobicContact CD1-CE2 4.5Å; I1134-F1159 HydrophobicContact CD1-CG 3.65Å; I1134-F1159 HydrophobicContact CD1-CZ 4.13Å; I1155-F1159 HydrophobicContact CB-CD2 4.5Å; I1155-F1159 HydrophobicContact CG1-CD2 4.3Å; I1155-F1159 HydrophobicContact CG1-CE2 4.48Å; I1155-F1159 PolarHBondContact O-N 3.12Å; F1159-D1161 PolarHBondContact O-N 3.39Å; F1159-C1162 PolarHBondContact O-N 3.06Å; F1159-M1164 HydrophobicContact CB-CE 3.5Å; F1159-M1164 VanDerWaalsContact CB-CE 3.5Å; F1159-M1164 HydrophobicContact CD2-CE 4.38Å; F1159-M1164 HydrophobicContact CG-CE 4.35Å |
| 1160 | H | 83.4 | Confident | 84 | Confident | 125 Ų | 125 | 45.3 Ų | 45.3 | 58% | 0.579 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -29.3 | -179.7 | 71.3 | -90.8 | 0 | 0 | 0 | 114.1 | E1157 | E1157-H1160 PolarHBondContact O-ND1 3.11Š|
| 1161 | D | 85.9 | Confident | 83.6 | Confident | 99 Ų | 99 | 44 Ų | 44 | 53% | 0.529 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 16 | -171 | -142.3 | 41 | 0 | 0 | 0 | 113 | K1132 F1159 | K1132-D1161 WeakPolarHBondContact CD-O 3.49Å; K1132-D1161 PolarHBondContact NZ-O 3.11Å; K1132-D1161 IonicContact NZ-OD2 2.76Å; K1132-D1161 PolarHBondContact NZ-OD2 3.3Å; F1159-D1161 PolarHBondContact O-N 3.39Å |
| 1162 | C | 90.4 | Very high | 83.1 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 5% | 0.054 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -131 | 138.6 | -169.1 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | I1134 F1159 M1164 | I1134-C1162 HydrophobicContact CD1-CB 4.09Å; I1134-C1162 HydrophobicContact CG1-CB 4.43Å; F1159-C1162 PolarHBondContact O-N 3.06Å; C1162-M1164 PolarHBondContact O-N 3.33Å |
| 1163 | T | 93.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 124.8 | 169.7 | -47.5 | 0 | 0 | 0 | 0 | 109.3 | G974 I976 I1000 G1003 K1132 I1133 I1134 L1165 | G974-T1163 WeakPolarHBondContact O-CB 3.34Å; G974-T1163 PolarHBondContact O-OG1 3.12Å; I976-T1163 HydrophobicContact CD1-CG2 4.44Å; I1000-T1163 HydrophobicContact CG2-CG2 3.69Å; G1003-T1163 PolarHBondContact N-OG1 3.02Å; K1132-T1163 PolarHBondContact O-N 3.24Å; I1133-T1163 WeakPolarHBondContact CA-O 3.49Å; I1134-T1163 PolarHBondContact N-O 3.2Å; T1163-L1165 HydrophobicContact CG2-CD1 4.35Å |
| 1164 | M | 92.1 | Very high | 82.5 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 4% | 0.044 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.3 | -167.6 | -172.5 | -179.6 | -64.6 | 0 | 0 | 110.7 | E1004 K1005 L1006 L1136 I1155 F1159 C1162 | E1004-M1164 PolarHBondContact O-N 3Å; K1005-M1164 CarbonylContact C-O 3.32Å; K1005-M1164 WeakPolarHBondContact CA-O 3.13Å; K1005-M1164 HydrophobicContact CG-CB 4.17Å; L1006-M1164 PolarHBondContact N-O 3.24Å; L1136-M1164 HydrophobicContact CD1-CG 3.73Å; L1136-M1164 HydrophobicContact CD1-SD 3.59Å; L1136-M1164 VanDerWaalsContact CD1-SD 3.59Å; I1155-M1164 HydrophobicContact CG2-CE 3.76Å; I1155-M1164 HydrophobicContact CG2-SD 3.88Å; F1159-M1164 HydrophobicContact CB-CE 3.5Å; F1159-M1164 VanDerWaalsContact CB-CE 3.5Å; F1159-M1164 HydrophobicContact CD2-CE 4.38Å; F1159-M1164 HydrophobicContact CG-CE 4.35Å; C1162-M1164 PolarHBondContact O-N 3.33Å |
| 1165 | L | 93.1 | Very high | 82.2 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.7 | 175.9 | -73.8 | 76.4 | 0 | 0 | 0 | 108.4 | I976 I1000 I1008 L1023 I1133 I1134 L1135 L1136 T1163 | I976-L1165 HydrophobicContact CD1-CD1 3.91Å; I1000-L1165 HydrophobicContact CD1-CD1 4.13Å; I1000-L1165 HydrophobicContact CD1-CD2 3.87Å; I1000-L1165 HydrophobicContact CD1-CG 4.04Å; I1008-L1165 HydrophobicContact CD1-CB 4Å; I1008-L1165 HydrophobicContact CD1-CD2 4.26Å; I1008-L1165 HydrophobicContact CD1-CG 4.4Å; L1023-L1165 HydrophobicContact CD2-CD2 4.16Å; I1133-L1165 HydrophobicContact CG2-CD1 4.48Å; I1134-L1165 PolarHBondContact O-N 3.12Å; L1135-L1165 WeakPolarHBondContact CA-O 3.39Å; L1135-L1165 HydrophobicContact CD1-CB 3.79Å; L1136-L1165 PolarHBondContact N-O 3.49Å; T1163-L1165 HydrophobicContact CG2-CD1 4.35Å |
| 1166 | T | 91.1 | Very high | 82 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 99 | -174.6 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | L1006 I1008 L1136 V1174 | L1006-T1166 PolarHBondContact O-N 2.94Å; I1008-T1166 PolarHBondContact N-O 3.49Å; L1136-T1166 HydrophobicContact CB-CG2 4.29Å; L1136-T1166 WeakPolarHBondContact CD1-OG1 3.46Å; T1166-V1174 HydrophobicContact CG2-CG1 3.75Å |
| 1167 | I | 88.5 | Confident | 82.1 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.9 | 168.9 | -59.4 | 170.8 | 0 | 0 | 0 | 107.7 | I1008 K1016 L1135 L1136 E1138 | I1008-I1167 HydrophobicContact CB-CG1 4.04Å; I1008-I1167 HydrophobicContact CD1-CG1 3.9Å; I1008-I1167 HydrophobicContact CG2-CG1 4.22Å; K1016-I1167 HydrophobicContact CB-CG2 3.89Å; K1016-I1167 HydrophobicContact CD-CG2 4.15Å; L1135-I1167 HydrophobicContact CD1-CD1 4.07Å; L1135-I1167 HydrophobicContact CD1-CG1 4.34Å; L1136-I1167 PolarHBondContact O-N 3.36Å; E1138-I1167 WeakPolarHBondContact CA-O 3.49Å; E1138-I1167 HydrophobicContact CG-CG2 4.33Å; E1138-I1167 PolarHBondContact N-O 3.49Å |
| 1168 | A | 74.9 | Confident | 82.4 | Confident | 8 Ų | 8 | 45 Ų | 45 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | trans | -134.3 | 142.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1008 R1170 V1174 | I1008-A1168 PolarHBondContact O-N 3.05Å; A1168-R1170 WeakPolarHBondContact CB-O 3.49Å; A1168-V1174 HydrophobicContact CB-CG1 3.6Å; A1168-V1174 HydrophobicContact CB-CG2 4.2Å | ||
| 1169 | H | 69.1 | Low | 82.9 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -102.1 | -13.5 | 164.8 | -102.1 | -64 | 0 | 0 | 0 | 113 | T1012 K1016 E1138 | T1012-H1169 PolarHBondContact OG1-CE1 3.22Å; K1016-H1169 PolarHBondContact NZ-CE1 2.94Å; K1016-H1169 VanDerWaalsContact NZ-CE1 3.29Å; K1016-H1169 PolarHBondContact NZ-NE2 2.95Å; E1138-H1169 IonicContact OE1-CD2 3.6Å; E1138-H1169 PolarHBondContact OE1-CD2 3.47Å; E1138-H1169 VanDerWaalsContact OE1-CD2 3.24Å; E1138-H1169 IonicContact OE2-CD2 2.73Å |
| 1170 | R | 67.9 | Low | 83.3 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 44% | 0.442 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -92.2 | 122.9 | 163.6 | -69.3 | 179.7 | 174.2 | 171.7 | -1.4 | 108.1 | T1140 D1148 A1168 T1173 | T1140-R1170 PolarHBondContact O-NH1 3.4Å; D1148-R1170 IonicContact OD2-NH1 2.84Å; D1148-R1170 PolarHBondContact OD2-NH1 3.16Å; A1168-R1170 WeakPolarHBondContact CB-O 3.49Å; R1170-T1173 HydrophobicContact CB-CG2 4.3Å; R1170-T1173 PolarHBondContact O-OG1 3.36Å; R1170-T1173 VanDerWaalsContact O-OG1 3.13Å |
| 1171 | I | 72.9 | Confident | 83.7 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -70 | -36.1 | -176.8 | -60.5 | 178.2 | 0 | 0 | 0 | 111.1 | T1173 V1174 M1175 F1205 L1208 L1209 A1212 | I1171-T1173 PolarHBondContact O-N 3.24Å; I1171-T1173 VanDerWaalsContact O-N 3.12Å; I1171-V1174 WeakPolarHBondContact O-CG2 3.46Å; I1171-V1174 PolarHBondContact O-N 3.47Å; I1171-M1175 PolarHBondContact O-N 2.96Å; I1171-F1205 HydrophobicContact CG2-CE2 3.82Å; I1171-F1205 HydrophobicContact CG2-CZ 3.92Å; I1171-L1208 HydrophobicContact CD1-CB 4.04Å; I1171-L1208 WeakPolarHBondContact CD1-O 3.48Å; I1171-L1209 HydrophobicContact CG2-CD1 3.92Å; I1171-A1212 HydrophobicContact CD1-CB 3.98Å |
| 1172 | N | 71.9 | Confident | 83.9 | Confident | 88 Ų | 88 | 35.9 Ų | 35.9 | 47% | 0.471 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -58.1 | -29.7 | -178 | -54.4 | 35.6 | 0 | 0 | 0 | 113.2 | V1174 M1175 | N1172-V1174 VanDerWaalsContact C-N 3.29Å; N1172-V1174 PolarHBondContact O-N 3.45Å; N1172-M1175 PolarHBondContact O-N 3.45Å |
| 1173 | T | 73.6 | Confident | 83.8 | Confident | 29 Ų | 29 | 35.5 Ų | 35.5 | 18% | 0.178 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -78.6 | -9.7 | -180 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | R1170 I1171 | R1170-T1173 HydrophobicContact CB-CG2 4.3Å; R1170-T1173 PolarHBondContact O-OG1 3.36Å; R1170-T1173 VanDerWaalsContact O-OG1 3.13Å; I1171-T1173 PolarHBondContact O-N 3.24Å; I1171-T1173 VanDerWaalsContact O-N 3.12Å |
| 1174 | V | 79.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -110.9 | 3.4 | 173.5 | -73.3 | 0 | 0 | 0 | 0 | 113.3 | V1009 T1166 A1168 I1171 N1172 Y1176 A1177 I1180 | V1009-V1174 HydrophobicContact CG1-CG2 3.64Å; T1166-V1174 HydrophobicContact CG2-CG1 3.75Å; A1168-V1174 HydrophobicContact CB-CG1 3.6Å; A1168-V1174 HydrophobicContact CB-CG2 4.2Å; I1171-V1174 WeakPolarHBondContact O-CG2 3.46Å; I1171-V1174 PolarHBondContact O-N 3.47Å; N1172-V1174 VanDerWaalsContact C-N 3.29Å; N1172-V1174 PolarHBondContact O-N 3.45Å; V1174-Y1176 PolarHBondContact O-N 2.92Å; V1174-A1177 VanDerWaalsContact O-CB 3.26Å; V1174-A1177 WeakPolarHBondContact O-CB 3.32Å; V1174-A1177 PolarHBondContact O-N 3.44Å; V1174-I1180 WeakPolarHBondContact O-CD1 3.47Å |
| 1175 | M | 79.3 | Confident | 83.1 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30.7 | 169.1 | -74.8 | -56.8 | -47.6 | 0 | 0 | 112.5 | I1171 N1172 A1177 P1194 F1205 | I1171-M1175 PolarHBondContact O-N 2.96Å; N1172-M1175 PolarHBondContact O-N 3.45Å; M1175-A1177 PolarHBondContact O-N 3.3Å; M1175-P1194 HydrophobicContact CE-CB 3.93Å; M1175-F1205 HydrophobicContact SD-CE1 4.49Å; M1175-F1205 HydrophobicContact SD-CZ 4Å |
| 1176 | Y | 78.7 | Confident | 82.6 | Confident | 141 Ų | 141 | 45.2 Ų | 45.2 | 55% | 0.553 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 20.6 | 176.5 | -50.2 | -71.3 | 0 | 0 | 0 | 113.9 | V1174 | V1174-Y1176 PolarHBondContact O-N 2.92Š|
| 1177 | A | 86.3 | Confident | 82.6 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -95.4 | 142.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K1005 V1174 M1175 R1179 I1180 P1194 | K1005-A1177 WeakPolarHBondContact O-CB 3.47Å; V1174-A1177 VanDerWaalsContact O-CB 3.26Å; V1174-A1177 WeakPolarHBondContact O-CB 3.32Å; V1174-A1177 PolarHBondContact O-N 3.44Å; M1175-A1177 PolarHBondContact O-N 3.3Å; A1177-R1179 VanDerWaalsContact C-N 3.26Å; A1177-R1179 PolarHBondContact O-N 2.93Å; A1177-I1180 HydrophobicContact CB-CG1 4.44Å; A1177-P1194 WeakPolarHBondContact O-CD 3.5Å |
| 1178 | D | 90.8 | Very high | 82.7 | Confident | 79 Ų | 79 | 51 Ų | 51 | 42% | 0.422 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -64.4 | -36.2 | -178.3 | -47.8 | -44.7 | 0 | 0 | 0 | 110.7 | E1004 K1005 | E1004-D1178 HydrophobicContact CG-CB 4.4Å; K1005-D1178 WeakPolarHBondContact CB-OD2 3.45Å; K1005-D1178 PolarHBondContact N-OD2 2.84Å; K1005-D1178 PolarHBondContact O-N 3.45Å |
| 1179 | R | 93.5 | Very high | 83.3 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 153.2 | 174.9 | -72.8 | 166.9 | 66.5 | -139.7 | 16.7 | 110.5 | T999 E1004 L1006 G1007 A1177 P1193 | T999-R1179 PolarHBondContact O-NH1 2.82Å; E1004-R1179 WeakPolarHBondContact OE1-CD 3.23Å; E1004-R1179 IonicContact OE1-CZ 3.75Å; E1004-R1179 IonicContact OE1-NE 3.54Å; E1004-R1179 IonicContact OE1-NH1 3.6Å; E1004-R1179 PolarHBondContact OE1-NH1 3.05Å; E1004-R1179 IonicContact OE2-NH1 2.79Å; E1004-R1179 PolarHBondContact OE2-NH1 2.71Å; L1006-R1179 WeakPolarHBondContact CA-O 3.19Å; L1006-R1179 HydrophobicContact CD1-CB 4.1Å; G1007-R1179 PolarHBondContact N-O 3.23Å; A1177-R1179 VanDerWaalsContact C-N 3.26Å; A1177-R1179 PolarHBondContact O-N 2.93Å; R1179-P1193 HydrophobicContact CG-CG 4.39Å |
| 1180 | I | 92.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.8 | 176.3 | -62.7 | -178.8 | 0 | 0 | 0 | 110.1 | G1007 V1009 V1174 A1177 V1182 L1191 D1192 P1194 L1197 F1205 | G1007-I1180 CarbonylContact O-C 3.58Å; G1007-I1180 WeakPolarHBondContact O-CA 3.48Å; V1009-I1180 HydrophobicContact CG1-CG2 4.21Å; V1009-I1180 HydrophobicContact CG2-CG2 3.55Å; V1174-I1180 WeakPolarHBondContact O-CD1 3.47Å; A1177-I1180 HydrophobicContact CB-CG1 4.44Å; I1180-V1182 HydrophobicContact CG2-CG2 4.37Å; I1180-L1191 WeakPolarHBondContact O-CA 3.14Å; I1180-D1192 PolarHBondContact N-O 2.99Å; I1180-D1192 PolarHBondContact O-N 3.47Å; I1180-P1194 HydrophobicContact CD1-CB 3.87Å; I1180-L1197 HydrophobicContact CB-CD1 3.91Å; I1180-L1197 HydrophobicContact CG2-CD1 4.35Å; I1180-F1205 HydrophobicContact CD1-CD2 4.4Å; I1180-F1205 HydrophobicContact CD1-CE1 4.22Å; I1180-F1205 HydrophobicContact CD1-CE2 3.63Å; I1180-F1205 HydrophobicContact CD1-CZ 3.52Å; I1180-F1205 HydrophobicContact CG2-CD2 4.16Å; I1180-F1205 HydrophobicContact CG2-CE2 4.24Å |
| 1181 | L | 92.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 115.2 | 169.5 | 176.7 | 62 | 0 | 0 | 0 | 110 | F998 L1006 G1007 I1008 V1009 L1019 M1183 A1188 L1191 | F998-L1181 HydrophobicContact CE1-CD2 4.11Å; F998-L1181 HydrophobicContact CE2-CD2 4.09Å; F998-L1181 HydrophobicContact CZ-CD2 3.63Å; L1006-L1181 HydrophobicContact CD1-CB 4.11Å; L1006-L1181 HydrophobicContact CD2-CB 4.12Å; L1006-L1181 HydrophobicContact CD2-CD2 4.26Å; L1006-L1181 HydrophobicContact CG-CB 4.24Å; G1007-L1181 PolarHBondContact O-N 3.5Å; I1008-L1181 HydrophobicContact CG1-CB 4.42Å; I1008-L1181 HydrophobicContact CG1-CD2 4.46Å; V1009-L1181 PolarHBondContact N-O 2.97Å; L1019-L1181 HydrophobicContact CD2-CD2 4.13Å; L1181-M1183 HydrophobicContact CD2-CG 4.28Å; L1181-M1183 HydrophobicContact CG-CG 4.14Å; L1181-A1188 HydrophobicContact CD1-CB 3.63Å; L1181-L1191 HydrophobicContact CB-CD1 3.97Å; L1181-L1191 HydrophobicContact CD1-CB 4.37Å; L1181-L1191 HydrophobicContact CD1-CD1 4.24Å |
| 1182 | V | 90.7 | Very high | 86.2 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.6 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | V1009 I1180 A1189 E1190 L1204 F1205 | V1009-V1182 HydrophobicContact CG2-CB 4.24Å; V1009-V1182 HydrophobicContact CG2-CG1 4.38Å; V1009-V1182 HydrophobicContact CG2-CG2 3.76Å; I1180-V1182 HydrophobicContact CG2-CG2 4.37Å; V1182-A1189 PolarHBondContact O-N 3.47Å; V1182-E1190 HydrophobicContact CB-CB 3.94Å; V1182-E1190 HydrophobicContact CB-CG 4.39Å; V1182-E1190 HydrophobicContact CG2-CB 3.85Å; V1182-E1190 HydrophobicContact CG2-CG 4.47Å; V1182-E1190 WeakPolarHBondContact CG2-OE2 3.29Å; V1182-E1190 PolarHBondContact N-O 3.39Å; V1182-L1204 HydrophobicContact CG1-CB 3.94Å; V1182-F1205 HydrophobicContact CG2-CB 3.9Å |
| 1183 | M | 88.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.1 | 177 | -65.5 | -167.9 | 72.6 | 0 | 0 | 112.1 | L993 I1008 V1009 G1010 S1014 L1019 L1181 K1187 | L993-M1183 HydrophobicContact CD2-CE 3.64Å; I1008-M1183 HydrophobicContact CG2-CG 4.33Å; I1008-M1183 HydrophobicContact CG2-SD 4.03Å; V1009-M1183 PolarHBondContact O-N 3.38Å; G1010-M1183 WeakPolarHBondContact CA-O 3.26Å; S1014-M1183 WeakPolarHBondContact CB-O 3.36Å; S1014-M1183 PolarHBondContact OG-O 3.08Å; L1019-M1183 HydrophobicContact CD2-SD 4.47Å; L1181-M1183 HydrophobicContact CD2-CG 4.28Å; L1181-M1183 HydrophobicContact CG-CG 4.14Å; M1183-K1187 WeakPolarHBondContact CA-O 3.31Å |
| 1184 | D | 86.3 | Confident | 87.8 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 40% | 0.401 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142.3 | 168.9 | -166.5 | 35.8 | 0 | 0 | 0 | 111.5 | G1186 K1187 A1189 | D1184-G1186 PolarHBondContact O-N 2.99Å; D1184-K1187 PolarHBondContact N-O 2.75Å; D1184-K1187 PolarHBondContact O-N 3.35Å; D1184-A1189 HydrophobicContact CB-CB 4.47Å |
| 1185 | D | 83.8 | Confident | 88 | Confident | 137 Ų | 137 | 51.3 Ų | 51.3 | 73% | 0.733 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 33.3 | 46.3 | -174.6 | -160 | 39.4 | 0 | 0 | 0 | 115.8 | K1187 | D1185-K1187 PolarHBondContact O-N 3.19Š|
| 1186 | G | 83.3 | Confident | 88.4 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 13.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V992 L993 N994 S1014 D1184 | V992-G1186 WeakPolarHBondContact O-CA 3.42Å; L993-G1186 CarbonylContact C-O 3.6Å; L993-G1186 WeakPolarHBondContact CA-O 3.29Å; N994-G1186 PolarHBondContact N-O 3.1Å; S1014-G1186 PolarHBondContact O-N 3.42Å; D1184-G1186 PolarHBondContact O-N 2.99Å |
| 1187 | K | 89.6 | Confident | 88.7 | Confident | 107 Ų | 107 | 44.7 Ų | 44.7 | 47% | 0.465 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 159.5 | 178.6 | -63.5 | 178.7 | -177.6 | 174.2 | 0 | 111.7 | M1183 D1184 D1185 | M1183-K1187 WeakPolarHBondContact CA-O 3.31Å; D1184-K1187 PolarHBondContact N-O 2.75Å; D1184-K1187 PolarHBondContact O-N 3.35Å; D1185-K1187 PolarHBondContact O-N 3.19Å |
| 1188 | A | 90.4 | Very high | 88.5 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 118.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | L996 F998 L1181 | L996-A1188 HydrophobicContact CD2-CB 4.25Å; L996-A1188 VanDerWaalsContact CD2-N 3.29Å; F998-A1188 HydrophobicContact CD1-CB 4.42Å; L1181-A1188 HydrophobicContact CD1-CB 3.63Å |
| 1189 | A | 88.3 | Confident | 87.9 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 44% | 0.438 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1182 D1184 L1204 | V1182-A1189 PolarHBondContact O-N 3.47Å; D1184-A1189 HydrophobicContact CB-CB 4.47Å; A1189-L1204 HydrophobicContact CB-CD1 3.89Å |
| 1190 | E | 89.6 | Confident | 87.3 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.7 | -176.5 | -51.6 | 175.2 | 152.3 | 0 | 0 | 109.2 | V1182 L1197 S1203 L1204 F1205 | V1182-E1190 HydrophobicContact CB-CB 3.94Å; V1182-E1190 HydrophobicContact CB-CG 4.39Å; V1182-E1190 HydrophobicContact CG2-CB 3.85Å; V1182-E1190 HydrophobicContact CG2-CG 4.47Å; V1182-E1190 WeakPolarHBondContact CG2-OE2 3.29Å; V1182-E1190 PolarHBondContact N-O 3.39Å; E1190-L1197 HydrophobicContact CB-CD2 3.94Å; E1190-S1203 VanDerWaalsContact OE1-CA 3.3Å; E1190-S1203 WeakPolarHBondContact OE1-CA 3.49Å; E1190-L1204 PolarHBondContact OE1-N 3.33Å; E1190-L1204 PolarHBondContact OE2-N 3.2Å; E1190-F1205 PolarHBondContact OE2-N 3.34Å |
| 1191 | L | 91.5 | Very high | 86.2 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 18% | 0.183 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 83.5 | -179.1 | -179.7 | 58.4 | 0 | 0 | 0 | 111.2 | F998 L1006 I1180 L1181 | F998-L1191 HydrophobicContact CB-CD2 3.67Å; F998-L1191 HydrophobicContact CD2-CD2 4.16Å; F998-L1191 HydrophobicContact CG-CD2 4.1Å; L1006-L1191 HydrophobicContact CD1-CD1 3.64Å; I1180-L1191 WeakPolarHBondContact O-CA 3.14Å; L1181-L1191 HydrophobicContact CB-CD1 3.97Å; L1181-L1191 HydrophobicContact CD1-CB 4.37Å; L1181-L1191 HydrophobicContact CD1-CD1 4.24Å |
| 1192 | D | 90.8 | Very high | 85.5 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 170 | -174.4 | -88 | -63.7 | 0 | 0 | 0 | 110.7 | I1180 V1196 L1197 R1200 | I1180-D1192 PolarHBondContact N-O 2.99Å; I1180-D1192 PolarHBondContact O-N 3.47Å; D1192-V1196 HydrophobicContact CB-CB 4.37Å; D1192-V1196 HydrophobicContact CB-CG1 4.23Å; D1192-L1197 HydrophobicContact CB-CD1 4.23Å; D1192-L1197 HydrophobicContact CB-CD2 3.91Å; D1192-L1197 HydrophobicContact CB-CG 3.78Å; D1192-L1197 WeakPolarHBondContact O-CD1 3.48Å; D1192-R1200 IonicContact OD1-NH2 3.97Å; D1192-R1200 IonicContact OD2-CZ 2.59Å; D1192-R1200 IonicContact OD2-NH1 3.16Å; D1192-R1200 PolarHBondContact OD2-NH1 3.2Å; D1192-R1200 IonicContact OD2-NH2 3.08Å; D1192-R1200 PolarHBondContact OD2-NH2 2.96Å |
| 1193 | P | 90.7 | Very high | 85 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 31% | 0.312 | 35% | 0.354 | S | S | . | . | trans | -60.8 | 152.1 | 171.2 | -23.3 | 35.3 | 0 | 0 | 0 | 113.2 | R1179 E1195 V1196 L1197 | R1179-P1193 HydrophobicContact CG-CG 4.39Å; P1193-E1195 PolarHBondContact O-N 2.97Å; P1193-V1196 HydrophobicContact CB-CG2 4.25Å; P1193-V1196 HydrophobicContact CG-CG2 4.31Å; P1193-V1196 PolarHBondContact O-N 2.69Å; P1193-L1197 PolarHBondContact O-N 3.29Å; P1193-L1197 VanDerWaalsContact O-N 3.11Å | ||
| 1194 | P | 87.1 | Confident | 84.6 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.1 | -41.4 | -176.1 | 19.5 | -31.6 | 0 | 0 | 0 | 114.2 | M1175 A1177 I1180 L1197 K1198 | M1175-P1194 HydrophobicContact CE-CB 3.93Å; A1177-P1194 WeakPolarHBondContact O-CD 3.5Å; I1180-P1194 HydrophobicContact CD1-CB 3.87Å; P1194-L1197 PolarHBondContact O-N 3.28Å; P1194-K1198 PolarHBondContact O-N 2.98Å |
| 1195 | E | 85.3 | Confident | 84.4 | Confident | 136 Ų | 136 | 65.8 Ų | 65.8 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.8 | -46.2 | 177.3 | -67.6 | 159.9 | -132.8 | 0 | 0 | 112.3 | P1193 L1197 K1198 Q1199 | P1193-E1195 PolarHBondContact O-N 2.97Å; E1195-L1197 VanDerWaalsContact C-N 3.25Å; E1195-L1197 PolarHBondContact O-N 3.24Å; E1195-K1198 WeakPolarHBondContact O-CB 3.31Å; E1195-K1198 PolarHBondContact O-N 2.73Å; E1195-Q1199 WeakPolarHBondContact O-CG 3.48Å; E1195-Q1199 PolarHBondContact O-N 2.96Å |
| 1196 | V | 86.9 | Confident | 84.2 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 179 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | D1192 P1193 R1200 | D1192-V1196 HydrophobicContact CB-CB 4.37Å; D1192-V1196 HydrophobicContact CB-CG1 4.23Å; P1193-V1196 HydrophobicContact CB-CG2 4.25Å; P1193-V1196 HydrophobicContact CG-CG2 4.31Å; P1193-V1196 PolarHBondContact O-N 2.69Å; V1196-R1200 VanDerWaalsContact CG1-NH2 3.35Å; V1196-R1200 WeakPolarHBondContact O-CG 3.45Å; V1196-R1200 PolarHBondContact O-N 3.44Å |
| 1197 | L | 84.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.8 | -26 | 176.6 | -69.2 | 174.6 | 0 | 0 | 0 | 113.9 | I1180 E1190 D1192 P1193 P1194 E1195 S1203 F1205 | I1180-L1197 HydrophobicContact CB-CD1 3.91Å; I1180-L1197 HydrophobicContact CG2-CD1 4.35Å; E1190-L1197 HydrophobicContact CB-CD2 3.94Å; D1192-L1197 HydrophobicContact CB-CD1 4.23Å; D1192-L1197 HydrophobicContact CB-CD2 3.91Å; D1192-L1197 HydrophobicContact CB-CG 3.78Å; D1192-L1197 WeakPolarHBondContact O-CD1 3.48Å; P1193-L1197 PolarHBondContact O-N 3.29Å; P1193-L1197 VanDerWaalsContact O-N 3.11Å; P1194-L1197 PolarHBondContact O-N 3.28Å; E1195-L1197 VanDerWaalsContact C-N 3.25Å; E1195-L1197 PolarHBondContact O-N 3.24Å; L1197-S1203 WeakPolarHBondContact O-CB 3.48Å; L1197-S1203 PolarHBondContact O-OG 3.23Å; L1197-F1205 HydrophobicContact CB-CB 4Å; L1197-F1205 HydrophobicContact CB-CD1 3.55Å; L1197-F1205 HydrophobicContact CB-CE1 4.36Å; L1197-F1205 HydrophobicContact CB-CG 4.05Å; L1197-F1205 HydrophobicContact CD1-CB 4.35Å; L1197-F1205 HydrophobicContact CD1-CG 4.45Å |
| 1198 | K | 81.7 | Confident | 83.1 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 30% | 0.3 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.3 | -48.6 | 166.9 | -84.2 | -173.7 | 172.9 | -177.7 | 0 | 110.9 | E547 P1194 E1195 R1200 F1205 L1209 | E547-K1198 IonicContact OE1-NZ 3.22Å; E547-K1198 PolarHBondContact OE1-NZ 3.42Å; P1194-K1198 PolarHBondContact O-N 2.98Å; E1195-K1198 WeakPolarHBondContact O-CB 3.31Å; E1195-K1198 PolarHBondContact O-N 2.73Å; K1198-R1200 PolarHBondContact O-N 2.95Å; K1198-F1205 HydrophobicContact CG-CE1 4.44Å; K1198-L1209 HydrophobicContact CD-CD2 4.33Å; K1198-L1209 HydrophobicContact CG-CD2 3.81Å |
| 1199 | Q | 79.7 | Confident | 82.4 | Confident | 160 Ų | 160 | 58.5 Ų | 58.5 | 75% | 0.748 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -72 | -20.8 | -171.5 | -70.8 | 177.8 | 9.9 | 0 | 0 | 114.7 | E1195 P1201 | E1195-Q1199 WeakPolarHBondContact O-CG 3.48Å; E1195-Q1199 PolarHBondContact O-N 2.96Å; Q1199-P1201 WeakPolarHBondContact O-CD 3.42Å |
| 1200 | R | 80.6 | Confident | 81.6 | Confident | 104 Ų | 104 | 59.6 Ų | 59.6 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | trans | -79.8 | 120.4 | 176.5 | -73.9 | 177.9 | -168 | 161.2 | 9.5 | 110.8 | D1192 V1196 K1198 S1203 | D1192-R1200 IonicContact OD1-NH2 3.97Å; D1192-R1200 IonicContact OD2-CZ 2.59Å; D1192-R1200 IonicContact OD2-NH1 3.16Å; D1192-R1200 PolarHBondContact OD2-NH1 3.2Å; D1192-R1200 IonicContact OD2-NH2 3.08Å; D1192-R1200 PolarHBondContact OD2-NH2 2.96Å; V1196-R1200 VanDerWaalsContact CG1-NH2 3.35Å; V1196-R1200 WeakPolarHBondContact O-CG 3.45Å; V1196-R1200 PolarHBondContact O-N 3.44Å; K1198-R1200 PolarHBondContact O-N 2.95Å; R1200-S1203 WeakPolarHBondContact O-CB 3.36Å; R1200-S1203 PolarHBondContact O-N 3.11Å | ||
| 1201 | P | 68.9 | Low | 80.3 | Confident | 116 Ų | 116 | 60.8 Ų | 60.8 | 75% | 0.753 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -29.6 | -177 | 28.3 | -35.1 | 0 | 0 | 0 | 113.9 | Q1199 S1203 | Q1199-P1201 WeakPolarHBondContact O-CD 3.42Å; P1201-S1203 PolarHBondContact O-N 3.33Å |
| 1202 | D | 77.6 | Confident | 78.8 | Confident | 162 Ų | 162 | 60.8 Ų | 60.8 | 87% | 0.866 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 5.1 | 178.1 | -59.7 | -51.5 | 0 | 0 | 0 | 113.4 | ||
| 1203 | S | 80.5 | Confident | 77.1 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.028 | 34% | 0.342 | C | S | . | . | trans | -70.2 | 128.8 | -171.7 | 168.9 | 0 | 0 | 0 | 0 | 112.9 | E1190 L1197 R1200 P1201 F1205 S1206 S1207 | E1190-S1203 VanDerWaalsContact OE1-CA 3.3Å; E1190-S1203 WeakPolarHBondContact OE1-CA 3.49Å; L1197-S1203 WeakPolarHBondContact O-CB 3.48Å; L1197-S1203 PolarHBondContact O-OG 3.23Å; R1200-S1203 WeakPolarHBondContact O-CB 3.36Å; R1200-S1203 PolarHBondContact O-N 3.11Å; P1201-S1203 PolarHBondContact O-N 3.33Å; S1203-F1205 VanDerWaalsContact C-N 3.29Å; S1203-F1205 PolarHBondContact O-N 3.36Å; S1203-F1205 PolarHBondContact OG-N 2.93Å; S1203-S1206 PolarHBondContact O-N 3.01Å; S1203-S1206 PolarHBondContact OG-N 3.25Å; S1203-S1207 PolarHBondContact O-N 3.13Å | ||
| 1204 | L | 79.3 | Confident | 74.9 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 31% | 0.314 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 169.9 | -87.6 | 163 | 0 | 0 | 0 | 110.7 | V1182 A1189 E1190 S1207 L1208 | V1182-L1204 HydrophobicContact CG1-CB 3.94Å; A1189-L1204 HydrophobicContact CB-CD1 3.89Å; E1190-L1204 PolarHBondContact OE1-N 3.33Å; E1190-L1204 PolarHBondContact OE2-N 3.2Å; L1204-S1207 PolarHBondContact O-N 2.75Å; L1204-S1207 PolarHBondContact O-OG 3.18Å; L1204-L1208 WeakPolarHBondContact O-CG 3.49Å; L1204-L1208 PolarHBondContact O-N 3.09Å |
| 1205 | F | 82 | Confident | 72.5 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 171.8 | -178.2 | -110.3 | 0 | 0 | 0 | 112.4 | V1009 I1171 M1175 I1180 V1182 E1190 L1197 K1198 S1203 S1207 L1208 L1209 | V1009-F1205 HydrophobicContact CG2-CD2 4.07Å; I1171-F1205 HydrophobicContact CG2-CE2 3.82Å; I1171-F1205 HydrophobicContact CG2-CZ 3.92Å; M1175-F1205 HydrophobicContact SD-CE1 4.49Å; M1175-F1205 HydrophobicContact SD-CZ 4Å; I1180-F1205 HydrophobicContact CD1-CD2 4.4Å; I1180-F1205 HydrophobicContact CD1-CE1 4.22Å; I1180-F1205 HydrophobicContact CD1-CE2 3.63Å; I1180-F1205 HydrophobicContact CD1-CZ 3.52Å; I1180-F1205 HydrophobicContact CG2-CD2 4.16Å; I1180-F1205 HydrophobicContact CG2-CE2 4.24Å; V1182-F1205 HydrophobicContact CG2-CB 3.9Å; E1190-F1205 PolarHBondContact OE2-N 3.34Å; L1197-F1205 HydrophobicContact CB-CB 4Å; L1197-F1205 HydrophobicContact CB-CD1 3.55Å; L1197-F1205 HydrophobicContact CB-CE1 4.36Å; L1197-F1205 HydrophobicContact CB-CG 4.05Å; L1197-F1205 HydrophobicContact CD1-CB 4.35Å; L1197-F1205 HydrophobicContact CD1-CG 4.45Å; K1198-F1205 HydrophobicContact CG-CE1 4.44Å; S1203-F1205 VanDerWaalsContact C-N 3.29Å; S1203-F1205 PolarHBondContact O-N 3.36Å; S1203-F1205 PolarHBondContact OG-N 2.93Å; F1205-S1207 VanDerWaalsContact C-N 3.31Å; F1205-S1207 PolarHBondContact O-N 2.87Å; F1205-L1208 WeakPolarHBondContact O-CB 3.37Å; F1205-L1208 PolarHBondContact O-N 3.13Å; F1205-L1208 VanDerWaalsContact O-N 3.09Å; F1205-L1209 PolarHBondContact O-N 3.17Å |
| 1206 | S | 79.5 | Confident | 70.1 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.6 | -166.5 | 0 | 0 | 0 | 0 | 110.9 | S1203 L1208 L1209 T1210 | S1203-S1206 PolarHBondContact O-N 3.01Å; S1203-S1206 PolarHBondContact OG-N 3.25Å; S1206-L1208 VanDerWaalsContact C-N 3.29Å; S1206-L1208 PolarHBondContact O-N 3.22Å; S1206-L1209 PolarHBondContact O-N 3.4Å; S1206-T1210 WeakPolarHBondContact O-CB 3.23Å; S1206-T1210 PolarHBondContact O-N 3.44Å; S1206-T1210 PolarHBondContact O-OG1 3.29Å |
| 1207 | S | 76.7 | Confident | 67.2 | Low | 54 Ų | 54 | 65.5 Ų | 65.5 | 38% | 0.378 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -34.5 | 174.5 | 84.6 | 0 | 0 | 0 | 0 | 113.6 | S1203 L1204 F1205 A1211 | S1203-S1207 PolarHBondContact O-N 3.13Å; L1204-S1207 PolarHBondContact O-N 2.75Å; L1204-S1207 PolarHBondContact O-OG 3.18Å; F1205-S1207 VanDerWaalsContact C-N 3.31Å; F1205-S1207 PolarHBondContact O-N 2.87Å; S1207-A1211 WeakPolarHBondContact O-CB 3.44Å; S1207-A1211 PolarHBondContact O-N 2.95Å |
| 1208 | L | 74.3 | Confident | 66.3 | Low | 39 Ų | 39 | 68.8 Ų | 68.8 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -75.1 | -39.3 | 176 | -71.5 | 168.6 | 0 | 0 | 0 | 111.6 | R1011 I1171 L1204 F1205 S1206 A1211 A1212 | R1011-L1208 HydrophobicContact CG-CD2 4.44Å; I1171-L1208 HydrophobicContact CD1-CB 4.04Å; I1171-L1208 WeakPolarHBondContact CD1-O 3.48Å; L1204-L1208 WeakPolarHBondContact O-CG 3.49Å; L1204-L1208 PolarHBondContact O-N 3.09Å; F1205-L1208 WeakPolarHBondContact O-CB 3.37Å; F1205-L1208 PolarHBondContact O-N 3.13Å; F1205-L1208 VanDerWaalsContact O-N 3.09Å; S1206-L1208 VanDerWaalsContact C-N 3.29Å; S1206-L1208 PolarHBondContact O-N 3.22Å; L1208-A1211 PolarHBondContact O-N 3.22Å; L1208-A1212 PolarHBondContact O-N 3.21Å |
| 1209 | L | 75.6 | Confident | 65.5 | Low | 22 Ų | 22 | 68.8 Ų | 68.8 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.8 | -47.9 | 176.1 | -177.1 | 68.2 | 0 | 0 | 0 | 111.2 | I1171 K1198 F1205 S1206 A1211 A1212 N1213 | I1171-L1209 HydrophobicContact CG2-CD1 3.92Å; K1198-L1209 HydrophobicContact CD-CD2 4.33Å; K1198-L1209 HydrophobicContact CG-CD2 3.81Å; F1205-L1209 PolarHBondContact O-N 3.17Å; S1206-L1209 PolarHBondContact O-N 3.4Å; L1209-A1211 VanDerWaalsContact C-N 3.31Å; L1209-A1211 PolarHBondContact O-N 2.94Å; L1209-A1212 WeakPolarHBondContact O-CB 3.22Å; L1209-A1212 PolarHBondContact O-N 3.19Å; L1209-A1212 VanDerWaalsContact O-N 3.09Å; L1209-N1213 PolarHBondContact O-OD1 2.95Å; L1209-N1213 PolarHBondContact O-N 2.62Å |
| 1210 | T | 70.7 | Confident | 64.7 | Low | 75 Ų | 75 | 63.7 Ų | 63.7 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 173.4 | -53.3 | 0 | 0 | 0 | 0 | 110.7 | S1206 A1212 N1213 T1214 | S1206-T1210 WeakPolarHBondContact O-CB 3.23Å; S1206-T1210 PolarHBondContact O-N 3.44Å; S1206-T1210 PolarHBondContact O-OG1 3.29Å; T1210-A1212 VanDerWaalsContact C-N 3.27Å; T1210-A1212 PolarHBondContact O-N 3.14Å; T1210-N1213 PolarHBondContact O-N 3.49Å; T1210-T1214 HydrophobicContact CG2-CG2 3.98Å; T1210-T1214 WeakPolarHBondContact O-CB 3.22Å; T1210-T1214 WeakPolarHBondContact O-CG2 3.16Å; T1210-T1214 PolarHBondContact O-N 3.26Å; T1210-T1214 PolarHBondContact O-OG1 3.1Å |
| 1211 | A | 62.1 | Low | 63.8 | Low | 57 Ų | 57 | 61.4 Ų | 61.4 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.7 | -23.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1207 L1208 L1209 V1215 | S1207-A1211 WeakPolarHBondContact O-CB 3.44Å; S1207-A1211 PolarHBondContact O-N 2.95Å; L1208-A1211 PolarHBondContact O-N 3.22Å; L1209-A1211 VanDerWaalsContact C-N 3.31Å; L1209-A1211 PolarHBondContact O-N 2.94Å; A1211-V1215 WeakPolarHBondContact O-CG2 3.11Å |
| 1212 | A | 60.6 | Low | 63.5 | Low | 35 Ų | 35 | 57.9 Ų | 57.9 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.6 | -40.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1171 L1208 L1209 T1210 V1215 | I1171-A1212 HydrophobicContact CD1-CB 3.98Å; L1208-A1212 PolarHBondContact O-N 3.21Å; L1209-A1212 WeakPolarHBondContact O-CB 3.22Å; L1209-A1212 PolarHBondContact O-N 3.19Å; L1209-A1212 VanDerWaalsContact O-N 3.09Å; T1210-A1212 VanDerWaalsContact C-N 3.27Å; T1210-A1212 PolarHBondContact O-N 3.14Å; A1212-V1215 PolarHBondContact O-N 3.39Å |
| 1213 | N | 54.9 | Low | 62.5 | Low | 67 Ų | 67 | 51 Ų | 51 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76 | -36.1 | -176.6 | -67.4 | 7.4 | 0 | 0 | 0 | 112.2 | L1209 T1210 V1215 N1216 | L1209-N1213 PolarHBondContact O-OD1 2.95Å; L1209-N1213 PolarHBondContact O-N 2.62Å; T1210-N1213 PolarHBondContact O-N 3.49Å; N1213-V1215 PolarHBondContact O-N 3.2Å; N1213-V1215 VanDerWaalsContact O-N 3.1Å; N1213-N1216 WeakPolarHBondContact O-CB 3.48Å; N1213-N1216 PolarHBondContact O-N 3.06Å |
| 1214 | T | 43.8 | Very low | 61.3 | Low | 71 Ų | 71 | 54.4 Ų | 54.4 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 14.7 | 173.1 | 63.6 | 0 | 0 | 0 | 0 | 114.1 | T1210 | T1210-T1214 HydrophobicContact CG2-CG2 3.98Å; T1210-T1214 WeakPolarHBondContact O-CB 3.22Å; T1210-T1214 WeakPolarHBondContact O-CG2 3.16Å; T1210-T1214 PolarHBondContact O-N 3.26Å; T1210-T1214 PolarHBondContact O-OG1 3.1Å |
| 1215 | V | 37.9 | Very low | 59.9 | Low | 36 Ų | 36 | 53.9 Ų | 53.9 | 22% | 0.218 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -15.9 | 161.3 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | A1211 A1212 N1213 | A1211-V1215 WeakPolarHBondContact O-CG2 3.11Å; A1212-V1215 PolarHBondContact O-N 3.39Å; N1213-V1215 PolarHBondContact O-N 3.2Å; N1213-V1215 VanDerWaalsContact O-N 3.1Å |
| 1216 | N | 33.7 | Very low | 58 | Low | 73 Ų | 73 | 58.3 Ų | 58.3 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | trans | -104.3 | 7.8 | -177.6 | -52.2 | -26.6 | 0 | 0 | 0 | 112.8 | Q540 N1213 | Q540-N1216 PolarHBondContact NE2-OD1 2.99Å; Q540-N1216 VanDerWaalsContact NE2-OD1 3.14Å; N1213-N1216 WeakPolarHBondContact O-CB 3.48Å; N1213-N1216 PolarHBondContact O-N 3.06Å | ||
| 1217 | T | 26.7 | Very low | 56.1 | Low | 150 Ų | 150 | 61.7 Ų | 61.7 | 92% | 0.92 | 39% | 0.385 | S | S | * | . | trans | -139.9 | 0 | 175.9 | 62.7 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 1,217 of 1,217 residues in 3500.2 ms
(Link to these results)