| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 68.3 | Low | 85.4 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | 0 | 123.1 | 0 | -161.3 | 174.7 | -177.3 | 0 | 0 | 110.1 | E5 V6 V25 T28 Y29 N34 | M1-E5 WeakPolarHBondContact CA-OE2 3.23Å; M1-E5 HydrophobicContact CE-CB 4.13Å; M1-E5 HydrophobicContact CG-CB 4.31Å; M1-E5 WeakPolarHBondContact CG-OE2 3.47Å; M1-V6 HydrophobicContact CE-CG2 4.25Å; M1-V25 HydrophobicContact CE-CB 4.06Å; M1-V25 HydrophobicContact CE-CG1 3.25Å; M1-V25 HydrophobicContact CE-CG2 4.47Å; M1-V25 WeakPolarHBondContact CE-O 3.3Å; M1-T28 HydrophobicContact SD-CG2 3.86Å; M1-Y29 HydrophobicContact CB-CD2 4.45Å; M1-Y29 PolarHBondContact SD-N 2.84Å; M1-N34 PolarHBondContact N-ND2 3.46Å; M1-N34 PolarHBondContact O-ND2 3.18Å | |||
| 2 | H | 77.4 | Confident | 85.9 | Confident | 133 Ų | 133 | 53.4 Ų | 53.4 | 62% | 0.616 | 26% | 0.259 | S | S | * | . | trans | -87 | 150 | 176.4 | -70.4 | -72 | 0 | 0 | 0 | 110.6 | V4 E5 | H2-V4 PolarHBondContact O-N 3.45Å; H2-E5 HydrophobicContact CB-CG 4.48Å; H2-E5 PolarHBondContact N-OE2 2.97Å; H2-E5 VanDerWaalsContact O-CB 3.29Å; H2-E5 WeakPolarHBondContact O-CB 3.3Å; H2-E5 PolarHBondContact O-N 3.19Å | ||
| 3 | F | 82.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -32.4 | 179.7 | -172.9 | -109.8 | 0 | 0 | 0 | 113 | E5 V6 L7 Y29 I37 L39 L48 L71 L75 | F3-E5 PolarHBondContact O-N 2.73Å; F3-E5 VanDerWaalsContact O-N 3.16Å; F3-V6 HydrophobicContact CD2-CB 4.45Å; F3-V6 WeakPolarHBondContact O-CA 3.27Å; F3-V6 VanDerWaalsContact O-CB 3.31Å; F3-V6 WeakPolarHBondContact O-CB 3.5Å; F3-V6 PolarHBondContact O-N 2.85Å; F3-L7 HydrophobicContact CD1-CD1 3.95Å; F3-L7 HydrophobicContact CD1-CG 4.06Å; F3-L7 HydrophobicContact CE1-CD1 3.77Å; F3-L7 HydrophobicContact CE1-CD2 3.79Å; F3-L7 HydrophobicContact CE1-CG 3.77Å; F3-L7 HydrophobicContact CZ-CD2 4.05Å; F3-L7 HydrophobicContact CZ-CG 4.39Å; F3-L7 PolarHBondContact O-N 3.26Å; F3-L7 VanDerWaalsContact O-N 3.16Å; F3-Y29 HydrophobicContact CB-CE2 3.98Å; F3-Y29 HydrophobicContact CD2-CD1 4.36Å; F3-Y29 AromaticContact CD2-CE1 3.67Å; F3-Y29 HydrophobicContact CD2-CE1 3.67Å; F3-Y29 HydrophobicContact CD2-CE2 4.22Å; F3-Y29 AromaticContact CD2-CZ 3.61Å; F3-Y29 HydrophobicContact CE2-CE1 4.28Å; F3-I37 HydrophobicContact CD1-CG2 3.63Å; F3-I37 HydrophobicContact CE1-CG2 3.8Å; F3-I37 HydrophobicContact CG-CG2 4.21Å; F3-L39 HydrophobicContact CD1-CD2 3.95Å; F3-L39 HydrophobicContact CE1-CD2 3.67Å; F3-L48 HydrophobicContact CE1-CD1 4.44Å; F3-L48 HydrophobicContact CE1-CD2 4.36Å; F3-L48 HydrophobicContact CZ-CD1 3.91Å; F3-L48 HydrophobicContact CZ-CD2 4.44Å; F3-L71 HydrophobicContact CE2-CD1 4.33Å; F3-L71 HydrophobicContact CE2-CD2 4.42Å; F3-L75 HydrophobicContact CE2-CD1 4.3Å; F3-L75 HydrophobicContact CE2-CD2 4.39Å; F3-L75 HydrophobicContact CZ-CD1 4.37Å |
| 4 | V | 83 | Confident | 86.4 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.2 | -28.9 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | H2 L7 K8 | H2-V4 PolarHBondContact O-N 3.45Å; V4-L7 PolarHBondContact O-N 3.31Å; V4-K8 HydrophobicContact CG1-CD 4.23Å; V4-K8 HydrophobicContact CG1-CG 4.42Å; V4-K8 WeakPolarHBondContact O-CB 3.28Å; V4-K8 VanDerWaalsContact O-CG 3.29Å; V4-K8 WeakPolarHBondContact O-CG 3.44Å; V4-K8 PolarHBondContact O-N 3.37Å |
| 5 | E | 84.9 | Confident | 86.6 | Confident | 86 Ų | 86 | 55 Ų | 55 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71 | -33.1 | 176.1 | -61.6 | 168.3 | 164.4 | 0 | 0 | 111.6 | M1 H2 F3 C9 | M1-E5 WeakPolarHBondContact CA-OE2 3.23Å; M1-E5 HydrophobicContact CE-CB 4.13Å; M1-E5 HydrophobicContact CG-CB 4.31Å; M1-E5 WeakPolarHBondContact CG-OE2 3.47Å; H2-E5 HydrophobicContact CB-CG 4.48Å; H2-E5 PolarHBondContact N-OE2 2.97Å; H2-E5 VanDerWaalsContact O-CB 3.29Å; H2-E5 WeakPolarHBondContact O-CB 3.3Å; H2-E5 PolarHBondContact O-N 3.19Å; F3-E5 PolarHBondContact O-N 2.73Å; F3-E5 VanDerWaalsContact O-N 3.16Å; E5-C9 WeakPolarHBondContact O-CB 3.27Å; E5-C9 PolarHBondContact O-N 2.88Å |
| 6 | V | 89 | Confident | 86.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | M1 F3 C9 W10 V25 I26 Y29 L51 L71 | M1-V6 HydrophobicContact CE-CG2 4.25Å; F3-V6 HydrophobicContact CD2-CB 4.45Å; F3-V6 WeakPolarHBondContact O-CA 3.27Å; F3-V6 VanDerWaalsContact O-CB 3.31Å; F3-V6 WeakPolarHBondContact O-CB 3.5Å; F3-V6 PolarHBondContact O-N 2.85Å; V6-C9 PolarHBondContact O-N 3.37Å; V6-W10 PolarHBondContact O-N 3.47Å; V6-V25 HydrophobicContact CG2-CG1 4.31Å; V6-I26 HydrophobicContact CG1-CG1 3.89Å; V6-Y29 HydrophobicContact CG2-CD1 4.16Å; V6-Y29 HydrophobicContact CG2-CD2 4.06Å; V6-Y29 HydrophobicContact CG2-CG 3.67Å; V6-L51 HydrophobicContact CG1-CD2 4.42Å; V6-L71 HydrophobicContact CG1-CD2 4.33Å |
| 7 | L | 89.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 178.4 | -61.9 | -178.4 | 0 | 0 | 0 | 112.3 | F3 V4 W10 E11 L39 D44 A47 L48 | F3-L7 HydrophobicContact CD1-CD1 3.95Å; F3-L7 HydrophobicContact CD1-CG 4.06Å; F3-L7 HydrophobicContact CE1-CD1 3.77Å; F3-L7 HydrophobicContact CE1-CD2 3.79Å; F3-L7 HydrophobicContact CE1-CG 3.77Å; F3-L7 HydrophobicContact CZ-CD2 4.05Å; F3-L7 HydrophobicContact CZ-CG 4.39Å; F3-L7 PolarHBondContact O-N 3.26Å; F3-L7 VanDerWaalsContact O-N 3.16Å; V4-L7 PolarHBondContact O-N 3.31Å; L7-W10 WeakPolarHBondContact O-CB 3.42Å; L7-W10 PolarHBondContact O-N 3.22Å; L7-E11 PolarHBondContact O-N 2.96Å; L7-L39 HydrophobicContact CD1-CD2 4.16Å; L7-D44 HydrophobicContact CD1-CB 3.67Å; L7-A47 HydrophobicContact CB-CB 4.22Å; L7-A47 HydrophobicContact CD1-CB 4.49Å; L7-A47 HydrophobicContact CD2-CB 4.1Å; L7-L48 HydrophobicContact CD2-CB 4.16Å |
| 8 | K | 88.8 | Confident | 86.8 | Confident | 131 Ų | 131 | 66.8 Ų | 66.8 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.3 | -46.9 | 173.5 | -76.8 | 174.7 | 178.1 | 179.1 | 0 | 111.7 | V4 W10 E11 D12 | V4-K8 HydrophobicContact CG1-CD 4.23Å; V4-K8 HydrophobicContact CG1-CG 4.42Å; V4-K8 WeakPolarHBondContact O-CB 3.28Å; V4-K8 VanDerWaalsContact O-CG 3.29Å; V4-K8 WeakPolarHBondContact O-CG 3.44Å; V4-K8 PolarHBondContact O-N 3.37Å; K8-W10 VanDerWaalsContact C-N 3.27Å; K8-W10 PolarHBondContact O-N 2.76Å; K8-E11 PolarHBondContact O-N 3.49Å; K8-D12 WeakPolarHBondContact O-CB 3.44Å; K8-D12 VanDerWaalsContact O-CG 3.25Å; K8-D12 PolarHBondContact O-N 3.36Å |
| 9 | C | 91.3 | Very high | 86.9 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 10% | 0.095 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.1 | -40 | 175.3 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | E5 V6 D12 C13 V25 | E5-C9 WeakPolarHBondContact O-CB 3.27Å; E5-C9 PolarHBondContact O-N 2.88Å; V6-C9 PolarHBondContact O-N 3.37Å; C9-D12 PolarHBondContact O-N 2.68Å; C9-C13 WeakPolarHBondContact O-CB 3.38Å; C9-C13 PolarHBondContact O-N 2.71Å; C9-C13 PolarHBondContact O-SG 3.5Å; C9-V25 HydrophobicContact CB-CB 4.4Å; C9-V25 HydrophobicContact CB-CG1 3.68Å; C9-V25 HydrophobicContact CB-CG2 4.29Å |
| 10 | W | 93.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 175.4 | 171.1 | -110.3 | 0 | 0 | 0 | 112.5 | V6 L7 K8 D12 C13 K14 Y19 L22 S50 L51 A54 Y60 | V6-W10 PolarHBondContact O-N 3.47Å; L7-W10 WeakPolarHBondContact O-CB 3.42Å; L7-W10 PolarHBondContact O-N 3.22Å; K8-W10 VanDerWaalsContact C-N 3.27Å; K8-W10 PolarHBondContact O-N 2.76Å; W10-D12 VanDerWaalsContact C-N 3.34Å; W10-D12 PolarHBondContact O-N 2.72Å; W10-C13 PolarHBondContact O-N 3.18Å; W10-K14 WeakPolarHBondContact O-CB 3.46Å; W10-K14 PolarHBondContact O-N 3.4Å; W10-Y19 HydrophobicContact CH2-CE1 4.16Å; W10-Y19 AromaticContact CZ3-CD1 3.98Å; W10-Y19 HydrophobicContact CZ3-CD1 3.98Å; W10-Y19 AromaticContact CZ3-CE1 3.81Å; W10-Y19 HydrophobicContact CZ3-CE1 3.81Å; W10-L22 HydrophobicContact CE3-CD1 4.4Å; W10-L22 HydrophobicContact CE3-CD2 3.9Å; W10-L22 HydrophobicContact CZ3-CD2 4.09Å; W10-S50 PolarHBondContact NE1-OG 3.35Å; W10-L51 HydrophobicContact CB-CD1 4.22Å; W10-L51 HydrophobicContact CD2-CB 4.16Å; W10-L51 HydrophobicContact CD2-CD1 3.51Å; W10-L51 HydrophobicContact CD2-CG 4.43Å; W10-L51 HydrophobicContact CE3-CD1 3.43Å; W10-L51 VanDerWaalsContact CE3-CD1 3.43Å; W10-L51 HydrophobicContact CG-CB 4.12Å; W10-L51 HydrophobicContact CG-CD1 3.85Å; W10-L51 HydrophobicContact CG-CG 4.49Å; W10-L51 HydrophobicContact CZ3-CD1 4.06Å; W10-A54 HydrophobicContact CH2-CB 3.24Å; W10-A54 HydrophobicContact CZ2-CB 3.73Å; W10-A54 HydrophobicContact CZ3-CB 4.04Å; W10-Y60 HydrophobicContact CH2-CE1 4.15Å |
| 11 | E | 91 | Very high | 87 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 177.6 | -68 | -59.5 | 148.9 | 0 | 0 | 111.9 | L7 K8 K14 S15 A47 | L7-E11 PolarHBondContact O-N 2.96Å; K8-E11 PolarHBondContact O-N 3.49Å; E11-K14 PolarHBondContact O-N 3.3Å; E11-S15 WeakPolarHBondContact O-CB 3.41Å; E11-S15 PolarHBondContact O-N 3.48Å; E11-A47 HydrophobicContact CG-CB 4.29Å; E11-A47 WeakPolarHBondContact OE1-CB 3.43Å |
| 12 | D | 90.9 | Very high | 88 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 174.6 | -69.1 | -21.9 | 0 | 0 | 0 | 111.2 | K8 C9 W10 K14 S15 L16 | K8-D12 WeakPolarHBondContact O-CB 3.44Å; K8-D12 VanDerWaalsContact O-CG 3.25Å; K8-D12 PolarHBondContact O-N 3.36Å; C9-D12 PolarHBondContact O-N 2.68Å; W10-D12 VanDerWaalsContact C-N 3.34Å; W10-D12 PolarHBondContact O-N 2.72Å; D12-K14 VanDerWaalsContact C-N 3.31Å; D12-K14 PolarHBondContact O-N 2.67Å; D12-S15 PolarHBondContact O-N 3.46Å; D12-S15 PolarHBondContact O-OG 3.39Å; D12-L16 WeakPolarHBondContact O-CB 3.39Å; D12-L16 WeakPolarHBondContact O-CG 3.13Å; D12-L16 PolarHBondContact O-N 2.89Å |
| 13 | C | 90.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 177.3 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | C9 W10 S15 L16 E17 N18 Y19 S21 | C9-C13 WeakPolarHBondContact O-CB 3.38Å; C9-C13 PolarHBondContact O-N 2.71Å; C9-C13 PolarHBondContact O-SG 3.5Å; W10-C13 PolarHBondContact O-N 3.18Å; C13-S15 VanDerWaalsContact C-N 3.35Å; C13-L16 PolarHBondContact O-N 2.81Å; C13-E17 WeakPolarHBondContact O-CA 3.3Å; C13-E17 PolarHBondContact O-N 2.89Å; C13-N18 VanDerWaalsContact CA-O 3.3Å; C13-N18 WeakPolarHBondContact CA-O 3.24Å; C13-N18 VanDerWaalsContact CB-O 3.24Å; C13-N18 WeakPolarHBondContact CB-O 3.33Å; C13-N18 PolarHBondContact O-N 3.49Å; C13-N18 PolarHBondContact SG-O 3.43Å; C13-N18 VanDerWaalsContact SG-O 3.38Å; C13-Y19 HydrophobicContact CB-CD1 3.68Å; C13-Y19 HydrophobicContact CB-CE1 4.01Å; C13-S21 PolarHBondContact SG-OG 2.78Å; C13-S21 VanDerWaalsContact SG-OG 3.33Å |
| 14 | K | 89.1 | Confident | 89.1 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177.1 | -174.3 | 178.8 | 180 | 179 | 0 | 111.8 | W10 E11 D12 S50 | W10-K14 WeakPolarHBondContact O-CB 3.46Å; W10-K14 PolarHBondContact O-N 3.4Å; E11-K14 PolarHBondContact O-N 3.3Å; D12-K14 VanDerWaalsContact C-N 3.31Å; D12-K14 PolarHBondContact O-N 2.67Å; K14-S50 PolarHBondContact NZ-OG 3.23Å |
| 15 | S | 89 | Confident | 89.5 | Confident | 89 Ų | 89 | 65.2 Ų | 65.2 | 62% | 0.622 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.2 | -30.9 | 177.9 | 77 | 0 | 0 | 0 | 0 | 113.5 | E11 D12 C13 | E11-S15 WeakPolarHBondContact O-CB 3.41Å; E11-S15 PolarHBondContact O-N 3.48Å; D12-S15 PolarHBondContact O-N 3.46Å; D12-S15 PolarHBondContact O-OG 3.39Å; C13-S15 VanDerWaalsContact C-N 3.35Å |
| 16 | L | 89.3 | Confident | 89.8 | Confident | 131 Ų | 131 | 61.1 Ų | 61.1 | 69% | 0.686 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -96.1 | -5.8 | -177.6 | -66.7 | 172.2 | 0 | 0 | 0 | 113.7 | D12 C13 N18 | D12-L16 WeakPolarHBondContact O-CB 3.39Å; D12-L16 WeakPolarHBondContact O-CG 3.13Å; D12-L16 PolarHBondContact O-N 2.89Å; C13-L16 PolarHBondContact O-N 2.81Å; L16-N18 HydrophobicContact CB-CB 4.41Å; L16-N18 PolarHBondContact O-N 3.1Å; L16-N18 VanDerWaalsContact O-N 3.15Å |
| 17 | E | 86.6 | Confident | 89.8 | Confident | 167 Ų | 167 | 64.3 Ų | 64.3 | 78% | 0.78 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 31.9 | -169.5 | -62.4 | -177.6 | 173.3 | 0 | 0 | 113 | C13 | C13-E17 WeakPolarHBondContact O-CA 3.3Å; C13-E17 PolarHBondContact O-N 2.89Å |
| 18 | N | 88.4 | Confident | 89.8 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 43% | 0.428 | 36% | 0.358 | S | S | . | . | trans | -130.8 | 117.6 | 179.9 | -175.7 | -11.7 | 0 | 0 | 0 | 110.2 | C13 L16 D20 | C13-N18 VanDerWaalsContact CA-O 3.3Å; C13-N18 WeakPolarHBondContact CA-O 3.24Å; C13-N18 VanDerWaalsContact CB-O 3.24Å; C13-N18 WeakPolarHBondContact CB-O 3.33Å; C13-N18 PolarHBondContact O-N 3.49Å; C13-N18 PolarHBondContact SG-O 3.43Å; C13-N18 VanDerWaalsContact SG-O 3.38Å; L16-N18 HydrophobicContact CB-CB 4.41Å; L16-N18 PolarHBondContact O-N 3.1Å; L16-N18 VanDerWaalsContact O-N 3.15Å; N18-D20 WeakPolarHBondContact OD1-CB 3.33Å; N18-D20 VanDerWaalsContact OD1-CG 3.31Å; N18-D20 PolarHBondContact OD1-N 3.05Å; N18-D20 PolarHBondContact OD1-OD2 2.83Å | ||
| 19 | Y | 88.5 | Confident | 89.8 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | trans | -108.7 | 6.6 | -173 | -54.4 | -81.5 | 0 | 0 | 0 | 113.5 | W10 C13 S21 L22 P23 Y60 | W10-Y19 HydrophobicContact CH2-CE1 4.16Å; W10-Y19 AromaticContact CZ3-CD1 3.98Å; W10-Y19 HydrophobicContact CZ3-CD1 3.98Å; W10-Y19 AromaticContact CZ3-CE1 3.81Å; W10-Y19 HydrophobicContact CZ3-CE1 3.81Å; C13-Y19 HydrophobicContact CB-CD1 3.68Å; C13-Y19 HydrophobicContact CB-CE1 4.01Å; Y19-S21 PolarHBondContact O-N 3.25Å; Y19-L22 WeakPolarHBondContact O-CB 3.49Å; Y19-L22 PolarHBondContact O-N 3.36Å; Y19-L22 VanDerWaalsContact O-N 3.16Å; Y19-P23 VanDerWaalsContact O-CD 3.29Å; Y19-P23 WeakPolarHBondContact O-CD 3.3Å; Y19-Y60 HydrophobicContact CD1-CE1 4.3Å; Y19-Y60 HydrophobicContact CD2-CD1 4.44Å; Y19-Y60 HydrophobicContact CD2-CE1 4.44Å; Y19-Y60 HydrophobicContact CE1-CD1 4.44Å; Y19-Y60 AromaticContact CE1-CE1 3.73Å; Y19-Y60 HydrophobicContact CE1-CE1 3.73Å; Y19-Y60 HydrophobicContact CE2-CD1 4.26Å; Y19-Y60 AromaticContact CE2-CE1 3.88Å; Y19-Y60 HydrophobicContact CE2-CE1 3.88Å; Y19-Y60 AromaticContact CZ-CE1 3.5Å | ||
| 20 | D | 85.8 | Confident | 89.6 | Confident | 135 Ų | 135 | 62.6 Ų | 62.6 | 72% | 0.722 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29 | -174.7 | -69.9 | -22 | 0 | 0 | 0 | 113.2 | N18 | N18-D20 WeakPolarHBondContact OD1-CB 3.33Å; N18-D20 VanDerWaalsContact OD1-CG 3.31Å; N18-D20 PolarHBondContact OD1-N 3.05Å; N18-D20 PolarHBondContact OD1-OD2 2.83Å |
| 21 | S | 88.8 | Confident | 89.2 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -26.2 | 179.9 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | C13 Y19 T24 V25 | C13-S21 PolarHBondContact SG-OG 2.78Å; C13-S21 VanDerWaalsContact SG-OG 3.33Å; Y19-S21 PolarHBondContact O-N 3.25Å; S21-T24 PolarHBondContact O-N 2.75Å; S21-T24 VanDerWaalsContact O-N 3.15Å; S21-V25 PolarHBondContact O-N 2.9Å; S21-V25 VanDerWaalsContact O-N 3.14Å |
| 22 | L | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | -171.4 | -173.5 | 72.3 | 0 | 0 | 0 | 113 | W10 Y19 T24 V25 I26 L51 T64 I68 | W10-L22 HydrophobicContact CE3-CD1 4.4Å; W10-L22 HydrophobicContact CE3-CD2 3.9Å; W10-L22 HydrophobicContact CZ3-CD2 4.09Å; Y19-L22 WeakPolarHBondContact O-CB 3.49Å; Y19-L22 PolarHBondContact O-N 3.36Å; Y19-L22 VanDerWaalsContact O-N 3.16Å; L22-T24 VanDerWaalsContact C-N 3.28Å; L22-T24 PolarHBondContact O-N 2.77Å; L22-V25 PolarHBondContact O-N 3.03Å; L22-I26 HydrophobicContact CD1-CD1 3.93Å; L22-I26 HydrophobicContact CD1-CG1 4.21Å; L22-I26 HydrophobicContact CD2-CD1 4.24Å; L22-I26 HydrophobicContact CG-CD1 3.77Å; L22-I26 HydrophobicContact CG-CG1 4.33Å; L22-I26 PolarHBondContact O-N 3.15Å; L22-L51 HydrophobicContact CD2-CD1 4.31Å; L22-T64 HydrophobicContact CD2-CG2 4.09Å; L22-I68 HydrophobicContact CD2-CD1 4.45Å; L22-I68 HydrophobicContact CD2-CG1 4.47Å |
| 23 | P | 90.5 | Very high | 87.3 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 21% | 0.208 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.9 | -38 | 177.8 | -24.2 | 33.8 | 0 | 0 | 0 | 113.5 | Y19 N27 V67 | Y19-P23 VanDerWaalsContact O-CD 3.29Å; Y19-P23 WeakPolarHBondContact O-CD 3.3Å; P23-N27 VanDerWaalsContact O-CB 3.24Å; P23-N27 WeakPolarHBondContact O-CB 3.46Å; P23-N27 PolarHBondContact O-N 3.34Å; P23-N27 PolarHBondContact O-ND2 3.45Å; P23-V67 HydrophobicContact CB-CB 4.39Å; P23-V67 HydrophobicContact CB-CG1 4.2Å; P23-V67 HydrophobicContact CB-CG2 4.28Å; P23-V67 HydrophobicContact CG-CG1 4.12Å |
| 24 | T | 90.4 | Very high | 85.8 | Confident | 94 Ų | 94 | 72.5 Ų | 72.5 | 58% | 0.577 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.5 | -44 | 179.6 | -55.4 | 0 | 0 | 0 | 0 | 111 | S21 L22 T28 | S21-T24 PolarHBondContact O-N 2.75Å; S21-T24 VanDerWaalsContact O-N 3.15Å; L22-T24 VanDerWaalsContact C-N 3.28Å; L22-T24 PolarHBondContact O-N 2.77Å; T24-T28 WeakPolarHBondContact O-CB 3.31Å; T24-T28 PolarHBondContact O-N 3.34Å; T24-T28 PolarHBondContact O-OG1 2.68Å |
| 25 | V | 91.6 | Very high | 84.2 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64 | -48.9 | 178.8 | 166.6 | 0 | 0 | 0 | 0 | 111 | M1 V6 C9 S21 L22 T28 Y29 | M1-V25 HydrophobicContact CE-CB 4.06Å; M1-V25 HydrophobicContact CE-CG1 3.25Å; M1-V25 HydrophobicContact CE-CG2 4.47Å; M1-V25 WeakPolarHBondContact CE-O 3.3Å; V6-V25 HydrophobicContact CG2-CG1 4.31Å; C9-V25 HydrophobicContact CB-CB 4.4Å; C9-V25 HydrophobicContact CB-CG1 3.68Å; C9-V25 HydrophobicContact CB-CG2 4.29Å; S21-V25 PolarHBondContact O-N 2.9Å; S21-V25 VanDerWaalsContact O-N 3.14Å; L22-V25 PolarHBondContact O-N 3.03Å; V25-T28 PolarHBondContact O-N 3.25Å; V25-Y29 PolarHBondContact O-N 3.35Å |
| 26 | I | 91.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 179.1 | -70.4 | 175.9 | 0 | 0 | 0 | 111.2 | V6 L22 T28 Y29 I30 V67 I68 L71 | V6-I26 HydrophobicContact CG1-CG1 3.89Å; L22-I26 HydrophobicContact CD1-CD1 3.93Å; L22-I26 HydrophobicContact CD1-CG1 4.21Å; L22-I26 HydrophobicContact CD2-CD1 4.24Å; L22-I26 HydrophobicContact CG-CD1 3.77Å; L22-I26 HydrophobicContact CG-CG1 4.33Å; L22-I26 PolarHBondContact O-N 3.15Å; I26-T28 VanDerWaalsContact C-N 3.29Å; I26-T28 PolarHBondContact O-N 2.85Å; I26-Y29 WeakPolarHBondContact O-CB 3.43Å; I26-Y29 PolarHBondContact O-N 3.49Å; I26-Y29 VanDerWaalsContact O-N 3.1Å; I26-I30 HydrophobicContact CG2-CD1 3.67Å; I26-I30 HydrophobicContact CG2-CG1 4.24Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 3.34Å; I26-V67 HydrophobicContact CB-CG2 3.81Å; I26-V67 HydrophobicContact CD1-CG1 4.11Å; I26-V67 HydrophobicContact CD1-CG2 4.41Å; I26-V67 HydrophobicContact CG2-CG2 3.64Å; I26-I68 HydrophobicContact CD1-CG1 4.46Å; I26-L71 HydrophobicContact CD1-CD2 4.21Å; I26-L71 HydrophobicContact CG1-CD2 4.46Å; I26-L71 HydrophobicContact CG2-CB 3.89Å; I26-L71 HydrophobicContact CG2-CD1 4.34Å |
| 27 | N | 90 | Very high | 81.6 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 35% | 0.353 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 178.6 | -75.6 | -35.9 | 0 | 0 | 0 | 112.1 | P23 Y29 I30 Q31 | P23-N27 VanDerWaalsContact O-CB 3.24Å; P23-N27 WeakPolarHBondContact O-CB 3.46Å; P23-N27 PolarHBondContact O-N 3.34Å; P23-N27 PolarHBondContact O-ND2 3.45Å; N27-Y29 VanDerWaalsContact C-N 3.32Å; N27-Y29 PolarHBondContact O-N 3.24Å; N27-I30 PolarHBondContact O-N 2.89Å; N27-Q31 WeakPolarHBondContact O-CB 3.45Å; N27-Q31 VanDerWaalsContact O-CG 3.24Å; N27-Q31 WeakPolarHBondContact O-CG 3.29Å; N27-Q31 PolarHBondContact O-N 3.29Å |
| 28 | T | 89.6 | Confident | 80.5 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 40% | 0.399 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 174.8 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | M1 T24 V25 I26 S32 | M1-T28 HydrophobicContact SD-CG2 3.86Å; T24-T28 WeakPolarHBondContact O-CB 3.31Å; T24-T28 PolarHBondContact O-N 3.34Å; T24-T28 PolarHBondContact O-OG1 2.68Å; V25-T28 PolarHBondContact O-N 3.25Å; I26-T28 VanDerWaalsContact C-N 3.29Å; I26-T28 PolarHBondContact O-N 2.85Å; T28-S32 PolarHBondContact O-N 2.88Å; T28-S32 VanDerWaalsContact O-N 3.12Å; T28-S32 PolarHBondContact O-OG 3.37Å |
| 29 | Y | 89 | Confident | 79.5 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.1 | -48.1 | 175.3 | 177.2 | -104.6 | 0 | 0 | 0 | 111.8 | M1 F3 V6 V25 I26 N27 Q31 S32 L71 F74 L75 | M1-Y29 HydrophobicContact CB-CD2 4.45Å; M1-Y29 PolarHBondContact SD-N 2.84Å; F3-Y29 HydrophobicContact CB-CE2 3.98Å; F3-Y29 HydrophobicContact CD2-CD1 4.36Å; F3-Y29 AromaticContact CD2-CE1 3.67Å; F3-Y29 HydrophobicContact CD2-CE1 3.67Å; F3-Y29 HydrophobicContact CD2-CE2 4.22Å; F3-Y29 AromaticContact CD2-CZ 3.61Å; F3-Y29 HydrophobicContact CE2-CE1 4.28Å; V6-Y29 HydrophobicContact CG2-CD1 4.16Å; V6-Y29 HydrophobicContact CG2-CD2 4.06Å; V6-Y29 HydrophobicContact CG2-CG 3.67Å; V25-Y29 PolarHBondContact O-N 3.35Å; I26-Y29 WeakPolarHBondContact O-CB 3.43Å; I26-Y29 PolarHBondContact O-N 3.49Å; I26-Y29 VanDerWaalsContact O-N 3.1Å; N27-Y29 VanDerWaalsContact C-N 3.32Å; N27-Y29 PolarHBondContact O-N 3.24Å; Y29-Q31 VanDerWaalsContact C-N 3.27Å; Y29-Q31 PolarHBondContact O-N 3.42Å; Y29-S32 WeakPolarHBondContact O-CB 3.48Å; Y29-S32 PolarHBondContact O-N 3.36Å; Y29-L71 HydrophobicContact CD1-CD1 3.95Å; Y29-L71 HydrophobicContact CE1-CD1 4.12Å; Y29-F74 HydrophobicContact CD1-CD1 4.47Å; Y29-F74 HydrophobicContact CD1-CE1 4.15Å; Y29-F74 HydrophobicContact CE1-CD1 4.04Å; Y29-F74 AromaticContact CE1-CE1 3.56Å; Y29-F74 HydrophobicContact CE1-CE1 3.56Å; Y29-L75 HydrophobicContact CE1-CD2 4.46Å |
| 30 | I | 86.7 | Confident | 78.2 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 23% | 0.226 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60 | -37.1 | 178.3 | -68.2 | 172.1 | 0 | 0 | 0 | 111.5 | I26 N27 S32 D70 F74 | I26-I30 HydrophobicContact CG2-CD1 3.67Å; I26-I30 HydrophobicContact CG2-CG1 4.24Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 3.34Å; N27-I30 PolarHBondContact O-N 2.89Å; I30-S32 VanDerWaalsContact C-N 3.33Å; I30-D70 HydrophobicContact CD1-CB 4.17Å; I30-F74 HydrophobicContact CB-CD2 4.26Å; I30-F74 HydrophobicContact CB-CG 4.4Å; I30-F74 HydrophobicContact CD1-CB 4.28Å; I30-F74 HydrophobicContact CG1-CB 4Å; I30-F74 HydrophobicContact CG1-CD1 4.17Å; I30-F74 HydrophobicContact CG1-CD2 4.24Å; I30-F74 HydrophobicContact CG1-CG 3.88Å; I30-F74 HydrophobicContact CG2-CB 4.48Å; I30-F74 HydrophobicContact CG2-CD2 3.75Å; I30-F74 HydrophobicContact CG2-CE2 4.22Å; I30-F74 HydrophobicContact CG2-CG 4.21Å; I30-F74 WeakPolarHBondContact O-CE2 3.49Å |
| 31 | Q | 84.9 | Confident | 77.4 | Confident | 161 Ų | 161 | 58.4 Ų | 58.4 | 75% | 0.752 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -79.7 | -13 | 177.9 | -69.5 | 175 | 4 | 0 | 0 | 113.7 | N27 Y29 | N27-Q31 WeakPolarHBondContact O-CB 3.45Å; N27-Q31 VanDerWaalsContact O-CG 3.24Å; N27-Q31 WeakPolarHBondContact O-CG 3.29Å; N27-Q31 PolarHBondContact O-N 3.29Å; Y29-Q31 VanDerWaalsContact C-N 3.27Å; Y29-Q31 PolarHBondContact O-N 3.42Å |
| 32 | S | 80.4 | Confident | 76.6 | Confident | 23 Ų | 23 | 59 Ų | 59 | 16% | 0.161 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -74.4 | 140.8 | 179.2 | -68.2 | 0 | 0 | 0 | 0 | 110.1 | T28 Y29 I30 N34 | T28-S32 PolarHBondContact O-N 2.88Å; T28-S32 VanDerWaalsContact O-N 3.12Å; T28-S32 PolarHBondContact O-OG 3.37Å; Y29-S32 WeakPolarHBondContact O-CB 3.48Å; Y29-S32 PolarHBondContact O-N 3.36Å; I30-S32 VanDerWaalsContact C-N 3.33Å; S32-N34 PolarHBondContact O-N 2.81Å |
| 33 | P | 62.9 | Low | 76 | Confident | 134 Ų | 134 | 64 Ų | 64 | 87% | 0.87 | 38% | 0.379 | S | S | * | . | trans | -71.9 | 31 | 176.7 | 30.2 | -35.5 | 0 | 0 | 0 | 113.3 | ||||
| 34 | N | 58.4 | Low | 75.6 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 35% | 0.348 | 37% | 0.374 | S | S | . | . | trans | -96 | 136.2 | -163.4 | -80.4 | -0.7 | 0 | 0 | 0 | 114.4 | M1 S32 | M1-N34 PolarHBondContact N-ND2 3.46Å; M1-N34 PolarHBondContact O-ND2 3.18Å; S32-N34 PolarHBondContact O-N 2.81Å | ||
| 35 | A | 55.6 | Low | 75 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 63% | 0.628 | 36% | 0.362 | S | S | * | . | trans | -46.7 | 163.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 36 | P | 56.4 | Low | 74.7 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | trans | -41 | 155.3 | -172.7 | 12.4 | -33.7 | 0 | 0 | 0 | 117.2 | K38 | P36-K38 PolarHBondContact O-N 3.33Š| ||
| 37 | I | 67.1 | Low | 74.6 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 6% | 0.056 | 38% | 0.384 | C | S | . | . | trans | -54.6 | 112.2 | 168.7 | -50.9 | -171.2 | 0 | 0 | 0 | 108.4 | F3 L39 L75 T81 | F3-I37 HydrophobicContact CD1-CG2 3.63Å; F3-I37 HydrophobicContact CE1-CG2 3.8Å; F3-I37 HydrophobicContact CG-CG2 4.21Å; I37-L39 HydrophobicContact CG2-CD1 4.34Å; I37-L39 HydrophobicContact CG2-CD2 3.53Å; I37-L39 HydrophobicContact CG2-CG 3.53Å; I37-L75 HydrophobicContact CD1-CB 4.37Å; I37-L75 HydrophobicContact CD1-CD1 3.69Å; I37-L75 HydrophobicContact CD1-CD2 3.39Å; I37-L75 HydrophobicContact CD1-CG 3.96Å; I37-L75 HydrophobicContact CG1-CD2 3.51Å; I37-T81 HydrophobicContact CD1-CG2 3.28Å; I37-T81 HydrophobicContact CG1-CG2 3.79Å | ||
| 38 | K | 63.2 | Low | 74.5 | Confident | 138 Ų | 138 | 63.9 Ų | 63.9 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | trans | -102.5 | 92.2 | 163.8 | -69.8 | -169.2 | 177.6 | -167.3 | 0 | 107.7 | P36 T40 | P36-K38 PolarHBondContact O-N 3.33Å; K38-T40 HydrophobicContact CB-CG2 4.48Å; K38-T40 PolarHBondContact O-N 2.88Å | ||
| 39 | L | 66.6 | Low | 74.5 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | trans | -78 | 113.1 | 166.7 | -53.8 | 172.2 | 0 | 0 | 0 | 106.3 | F3 L7 I37 D44 V45 L48 F89 C410 W412 | F3-L39 HydrophobicContact CD1-CD2 3.95Å; F3-L39 HydrophobicContact CE1-CD2 3.67Å; L7-L39 HydrophobicContact CD1-CD2 4.16Å; I37-L39 HydrophobicContact CG2-CD1 4.34Å; I37-L39 HydrophobicContact CG2-CD2 3.53Å; I37-L39 HydrophobicContact CG2-CG 3.53Å; L39-D44 HydrophobicContact CB-CB 4.12Å; L39-D44 HydrophobicContact CD2-CB 4.02Å; L39-V45 HydrophobicContact CB-CG2 4.46Å; L39-V45 HydrophobicContact CD1-CG2 4.12Å; L39-L48 HydrophobicContact CD1-CD2 3.94Å; L39-L48 HydrophobicContact CD2-CD2 4.03Å; L39-F89 HydrophobicContact CD1-CE2 4.28Å; L39-F89 HydrophobicContact CD1-CZ 3.99Å; L39-C410 PolarHBondContact O-SG 3.07Å; L39-W412 HydrophobicContact CD1-CZ2 4.06Å | ||
| 40 | T | 62.9 | Low | 74.6 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | trans | -96.3 | -17.1 | -171.3 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | K38 D44 | K38-T40 HydrophobicContact CB-CG2 4.48Å; K38-T40 PolarHBondContact O-N 2.88Å; T40-D44 WeakPolarHBondContact CA-OD2 3.36Å; T40-D44 PolarHBondContact N-OD2 2.87Å; T40-D44 PolarHBondContact OG1-OD2 2.92Å | ||
| 41 | S | 68.4 | Low | 74.9 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -140 | 161.2 | -173.6 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | D43 D44 V45 | S41-D43 PolarHBondContact O-N 3.3Å; S41-D43 PolarHBondContact OG-N 3.32Å; S41-D44 PolarHBondContact N-OD2 3.02Å; S41-D44 WeakPolarHBondContact O-CB 3.46Å; S41-D44 PolarHBondContact O-N 2.91Å; S41-D44 PolarHBondContact OG-N 3.44Å; S41-D44 VanDerWaalsContact OG-N 3.09Å; S41-D44 PolarHBondContact OG-OD1 3.31Å; S41-D44 PolarHBondContact OG-OD2 2.91Å; S41-V45 PolarHBondContact O-N 3.18Å |
| 42 | A | 72.1 | Confident | 75.3 | Confident | 70 Ų | 70 | 56 Ų | 56 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.4 | -27.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V45 K46 | A42-V45 PolarHBondContact O-N 3.29Å; A42-K46 WeakPolarHBondContact O-CG 3.36Å; A42-K46 PolarHBondContact O-N 2.83Å; A42-K46 VanDerWaalsContact O-N 3.11Å |
| 43 | D | 78.2 | Confident | 75.8 | Confident | 106 Ų | 106 | 58.7 Ų | 58.7 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.3 | -36.6 | 176.1 | -64.8 | -30.6 | 0 | 0 | 0 | 111.3 | S41 V45 K46 A47 | S41-D43 PolarHBondContact O-N 3.3Å; S41-D43 PolarHBondContact OG-N 3.32Å; D43-V45 VanDerWaalsContact C-N 3.28Å; D43-V45 PolarHBondContact O-N 3.38Å; D43-K46 PolarHBondContact O-N 3.34Å; D43-K46 IonicContact OD1-NZ 3.04Å; D43-A47 WeakPolarHBondContact O-CB 3.44Å; D43-A47 PolarHBondContact O-N 2.85Å |
| 44 | D | 81.4 | Confident | 77.1 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 172.8 | -61.1 | -36.4 | 0 | 0 | 0 | 111.4 | L7 L39 T40 S41 A47 L48 | L7-D44 HydrophobicContact CD1-CB 3.67Å; L39-D44 HydrophobicContact CB-CB 4.12Å; L39-D44 HydrophobicContact CD2-CB 4.02Å; T40-D44 WeakPolarHBondContact CA-OD2 3.36Å; T40-D44 PolarHBondContact N-OD2 2.87Å; T40-D44 PolarHBondContact OG1-OD2 2.92Å; S41-D44 PolarHBondContact N-OD2 3.02Å; S41-D44 WeakPolarHBondContact O-CB 3.46Å; S41-D44 PolarHBondContact O-N 2.91Å; S41-D44 PolarHBondContact OG-N 3.44Å; S41-D44 VanDerWaalsContact OG-N 3.09Å; S41-D44 PolarHBondContact OG-OD1 3.31Å; S41-D44 PolarHBondContact OG-OD2 2.91Å; D44-A47 PolarHBondContact O-N 2.91Å; D44-L48 WeakPolarHBondContact O-CB 3.34Å; D44-L48 PolarHBondContact O-N 3.29Å |
| 45 | V | 79.3 | Confident | 78.6 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 33% | 0.333 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | L39 S41 A42 D43 L48 N49 F89 | L39-V45 HydrophobicContact CB-CG2 4.46Å; L39-V45 HydrophobicContact CD1-CG2 4.12Å; S41-V45 PolarHBondContact O-N 3.18Å; A42-V45 PolarHBondContact O-N 3.29Å; D43-V45 VanDerWaalsContact C-N 3.28Å; D43-V45 PolarHBondContact O-N 3.38Å; V45-L48 PolarHBondContact O-N 2.96Å; V45-N49 WeakPolarHBondContact O-CB 3.36Å; V45-N49 PolarHBondContact O-N 2.85Å; V45-F89 HydrophobicContact CG1-CE1 3.97Å; V45-F89 HydrophobicContact CG1-CZ 3.85Å; V45-F89 WeakPolarHBondContact O-CE1 3.39Å |
| 46 | K | 85.1 | Confident | 80.3 | Confident | 138 Ų | 138 | 46.3 Ų | 46.3 | 60% | 0.6 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.3 | -44.6 | 176.4 | -72.4 | 174.6 | -173.3 | 164.7 | 0 | 111.8 | A42 D43 N49 S50 | A42-K46 WeakPolarHBondContact O-CG 3.36Å; A42-K46 PolarHBondContact O-N 2.83Å; A42-K46 VanDerWaalsContact O-N 3.11Å; D43-K46 PolarHBondContact O-N 3.34Å; D43-K46 IonicContact OD1-NZ 3.04Å; K46-N49 PolarHBondContact O-N 3.41Å; K46-S50 WeakPolarHBondContact O-CB 3.39Å; K46-S50 PolarHBondContact O-N 3.38Å |
| 47 | A | 87.7 | Confident | 81.8 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L7 E11 D43 D44 N49 S50 L51 | L7-A47 HydrophobicContact CB-CB 4.22Å; L7-A47 HydrophobicContact CD1-CB 4.49Å; L7-A47 HydrophobicContact CD2-CB 4.1Å; E11-A47 HydrophobicContact CG-CB 4.29Å; E11-A47 WeakPolarHBondContact OE1-CB 3.43Å; D43-A47 WeakPolarHBondContact O-CB 3.44Å; D43-A47 PolarHBondContact O-N 2.85Å; D44-A47 PolarHBondContact O-N 2.91Å; A47-N49 PolarHBondContact O-N 3.47Å; A47-S50 WeakPolarHBondContact O-CB 3.35Å; A47-S50 PolarHBondContact O-N 3Å; A47-L51 WeakPolarHBondContact O-CB 3.14Å; A47-L51 PolarHBondContact O-N 3.11Å |
| 48 | L | 89.5 | Confident | 82.6 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.7 | 179.6 | 53.2 | 0 | 0 | 0 | 112.2 | F3 L7 L39 D44 V45 S50 L51 I52 L85 F89 | F3-L48 HydrophobicContact CE1-CD1 4.44Å; F3-L48 HydrophobicContact CE1-CD2 4.36Å; F3-L48 HydrophobicContact CZ-CD1 3.91Å; F3-L48 HydrophobicContact CZ-CD2 4.44Å; L7-L48 HydrophobicContact CD2-CB 4.16Å; L39-L48 HydrophobicContact CD1-CD2 3.94Å; L39-L48 HydrophobicContact CD2-CD2 4.03Å; D44-L48 WeakPolarHBondContact O-CB 3.34Å; D44-L48 PolarHBondContact O-N 3.29Å; V45-L48 PolarHBondContact O-N 2.96Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 2.81Å; L48-L51 PolarHBondContact O-N 3.36Å; L48-I52 HydrophobicContact CD1-CD1 4Å; L48-I52 HydrophobicContact CD1-CG1 4.12Å; L48-I52 HydrophobicContact CG-CD1 3.92Å; L48-I52 VanDerWaalsContact O-CG1 3.31Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 2.72Å; L48-L85 HydrophobicContact CD2-CD2 4.3Å; L48-F89 HydrophobicContact CB-CE1 4.01Å; L48-F89 HydrophobicContact CB-CZ 4.26Å; L48-F89 HydrophobicContact CD2-CE1 3.97Å; L48-F89 HydrophobicContact CD2-CE2 4.03Å; L48-F89 HydrophobicContact CD2-CZ 3.58Å; L48-F89 HydrophobicContact CG-CD1 4.45Å; L48-F89 HydrophobicContact CG-CE1 3.84Å; L48-F89 HydrophobicContact CG-CZ 4Å |
| 49 | N | 89.1 | Confident | 83.7 | Confident | 75 Ų | 75 | 49.7 Ų | 49.7 | 40% | 0.401 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 177 | -169 | 59.3 | 0 | 0 | 0 | 111.9 | V45 K46 A47 T53 F89 | V45-N49 WeakPolarHBondContact O-CB 3.36Å; V45-N49 PolarHBondContact O-N 2.85Å; K46-N49 PolarHBondContact O-N 3.41Å; A47-N49 PolarHBondContact O-N 3.47Å; N49-T53 WeakPolarHBondContact O-CB 3.44Å; N49-T53 PolarHBondContact O-N 3.18Å; N49-T53 PolarHBondContact O-OG1 3.36Å; N49-F89 HydrophobicContact CB-CD1 4.02Å; N49-F89 HydrophobicContact CB-CE1 4.07Å |
| 50 | S | 91.6 | Very high | 84.7 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | W10 K14 K46 A47 L48 T53 A54 | W10-S50 PolarHBondContact NE1-OG 3.35Å; K14-S50 PolarHBondContact NZ-OG 3.23Å; K46-S50 WeakPolarHBondContact O-CB 3.39Å; K46-S50 PolarHBondContact O-N 3.38Å; A47-S50 WeakPolarHBondContact O-CB 3.35Å; A47-S50 PolarHBondContact O-N 3Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 2.81Å; S50-T53 PolarHBondContact O-N 3.1Å; S50-A54 PolarHBondContact O-N 3.37Å |
| 51 | L | 93.1 | Very high | 85.8 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 177.6 | -178.4 | 66.9 | 0 | 0 | 0 | 111.4 | V6 W10 L22 A47 L48 T53 A54 G55 I68 L71 | V6-L51 HydrophobicContact CG1-CD2 4.42Å; W10-L51 HydrophobicContact CB-CD1 4.22Å; W10-L51 HydrophobicContact CD2-CB 4.16Å; W10-L51 HydrophobicContact CD2-CD1 3.51Å; W10-L51 HydrophobicContact CD2-CG 4.43Å; W10-L51 HydrophobicContact CE3-CD1 3.43Å; W10-L51 VanDerWaalsContact CE3-CD1 3.43Å; W10-L51 HydrophobicContact CG-CB 4.12Å; W10-L51 HydrophobicContact CG-CD1 3.85Å; W10-L51 HydrophobicContact CG-CG 4.49Å; W10-L51 HydrophobicContact CZ3-CD1 4.06Å; L22-L51 HydrophobicContact CD2-CD1 4.31Å; A47-L51 WeakPolarHBondContact O-CB 3.14Å; A47-L51 PolarHBondContact O-N 3.11Å; L48-L51 PolarHBondContact O-N 3.36Å; L51-T53 VanDerWaalsContact C-N 3.33Å; L51-T53 PolarHBondContact O-N 3.47Å; L51-A54 PolarHBondContact O-N 2.95Å; L51-G55 PolarHBondContact O-N 2.85Å; L51-I68 HydrophobicContact CD1-CD1 4.05Å; L51-I68 HydrophobicContact CD1-CG1 4Å; L51-L71 HydrophobicContact CD2-CD2 3.64Å |
| 52 | I | 92.3 | Very high | 86.8 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 174.5 | -71.7 | 163.5 | 0 | 0 | 0 | 110 | L48 A54 G55 F56 L85 F89 I91 P94 | L48-I52 HydrophobicContact CD1-CD1 4Å; L48-I52 HydrophobicContact CD1-CG1 4.12Å; L48-I52 HydrophobicContact CG-CD1 3.92Å; L48-I52 VanDerWaalsContact O-CG1 3.31Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 2.72Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 3.48Å; I52-G55 PolarHBondContact O-N 3.07Å; I52-G55 VanDerWaalsContact O-N 3.11Å; I52-F56 HydrophobicContact CG2-CE2 4.3Å; I52-F56 WeakPolarHBondContact O-CD2 3.33Å; I52-L85 HydrophobicContact CD1-CD2 3.78Å; I52-F89 HydrophobicContact CD1-CB 4.09Å; I52-F89 HydrophobicContact CD1-CD1 3.85Å; I52-F89 HydrophobicContact CD1-CG 4.06Å; I52-I91 HydrophobicContact CB-CD1 4.47Å; I52-I91 HydrophobicContact CD1-CD1 4.15Å; I52-I91 HydrophobicContact CG1-CD1 4.21Å; I52-I91 HydrophobicContact CG2-CD1 3.41Å; I52-I91 VanDerWaalsContact CG2-CD1 3.41Å; I52-P94 HydrophobicContact CG2-CG 4.21Å |
| 53 | T | 90.7 | Very high | 87.5 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | -178.9 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | N49 S50 L51 G55 F56 C57 | N49-T53 WeakPolarHBondContact O-CB 3.44Å; N49-T53 PolarHBondContact O-N 3.18Å; N49-T53 PolarHBondContact O-OG1 3.36Å; S50-T53 PolarHBondContact O-N 3.1Å; L51-T53 VanDerWaalsContact C-N 3.33Å; L51-T53 PolarHBondContact O-N 3.47Å; T53-G55 PolarHBondContact O-N 3.48Å; T53-F56 CarbonylContact O-C 3.56Å; T53-F56 PolarHBondContact O-N 2.96Å; T53-C57 PolarHBondContact O-N 3Å |
| 54 | A | 90.1 | Very high | 88 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -29.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W10 S50 L51 I52 F56 C57 Y60 I68 | W10-A54 HydrophobicContact CH2-CB 3.24Å; W10-A54 HydrophobicContact CZ2-CB 3.73Å; W10-A54 HydrophobicContact CZ3-CB 4.04Å; S50-A54 PolarHBondContact O-N 3.37Å; L51-A54 PolarHBondContact O-N 2.95Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 3.48Å; A54-F56 PolarHBondContact O-N 3.03Å; A54-C57 PolarHBondContact O-N 3.35Å; A54-Y60 HydrophobicContact CB-CD2 3.87Å; A54-Y60 HydrophobicContact CB-CE1 4.42Å; A54-Y60 HydrophobicContact CB-CE2 3.48Å; A54-Y60 VanDerWaalsContact CB-CE2 3.48Å; A54-Y60 VanDerWaalsContact O-CD2 3.25Å; A54-Y60 WeakPolarHBondContact O-CD2 3.41Å; A54-I68 HydrophobicContact CB-CD1 3.99Å |
| 55 | G | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L51 I52 T53 | L51-G55 PolarHBondContact O-N 2.85Å; I52-G55 PolarHBondContact O-N 3.07Å; I52-G55 VanDerWaalsContact O-N 3.11Å; T53-G55 PolarHBondContact O-N 3.48Å |
| 56 | F | 91.3 | Very high | 89.1 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.057 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 25.2 | -176 | -54 | -83.2 | 0 | 0 | 0 | 112.9 | I52 T53 A54 I72 P94 L95 Y97 I104 L111 | I52-F56 HydrophobicContact CG2-CE2 4.3Å; I52-F56 WeakPolarHBondContact O-CD2 3.33Å; T53-F56 CarbonylContact O-C 3.56Å; T53-F56 PolarHBondContact O-N 2.96Å; A54-F56 PolarHBondContact O-N 3.03Å; F56-I72 HydrophobicContact CE2-CD1 3.83Å; F56-I72 HydrophobicContact CZ-CD1 4.03Å; F56-P94 VanDerWaalsContact CD1-O 3.23Å; F56-P94 WeakPolarHBondContact CD1-O 3.47Å; F56-P94 HydrophobicContact CD2-CB 3.53Å; F56-P94 HydrophobicContact CD2-CG 4.47Å; F56-P94 WeakPolarHBondContact CE1-O 3.49Å; F56-P94 HydrophobicContact CE2-CB 3.77Å; F56-P94 HydrophobicContact CE2-CG 4.34Å; F56-P94 HydrophobicContact CG-CB 3.93Å; F56-P94 HydrophobicContact CZ-CB 4.36Å; F56-L95 HydrophobicContact CE1-CD2 4.17Å; F56-L95 HydrophobicContact CZ-CD2 3.74Å; F56-L95 HydrophobicContact CZ-CG 4.14Å; F56-Y97 HydrophobicContact CB-CD1 4.48Å; F56-I104 WeakPolarHBondContact O-CD1 3.38Å; F56-L111 HydrophobicContact CE1-CD1 3.67Å; F56-L111 HydrophobicContact CZ-CD1 4.39Å |
| 57 | C | 87.9 | Confident | 89.4 | Confident | 28 Ų | 28 | 37 Ų | 37 | 19% | 0.189 | 22% | 0.216 | C | C | . | . | trans | -116.1 | 135 | 177.6 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | T53 A54 E59 Y60 Q65 | T53-C57 PolarHBondContact O-N 3Å; A54-C57 PolarHBondContact O-N 3.35Å; C57-E59 PolarHBondContact O-N 2.98Å; C57-Y60 HydrophobicContact CB-CD2 3.84Å; C57-Y60 HydrophobicContact CB-CE2 3.98Å; C57-Y60 PolarHBondContact O-N 3.46Å; C57-Q65 PolarHBondContact O-NE2 2.91Å | ||
| 58 | D | 84.7 | Confident | 89.7 | Confident | 114 Ų | 114 | 36.9 Ų | 36.9 | 61% | 0.61 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.8 | -178.2 | 55.7 | -23.7 | 0 | 0 | 0 | 114 | Y60 | D58-Y60 PolarHBondContact O-N 2.94Š|
| 59 | E | 86.1 | Confident | 89.9 | Confident | 162 Ų | 162 | 36.8 Ų | 36.8 | 76% | 0.757 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.3 | 174.1 | -62.9 | -179.8 | 175.2 | 0 | 0 | 113.1 | C57 | C57-E59 PolarHBondContact O-N 2.98Š|
| 60 | Y | 87.1 | Confident | 90.1 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -100.2 | 143.1 | -177.3 | -59.3 | -78.4 | 0 | 0 | 0 | 112.3 | W10 Y19 A54 C57 D58 T64 Q65 | W10-Y60 HydrophobicContact CH2-CE1 4.15Å; Y19-Y60 HydrophobicContact CD1-CE1 4.3Å; Y19-Y60 HydrophobicContact CD2-CD1 4.44Å; Y19-Y60 HydrophobicContact CD2-CE1 4.44Å; Y19-Y60 HydrophobicContact CE1-CD1 4.44Å; Y19-Y60 AromaticContact CE1-CE1 3.73Å; Y19-Y60 HydrophobicContact CE1-CE1 3.73Å; Y19-Y60 HydrophobicContact CE2-CD1 4.26Å; Y19-Y60 AromaticContact CE2-CE1 3.88Å; Y19-Y60 HydrophobicContact CE2-CE1 3.88Å; Y19-Y60 AromaticContact CZ-CE1 3.5Å; A54-Y60 HydrophobicContact CB-CD2 3.87Å; A54-Y60 HydrophobicContact CB-CE1 4.42Å; A54-Y60 HydrophobicContact CB-CE2 3.48Å; A54-Y60 VanDerWaalsContact CB-CE2 3.48Å; A54-Y60 VanDerWaalsContact O-CD2 3.25Å; A54-Y60 WeakPolarHBondContact O-CD2 3.41Å; C57-Y60 HydrophobicContact CB-CD2 3.84Å; C57-Y60 HydrophobicContact CB-CE2 3.98Å; C57-Y60 PolarHBondContact O-N 3.46Å; D58-Y60 PolarHBondContact O-N 2.94Å; Y60-T64 HydrophobicContact CD1-CG2 4.25Å; Y60-T64 HydrophobicContact CG-CG2 4.48Å; Y60-Q65 PolarHBondContact O-NE2 3.02Å |
| 61 | C | 87.1 | Confident | 90.1 | Very high | 76 Ų | 76 | 34 Ų | 34 | 51% | 0.514 | 20% | 0.198 | S | C | . | . | trans | -68.6 | 157.7 | 178.6 | 73.1 | 0 | 0 | 0 | 0 | 112.2 | A63 T64 Q65 | C61-A63 PolarHBondContact O-N 3.29Å; C61-A63 VanDerWaalsContact O-N 3.13Å; C61-T64 PolarHBondContact O-N 3.28Å; C61-T64 PolarHBondContact SG-OG1 2.97Å; C61-T64 VanDerWaalsContact SG-OG1 3.39Å; C61-Q65 PolarHBondContact O-N 3.32Å | ||
| 62 | A | 87.7 | Confident | 90.1 | Very high | 34 Ų | 34 | 34.2 Ų | 34.2 | 28% | 0.281 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -55.2 | -33.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N66 T105 | A62-N66 WeakPolarHBondContact O-CB 3.47Å; A62-N66 PolarHBondContact O-N 3.49Å; A62-N66 PolarHBondContact O-ND2 2.83Å; A62-T105 WeakPolarHBondContact CB-O 3.43Å |
| 63 | A | 88 | Confident | 90.1 | Very high | 62 Ų | 62 | 35.4 Ų | 35.4 | 51% | 0.512 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.2 | -44 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | C61 V67 | C61-A63 PolarHBondContact O-N 3.29Å; C61-A63 VanDerWaalsContact O-N 3.13Å; A63-V67 PolarHBondContact O-N 2.75Å; A63-V67 VanDerWaalsContact O-N 3.15Å |
| 64 | T | 89.2 | Confident | 90 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -45.6 | 176 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | L22 Y60 C61 N66 V67 I68 | L22-T64 HydrophobicContact CD2-CG2 4.09Å; Y60-T64 HydrophobicContact CD1-CG2 4.25Å; Y60-T64 HydrophobicContact CG-CG2 4.48Å; C61-T64 PolarHBondContact O-N 3.28Å; C61-T64 PolarHBondContact SG-OG1 2.97Å; C61-T64 VanDerWaalsContact SG-OG1 3.39Å; T64-N66 PolarHBondContact O-N 3.25Å; T64-V67 WeakPolarHBondContact O-CG1 3.45Å; T64-V67 PolarHBondContact O-N 2.87Å; T64-I68 HydrophobicContact CG2-CD1 3.92Å; T64-I68 VanDerWaalsContact O-CG1 3.29Å; T64-I68 WeakPolarHBondContact O-CG1 3.4Å; T64-I68 PolarHBondContact O-N 3.49Å; T64-I68 VanDerWaalsContact O-N 3.13Å |
| 65 | Q | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 176.8 | -68.6 | 173.6 | -15.8 | 0 | 0 | 111.4 | C57 Y60 C61 V67 I68 I69 T105 C106 | C57-Q65 PolarHBondContact O-NE2 2.91Å; Y60-Q65 PolarHBondContact O-NE2 3.02Å; C61-Q65 PolarHBondContact O-N 3.32Å; Q65-V67 PolarHBondContact O-N 3.35Å; Q65-I68 PolarHBondContact O-N 3.39Å; Q65-I69 WeakPolarHBondContact O-CG1 3.45Å; Q65-I69 PolarHBondContact O-N 3.31Å; Q65-T105 PolarHBondContact OE1-OG1 3.25Å; Q65-C106 HydrophobicContact CB-CB 4.11Å |
| 66 | N | 91.6 | Very high | 89.8 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | -178.5 | -76.8 | -31.1 | 0 | 0 | 0 | 112.6 | A62 T64 I68 I69 D70 C106 D107 | A62-N66 WeakPolarHBondContact O-CB 3.47Å; A62-N66 PolarHBondContact O-N 3.49Å; A62-N66 PolarHBondContact O-ND2 2.83Å; T64-N66 PolarHBondContact O-N 3.25Å; N66-I68 VanDerWaalsContact C-N 3.35Å; N66-I69 PolarHBondContact O-N 3.39Å; N66-D70 VanDerWaalsContact O-CG 3.25Å; N66-D70 PolarHBondContact O-N 2.95Å; N66-C106 WeakPolarHBondContact OD1-CA 3.44Å; N66-C106 WeakPolarHBondContact OD1-CB 3.44Å; N66-D107 PolarHBondContact OD1-N 3.24Å |
| 67 | V | 92.4 | Very high | 89.4 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.4 | -30.3 | -180 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | P23 I26 A63 T64 Q65 D70 L71 | P23-V67 HydrophobicContact CB-CB 4.39Å; P23-V67 HydrophobicContact CB-CG1 4.2Å; P23-V67 HydrophobicContact CB-CG2 4.28Å; P23-V67 HydrophobicContact CG-CG1 4.12Å; I26-V67 HydrophobicContact CB-CG2 3.81Å; I26-V67 HydrophobicContact CD1-CG1 4.11Å; I26-V67 HydrophobicContact CD1-CG2 4.41Å; I26-V67 HydrophobicContact CG2-CG2 3.64Å; A63-V67 PolarHBondContact O-N 2.75Å; A63-V67 VanDerWaalsContact O-N 3.15Å; T64-V67 WeakPolarHBondContact O-CG1 3.45Å; T64-V67 PolarHBondContact O-N 2.87Å; Q65-V67 PolarHBondContact O-N 3.35Å; V67-D70 PolarHBondContact O-N 3.34Å; V67-L71 PolarHBondContact O-N 3Å |
| 68 | I | 93.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -39.5 | 171 | -67.5 | 167.9 | 0 | 0 | 0 | 110.3 | L22 I26 L51 A54 T64 Q65 N66 L71 I72 | L22-I68 HydrophobicContact CD2-CD1 4.45Å; L22-I68 HydrophobicContact CD2-CG1 4.47Å; I26-I68 HydrophobicContact CD1-CG1 4.46Å; L51-I68 HydrophobicContact CD1-CD1 4.05Å; L51-I68 HydrophobicContact CD1-CG1 4Å; A54-I68 HydrophobicContact CB-CD1 3.99Å; T64-I68 HydrophobicContact CG2-CD1 3.92Å; T64-I68 VanDerWaalsContact O-CG1 3.29Å; T64-I68 WeakPolarHBondContact O-CG1 3.4Å; T64-I68 PolarHBondContact O-N 3.49Å; T64-I68 VanDerWaalsContact O-N 3.13Å; Q65-I68 PolarHBondContact O-N 3.39Å; N66-I68 VanDerWaalsContact C-N 3.35Å; I68-L71 WeakPolarHBondContact O-CB 3.37Å; I68-L71 PolarHBondContact O-N 2.85Å; I68-I72 HydrophobicContact CG2-CD1 4.15Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 PolarHBondContact O-N 3.34Å |
| 69 | I | 93.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 173.5 | -68 | 167.3 | 0 | 0 | 0 | 110.8 | Q65 N66 L71 I72 I73 C106 K110 L111 A114 | Q65-I69 WeakPolarHBondContact O-CG1 3.45Å; Q65-I69 PolarHBondContact O-N 3.31Å; N66-I69 PolarHBondContact O-N 3.39Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.18Å; I69-I72 PolarHBondContact O-N 2.84Å; I69-I72 VanDerWaalsContact O-N 3.08Å; I69-I73 HydrophobicContact CG2-CD1 3.92Å; I69-I73 HydrophobicContact CG2-CG1 4.39Å; I69-I73 WeakPolarHBondContact O-CG1 3.39Å; I69-I73 PolarHBondContact O-N 3.32Å; I69-C106 HydrophobicContact CD1-CB 3.52Å; I69-C106 WeakPolarHBondContact CD1-SG 3.46Å; I69-K110 HydrophobicContact CG2-CB 4.09Å; I69-L111 HydrophobicContact CD1-CD1 4.3Å; I69-A114 HydrophobicContact CG2-CB 4.43Å |
| 70 | D | 92.8 | Very high | 87.7 | Confident | 43 Ų | 43 | 31.3 Ų | 31.3 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 175.2 | -69.5 | -28.7 | 0 | 0 | 0 | 111.2 | I30 N66 V67 I73 F74 K110 | I30-D70 HydrophobicContact CD1-CB 4.17Å; N66-D70 VanDerWaalsContact O-CG 3.25Å; N66-D70 PolarHBondContact O-N 2.95Å; V67-D70 PolarHBondContact O-N 3.34Å; D70-I73 PolarHBondContact O-N 3.32Å; D70-F74 WeakPolarHBondContact O-CB 3.36Å; D70-F74 PolarHBondContact O-N 3.45Å; D70-K110 WeakPolarHBondContact OD1-CD 3.17Å; D70-K110 WeakPolarHBondContact OD1-CE 3.39Å; D70-K110 IonicContact OD1-NZ 3.61Å; D70-K110 PolarHBondContact OD1-NZ 2.77Å; D70-K110 IonicContact OD2-NZ 2.81Å; D70-K110 PolarHBondContact OD2-NZ 3.05Å |
| 71 | L | 92.2 | Very high | 87.2 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 171.1 | -177.6 | 64.1 | 0 | 0 | 0 | 111.5 | F3 V6 I26 Y29 L51 V67 I68 I69 I73 F74 L75 | F3-L71 HydrophobicContact CE2-CD1 4.33Å; F3-L71 HydrophobicContact CE2-CD2 4.42Å; V6-L71 HydrophobicContact CG1-CD2 4.33Å; I26-L71 HydrophobicContact CD1-CD2 4.21Å; I26-L71 HydrophobicContact CG1-CD2 4.46Å; I26-L71 HydrophobicContact CG2-CB 3.89Å; I26-L71 HydrophobicContact CG2-CD1 4.34Å; Y29-L71 HydrophobicContact CD1-CD1 3.95Å; Y29-L71 HydrophobicContact CE1-CD1 4.12Å; L51-L71 HydrophobicContact CD2-CD2 3.64Å; V67-L71 PolarHBondContact O-N 3Å; I68-L71 WeakPolarHBondContact O-CB 3.37Å; I68-L71 PolarHBondContact O-N 2.85Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.18Å; L71-I73 VanDerWaalsContact C-N 3.28Å; L71-I73 PolarHBondContact O-N 2.96Å; L71-F74 WeakPolarHBondContact O-CB 3.33Å; L71-F74 PolarHBondContact O-N 2.92Å; L71-L75 HydrophobicContact CD1-CD1 4.24Å; L71-L75 HydrophobicContact CD1-CD2 4.37Å; L71-L75 HydrophobicContact CD1-CG 4.09Å; L71-L75 HydrophobicContact CG-CD1 3.99Å; L71-L75 HydrophobicContact CG-CG 4.24Å; L71-L75 WeakPolarHBondContact O-CB 3.4Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 3.08Å |
| 72 | I | 93.1 | Very high | 87.1 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.1 | -39.5 | 179 | -70.9 | 167.1 | 0 | 0 | 0 | 111.6 | F56 I68 I69 G76 I91 Y118 | F56-I72 HydrophobicContact CE2-CD1 3.83Å; F56-I72 HydrophobicContact CZ-CD1 4.03Å; I68-I72 HydrophobicContact CG2-CD1 4.15Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 PolarHBondContact O-N 3.34Å; I69-I72 PolarHBondContact O-N 2.84Å; I69-I72 VanDerWaalsContact O-N 3.08Å; I72-G76 PolarHBondContact O-N 2.88Å; I72-I91 HydrophobicContact CD1-CD1 4.27Å; I72-I91 HydrophobicContact CG2-CG1 4.45Å; I72-Y118 HydrophobicContact CG2-CD2 4.34Å; I72-Y118 HydrophobicContact CG2-CE2 3.44Å; I72-Y118 VanDerWaalsContact CG2-CE2 3.44Å; I72-Y118 PolarHBondContact O-OH 3.1Å |
| 73 | I | 91.9 | Very high | 86.5 | Confident | 32 Ų | 32 | 25 Ų | 25 | 16% | 0.164 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -49.6 | 174.9 | -68 | 168.8 | 0 | 0 | 0 | 110.1 | I69 D70 L71 L75 G76 N77 A114 L117 | I69-I73 HydrophobicContact CG2-CD1 3.92Å; I69-I73 HydrophobicContact CG2-CG1 4.39Å; I69-I73 WeakPolarHBondContact O-CG1 3.39Å; I69-I73 PolarHBondContact O-N 3.32Å; D70-I73 PolarHBondContact O-N 3.32Å; L71-I73 VanDerWaalsContact C-N 3.28Å; L71-I73 PolarHBondContact O-N 2.96Å; I73-L75 VanDerWaalsContact C-N 3.29Å; I73-L75 PolarHBondContact O-N 2.88Å; I73-G76 PolarHBondContact O-N 3.09Å; I73-G76 VanDerWaalsContact O-N 3.09Å; I73-N77 PolarHBondContact O-N 3.39Å; I73-N77 PolarHBondContact O-ND2 3.49Å; I73-A114 HydrophobicContact CD1-CB 4.27Å; I73-A114 HydrophobicContact CG1-CB 3.79Å; I73-L117 HydrophobicContact CG2-CD2 4.36Å; I73-L117 WeakPolarHBondContact O-CD2 3.36Å |
| 74 | F | 90 | Very high | 85.9 | Confident | 62 Ų | 62 | 22.6 Ų | 22.6 | 27% | 0.272 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -55.7 | -45.7 | 177.8 | 174.8 | -99.4 | 0 | 0 | 0 | 111.8 | Y29 I30 D70 L71 N77 | Y29-F74 HydrophobicContact CD1-CD1 4.47Å; Y29-F74 HydrophobicContact CD1-CE1 4.15Å; Y29-F74 HydrophobicContact CE1-CD1 4.04Å; Y29-F74 AromaticContact CE1-CE1 3.56Å; Y29-F74 HydrophobicContact CE1-CE1 3.56Å; I30-F74 HydrophobicContact CB-CD2 4.26Å; I30-F74 HydrophobicContact CB-CG 4.4Å; I30-F74 HydrophobicContact CD1-CB 4.28Å; I30-F74 HydrophobicContact CG1-CB 4Å; I30-F74 HydrophobicContact CG1-CD1 4.17Å; I30-F74 HydrophobicContact CG1-CD2 4.24Å; I30-F74 HydrophobicContact CG1-CG 3.88Å; I30-F74 HydrophobicContact CG2-CB 4.48Å; I30-F74 HydrophobicContact CG2-CD2 3.75Å; I30-F74 HydrophobicContact CG2-CE2 4.22Å; I30-F74 HydrophobicContact CG2-CG 4.21Å; I30-F74 WeakPolarHBondContact O-CE2 3.49Å; D70-F74 WeakPolarHBondContact O-CB 3.36Å; D70-F74 PolarHBondContact O-N 3.45Å; L71-F74 WeakPolarHBondContact O-CB 3.33Å; L71-F74 PolarHBondContact O-N 2.92Å; F74-N77 PolarHBondContact O-N 3.36Å |
| 75 | L | 88 | Confident | 85.8 | Confident | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 176.8 | -66.6 | -178.4 | 0 | 0 | 0 | 111.8 | F3 Y29 I37 L71 I73 N77 N78 T81 L85 | F3-L75 HydrophobicContact CE2-CD1 4.3Å; F3-L75 HydrophobicContact CE2-CD2 4.39Å; F3-L75 HydrophobicContact CZ-CD1 4.37Å; Y29-L75 HydrophobicContact CE1-CD2 4.46Å; I37-L75 HydrophobicContact CD1-CB 4.37Å; I37-L75 HydrophobicContact CD1-CD1 3.69Å; I37-L75 HydrophobicContact CD1-CD2 3.39Å; I37-L75 HydrophobicContact CD1-CG 3.96Å; I37-L75 HydrophobicContact CG1-CD2 3.51Å; L71-L75 HydrophobicContact CD1-CD1 4.24Å; L71-L75 HydrophobicContact CD1-CD2 4.37Å; L71-L75 HydrophobicContact CD1-CG 4.09Å; L71-L75 HydrophobicContact CG-CD1 3.99Å; L71-L75 HydrophobicContact CG-CG 4.24Å; L71-L75 WeakPolarHBondContact O-CB 3.4Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 3.08Å; I73-L75 VanDerWaalsContact C-N 3.29Å; I73-L75 PolarHBondContact O-N 2.88Å; L75-N77 VanDerWaalsContact C-N 3.31Å; L75-N77 PolarHBondContact O-N 3.35Å; L75-N78 PolarHBondContact O-N 2.94Å; L75-T81 HydrophobicContact CB-CG2 3.76Å; L75-T81 HydrophobicContact CD2-CG2 4.37Å; L75-T81 WeakPolarHBondContact O-CB 3.33Å; L75-T81 WeakPolarHBondContact O-CG2 3.43Å; L75-L85 HydrophobicContact CB-CD1 3.85Å; L75-L85 HydrophobicContact CD1-CD1 4.31Å |
| 76 | G | 86.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.1 | -21.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I72 I73 N78 R82 Y118 | I72-G76 PolarHBondContact O-N 2.88Å; I73-G76 PolarHBondContact O-N 3.09Å; I73-G76 VanDerWaalsContact O-N 3.09Å; G76-N78 PolarHBondContact O-N 3.05Å; G76-R82 WeakPolarHBondContact O-CB 3.36Å; G76-Y118 VanDerWaalsContact CA-OH 3.3Å; G76-Y118 WeakPolarHBondContact CA-OH 3.39Å; G76-Y118 PolarHBondContact N-OH 2.84Å |
| 77 | N | 83.1 | Confident | 84.7 | Confident | 99 Ų | 99 | 22.7 Ų | 22.7 | 53% | 0.529 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.1 | 176.9 | -72.9 | -28.1 | 0 | 0 | 0 | 112.3 | I73 F74 L75 | I73-N77 PolarHBondContact O-N 3.39Å; I73-N77 PolarHBondContact O-ND2 3.49Å; F74-N77 PolarHBondContact O-N 3.36Å; L75-N77 VanDerWaalsContact C-N 3.31Å; L75-N77 PolarHBondContact O-N 3.35Å |
| 78 | N | 76.8 | Confident | 83.9 | Confident | 70 Ų | 70 | 25.5 Ų | 25.5 | 37% | 0.374 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -86.3 | 117.3 | 169.3 | -177.6 | -72.7 | 0 | 0 | 0 | 109.3 | L75 G76 Q80 T81 R82 | L75-N78 PolarHBondContact O-N 2.94Å; G76-N78 PolarHBondContact O-N 3.05Å; N78-Q80 VanDerWaalsContact C-N 3.28Å; N78-Q80 PolarHBondContact O-N 3.34Å; N78-Q80 VanDerWaalsContact OD1-CB 3.29Å; N78-Q80 WeakPolarHBondContact OD1-CB 3.5Å; N78-Q80 PolarHBondContact OD1-N 3.19Å; N78-Q80 VanDerWaalsContact OD1-N 3.08Å; N78-T81 PolarHBondContact O-N 2.86Å; N78-T81 PolarHBondContact OD1-N 3.3Å; N78-T81 PolarHBondContact OD1-OG1 3.39Å; N78-R82 WeakPolarHBondContact O-CB 3.4Å; N78-R82 PolarHBondContact O-N 2.99Å |
| 79 | I | 75 | Confident | 83.4 | Confident | 21 Ų | 21 | 26.1 Ų | 26.1 | 11% | 0.108 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59 | -36.7 | -175.1 | -166.4 | 162.4 | 0 | 0 | 0 | 113.5 | R82 Y83 L355 F669 | I79-R82 PolarHBondContact O-N 3.23Å; I79-Y83 PolarHBondContact O-N 3.07Å; I79-L355 HydrophobicContact CD1-CD2 4.13Å; I79-L355 HydrophobicContact CG2-CD2 3.74Å; I79-F669 HydrophobicContact CD1-CE2 4.44Å; I79-F669 HydrophobicContact CD1-CZ 4.14Å; I79-F669 HydrophobicContact CG1-CE2 4.1Å; I79-F669 HydrophobicContact CG1-CZ 3.86Å; I79-F669 HydrophobicContact CG2-CZ 4.06Å |
| 80 | Q | 70.5 | Confident | 83.1 | Confident | 55 Ų | 55 | 28.4 Ų | 28.4 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.2 | -55.1 | 176.9 | 179.5 | 70.2 | -5.3 | 0 | 0 | 109.1 | N78 R82 Y83 Q84 | N78-Q80 VanDerWaalsContact C-N 3.28Å; N78-Q80 PolarHBondContact O-N 3.34Å; N78-Q80 VanDerWaalsContact OD1-CB 3.29Å; N78-Q80 WeakPolarHBondContact OD1-CB 3.5Å; N78-Q80 PolarHBondContact OD1-N 3.19Å; N78-Q80 VanDerWaalsContact OD1-N 3.08Å; Q80-R82 VanDerWaalsContact C-N 3.28Å; Q80-R82 PolarHBondContact O-N 2.76Å; Q80-Y83 WeakPolarHBondContact O-CB 3.46Å; Q80-Y83 PolarHBondContact O-N 3.43Å; Q80-Y83 VanDerWaalsContact O-N 3.16Å; Q80-Q84 VanDerWaalsContact O-CG 3.24Å; Q80-Q84 WeakPolarHBondContact O-CG 3.42Å; Q80-Q84 PolarHBondContact O-N 3.01Å |
| 81 | T | 77.4 | Confident | 83.1 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.4 | -40.1 | 177 | -58 | 0 | 0 | 0 | 0 | 112.7 | I37 L75 N78 Q84 L85 | I37-T81 HydrophobicContact CD1-CG2 3.28Å; I37-T81 HydrophobicContact CG1-CG2 3.79Å; L75-T81 HydrophobicContact CB-CG2 3.76Å; L75-T81 HydrophobicContact CD2-CG2 4.37Å; L75-T81 WeakPolarHBondContact O-CB 3.33Å; L75-T81 WeakPolarHBondContact O-CG2 3.43Å; N78-T81 PolarHBondContact O-N 2.86Å; N78-T81 PolarHBondContact OD1-N 3.3Å; N78-T81 PolarHBondContact OD1-OG1 3.39Å; T81-Q84 WeakPolarHBondContact O-CB 3.39Å; T81-Q84 PolarHBondContact O-N 3Å; T81-L85 HydrophobicContact CG2-CD1 4.02Å; T81-L85 WeakPolarHBondContact O-CG 3.32Å; T81-L85 PolarHBondContact O-N 3.14Å |
| 82 | R | 84 | Confident | 83 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -49.7 | 175.5 | 178.7 | 170.1 | 56.7 | -175.9 | -7 | 111.5 | G76 N78 I79 Q80 Q84 L85 L86 L117 Y118 E120 N121 | G76-R82 WeakPolarHBondContact O-CB 3.36Å; N78-R82 WeakPolarHBondContact O-CB 3.4Å; N78-R82 PolarHBondContact O-N 2.99Å; I79-R82 PolarHBondContact O-N 3.23Å; Q80-R82 VanDerWaalsContact C-N 3.28Å; Q80-R82 PolarHBondContact O-N 2.76Å; R82-Q84 PolarHBondContact O-N 3.02Å; R82-L85 PolarHBondContact O-N 2.98Å; R82-L86 HydrophobicContact CG-CD1 4.03Å; R82-L86 HydrophobicContact CG-CG 4.5Å; R82-L86 VanDerWaalsContact O-CG 3.28Å; R82-L86 WeakPolarHBondContact O-CG 3.37Å; R82-L86 PolarHBondContact O-N 3.5Å; R82-L117 WeakPolarHBondContact CD-O 3.47Å; R82-L117 PolarHBondContact NH1-O 3.47Å; R82-Y118 HydrophobicContact CB-CE1 4.42Å; R82-Y118 HydrophobicContact CG-CD1 3.86Å; R82-Y118 HydrophobicContact CG-CE1 3.89Å; R82-E120 IonicContact CZ-OE2 2.92Å; R82-E120 IonicContact NH1-OE1 3.47Å; R82-E120 IonicContact NH1-OE2 3.74Å; R82-E120 PolarHBondContact NH1-OE2 3.41Å; R82-N121 PolarHBondContact NH2-ND2 3.3Å |
| 83 | Y | 76.9 | Confident | 83 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.7 | -42.6 | 175.5 | 179.3 | -94.7 | 0 | 0 | 0 | 111.1 | I79 Q80 L85 L86 T87 L125 V127 T667 F669 | I79-Y83 PolarHBondContact O-N 3.07Å; Q80-Y83 WeakPolarHBondContact O-CB 3.46Å; Q80-Y83 PolarHBondContact O-N 3.43Å; Q80-Y83 VanDerWaalsContact O-N 3.16Å; Y83-L85 PolarHBondContact O-N 3.34Å; Y83-L86 WeakPolarHBondContact O-CB 3.43Å; Y83-L86 PolarHBondContact O-N 3.39Å; Y83-T87 HydrophobicContact CD1-CG2 4.36Å; Y83-T87 HydrophobicContact CD2-CG2 4.28Å; Y83-T87 HydrophobicContact CE1-CG2 3.93Å; Y83-T87 HydrophobicContact CE2-CG2 3.87Å; Y83-T87 PolarHBondContact O-N 3.08Å; Y83-T87 PolarHBondContact O-OG1 3Å; Y83-L125 HydrophobicContact CD2-CB 4.17Å; Y83-L125 HydrophobicContact CD2-CD1 4.29Å; Y83-L125 HydrophobicContact CD2-CD2 4.02Å; Y83-L125 HydrophobicContact CD2-CG 4.38Å; Y83-L125 HydrophobicContact CE2-CB 4.41Å; Y83-V127 HydrophobicContact CD2-CG2 4.43Å; Y83-V127 HydrophobicContact CE2-CG2 4.26Å; Y83-T667 PolarHBondContact OH-O 3.39Å; Y83-T667 VanDerWaalsContact OH-O 3.07Å; Y83-F669 HydrophobicContact CD1-CB 3.69Å; Y83-F669 HydrophobicContact CD1-CD2 4.26Å; Y83-F669 HydrophobicContact CD1-CG 4.24Å; Y83-F669 HydrophobicContact CD2-CB 4.29Å; Y83-F669 AromaticContact CD2-CD2 3.65Å; Y83-F669 HydrophobicContact CD2-CD2 3.65Å; Y83-F669 HydrophobicContact CD2-CG 4.38Å; Y83-F669 HydrophobicContact CE1-CB 3.68Å; Y83-F669 HydrophobicContact CE2-CB 4.26Å; Y83-F669 HydrophobicContact CE2-CD2 4.18Å; Y83-F669 HydrophobicContact CG-CB 3.99Å; Y83-F669 AromaticContact CG-CD2 3.66Å; Y83-F669 HydrophobicContact CG-CD2 3.66Å; Y83-F669 HydrophobicContact CG-CG 4.1Å |
| 84 | Q | 75 | Confident | 83 | Confident | 13 Ų | 13 | 30.8 Ų | 30.8 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 177.4 | -61.2 | 175.4 | -14.4 | 0 | 0 | 112.4 | Q80 T81 R82 L86 T87 Y88 W412 | Q80-Q84 VanDerWaalsContact O-CG 3.24Å; Q80-Q84 WeakPolarHBondContact O-CG 3.42Å; Q80-Q84 PolarHBondContact O-N 3.01Å; T81-Q84 WeakPolarHBondContact O-CB 3.39Å; T81-Q84 PolarHBondContact O-N 3Å; R82-Q84 PolarHBondContact O-N 3.02Å; Q84-L86 VanDerWaalsContact C-N 3.29Å; Q84-L86 PolarHBondContact O-N 3.49Å; Q84-T87 PolarHBondContact O-N 3.07Å; Q84-Y88 HydrophobicContact CB-CD2 4.25Å; Q84-Y88 WeakPolarHBondContact O-CB 3.49Å; Q84-Y88 VanDerWaalsContact O-CD2 3.25Å; Q84-Y88 WeakPolarHBondContact O-CD2 3.4Å; Q84-Y88 PolarHBondContact O-N 2.9Å; Q84-W412 HydrophobicContact CB-CH2 3.51Å; Q84-W412 HydrophobicContact CB-CZ2 4.39Å; Q84-W412 HydrophobicContact CB-CZ3 3.88Å; Q84-W412 HydrophobicContact CG-CE3 3.97Å; Q84-W412 HydrophobicContact CG-CH2 3.41Å; Q84-W412 VanDerWaalsContact CG-CH2 3.41Å; Q84-W412 HydrophobicContact CG-CZ2 4.42Å; Q84-W412 HydrophobicContact CG-CZ3 3.2Å; Q84-W412 VanDerWaalsContact NE2-CZ3 3.28Å |
| 85 | L | 86 | Confident | 83.1 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -34.8 | 178.9 | -72.1 | 170 | 0 | 0 | 0 | 111.9 | L48 I52 L75 T81 R82 Y83 F89 S90 I91 Y118 | L48-L85 HydrophobicContact CD2-CD2 4.3Å; I52-L85 HydrophobicContact CD1-CD2 3.78Å; L75-L85 HydrophobicContact CB-CD1 3.85Å; L75-L85 HydrophobicContact CD1-CD1 4.31Å; T81-L85 HydrophobicContact CG2-CD1 4.02Å; T81-L85 WeakPolarHBondContact O-CG 3.32Å; T81-L85 PolarHBondContact O-N 3.14Å; R82-L85 PolarHBondContact O-N 2.98Å; Y83-L85 PolarHBondContact O-N 3.34Å; L85-F89 HydrophobicContact CD2-CB 4.27Å; L85-F89 HydrophobicContact CD2-CD2 3.78Å; L85-F89 HydrophobicContact CD2-CE2 4.32Å; L85-F89 HydrophobicContact CD2-CG 4.05Å; L85-F89 CarbonylContact O-C 3.53Å; L85-F89 WeakPolarHBondContact O-CB 3.45Å; L85-F89 PolarHBondContact O-N 3.22Å; L85-S90 PolarHBondContact O-N 3.39Å; L85-I91 HydrophobicContact CB-CB 4.22Å; L85-I91 HydrophobicContact CB-CG2 3.99Å; L85-I91 WeakPolarHBondContact O-CB 3.12Å; L85-I91 WeakPolarHBondContact O-CG2 3.43Å; L85-I91 PolarHBondContact O-N 3.25Å; L85-I91 VanDerWaalsContact O-N 3.14Å; L85-Y118 HydrophobicContact CB-CE1 3.79Å; L85-Y118 HydrophobicContact CD1-CE1 4.19Å; L85-Y118 WeakPolarHBondContact CD1-OH 3.46Å |
| 86 | L | 85.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -50.1 | 173.1 | -72 | 169.9 | 0 | 0 | 0 | 112.4 | R82 Y83 Q84 S90 I91 L92 Y118 L122 L125 V127 | R82-L86 HydrophobicContact CG-CD1 4.03Å; R82-L86 HydrophobicContact CG-CG 4.5Å; R82-L86 VanDerWaalsContact O-CG 3.28Å; R82-L86 WeakPolarHBondContact O-CG 3.37Å; R82-L86 PolarHBondContact O-N 3.5Å; Y83-L86 WeakPolarHBondContact O-CB 3.43Å; Y83-L86 PolarHBondContact O-N 3.39Å; Q84-L86 VanDerWaalsContact C-N 3.29Å; Q84-L86 PolarHBondContact O-N 3.49Å; L86-S90 WeakPolarHBondContact O-CA 3.35Å; L86-I91 HydrophobicContact CD2-CG2 3.92Å; L86-I91 HydrophobicContact CG-CG2 4.33Å; L86-L92 HydrophobicContact CD2-CD1 3.73Å; L86-L92 HydrophobicContact CD2-CD2 4.12Å; L86-L92 HydrophobicContact CD2-CG 3.53Å; L86-Y118 HydrophobicContact CD2-CD1 3.91Å; L86-Y118 HydrophobicContact CG-CD1 3.98Å; L86-L122 HydrophobicContact CD1-CD2 3.63Å; L86-L122 HydrophobicContact CD2-CD2 3.84Å; L86-L122 HydrophobicContact CG-CD2 4.34Å; L86-L125 HydrophobicContact CD1-CD1 3.67Å; L86-V127 HydrophobicContact CB-CG1 4.33Å; L86-V127 HydrophobicContact CB-CG2 4.3Å; L86-V127 HydrophobicContact CD1-CG2 4.49Å |
| 87 | T | 74.2 | Confident | 83.5 | Confident | 35 Ų | 35 | 33.9 Ų | 33.9 | 22% | 0.215 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -86.1 | -37.6 | -170.4 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | Y83 Q84 V127 | Y83-T87 HydrophobicContact CD1-CG2 4.36Å; Y83-T87 HydrophobicContact CD2-CG2 4.28Å; Y83-T87 HydrophobicContact CE1-CG2 3.93Å; Y83-T87 HydrophobicContact CE2-CG2 3.87Å; Y83-T87 PolarHBondContact O-N 3.08Å; Y83-T87 PolarHBondContact O-OG1 3Å; Q84-T87 PolarHBondContact O-N 3.07Å; T87-V127 HydrophobicContact CG2-CG2 4.02Å |
| 88 | Y | 75.3 | Confident | 83.8 | Confident | 64 Ų | 64 | 29.4 Ų | 29.4 | 25% | 0.251 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -96.5 | -33.3 | -174.4 | -59.4 | -82.4 | 0 | 0 | 0 | 112.9 | Q84 Y411 W412 K666 | Q84-Y88 HydrophobicContact CB-CD2 4.25Å; Q84-Y88 WeakPolarHBondContact O-CB 3.49Å; Q84-Y88 VanDerWaalsContact O-CD2 3.25Å; Q84-Y88 WeakPolarHBondContact O-CD2 3.4Å; Q84-Y88 PolarHBondContact O-N 2.9Å; Y88-Y411 HydrophobicContact CE1-CD1 4.3Å; Y88-Y411 AromaticContact CE1-CE1 3.67Å; Y88-Y411 HydrophobicContact CE1-CE1 3.67Å; Y88-Y411 HydrophobicContact CE2-CE1 4.16Å; Y88-Y411 AromaticContact CZ-CE1 3.31Å; Y88-Y411 AromaticContact CZ-CZ 3.82Å; Y88-Y411 WeakPolarHBondContact OH-CE1 3.47Å; Y88-Y411 PolarHBondContact OH-OH 2.83Å; Y88-W412 AromaticContact CD2-CH2 3.34Å; Y88-W412 HydrophobicContact CD2-CH2 3.34Å; Y88-W412 HydrophobicContact CD2-CZ2 4.31Å; Y88-W412 AromaticContact CD2-CZ3 3.97Å; Y88-W412 HydrophobicContact CD2-CZ3 3.97Å; Y88-W412 AromaticContact CE2-CH2 3.51Å; Y88-W412 HydrophobicContact CE2-CH2 3.51Å; Y88-W412 AromaticContact CE2-CZ3 3.63Å; Y88-W412 HydrophobicContact CE2-CZ3 3.63Å; Y88-W412 AromaticContact CG-CH2 4Å; Y88-W412 HydrophobicContact CG-CH2 4Å; Y88-K666 HydrophobicContact CE1-CD 4.45Å |
| 89 | F | 84.3 | Confident | 84.5 | Confident | 15 Ų | 15 | 26.5 Ų | 26.5 | 7% | 0.066 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -104.8 | -3.9 | -176.5 | -62.1 | -92.3 | 0 | 0 | 0 | 112.9 | L39 V45 L48 N49 I52 L85 I91 | L39-F89 HydrophobicContact CD1-CE2 4.28Å; L39-F89 HydrophobicContact CD1-CZ 3.99Å; V45-F89 HydrophobicContact CG1-CE1 3.97Å; V45-F89 HydrophobicContact CG1-CZ 3.85Å; V45-F89 WeakPolarHBondContact O-CE1 3.39Å; L48-F89 HydrophobicContact CB-CE1 4.01Å; L48-F89 HydrophobicContact CB-CZ 4.26Å; L48-F89 HydrophobicContact CD2-CE1 3.97Å; L48-F89 HydrophobicContact CD2-CE2 4.03Å; L48-F89 HydrophobicContact CD2-CZ 3.58Å; L48-F89 HydrophobicContact CG-CD1 4.45Å; L48-F89 HydrophobicContact CG-CE1 3.84Å; L48-F89 HydrophobicContact CG-CZ 4Å; N49-F89 HydrophobicContact CB-CD1 4.02Å; N49-F89 HydrophobicContact CB-CE1 4.07Å; I52-F89 HydrophobicContact CD1-CB 4.09Å; I52-F89 HydrophobicContact CD1-CD1 3.85Å; I52-F89 HydrophobicContact CD1-CG 4.06Å; L85-F89 HydrophobicContact CD2-CB 4.27Å; L85-F89 HydrophobicContact CD2-CD2 3.78Å; L85-F89 HydrophobicContact CD2-CE2 4.32Å; L85-F89 HydrophobicContact CD2-CG 4.05Å; L85-F89 CarbonylContact O-C 3.53Å; L85-F89 WeakPolarHBondContact O-CB 3.45Å; L85-F89 PolarHBondContact O-N 3.22Å; F89-I91 PolarHBondContact O-N 2.98Å; F89-I91 VanDerWaalsContact O-N 3.13Å |
| 90 | S | 87.3 | Confident | 85.2 | Confident | 50 Ų | 50 | 28.5 Ų | 28.5 | 35% | 0.35 | 14% | 0.139 | S | C | . | . | trans | 50 | 36.9 | -177.8 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | L85 L86 L92 K93 P94 | L85-S90 PolarHBondContact O-N 3.39Å; L86-S90 WeakPolarHBondContact O-CA 3.35Å; S90-L92 PolarHBondContact O-N 3.43Å; S90-K93 WeakPolarHBondContact O-CB 3.31Å; S90-K93 PolarHBondContact O-N 3.32Å; S90-P94 VanDerWaalsContact O-CD 3.28Å; S90-P94 WeakPolarHBondContact O-CD 3.34Å | ||
| 91 | I | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -23.9 | -168.4 | -167.8 | 66 | 0 | 0 | 0 | 114.3 | I52 I72 L85 L86 F89 K93 P94 L95 Y118 | I52-I91 HydrophobicContact CB-CD1 4.47Å; I52-I91 HydrophobicContact CD1-CD1 4.15Å; I52-I91 HydrophobicContact CG1-CD1 4.21Å; I52-I91 HydrophobicContact CG2-CD1 3.41Å; I52-I91 VanDerWaalsContact CG2-CD1 3.41Å; I72-I91 HydrophobicContact CD1-CD1 4.27Å; I72-I91 HydrophobicContact CG2-CG1 4.45Å; L85-I91 HydrophobicContact CB-CB 4.22Å; L85-I91 HydrophobicContact CB-CG2 3.99Å; L85-I91 WeakPolarHBondContact O-CB 3.12Å; L85-I91 WeakPolarHBondContact O-CG2 3.43Å; L85-I91 PolarHBondContact O-N 3.25Å; L85-I91 VanDerWaalsContact O-N 3.14Å; L86-I91 HydrophobicContact CD2-CG2 3.92Å; L86-I91 HydrophobicContact CG-CG2 4.33Å; F89-I91 PolarHBondContact O-N 2.98Å; F89-I91 VanDerWaalsContact O-N 3.13Å; I91-K93 VanDerWaalsContact C-N 3.27Å; I91-K93 PolarHBondContact O-N 3.11Å; I91-P94 HydrophobicContact CD1-CG 4.19Å; I91-P94 WeakPolarHBondContact O-CD 3.36Å; I91-P94 VanDerWaalsContact O-CG 3.27Å; I91-P94 WeakPolarHBondContact O-CG 3.4Å; I91-L95 HydrophobicContact CG1-CD1 3.87Å; I91-L95 HydrophobicContact CG1-CG 4.23Å; I91-L95 HydrophobicContact CG2-CD1 4.49Å; I91-L95 WeakPolarHBondContact O-CB 3.43Å; I91-L95 VanDerWaalsContact O-CG 3.32Å; I91-L95 WeakPolarHBondContact O-CG 3.07Å; I91-L95 PolarHBondContact O-N 3.38Å; I91-L95 VanDerWaalsContact O-N 3.11Å; I91-Y118 HydrophobicContact CG1-CE1 4.34Å; I91-Y118 HydrophobicContact CG2-CD1 3.35Å; I91-Y118 HydrophobicContact CG2-CE1 3.56Å; I91-Y118 HydrophobicContact CG2-CG 4.06Å |
| 92 | L | 91.5 | Very high | 86.2 | Confident | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.073 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59 | -36.6 | 173.3 | -74.4 | 171.9 | 0 | 0 | 0 | 112.8 | L86 S90 I96 L115 T119 L122 L133 | L86-L92 HydrophobicContact CD2-CD1 3.73Å; L86-L92 HydrophobicContact CD2-CD2 4.12Å; L86-L92 HydrophobicContact CD2-CG 3.53Å; S90-L92 PolarHBondContact O-N 3.43Å; L92-I96 HydrophobicContact CB-CD1 4.39Å; L92-I96 VanDerWaalsContact O-CB 3.3Å; L92-I96 WeakPolarHBondContact O-CB 3.42Å; L92-I96 WeakPolarHBondContact O-CD1 3.41Å; L92-I96 WeakPolarHBondContact O-CG1 3.44Å; L92-I96 PolarHBondContact O-N 3.06Å; L92-L115 HydrophobicContact CD2-CD1 4.11Å; L92-T119 HydrophobicContact CD2-CG2 4.09Å; L92-L122 HydrophobicContact CD1-CD1 3.75Å; L92-L122 HydrophobicContact CD1-CD2 4.06Å; L92-L122 HydrophobicContact CD2-CD1 4.3Å; L92-L133 HydrophobicContact CB-CD2 4.39Å |
| 93 | K | 91.4 | Very high | 86 | Confident | 89 Ų | 89 | 35.3 Ų | 35.3 | 39% | 0.387 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.6 | -57.5 | 179.3 | -72.6 | -177.8 | 178.1 | -176.2 | 0 | 112 | S90 I91 I96 Y97 E130 L133 | S90-K93 WeakPolarHBondContact O-CB 3.31Å; S90-K93 PolarHBondContact O-N 3.32Å; I91-K93 VanDerWaalsContact C-N 3.27Å; I91-K93 PolarHBondContact O-N 3.11Å; K93-I96 PolarHBondContact O-N 3.44Å; K93-Y97 WeakPolarHBondContact O-CB 3.36Å; K93-Y97 PolarHBondContact O-N 3.11Å; K93-E130 VanDerWaalsContact CE-CD 3.47Å; K93-E130 WeakPolarHBondContact CE-OE1 3.47Å; K93-E130 WeakPolarHBondContact CE-OE2 3.38Å; K93-E130 IonicContact NZ-OE1 3.17Å; K93-E130 PolarHBondContact NZ-OE1 3.39Å; K93-E130 IonicContact NZ-OE2 2.76Å; K93-E130 PolarHBondContact NZ-OE2 3.46Å; K93-L133 HydrophobicContact CG-CD1 4.49Å; K93-L133 HydrophobicContact CG-CD2 3.75Å |
| 94 | P | 92 | Very high | 86.3 | Confident | 29 Ų | 29 | 35.5 Ų | 35.5 | 19% | 0.188 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -36.4 | 178.1 | 24.2 | -33.2 | 0 | 0 | 0 | 112.8 | I52 F56 S90 I91 Y97 G98 | I52-P94 HydrophobicContact CG2-CG 4.21Å; F56-P94 VanDerWaalsContact CD1-O 3.23Å; F56-P94 WeakPolarHBondContact CD1-O 3.47Å; F56-P94 HydrophobicContact CD2-CB 3.53Å; F56-P94 HydrophobicContact CD2-CG 4.47Å; F56-P94 WeakPolarHBondContact CE1-O 3.49Å; F56-P94 HydrophobicContact CE2-CB 3.77Å; F56-P94 HydrophobicContact CE2-CG 4.34Å; F56-P94 HydrophobicContact CG-CB 3.93Å; F56-P94 HydrophobicContact CZ-CB 4.36Å; S90-P94 VanDerWaalsContact O-CD 3.28Å; S90-P94 WeakPolarHBondContact O-CD 3.34Å; I91-P94 HydrophobicContact CD1-CG 4.19Å; I91-P94 WeakPolarHBondContact O-CD 3.36Å; I91-P94 VanDerWaalsContact O-CG 3.27Å; I91-P94 WeakPolarHBondContact O-CG 3.4Å; P94-Y97 WeakPolarHBondContact O-CB 3.25Å; P94-Y97 PolarHBondContact O-N 3.05Å; P94-G98 PolarHBondContact O-N 3.38Å |
| 95 | L | 93.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 175.4 | -76.1 | 168.8 | 0 | 0 | 0 | 112.2 | F56 I91 Y97 G98 V99 L111 A114 L115 Y118 | F56-L95 HydrophobicContact CE1-CD2 4.17Å; F56-L95 HydrophobicContact CZ-CD2 3.74Å; F56-L95 HydrophobicContact CZ-CG 4.14Å; I91-L95 HydrophobicContact CG1-CD1 3.87Å; I91-L95 HydrophobicContact CG1-CG 4.23Å; I91-L95 HydrophobicContact CG2-CD1 4.49Å; I91-L95 WeakPolarHBondContact O-CB 3.43Å; I91-L95 VanDerWaalsContact O-CG 3.32Å; I91-L95 WeakPolarHBondContact O-CG 3.07Å; I91-L95 PolarHBondContact O-N 3.38Å; I91-L95 VanDerWaalsContact O-N 3.11Å; L95-Y97 VanDerWaalsContact C-N 3.32Å; L95-Y97 PolarHBondContact O-N 3.08Å; L95-G98 PolarHBondContact O-N 2.99Å; L95-V99 WeakPolarHBondContact O-CG2 3.32Å; L95-V99 PolarHBondContact O-N 3.31Å; L95-L111 HydrophobicContact CD2-CD1 3.83Å; L95-A114 HydrophobicContact CD2-CB 3.69Å; L95-L115 HydrophobicContact CB-CD1 4.16Å; L95-Y118 HydrophobicContact CD1-CD2 3.52Å; L95-Y118 HydrophobicContact CD1-CE2 4.29Å; L95-Y118 HydrophobicContact CD1-CG 3.69Å |
| 96 | I | 91.9 | Very high | 86.4 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 178.5 | -69.2 | 166.6 | 0 | 0 | 0 | 110.7 | L92 K93 V99 I100 L115 L133 A137 | L92-I96 HydrophobicContact CB-CD1 4.39Å; L92-I96 VanDerWaalsContact O-CB 3.3Å; L92-I96 WeakPolarHBondContact O-CB 3.42Å; L92-I96 WeakPolarHBondContact O-CD1 3.41Å; L92-I96 WeakPolarHBondContact O-CG1 3.44Å; L92-I96 PolarHBondContact O-N 3.06Å; K93-I96 PolarHBondContact O-N 3.44Å; I96-V99 PolarHBondContact O-N 3.28Å; I96-I100 HydrophobicContact CG2-CD1 3.61Å; I96-I100 HydrophobicContact CG2-CG1 4.49Å; I96-I100 WeakPolarHBondContact O-CD1 3.22Å; I96-I100 VanDerWaalsContact O-CG1 3.27Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 3.34Å; I96-L115 HydrophobicContact CD1-CD1 4.4Å; I96-L115 HydrophobicContact CG1-CD1 3.7Å; I96-L115 HydrophobicContact CG1-CD2 4.15Å; I96-L133 HydrophobicContact CB-CD1 3.9Å; I96-L133 HydrophobicContact CD1-CD1 3.74Å; I96-L133 HydrophobicContact CD1-CD2 3.88Å; I96-L133 HydrophobicContact CD1-CG 3.5Å; I96-L133 HydrophobicContact CG1-CD1 4.42Å; I96-L133 HydrophobicContact CG2-CD1 3.73Å; I96-A137 HydrophobicContact CD1-CB 3.95Å; I96-A137 HydrophobicContact CG1-CB 4.12Å; I96-A137 HydrophobicContact CG2-CB 4.12Å |
| 97 | Y | 91.3 | Very high | 86.6 | Confident | 125 Ų | 125 | 42.3 Ų | 42.3 | 49% | 0.49 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.6 | -49.3 | 173.4 | 173.7 | -101.5 | 0 | 0 | 0 | 111.7 | F56 K93 P94 L95 V99 I100 S101 I104 | F56-Y97 HydrophobicContact CB-CD1 4.48Å; K93-Y97 WeakPolarHBondContact O-CB 3.36Å; K93-Y97 PolarHBondContact O-N 3.11Å; P94-Y97 WeakPolarHBondContact O-CB 3.25Å; P94-Y97 PolarHBondContact O-N 3.05Å; L95-Y97 VanDerWaalsContact C-N 3.32Å; L95-Y97 PolarHBondContact O-N 3.08Å; Y97-V99 VanDerWaalsContact C-N 3.29Å; Y97-V99 PolarHBondContact O-N 3.33Å; Y97-I100 PolarHBondContact O-N 3.33Å; Y97-S101 VanDerWaalsContact O-CB 3.3Å; Y97-S101 WeakPolarHBondContact O-CB 3.44Å; Y97-S101 PolarHBondContact O-N 3.18Å; Y97-I104 HydrophobicContact CE1-CD1 4.49Å |
| 98 | G | 89.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P94 L95 I100 L111 | P94-G98 PolarHBondContact O-N 3.38Å; L95-G98 PolarHBondContact O-N 2.99Å; G98-I100 VanDerWaalsContact C-N 3.31Å; G98-I100 PolarHBondContact O-N 3.01Å; G98-L111 VanDerWaalsContact O-CD2 3.32Å; G98-L111 WeakPolarHBondContact O-CD2 3.49Å |
| 99 | V | 89.7 | Confident | 88 | Confident | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | -179.7 | 168 | 0 | 0 | 0 | 0 | 111.3 | L95 I96 Y97 L111 L112 L115 Y140 | L95-V99 WeakPolarHBondContact O-CG2 3.32Å; L95-V99 PolarHBondContact O-N 3.31Å; I96-V99 PolarHBondContact O-N 3.28Å; Y97-V99 VanDerWaalsContact C-N 3.29Å; Y97-V99 PolarHBondContact O-N 3.33Å; V99-L111 HydrophobicContact CB-CD2 4.4Å; V99-L111 HydrophobicContact CG2-CD1 4.38Å; V99-L111 HydrophobicContact CG2-CD2 3.82Å; V99-L111 HydrophobicContact CG2-CG 3.58Å; V99-L111 VanDerWaalsContact N-CD2 3.33Å; V99-L112 HydrophobicContact CG1-CD2 3.72Å; V99-L112 HydrophobicContact CG2-CD2 4.14Å; V99-L115 HydrophobicContact CB-CD2 4.37Å; V99-L115 HydrophobicContact CG1-CD2 4.41Å; V99-L115 HydrophobicContact CG2-CB 4.31Å; V99-L115 HydrophobicContact CG2-CD2 3.85Å; V99-Y140 HydrophobicContact CG1-CD1 3.48Å; V99-Y140 VanDerWaalsContact CG1-CD1 3.48Å; V99-Y140 HydrophobicContact CG1-CE1 3.27Å; V99-Y140 WeakPolarHBondContact O-CE1 3.39Å; V99-Y140 PolarHBondContact O-OH 3.15Å |
| 100 | I | 89.5 | Confident | 88.3 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -85.9 | -31 | -176.6 | -64.2 | 169.8 | 0 | 0 | 0 | 112 | I96 Y97 G98 R136 Y140 | I96-I100 HydrophobicContact CG2-CD1 3.61Å; I96-I100 HydrophobicContact CG2-CG1 4.49Å; I96-I100 WeakPolarHBondContact O-CD1 3.22Å; I96-I100 VanDerWaalsContact O-CG1 3.27Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 3.34Å; Y97-I100 PolarHBondContact O-N 3.33Å; G98-I100 VanDerWaalsContact C-N 3.31Å; G98-I100 PolarHBondContact O-N 3.01Å; I100-R136 HydrophobicContact CD1-CB 3.93Å; I100-Y140 HydrophobicContact CG1-CD1 4.37Å; I100-Y140 HydrophobicContact CG1-CD2 4.31Å; I100-Y140 HydrophobicContact CG1-CG 4.04Å |
| 101 | S | 87.4 | Confident | 88.6 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | trans | -79.5 | 128.3 | -173.5 | -169.3 | 0 | 0 | 0 | 0 | 112.6 | Y97 S103 | Y97-S101 VanDerWaalsContact O-CB 3.3Å; Y97-S101 WeakPolarHBondContact O-CB 3.44Å; Y97-S101 PolarHBondContact O-N 3.18Å; S101-S103 PolarHBondContact O-N 3.35Å; S101-S103 PolarHBondContact OG-N 3.21Å; S101-S103 PolarHBondContact OG-OG 3.37Å | ||
| 102 | D | 82.5 | Confident | 88.7 | Confident | 138 Ų | 138 | 44.7 Ų | 44.7 | 74% | 0.738 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10.5 | 170.3 | -68.3 | -40 | 0 | 0 | 0 | 113 | I104 K108 | D102-I104 VanDerWaalsContact C-N 3.28Å; D102-I104 PolarHBondContact O-N 2.87Å; D102-K108 IonicContact OD1-NZ 3.77Å |
| 103 | S | 79.8 | Confident | 88.7 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17 | 179.1 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | S101 | S101-S103 PolarHBondContact O-N 3.35Å; S101-S103 PolarHBondContact OG-N 3.21Å; S101-S103 PolarHBondContact OG-OG 3.37Å |
| 104 | I | 82.6 | Confident | 88.9 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.046 | 23% | 0.229 | C | C | . | . | trans | -90.8 | 123.1 | -176.4 | -56.6 | -56.5 | 0 | 0 | 0 | 109.4 | F56 Y97 D102 C106 | F56-I104 WeakPolarHBondContact O-CD1 3.38Å; Y97-I104 HydrophobicContact CE1-CD1 4.49Å; D102-I104 VanDerWaalsContact C-N 3.28Å; D102-I104 PolarHBondContact O-N 2.87Å; I104-C106 VanDerWaalsContact C-N 3.35Å; I104-C106 HydrophobicContact CG2-CB 4Å; I104-C106 VanDerWaalsContact CG2-SG 3.53Å | ||
| 105 | T | 81.2 | Confident | 89 | Confident | 89 Ų | 89 | 43 Ų | 43 | 55% | 0.546 | 22% | 0.221 | S | C | . | . | trans | -93 | 11.5 | -174.3 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | A62 Q65 | A62-T105 WeakPolarHBondContact CB-O 3.43Å; Q65-T105 PolarHBondContact OE1-OG1 3.25Å | ||
| 106 | C | 83 | Confident | 89 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 8% | 0.081 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -73.9 | 168.2 | -179.4 | 76.8 | 0 | 0 | 0 | 0 | 112.4 | Q65 N66 I69 I104 K108 | Q65-C106 HydrophobicContact CB-CB 4.11Å; N66-C106 WeakPolarHBondContact OD1-CA 3.44Å; N66-C106 WeakPolarHBondContact OD1-CB 3.44Å; I69-C106 HydrophobicContact CD1-CB 3.52Å; I69-C106 WeakPolarHBondContact CD1-SG 3.46Å; I104-C106 VanDerWaalsContact C-N 3.35Å; I104-C106 HydrophobicContact CG2-CB 4Å; I104-C106 VanDerWaalsContact CG2-SG 3.53Å; C106-K108 PolarHBondContact O-N 2.74Å; C106-K108 VanDerWaalsContact O-N 3.13Å |
| 107 | D | 88.6 | Confident | 89 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | trans | -64.8 | 111.9 | 172.8 | -175 | -20 | 0 | 0 | 0 | 110.5 | N66 I109 K110 L111 | N66-D107 PolarHBondContact OD1-N 3.24Å; D107-I109 PolarHBondContact O-N 2.86Å; D107-I109 WeakPolarHBondContact OD1-CB 3.32Å; D107-I109 PolarHBondContact OD1-N 2.97Å; D107-K110 HydrophobicContact CB-CB 4.08Å; D107-K110 HydrophobicContact CB-CD 4.05Å; D107-K110 HydrophobicContact CB-CG 3.98Å; D107-K110 PolarHBondContact O-N 3.17Å; D107-K110 PolarHBondContact OD1-N 2.92Å; D107-L111 WeakPolarHBondContact O-CB 3.25Å; D107-L111 PolarHBondContact O-N 3.22Å | ||
| 108 | K | 89 | Confident | 89 | Confident | 88 Ų | 88 | 38.1 Ų | 38.1 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.2 | -31.7 | -179.5 | -71.4 | -166.8 | 175.6 | -168.6 | 0 | 112.4 | D102 C106 L111 L112 | D102-K108 IonicContact OD1-NZ 3.77Å; C106-K108 PolarHBondContact O-N 2.74Å; C106-K108 VanDerWaalsContact O-N 3.13Å; K108-L111 PolarHBondContact O-N 3.32Å; K108-L112 WeakPolarHBondContact O-CB 3.38Å; K108-L112 VanDerWaalsContact O-CG 3.31Å; K108-L112 WeakPolarHBondContact O-CG 3.28Å; K108-L112 PolarHBondContact O-N 3.5Å |
| 109 | I | 91 | Very high | 89.1 | Confident | 68 Ų | 68 | 38.1 Ų | 38.1 | 35% | 0.349 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.8 | -49.6 | 178.2 | -65 | 171.2 | 0 | 0 | 0 | 109.4 | D107 L111 L112 Q113 L151 | D107-I109 PolarHBondContact O-N 2.86Å; D107-I109 WeakPolarHBondContact OD1-CB 3.32Å; D107-I109 PolarHBondContact OD1-N 2.97Å; I109-L111 PolarHBondContact O-N 2.95Å; I109-L112 PolarHBondContact O-N 3.3Å; I109-Q113 HydrophobicContact CG2-CG 4.43Å; I109-Q113 VanDerWaalsContact O-CG 3.32Å; I109-Q113 WeakPolarHBondContact O-CG 3.48Å; I109-Q113 PolarHBondContact O-N 3.14Å; I109-L151 HydrophobicContact CD1-CD2 4.37Å; I109-L151 HydrophobicContact CG1-CD2 3.47Å; I109-L151 VanDerWaalsContact CG1-CD2 3.47Å |
| 110 | K | 90.9 | Very high | 89 | Confident | 53 Ų | 53 | 38.2 Ų | 38.2 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.2 | -40.6 | 176.6 | -71.7 | -171.9 | 175.3 | -162.9 | 0 | 111.8 | I69 D70 D107 Q113 A114 | I69-K110 HydrophobicContact CG2-CB 4.09Å; D70-K110 WeakPolarHBondContact OD1-CD 3.17Å; D70-K110 WeakPolarHBondContact OD1-CE 3.39Å; D70-K110 IonicContact OD1-NZ 3.61Å; D70-K110 PolarHBondContact OD1-NZ 2.77Å; D70-K110 IonicContact OD2-NZ 2.81Å; D70-K110 PolarHBondContact OD2-NZ 3.05Å; D107-K110 HydrophobicContact CB-CB 4.08Å; D107-K110 HydrophobicContact CB-CD 4.05Å; D107-K110 HydrophobicContact CB-CG 3.98Å; D107-K110 PolarHBondContact O-N 3.17Å; D107-K110 PolarHBondContact OD1-N 2.92Å; K110-Q113 WeakPolarHBondContact O-CB 3.35Å; K110-Q113 PolarHBondContact O-N 3.34Å; K110-A114 PolarHBondContact O-N 3.16Å |
| 111 | L | 92.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | -179.7 | -176.6 | 59.6 | 0 | 0 | 0 | 112.4 | F56 I69 L95 G98 V99 D107 K108 I109 A114 L115 | F56-L111 HydrophobicContact CE1-CD1 3.67Å; F56-L111 HydrophobicContact CZ-CD1 4.39Å; I69-L111 HydrophobicContact CD1-CD1 4.3Å; L95-L111 HydrophobicContact CD2-CD1 3.83Å; G98-L111 VanDerWaalsContact O-CD2 3.32Å; G98-L111 WeakPolarHBondContact O-CD2 3.49Å; V99-L111 HydrophobicContact CB-CD2 4.4Å; V99-L111 HydrophobicContact CG2-CD1 4.38Å; V99-L111 HydrophobicContact CG2-CD2 3.82Å; V99-L111 HydrophobicContact CG2-CG 3.58Å; V99-L111 VanDerWaalsContact N-CD2 3.33Å; D107-L111 WeakPolarHBondContact O-CB 3.25Å; D107-L111 PolarHBondContact O-N 3.22Å; K108-L111 PolarHBondContact O-N 3.32Å; I109-L111 PolarHBondContact O-N 2.95Å; L111-A114 PolarHBondContact O-N 3.4Å; L111-L115 PolarHBondContact O-N 3.06Å |
| 112 | L | 93.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 171.6 | -71.7 | 170.2 | 0 | 0 | 0 | 111.6 | V99 K108 I109 L115 Q116 I141 I144 L151 P154 I158 | V99-L112 HydrophobicContact CG1-CD2 3.72Å; V99-L112 HydrophobicContact CG2-CD2 4.14Å; K108-L112 WeakPolarHBondContact O-CB 3.38Å; K108-L112 VanDerWaalsContact O-CG 3.31Å; K108-L112 WeakPolarHBondContact O-CG 3.28Å; K108-L112 PolarHBondContact O-N 3.5Å; I109-L112 PolarHBondContact O-N 3.3Å; L112-L115 PolarHBondContact O-N 3.23Å; L112-Q116 WeakPolarHBondContact O-CB 3.14Å; L112-Q116 PolarHBondContact O-N 2.99Å; L112-I141 HydrophobicContact CD2-CD1 3.88Å; L112-I144 HydrophobicContact CD1-CD1 4.24Å; L112-I144 HydrophobicContact CD2-CD1 4.2Å; L112-L151 HydrophobicContact CD1-CB 4Å; L112-L151 HydrophobicContact CD1-CD1 4.18Å; L112-L151 HydrophobicContact CD1-CD2 4.12Å; L112-L151 HydrophobicContact CD1-CG 4.32Å; L112-P154 HydrophobicContact CB-CB 3.85Å; L112-P154 HydrophobicContact CB-CG 3.99Å; L112-P154 HydrophobicContact CD1-CG 4.2Å; L112-I158 HydrophobicContact CB-CD1 4.34Å; L112-I158 HydrophobicContact CD2-CD1 3.76Å |
| 113 | Q | 92.3 | Very high | 87.9 | Confident | 94 Ų | 94 | 30.2 Ų | 30.2 | 44% | 0.439 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 173.9 | -72.8 | 171.9 | -17.8 | 0 | 0 | 111.8 | I109 K110 Q116 L117 | I109-Q113 HydrophobicContact CG2-CG 4.43Å; I109-Q113 VanDerWaalsContact O-CG 3.32Å; I109-Q113 WeakPolarHBondContact O-CG 3.48Å; I109-Q113 PolarHBondContact O-N 3.14Å; K110-Q113 WeakPolarHBondContact O-CB 3.35Å; K110-Q113 PolarHBondContact O-N 3.34Å; Q113-Q116 PolarHBondContact O-N 2.95Å; Q113-L117 WeakPolarHBondContact O-CB 3.37Å; Q113-L117 PolarHBondContact O-N 3.25Å |
| 114 | A | 93.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I69 I73 L95 K110 L111 Q116 L117 Y118 | I69-A114 HydrophobicContact CG2-CB 4.43Å; I73-A114 HydrophobicContact CD1-CB 4.27Å; I73-A114 HydrophobicContact CG1-CB 3.79Å; L95-A114 HydrophobicContact CD2-CB 3.69Å; K110-A114 PolarHBondContact O-N 3.16Å; L111-A114 PolarHBondContact O-N 3.4Å; A114-Q116 VanDerWaalsContact C-N 3.29Å; A114-Q116 PolarHBondContact O-N 2.86Å; A114-L117 WeakPolarHBondContact O-CB 3.23Å; A114-L117 PolarHBondContact O-N 2.97Å; A114-L117 VanDerWaalsContact O-N 3.15Å; A114-Y118 VanDerWaalsContact O-CD2 3.25Å; A114-Y118 WeakPolarHBondContact O-CD2 3.46Å; A114-Y118 PolarHBondContact O-N 3.14Å |
| 115 | L | 94.6 | Very high | 86.8 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -37.5 | 177.6 | -177.2 | 58.5 | 0 | 0 | 0 | 112.5 | L92 L95 I96 V99 L111 L112 Y118 T119 I158 | L92-L115 HydrophobicContact CD2-CD1 4.11Å; L95-L115 HydrophobicContact CB-CD1 4.16Å; I96-L115 HydrophobicContact CD1-CD1 4.4Å; I96-L115 HydrophobicContact CG1-CD1 3.7Å; I96-L115 HydrophobicContact CG1-CD2 4.15Å; V99-L115 HydrophobicContact CB-CD2 4.37Å; V99-L115 HydrophobicContact CG1-CD2 4.41Å; V99-L115 HydrophobicContact CG2-CB 4.31Å; V99-L115 HydrophobicContact CG2-CD2 3.85Å; L111-L115 PolarHBondContact O-N 3.06Å; L112-L115 PolarHBondContact O-N 3.23Å; L115-Y118 PolarHBondContact O-N 3.16Å; L115-T119 HydrophobicContact CD1-CG2 3.93Å; L115-T119 HydrophobicContact CG-CG2 4.34Å; L115-T119 WeakPolarHBondContact O-CB 3.45Å; L115-T119 VanDerWaalsContact O-CG2 3.28Å; L115-T119 WeakPolarHBondContact O-CG2 3.37Å; L115-T119 PolarHBondContact O-N 3.4Å; L115-T119 PolarHBondContact O-OG1 2.9Å; L115-I158 HydrophobicContact CB-CD1 4.04Å; L115-I158 HydrophobicContact CD2-CD1 3.97Å; L115-I158 HydrophobicContact CD2-CG2 4.5Å; L115-I158 HydrophobicContact CG-CD1 3.97Å; L115-I158 HydrophobicContact CG-CG1 4.3Å; L115-I158 HydrophobicContact CG-CG2 4.49Å |
| 116 | Q | 93.8 | Very high | 86.1 | Confident | 16 Ų | 16 | 29.3 Ų | 29.3 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.9 | -173 | 179.7 | -0.5 | 0 | 0 | 111.2 | L112 Q113 A114 Y118 T119 E120 I158 N161 V241 | L112-Q116 WeakPolarHBondContact O-CB 3.14Å; L112-Q116 PolarHBondContact O-N 2.99Å; Q113-Q116 PolarHBondContact O-N 2.95Å; A114-Q116 VanDerWaalsContact C-N 3.29Å; A114-Q116 PolarHBondContact O-N 2.86Å; Q116-Y118 VanDerWaalsContact C-N 3.34Å; Q116-Y118 PolarHBondContact O-N 3.5Å; Q116-T119 WeakPolarHBondContact CA-OG1 3.41Å; Q116-T119 PolarHBondContact O-N 3.37Å; Q116-T119 PolarHBondContact O-OG1 3.26Å; Q116-E120 PolarHBondContact O-N 2.93Å; Q116-I158 HydrophobicContact CB-CG1 3.79Å; Q116-I158 HydrophobicContact CG-CG1 4.38Å; Q116-N161 PolarHBondContact O-ND2 3.49Å; Q116-V241 HydrophobicContact CG-CG1 4.49Å |
| 117 | L | 91.6 | Very high | 85.5 | Confident | 16 Ų | 16 | 29.3 Ų | 29.3 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 178.5 | 178.8 | 65.1 | 0 | 0 | 0 | 112.7 | I73 R82 Q113 A114 E120 | I73-L117 HydrophobicContact CG2-CD2 4.36Å; I73-L117 WeakPolarHBondContact O-CD2 3.36Å; R82-L117 WeakPolarHBondContact CD-O 3.47Å; R82-L117 PolarHBondContact NH1-O 3.47Å; Q113-L117 WeakPolarHBondContact O-CB 3.37Å; Q113-L117 PolarHBondContact O-N 3.25Å; A114-L117 WeakPolarHBondContact O-CB 3.23Å; A114-L117 PolarHBondContact O-N 2.97Å; A114-L117 VanDerWaalsContact O-N 3.15Å; L117-E120 WeakPolarHBondContact O-CB 3.37Å |
| 118 | Y | 92.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -82.8 | -13.2 | 179.6 | -78.2 | -84.3 | 0 | 0 | 0 | 113.8 | I72 G76 R82 L85 L86 I91 L95 A114 L115 Q116 L122 | I72-Y118 HydrophobicContact CG2-CD2 4.34Å; I72-Y118 HydrophobicContact CG2-CE2 3.44Å; I72-Y118 VanDerWaalsContact CG2-CE2 3.44Å; I72-Y118 PolarHBondContact O-OH 3.1Å; G76-Y118 VanDerWaalsContact CA-OH 3.3Å; G76-Y118 WeakPolarHBondContact CA-OH 3.39Å; G76-Y118 PolarHBondContact N-OH 2.84Å; R82-Y118 HydrophobicContact CB-CE1 4.42Å; R82-Y118 HydrophobicContact CG-CD1 3.86Å; R82-Y118 HydrophobicContact CG-CE1 3.89Å; L85-Y118 HydrophobicContact CB-CE1 3.79Å; L85-Y118 HydrophobicContact CD1-CE1 4.19Å; L85-Y118 WeakPolarHBondContact CD1-OH 3.46Å; L86-Y118 HydrophobicContact CD2-CD1 3.91Å; L86-Y118 HydrophobicContact CG-CD1 3.98Å; I91-Y118 HydrophobicContact CG1-CE1 4.34Å; I91-Y118 HydrophobicContact CG2-CD1 3.35Å; I91-Y118 HydrophobicContact CG2-CE1 3.56Å; I91-Y118 HydrophobicContact CG2-CG 4.06Å; L95-Y118 HydrophobicContact CD1-CD2 3.52Å; L95-Y118 HydrophobicContact CD1-CE2 4.29Å; L95-Y118 HydrophobicContact CD1-CG 3.69Å; A114-Y118 VanDerWaalsContact O-CD2 3.25Å; A114-Y118 WeakPolarHBondContact O-CD2 3.46Å; A114-Y118 PolarHBondContact O-N 3.14Å; L115-Y118 PolarHBondContact O-N 3.16Å; Q116-Y118 VanDerWaalsContact C-N 3.34Å; Q116-Y118 PolarHBondContact O-N 3.5Å; Y118-L122 WeakPolarHBondContact O-CD2 3.49Å; Y118-L122 WeakPolarHBondContact O-CG 3.45Å |
| 119 | T | 91.6 | Very high | 84.3 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -89.9 | -20.7 | 170.1 | 51 | 0 | 0 | 0 | 0 | 113 | L92 L115 Q116 L122 I158 N161 L162 | L92-T119 HydrophobicContact CD2-CG2 4.09Å; L115-T119 HydrophobicContact CD1-CG2 3.93Å; L115-T119 HydrophobicContact CG-CG2 4.34Å; L115-T119 WeakPolarHBondContact O-CB 3.45Å; L115-T119 VanDerWaalsContact O-CG2 3.28Å; L115-T119 WeakPolarHBondContact O-CG2 3.37Å; L115-T119 PolarHBondContact O-N 3.4Å; L115-T119 PolarHBondContact O-OG1 2.9Å; Q116-T119 WeakPolarHBondContact CA-OG1 3.41Å; Q116-T119 PolarHBondContact O-N 3.37Å; Q116-T119 PolarHBondContact O-OG1 3.26Å; T119-L122 HydrophobicContact CG2-CD1 4.05Å; T119-L122 WeakPolarHBondContact O-CG 3.34Å; T119-L122 PolarHBondContact O-N 3.07Å; T119-I158 HydrophobicContact CG2-CG2 4.45Å; T119-N161 PolarHBondContact OG1-ND2 3.39Å; T119-L162 HydrophobicContact CG2-CD2 4.26Å |
| 120 | E | 87 | Confident | 84.1 | Confident | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 136.4 | 176.5 | -163.1 | -153.1 | 146 | 0 | 0 | 110.9 | R82 Q116 L117 L122 N161 | R82-E120 IonicContact CZ-OE2 2.92Å; R82-E120 IonicContact NH1-OE1 3.47Å; R82-E120 IonicContact NH1-OE2 3.74Å; R82-E120 PolarHBondContact NH1-OE2 3.41Å; Q116-E120 PolarHBondContact O-N 2.93Å; L117-E120 WeakPolarHBondContact O-CB 3.37Å; E120-L122 PolarHBondContact O-N 2.69Å; E120-N161 WeakPolarHBondContact CA-ND2 3.34Å; E120-N161 PolarHBondContact N-ND2 3.39Å; E120-N161 VanDerWaalsContact N-ND2 3.18Å |
| 121 | N | 76 | Confident | 83.9 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 6.6 | -178.1 | -52.9 | -71.3 | 0 | 0 | 0 | 115.7 | R82 H123 N124 L125 E248 K292 | R82-N121 PolarHBondContact NH2-ND2 3.3Å; N121-H123 PolarHBondContact O-N 2.96Å; N121-N124 HydrophobicContact CB-CB 4.4Å; N121-N124 CarbonylContact O-C 3.55Å; N121-N124 WeakPolarHBondContact O-CA 3.42Å; N121-N124 WeakPolarHBondContact O-CB 3.29Å; N121-N124 PolarHBondContact O-N 3.16Å; N121-L125 HydrophobicContact CB-CG 4.35Å; N121-L125 WeakPolarHBondContact O-CG 3.47Å; N121-L125 PolarHBondContact O-N 2.93Å; N121-E248 PolarHBondContact OD1-OE1 3.45Å; N121-K292 PolarHBondContact OD1-NZ 3.44Å |
| 122 | L | 83.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.3 | -35.2 | -179.2 | -79.2 | -179.2 | 0 | 0 | 0 | 113.2 | L86 L92 Y118 T119 E120 N124 L125 D126 V127 I129 F165 | L86-L122 HydrophobicContact CD1-CD2 3.63Å; L86-L122 HydrophobicContact CD2-CD2 3.84Å; L86-L122 HydrophobicContact CG-CD2 4.34Å; L92-L122 HydrophobicContact CD1-CD1 3.75Å; L92-L122 HydrophobicContact CD1-CD2 4.06Å; L92-L122 HydrophobicContact CD2-CD1 4.3Å; Y118-L122 WeakPolarHBondContact O-CD2 3.49Å; Y118-L122 WeakPolarHBondContact O-CG 3.45Å; T119-L122 HydrophobicContact CG2-CD1 4.05Å; T119-L122 WeakPolarHBondContact O-CG 3.34Å; T119-L122 PolarHBondContact O-N 3.07Å; E120-L122 PolarHBondContact O-N 2.69Å; L122-N124 VanDerWaalsContact C-N 3.34Å; L122-L125 PolarHBondContact O-N 3.34Å; L122-D126 PolarHBondContact O-N 3.41Å; L122-V127 HydrophobicContact CD2-CB 4.1Å; L122-V127 HydrophobicContact CD2-CG1 4.48Å; L122-I129 HydrophobicContact CD1-CD1 3.59Å; L122-I129 HydrophobicContact CD1-CG1 4.29Å; L122-F165 HydrophobicContact CB-CE2 4.15Å; L122-F165 HydrophobicContact CB-CZ 3.95Å |
| 123 | H | 77.4 | Confident | 83.5 | Confident | 44 Ų | 44 | 36.9 Ų | 36.9 | 20% | 0.204 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.3 | -30.7 | 176.6 | 65.2 | -87.8 | 0 | 0 | 0 | 113 | N121 H164 F165 E248 | N121-H123 PolarHBondContact O-N 2.96Å; H123-H164 HydrophobicContact CB-CB 3.9Å; H123-H164 AromaticContact CD2-ND1 3.66Å; H123-H164 AromaticContact CE1-CD2 3.78Å; H123-H164 AromaticContact CE1-CE1 3.17Å; H123-H164 PolarHBondContact CE1-CE1 3.5Å; H123-H164 AromaticContact CE1-CG 3.79Å; H123-H164 AromaticContact CE1-ND1 3.43Å; H123-H164 PolarHBondContact CE1-ND1 2.83Å; H123-H164 AromaticContact CE1-NE2 3.39Å; H123-H164 PolarHBondContact CE1-NE2 2.83Å; H123-H164 AromaticContact CG-CG 3.76Å; H123-H164 AromaticContact CG-ND1 3.68Å; H123-H164 AromaticContact ND1-CD2 3.61Å; H123-H164 AromaticContact ND1-CE1 3.69Å; H123-H164 AromaticContact ND1-CG 3.47Å; H123-H164 AromaticContact ND1-ND1 3.54Å; H123-H164 AromaticContact ND1-NE2 3.73Å; H123-H164 AromaticContact NE2-CE1 3.42Å; H123-H164 PolarHBondContact NE2-CE1 3.45Å; H123-H164 AromaticContact NE2-ND1 3.5Å; H123-H164 PolarHBondContact NE2-ND1 3.23Å; H123-F165 HydrophobicContact CB-CE2 4.47Å; H123-F165 HydrophobicContact CB-CZ 4.1Å; H123-E248 IonicContact CE1-OE1 3.43Å; H123-E248 PolarHBondContact CE1-OE1 3.45Å; H123-E248 IonicContact NE2-OE1 3.86Å; H123-E248 PolarHBondContact NE2-OE1 2.96Å |
| 124 | N | 71.8 | Confident | 83.5 | Confident | 34 Ų | 34 | 32.4 Ų | 32.4 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -81.7 | -30 | 174.5 | -63.7 | -36.3 | 0 | 0 | 0 | 112.2 | N121 L122 D126 E248 | N121-N124 HydrophobicContact CB-CB 4.4Å; N121-N124 CarbonylContact O-C 3.55Å; N121-N124 WeakPolarHBondContact O-CA 3.42Å; N121-N124 WeakPolarHBondContact O-CB 3.29Å; N121-N124 PolarHBondContact O-N 3.16Å; L122-N124 VanDerWaalsContact C-N 3.34Å; N124-D126 VanDerWaalsContact C-N 3.29Å; N124-E248 PolarHBondContact ND2-OE1 3.31Å |
| 125 | L | 66.9 | Low | 83.5 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79.6 | -12.9 | 179.8 | -60.2 | 179.8 | 0 | 0 | 0 | 113.2 | Y83 L86 N121 L122 V127 F669 | Y83-L125 HydrophobicContact CD2-CB 4.17Å; Y83-L125 HydrophobicContact CD2-CD1 4.29Å; Y83-L125 HydrophobicContact CD2-CD2 4.02Å; Y83-L125 HydrophobicContact CD2-CG 4.38Å; Y83-L125 HydrophobicContact CE2-CB 4.41Å; L86-L125 HydrophobicContact CD1-CD1 3.67Å; N121-L125 HydrophobicContact CB-CG 4.35Å; N121-L125 WeakPolarHBondContact O-CG 3.47Å; N121-L125 PolarHBondContact O-N 2.93Å; L122-L125 PolarHBondContact O-N 3.34Å; L125-V127 HydrophobicContact CB-CG2 3.81Å; L125-V127 PolarHBondContact O-N 3.45Å; L125-F669 HydrophobicContact CD2-CD2 3.77Å; L125-F669 HydrophobicContact CD2-CE2 3.4Å; L125-F669 VanDerWaalsContact CD2-CE2 3.4Å |
| 126 | D | 65.5 | Low | 83.3 | Confident | 92 Ų | 92 | 41.7 Ų | 41.7 | 49% | 0.492 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 45.7 | -175.2 | -170.7 | 41.4 | 0 | 0 | 0 | 112.4 | L122 N124 K672 | L122-D126 PolarHBondContact O-N 3.41Å; N124-D126 VanDerWaalsContact C-N 3.29Å; D126-K672 HydrophobicContact CB-CD 4.02Å; D126-K672 PolarHBondContact O-NZ 2.92Å; D126-K672 VanDerWaalsContact O-NZ 3.09Å; D126-K672 WeakPolarHBondContact OD2-CE 3.32Å; D126-K672 IonicContact OD2-NZ 3.58Å; D126-K672 PolarHBondContact OD2-NZ 3.29Å |
| 127 | V | 70.4 | Confident | 83.2 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | trans | -86.5 | 119.4 | 173.5 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | Y83 L86 T87 L122 L125 I129 | Y83-V127 HydrophobicContact CD2-CG2 4.43Å; Y83-V127 HydrophobicContact CE2-CG2 4.26Å; L86-V127 HydrophobicContact CB-CG1 4.33Å; L86-V127 HydrophobicContact CB-CG2 4.3Å; L86-V127 HydrophobicContact CD1-CG2 4.49Å; T87-V127 HydrophobicContact CG2-CG2 4.02Å; L122-V127 HydrophobicContact CD2-CB 4.1Å; L122-V127 HydrophobicContact CD2-CG1 4.48Å; L125-V127 HydrophobicContact CB-CG2 3.81Å; L125-V127 PolarHBondContact O-N 3.45Å; V127-I129 PolarHBondContact O-N 3.24Å | ||
| 128 | P | 71.3 | Confident | 83.4 | Confident | 91 Ų | 91 | 40.5 Ų | 40.5 | 59% | 0.591 | 21% | 0.211 | S | C | * | . | trans | -66.8 | 129.2 | -179 | 26.8 | -33.3 | 0 | 0 | 0 | 110.6 | ||||
| 129 | I | 81.8 | Confident | 83.4 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | trans | -104.5 | 125.2 | 173.3 | -48.9 | 173.6 | 0 | 0 | 0 | 108.2 | L122 V127 F134 F165 | L122-I129 HydrophobicContact CD1-CD1 3.59Å; L122-I129 HydrophobicContact CD1-CG1 4.29Å; V127-I129 PolarHBondContact O-N 3.24Å; I129-F134 HydrophobicContact CD1-CD2 4.33Å; I129-F134 HydrophobicContact CG2-CB 3.96Å; I129-F134 HydrophobicContact CG2-CD2 4.36Å; I129-F165 HydrophobicContact CD1-CD2 4.35Å; I129-F165 HydrophobicContact CD1-CE1 4.36Å; I129-F165 HydrophobicContact CD1-CE2 3.76Å; I129-F165 HydrophobicContact CD1-CZ 3.76Å | ||
| 130 | E | 85.7 | Confident | 83.4 | Confident | 100 Ų | 100 | 46.5 Ų | 46.5 | 47% | 0.467 | 24% | 0.24 | S | C | . | . | trans | -59.7 | 127.3 | 175.4 | -69.6 | 173.6 | -176.2 | 0 | 0 | 110.1 | K93 I132 L133 F134 | K93-E130 VanDerWaalsContact CE-CD 3.47Å; K93-E130 WeakPolarHBondContact CE-OE1 3.47Å; K93-E130 WeakPolarHBondContact CE-OE2 3.38Å; K93-E130 IonicContact NZ-OE1 3.17Å; K93-E130 PolarHBondContact NZ-OE1 3.39Å; K93-E130 IonicContact NZ-OE2 2.76Å; K93-E130 PolarHBondContact NZ-OE2 3.46Å; E130-I132 PolarHBondContact O-N 3.04Å; E130-I132 VanDerWaalsContact O-N 3.1Å; E130-L133 HydrophobicContact CB-CB 4.03Å; E130-L133 WeakPolarHBondContact O-CA 3.38Å; E130-L133 WeakPolarHBondContact O-CB 3.38Å; E130-L133 PolarHBondContact O-N 3.46Å; E130-F134 PolarHBondContact O-N 2.95Å | ||
| 131 | P | 88.6 | Confident | 83.8 | Confident | 80 Ų | 80 | 46 Ų | 46 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.6 | -33.6 | -175.9 | -29.6 | 35.3 | 0 | 0 | 0 | 114.4 | S135 L168 | P131-S135 VanDerWaalsContact O-CB 3.32Å; P131-S135 WeakPolarHBondContact O-CB 3.42Å; P131-S135 PolarHBondContact O-N 3.34Å; P131-L168 HydrophobicContact CB-CD2 4.32Å; P131-L168 HydrophobicContact CG-CD2 4.35Å |
| 132 | I | 89.8 | Confident | 84.6 | Confident | 119 Ų | 119 | 46.8 Ų | 46.8 | 61% | 0.61 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66.2 | -44.3 | 176.4 | -61.7 | 171.8 | 0 | 0 | 0 | 110.7 | E130 S135 R136 | E130-I132 PolarHBondContact O-N 3.04Å; E130-I132 VanDerWaalsContact O-N 3.1Å; I132-S135 PolarHBondContact O-N 2.9Å; I132-R136 WeakPolarHBondContact O-CG 3.36Å; I132-R136 PolarHBondContact O-N 3.48Å; I132-R136 VanDerWaalsContact O-N 3.09Å |
| 133 | L | 88.3 | Confident | 84.9 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 178.7 | -174.1 | 67.8 | 0 | 0 | 0 | 110.5 | L92 K93 I96 E130 R136 A137 | L92-L133 HydrophobicContact CB-CD2 4.39Å; K93-L133 HydrophobicContact CG-CD1 4.49Å; K93-L133 HydrophobicContact CG-CD2 3.75Å; I96-L133 HydrophobicContact CB-CD1 3.9Å; I96-L133 HydrophobicContact CD1-CD1 3.74Å; I96-L133 HydrophobicContact CD1-CD2 3.88Å; I96-L133 HydrophobicContact CD1-CG 3.5Å; I96-L133 HydrophobicContact CG1-CD1 4.42Å; I96-L133 HydrophobicContact CG2-CD1 3.73Å; E130-L133 HydrophobicContact CB-CB 4.03Å; E130-L133 WeakPolarHBondContact O-CA 3.38Å; E130-L133 WeakPolarHBondContact O-CB 3.38Å; E130-L133 PolarHBondContact O-N 3.46Å; L133-R136 PolarHBondContact O-N 2.97Å; L133-A137 PolarHBondContact O-N 3.37Å |
| 134 | F | 92.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 174.5 | -175.8 | -84.5 | 0 | 0 | 0 | 111.8 | I129 E130 R136 A137 L138 L162 F165 L168 V169 | I129-F134 HydrophobicContact CD1-CD2 4.33Å; I129-F134 HydrophobicContact CG2-CB 3.96Å; I129-F134 HydrophobicContact CG2-CD2 4.36Å; E130-F134 PolarHBondContact O-N 2.95Å; F134-R136 VanDerWaalsContact C-N 3.35Å; F134-R136 PolarHBondContact O-N 3.24Å; F134-A137 PolarHBondContact O-N 3.45Å; F134-L138 HydrophobicContact CE1-CB 4.38Å; F134-L138 HydrophobicContact CE1-CD2 3.94Å; F134-L138 WeakPolarHBondContact O-CB 3.36Å; F134-L138 PolarHBondContact O-N 3.26Å; F134-L162 HydrophobicContact CD2-CD2 3.98Å; F134-L162 HydrophobicContact CE2-CB 3.99Å; F134-L162 HydrophobicContact CE2-CD2 3.69Å; F134-L162 HydrophobicContact CE2-CG 4.32Å; F134-L162 HydrophobicContact CZ-CB 4.1Å; F134-F165 HydrophobicContact CE2-CB 3.69Å; F134-F165 AromaticContact CE2-CD2 3.85Å; F134-F165 HydrophobicContact CE2-CD2 3.85Å; F134-F165 AromaticContact CE2-CG 3.99Å; F134-F165 HydrophobicContact CE2-CG 3.99Å; F134-F165 HydrophobicContact CZ-CB 3.89Å; F134-L168 HydrophobicContact CB-CD1 4.39Å; F134-L168 HydrophobicContact CD1-CB 3.62Å; F134-L168 HydrophobicContact CD1-CD1 4.32Å; F134-L168 HydrophobicContact CD2-CB 4.37Å; F134-L168 HydrophobicContact CD2-CD1 3.85Å; F134-L168 HydrophobicContact CE1-CB 3.43Å; F134-L168 VanDerWaalsContact CE1-CB 3.43Å; F134-L168 HydrophobicContact CE2-CB 4.21Å; F134-L168 HydrophobicContact CE2-CD1 4.18Å; F134-L168 HydrophobicContact CG-CB 4.1Å; F134-L168 HydrophobicContact CG-CD1 3.93Å; F134-L168 HydrophobicContact CZ-CB 3.76Å; F134-V169 HydrophobicContact CE1-CG2 4.1Å; F134-V169 HydrophobicContact CZ-CG2 3.8Å |
| 135 | S | 92.4 | Very high | 86.5 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | -178.7 | -179 | 0 | 0 | 0 | 0 | 112.4 | P131 I132 N139 T172 | P131-S135 VanDerWaalsContact O-CB 3.32Å; P131-S135 WeakPolarHBondContact O-CB 3.42Å; P131-S135 PolarHBondContact O-N 3.34Å; I132-S135 PolarHBondContact O-N 2.9Å; S135-N139 WeakPolarHBondContact O-CB 3.3Å; S135-N139 PolarHBondContact O-N 2.89Å; S135-N139 PolarHBondContact O-ND2 3.15Å; S135-N139 VanDerWaalsContact O-ND2 3.1Å; S135-T172 VanDerWaalsContact OG-CG2 3.31Å; S135-T172 WeakPolarHBondContact OG-CG2 3.43Å |
| 136 | R | 91.2 | Very high | 87.5 | Confident | 160 Ų | 160 | 53.5 Ų | 53.5 | 60% | 0.604 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.9 | -48.1 | 176.5 | -75.2 | 180 | 178.6 | -175.6 | -0 | 112 | I100 I132 L133 F134 Y140 | I100-R136 HydrophobicContact CD1-CB 3.93Å; I132-R136 WeakPolarHBondContact O-CG 3.36Å; I132-R136 PolarHBondContact O-N 3.48Å; I132-R136 VanDerWaalsContact O-N 3.09Å; L133-R136 PolarHBondContact O-N 2.97Å; F134-R136 VanDerWaalsContact C-N 3.35Å; F134-R136 PolarHBondContact O-N 3.24Å; R136-Y140 WeakPolarHBondContact O-CB 3.28Å; R136-Y140 PolarHBondContact O-N 3.48Å |
| 137 | A | 92.4 | Very high | 88.5 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I96 L133 F134 N139 Y140 I141 L162 | I96-A137 HydrophobicContact CD1-CB 3.95Å; I96-A137 HydrophobicContact CG1-CB 4.12Å; I96-A137 HydrophobicContact CG2-CB 4.12Å; L133-A137 PolarHBondContact O-N 3.37Å; F134-A137 PolarHBondContact O-N 3.45Å; A137-N139 PolarHBondContact O-N 3.45Å; A137-Y140 PolarHBondContact O-N 3.23Å; A137-I141 WeakPolarHBondContact O-CB 3.44Å; A137-I141 VanDerWaalsContact O-CG1 3.24Å; A137-I141 WeakPolarHBondContact O-CG1 3.26Å; A137-I141 PolarHBondContact O-N 3.28Å; A137-L162 HydrophobicContact CB-CD1 4.38Å |
| 138 | L | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.7 | -49.3 | -178.3 | -177.5 | 66.8 | 0 | 0 | 0 | 112.3 | F134 Y140 I141 I142 L159 L162 V169 T172 L173 | F134-L138 HydrophobicContact CE1-CB 4.38Å; F134-L138 HydrophobicContact CE1-CD2 3.94Å; F134-L138 WeakPolarHBondContact O-CB 3.36Å; F134-L138 PolarHBondContact O-N 3.26Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-Y140 PolarHBondContact O-N 3.31Å; L138-I141 PolarHBondContact O-N 3.13Å; L138-I142 HydrophobicContact CD1-CD1 3.99Å; L138-I142 HydrophobicContact CD1-CG1 4.4Å; L138-I142 HydrophobicContact CG-CD1 3.87Å; L138-I142 VanDerWaalsContact O-CG1 3.3Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 2.68Å; L138-L159 HydrophobicContact CD1-CD1 3.46Å; L138-L159 VanDerWaalsContact CD1-CD1 3.46Å; L138-L162 HydrophobicContact CD1-CD1 4.49Å; L138-V169 HydrophobicContact CD2-CB 4.38Å; L138-V169 HydrophobicContact CD2-CG1 4.18Å; L138-V169 HydrophobicContact CD2-CG2 4.26Å; L138-T172 HydrophobicContact CD2-CG2 3.81Å; L138-L173 HydrophobicContact CD2-CG 4.28Å |
| 139 | N | 92.6 | Very high | 89.4 | Confident | 80 Ų | 80 | 57 Ų | 57 | 43% | 0.428 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | -179.1 | -75.1 | -36 | 0 | 0 | 0 | 112.4 | S135 A137 H143 | S135-N139 WeakPolarHBondContact O-CB 3.3Å; S135-N139 PolarHBondContact O-N 2.89Å; S135-N139 PolarHBondContact O-ND2 3.15Å; S135-N139 VanDerWaalsContact O-ND2 3.1Å; A137-N139 PolarHBondContact O-N 3.45Å; N139-H143 PolarHBondContact O-N 3.06Å |
| 140 | Y | 92.3 | Very high | 89.6 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 178.7 | -172.4 | -100.1 | 0 | 0 | 0 | 112.1 | V99 I100 R136 A137 L138 H143 I144 | V99-Y140 HydrophobicContact CG1-CD1 3.48Å; V99-Y140 VanDerWaalsContact CG1-CD1 3.48Å; V99-Y140 HydrophobicContact CG1-CE1 3.27Å; V99-Y140 WeakPolarHBondContact O-CE1 3.39Å; V99-Y140 PolarHBondContact O-OH 3.15Å; I100-Y140 HydrophobicContact CG1-CD1 4.37Å; I100-Y140 HydrophobicContact CG1-CD2 4.31Å; I100-Y140 HydrophobicContact CG1-CG 4.04Å; R136-Y140 WeakPolarHBondContact O-CB 3.28Å; R136-Y140 PolarHBondContact O-N 3.48Å; A137-Y140 PolarHBondContact O-N 3.23Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-Y140 PolarHBondContact O-N 3.31Å; Y140-H143 WeakPolarHBondContact O-CB 3.31Å; Y140-H143 PolarHBondContact O-N 2.74Å; Y140-I144 HydrophobicContact CD1-CD1 3.68Å; Y140-I144 HydrophobicContact CD1-CG1 4.39Å; Y140-I144 HydrophobicContact CE1-CD1 3.32Å; Y140-I144 HydrophobicContact CE1-CG1 4.12Å; Y140-I144 PolarHBondContact O-N 3.01Å |
| 141 | I | 94.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.5 | -66.7 | -60.2 | 0 | 0 | 0 | 111.4 | L112 A137 L138 H143 I144 I145 A155 I158 L159 | L112-I141 HydrophobicContact CD2-CD1 3.88Å; A137-I141 WeakPolarHBondContact O-CB 3.44Å; A137-I141 VanDerWaalsContact O-CG1 3.24Å; A137-I141 WeakPolarHBondContact O-CG1 3.26Å; A137-I141 PolarHBondContact O-N 3.28Å; L138-I141 PolarHBondContact O-N 3.13Å; I141-H143 VanDerWaalsContact C-N 3.28Å; I141-H143 PolarHBondContact O-N 2.9Å; I141-I144 HydrophobicContact CD1-CD1 4.44Å; I141-I144 PolarHBondContact O-N 2.92Å; I141-I145 HydrophobicContact CG2-CD1 3.85Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.35Å; I141-I145 PolarHBondContact O-N 2.78Å; I141-A155 HydrophobicContact CD1-CB 4.45Å; I141-A155 HydrophobicContact CG2-CB 4.2Å; I141-A155 WeakPolarHBondContact CG2-O 3.41Å; I141-I158 HydrophobicContact CD1-CB 4.15Å; I141-I158 HydrophobicContact CD1-CD1 3.58Å; I141-I158 HydrophobicContact CD1-CG1 4.49Å; I141-I158 HydrophobicContact CD1-CG2 4.08Å; I141-I158 HydrophobicContact CG1-CB 4.3Å; I141-I158 HydrophobicContact CG1-CG2 3.82Å; I141-L159 HydrophobicContact CG2-CB 3.93Å |
| 142 | I | 92.9 | Very high | 90.1 | Very high | 24 Ų | 24 | 56 Ų | 56 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 173.7 | -70.2 | 170.9 | 0 | 0 | 0 | 110.6 | L138 I145 H146 L159 L173 | L138-I142 HydrophobicContact CD1-CD1 3.99Å; L138-I142 HydrophobicContact CD1-CG1 4.4Å; L138-I142 HydrophobicContact CG-CD1 3.87Å; L138-I142 VanDerWaalsContact O-CG1 3.3Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 2.68Å; I142-I145 PolarHBondContact O-N 2.93Å; I142-H146 PolarHBondContact O-N 3.49Å; I142-H146 PolarHBondContact O-ND1 2.94Å; I142-L159 HydrophobicContact CG1-CD1 4.42Å; I142-L173 HydrophobicContact CD1-CD1 3.83Å; I142-L173 HydrophobicContact CD1-CD2 3.77Å; I142-L173 HydrophobicContact CD1-CG 4.29Å |
| 143 | H | 90.8 | Very high | 90.2 | Very high | 120 Ų | 120 | 54.4 Ų | 54.4 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.4 | -49.4 | 175.7 | -178.5 | 61.9 | 0 | 0 | 0 | 111.6 | N139 Y140 I141 I145 H146 S147 | N139-H143 PolarHBondContact O-N 3.06Å; Y140-H143 WeakPolarHBondContact O-CB 3.31Å; Y140-H143 PolarHBondContact O-N 2.74Å; I141-H143 VanDerWaalsContact C-N 3.28Å; I141-H143 PolarHBondContact O-N 2.9Å; H143-I145 VanDerWaalsContact C-N 3.34Å; H143-I145 PolarHBondContact O-N 3.31Å; H143-H146 PolarHBondContact O-N 3.31Å; H143-H146 VanDerWaalsContact O-N 3.09Å; H143-S147 PolarHBondContact O-N 3.11Å; H143-S147 PolarHBondContact O-OG 3.07Å |
| 144 | I | 91.3 | Very high | 90.4 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.3 | -48.3 | 177.3 | -71 | 169.4 | 0 | 0 | 0 | 111.4 | L112 Y140 I141 H146 S147 N148 L151 A155 | L112-I144 HydrophobicContact CD1-CD1 4.24Å; L112-I144 HydrophobicContact CD2-CD1 4.2Å; Y140-I144 HydrophobicContact CD1-CD1 3.68Å; Y140-I144 HydrophobicContact CD1-CG1 4.39Å; Y140-I144 HydrophobicContact CE1-CD1 3.32Å; Y140-I144 HydrophobicContact CE1-CG1 4.12Å; Y140-I144 PolarHBondContact O-N 3.01Å; I141-I144 HydrophobicContact CD1-CD1 4.44Å; I141-I144 PolarHBondContact O-N 2.92Å; I144-H146 PolarHBondContact O-N 2.99Å; I144-H146 VanDerWaalsContact O-N 3.13Å; I144-S147 PolarHBondContact O-N 3.3Å; I144-N148 HydrophobicContact CG2-CB 4.41Å; I144-N148 PolarHBondContact O-N 3.01Å; I144-L151 HydrophobicContact CG2-CB 3.6Å; I144-L151 HydrophobicContact CG2-CD1 4.49Å; I144-A155 HydrophobicContact CB-CB 4.16Å; I144-A155 HydrophobicContact CG2-CB 3.61Å |
| 145 | I | 91.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -27.7 | -178.6 | -68.7 | 163.9 | 0 | 0 | 0 | 112.1 | I141 I142 H143 L152 A155 L156 L159 I189 | I141-I145 HydrophobicContact CG2-CD1 3.85Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.35Å; I141-I145 PolarHBondContact O-N 2.78Å; I142-I145 PolarHBondContact O-N 2.93Å; H143-I145 VanDerWaalsContact C-N 3.34Å; H143-I145 PolarHBondContact O-N 3.31Å; I145-L152 HydrophobicContact CB-CD1 4.32Å; I145-L152 HydrophobicContact CG1-CD1 4.29Å; I145-L152 HydrophobicContact CG2-CD1 4.05Å; I145-A155 HydrophobicContact CD1-CB 4.5Å; I145-A155 HydrophobicContact CG1-CB 3.91Å; I145-L156 HydrophobicContact CD1-CD2 3.97Å; I145-L156 HydrophobicContact CD1-CG 4.45Å; I145-L156 HydrophobicContact CG1-CD2 4.24Å; I145-L156 HydrophobicContact CG1-CG 4.38Å; I145-L156 HydrophobicContact CG2-CD2 4.3Å; I145-L159 HydrophobicContact CD1-CB 4Å; I145-L159 HydrophobicContact CD1-CD2 3.5Å; I145-L159 HydrophobicContact CD1-CG 4.35Å; I145-I189 HydrophobicContact CG2-CD1 4.23Å |
| 146 | H | 87.3 | Confident | 90.7 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -86 | -21.4 | 177.9 | -73.9 | 88.2 | 0 | 0 | 0 | 114.1 | I142 H143 I144 | I142-H146 PolarHBondContact O-N 3.49Å; I142-H146 PolarHBondContact O-ND1 2.94Å; H143-H146 PolarHBondContact O-N 3.31Å; H143-H146 VanDerWaalsContact O-N 3.09Å; I144-H146 PolarHBondContact O-N 2.99Å; I144-H146 VanDerWaalsContact O-N 3.13Å |
| 147 | S | 85.6 | Confident | 90.8 | Very high | 78 Ų | 78 | 44.5 Ų | 44.5 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -124.6 | -16.9 | -164.4 | 63.7 | 0 | 0 | 0 | 0 | 116 | H143 I144 | H143-S147 PolarHBondContact O-N 3.11Å; H143-S147 PolarHBondContact O-OG 3.07Å; I144-S147 PolarHBondContact O-N 3.3Å |
| 148 | N | 81.2 | Confident | 91 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | trans | -140.7 | 105.9 | -169.8 | -168.9 | -30.9 | 0 | 0 | 0 | 112.4 | I144 D150 L151 L152 | I144-N148 HydrophobicContact CG2-CB 4.41Å; I144-N148 PolarHBondContact O-N 3.01Å; N148-D150 WeakPolarHBondContact OD1-CB 3.14Å; N148-D150 PolarHBondContact OD1-N 3.16Å; N148-L151 HydrophobicContact CB-CB 4.45Å; N148-L151 WeakPolarHBondContact ND2-CD1 3.43Å; N148-L151 PolarHBondContact OD1-N 3.47Å; N148-L152 PolarHBondContact O-N 3.46Å | ||
| 149 | D | 81.2 | Confident | 91 | Very high | 136 Ų | 136 | 44.3 Ų | 44.3 | 73% | 0.727 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -69.5 | -31.2 | -179.9 | -69.3 | -25.5 | 0 | 0 | 0 | 112.7 | L151 L152 | D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 2.92Å; D149-L152 WeakPolarHBondContact O-CB 3.49Å; D149-L152 PolarHBondContact O-N 2.96Å |
| 150 | D | 86 | Confident | 91.1 | Very high | 139 Ų | 139 | 40.5 Ų | 40.5 | 74% | 0.743 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -27.7 | -178.4 | -63.4 | -29.5 | 0 | 0 | 0 | 112.5 | N148 | N148-D150 WeakPolarHBondContact OD1-CB 3.14Å; N148-D150 PolarHBondContact OD1-N 3.16Å |
| 151 | L | 91.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 3.4 | 179.1 | -56.7 | -177 | 0 | 0 | 0 | 112.7 | I109 L112 I144 N148 D149 E153 P154 A155 | I109-L151 HydrophobicContact CD1-CD2 4.37Å; I109-L151 HydrophobicContact CG1-CD2 3.47Å; I109-L151 VanDerWaalsContact CG1-CD2 3.47Å; L112-L151 HydrophobicContact CD1-CB 4Å; L112-L151 HydrophobicContact CD1-CD1 4.18Å; L112-L151 HydrophobicContact CD1-CD2 4.12Å; L112-L151 HydrophobicContact CD1-CG 4.32Å; I144-L151 HydrophobicContact CG2-CB 3.6Å; I144-L151 HydrophobicContact CG2-CD1 4.49Å; N148-L151 HydrophobicContact CB-CB 4.45Å; N148-L151 WeakPolarHBondContact ND2-CD1 3.43Å; N148-L151 PolarHBondContact OD1-N 3.47Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 2.92Å; L151-E153 PolarHBondContact O-N 3.37Å; L151-P154 WeakPolarHBondContact O-CD 3.15Å; L151-P154 WeakPolarHBondContact O-CG 3.28Å; L151-A155 VanDerWaalsContact O-CB 3.23Å; L151-A155 WeakPolarHBondContact O-CB 3.06Å; L151-A155 PolarHBondContact O-N 2.96Å |
| 152 | L | 92 | Very high | 91.1 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | -169.2 | -179 | 64 | 0 | 0 | 0 | 112.6 | I145 N148 D149 A155 L156 I189 | I145-L152 HydrophobicContact CB-CD1 4.32Å; I145-L152 HydrophobicContact CG1-CD1 4.29Å; I145-L152 HydrophobicContact CG2-CD1 4.05Å; N148-L152 PolarHBondContact O-N 3.46Å; D149-L152 WeakPolarHBondContact O-CB 3.49Å; D149-L152 PolarHBondContact O-N 2.96Å; L152-A155 PolarHBondContact O-N 2.66Å; L152-L156 HydrophobicContact CD1-CD1 3.91Å; L152-L156 HydrophobicContact CD1-CG 4Å; L152-L156 HydrophobicContact CD2-CD1 4.42Å; L152-L156 HydrophobicContact CG-CD1 3.8Å; L152-L156 HydrophobicContact CG-CG 4.29Å; L152-L156 WeakPolarHBondContact O-CB 3.46Å; L152-L156 WeakPolarHBondContact O-CG 3.08Å; L152-L156 PolarHBondContact O-N 3.32Å; L152-I189 HydrophobicContact CD1-CD1 4.13Å |
| 153 | E | 92.2 | Very high | 91.2 | Very high | 85 Ų | 85 | 37.5 Ų | 37.5 | 40% | 0.397 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.4 | -55.8 | -175.6 | -69.2 | -168 | 175.3 | 0 | 0 | 114.1 | L151 A155 L156 G157 S196 | L151-E153 PolarHBondContact O-N 3.37Å; E153-A155 VanDerWaalsContact C-N 3.27Å; E153-A155 PolarHBondContact O-N 3.25Å; E153-L156 PolarHBondContact O-N 3.17Å; E153-G157 PolarHBondContact O-N 2.72Å; E153-S196 WeakPolarHBondContact OE1-CB 3.19Å; E153-S196 PolarHBondContact OE1-OG 3.44Å |
| 154 | P | 93.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 8% | 0.078 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -30.9 | 179.4 | 28.7 | -36.7 | 0 | 0 | 0 | 111.7 | L112 L151 G157 I158 | L112-P154 HydrophobicContact CB-CB 3.85Å; L112-P154 HydrophobicContact CB-CG 3.99Å; L112-P154 HydrophobicContact CD1-CG 4.2Å; L151-P154 WeakPolarHBondContact O-CD 3.15Å; L151-P154 WeakPolarHBondContact O-CG 3.28Å; P154-G157 PolarHBondContact O-N 3.41Å; P154-I158 WeakPolarHBondContact O-CD1 3.12Å; P154-I158 VanDerWaalsContact O-CG1 3.27Å; P154-I158 WeakPolarHBondContact O-CG1 3.21Å; P154-I158 PolarHBondContact O-N 2.99Å |
| 155 | A | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I141 I144 I145 L151 L152 E153 G157 I158 L159 | I141-A155 HydrophobicContact CD1-CB 4.45Å; I141-A155 HydrophobicContact CG2-CB 4.2Å; I141-A155 WeakPolarHBondContact CG2-O 3.41Å; I144-A155 HydrophobicContact CB-CB 4.16Å; I144-A155 HydrophobicContact CG2-CB 3.61Å; I145-A155 HydrophobicContact CD1-CB 4.5Å; I145-A155 HydrophobicContact CG1-CB 3.91Å; L151-A155 VanDerWaalsContact O-CB 3.23Å; L151-A155 WeakPolarHBondContact O-CB 3.06Å; L151-A155 PolarHBondContact O-N 2.96Å; L152-A155 PolarHBondContact O-N 2.66Å; E153-A155 VanDerWaalsContact C-N 3.27Å; E153-A155 PolarHBondContact O-N 3.25Å; A155-G157 VanDerWaalsContact C-N 3.31Å; A155-G157 PolarHBondContact O-N 3.05Å; A155-I158 PolarHBondContact O-N 3.43Å; A155-L159 WeakPolarHBondContact O-CB 3.48Å; A155-L159 PolarHBondContact O-N 3.09Å |
| 156 | L | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 173 | -76.8 | 171.9 | 0 | 0 | 0 | 111.6 | I145 L152 E153 L159 A160 L186 I189 A199 F202 | I145-L156 HydrophobicContact CD1-CD2 3.97Å; I145-L156 HydrophobicContact CD1-CG 4.45Å; I145-L156 HydrophobicContact CG1-CD2 4.24Å; I145-L156 HydrophobicContact CG1-CG 4.38Å; I145-L156 HydrophobicContact CG2-CD2 4.3Å; L152-L156 HydrophobicContact CD1-CD1 3.91Å; L152-L156 HydrophobicContact CD1-CG 4Å; L152-L156 HydrophobicContact CD2-CD1 4.42Å; L152-L156 HydrophobicContact CG-CD1 3.8Å; L152-L156 HydrophobicContact CG-CG 4.29Å; L152-L156 WeakPolarHBondContact O-CB 3.46Å; L152-L156 WeakPolarHBondContact O-CG 3.08Å; L152-L156 PolarHBondContact O-N 3.32Å; E153-L156 PolarHBondContact O-N 3.17Å; L156-L159 PolarHBondContact O-N 2.9Å; L156-A160 WeakPolarHBondContact O-CB 3.28Å; L156-A160 PolarHBondContact O-N 3.37Å; L156-L186 HydrophobicContact CD2-CD2 3.82Å; L156-I189 HydrophobicContact CD1-CD1 4.36Å; L156-I189 HydrophobicContact CD1-CG2 4.3Å; L156-I189 HydrophobicContact CD2-CD1 4.32Å; L156-A199 HydrophobicContact CD1-CB 3.77Å; L156-F202 HydrophobicContact CB-CB 3.82Å; L156-F202 HydrophobicContact CB-CD2 4.2Å; L156-F202 HydrophobicContact CB-CG 4.45Å |
| 157 | G | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E153 P154 A155 L159 A160 N161 | E153-G157 PolarHBondContact O-N 2.72Å; P154-G157 PolarHBondContact O-N 3.41Å; A155-G157 VanDerWaalsContact C-N 3.31Å; A155-G157 PolarHBondContact O-N 3.05Å; G157-L159 VanDerWaalsContact C-N 3.35Å; G157-A160 WeakPolarHBondContact O-CB 3.3Å; G157-A160 PolarHBondContact O-N 3.43Å; G157-N161 VanDerWaalsContact O-CG 3.31Å; G157-N161 PolarHBondContact O-N 3.23Å; G157-N161 VanDerWaalsContact O-N 3.1Å; G157-N161 PolarHBondContact O-ND2 2.91Å |
| 158 | I | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 173.9 | -63.8 | 158.4 | 0 | 0 | 0 | 110.3 | L112 L115 Q116 T119 I141 P154 A155 A160 N161 L162 | L112-I158 HydrophobicContact CB-CD1 4.34Å; L112-I158 HydrophobicContact CD2-CD1 3.76Å; L115-I158 HydrophobicContact CB-CD1 4.04Å; L115-I158 HydrophobicContact CD2-CD1 3.97Å; L115-I158 HydrophobicContact CD2-CG2 4.5Å; L115-I158 HydrophobicContact CG-CD1 3.97Å; L115-I158 HydrophobicContact CG-CG1 4.3Å; L115-I158 HydrophobicContact CG-CG2 4.49Å; Q116-I158 HydrophobicContact CB-CG1 3.79Å; Q116-I158 HydrophobicContact CG-CG1 4.38Å; T119-I158 HydrophobicContact CG2-CG2 4.45Å; I141-I158 HydrophobicContact CD1-CB 4.15Å; I141-I158 HydrophobicContact CD1-CD1 3.58Å; I141-I158 HydrophobicContact CD1-CG1 4.49Å; I141-I158 HydrophobicContact CD1-CG2 4.08Å; I141-I158 HydrophobicContact CG1-CB 4.3Å; I141-I158 HydrophobicContact CG1-CG2 3.82Å; P154-I158 WeakPolarHBondContact O-CD1 3.12Å; P154-I158 VanDerWaalsContact O-CG1 3.27Å; P154-I158 WeakPolarHBondContact O-CG1 3.21Å; P154-I158 PolarHBondContact O-N 2.99Å; A155-I158 PolarHBondContact O-N 3.43Å; I158-A160 VanDerWaalsContact C-N 3.32Å; I158-A160 PolarHBondContact O-N 3.27Å; I158-N161 WeakPolarHBondContact O-CB 3.35Å; I158-N161 PolarHBondContact O-N 2.97Å; I158-L162 HydrophobicContact CG2-CD1 3.88Å; I158-L162 HydrophobicContact CG2-CG 4.15Å; I158-L162 WeakPolarHBondContact O-CG 3.46Å; I158-L162 PolarHBondContact O-N 2.98Å |
| 159 | L | 95.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 178.1 | -175.9 | 62.2 | 0 | 0 | 0 | 111.9 | L138 I141 I142 I145 A155 L156 G157 L162 S163 L182 V206 | L138-L159 HydrophobicContact CD1-CD1 3.46Å; L138-L159 VanDerWaalsContact CD1-CD1 3.46Å; I141-L159 HydrophobicContact CG2-CB 3.93Å; I142-L159 HydrophobicContact CG1-CD1 4.42Å; I145-L159 HydrophobicContact CD1-CB 4Å; I145-L159 HydrophobicContact CD1-CD2 3.5Å; I145-L159 HydrophobicContact CD1-CG 4.35Å; A155-L159 WeakPolarHBondContact O-CB 3.48Å; A155-L159 PolarHBondContact O-N 3.09Å; L156-L159 PolarHBondContact O-N 2.9Å; G157-L159 VanDerWaalsContact C-N 3.35Å; L159-L162 PolarHBondContact O-N 2.98Å; L159-S163 VanDerWaalsContact O-CB 3.27Å; L159-S163 WeakPolarHBondContact O-CB 3.3Å; L159-S163 PolarHBondContact O-N 2.9Å; L159-L182 HydrophobicContact CD2-CD1 3.91Å; L159-L182 HydrophobicContact CD2-CD2 4.47Å; L159-V206 HydrophobicContact CB-CG2 4.16Å; L159-V206 HydrophobicContact CD2-CG1 4.08Å; L159-V206 HydrophobicContact CD2-CG2 4.06Å; L159-V206 HydrophobicContact CG-CG1 4.18Å; L159-V206 HydrophobicContact CG-CG2 3.73Å |
| 160 | A | 94.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.3 | -50.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L156 G157 I158 L162 S163 H164 F202 A205 V206 | L156-A160 WeakPolarHBondContact O-CB 3.28Å; L156-A160 PolarHBondContact O-N 3.37Å; G157-A160 WeakPolarHBondContact O-CB 3.3Å; G157-A160 PolarHBondContact O-N 3.43Å; I158-A160 VanDerWaalsContact C-N 3.32Å; I158-A160 PolarHBondContact O-N 3.27Å; A160-L162 PolarHBondContact O-N 2.87Å; A160-S163 PolarHBondContact O-N 3.44Å; A160-S163 PolarHBondContact O-OG 2.7Å; A160-H164 PolarHBondContact O-CD2 3.12Å; A160-F202 HydrophobicContact CB-CB 4.18Å; A160-F202 HydrophobicContact CB-CD1 4.18Å; A160-A205 HydrophobicContact CB-CB 4.03Å; A160-V206 VanDerWaalsContact CA-CG2 3.5Å; A160-V206 HydrophobicContact CB-CG2 4.03Å |
| 161 | N | 93 | Very high | 91.8 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 177.4 | -66 | -19.4 | 0 | 0 | 0 | 113.2 | Q116 T119 E120 G157 I158 S163 H164 | Q116-N161 PolarHBondContact O-ND2 3.49Å; T119-N161 PolarHBondContact OG1-ND2 3.39Å; E120-N161 WeakPolarHBondContact CA-ND2 3.34Å; E120-N161 PolarHBondContact N-ND2 3.39Å; E120-N161 VanDerWaalsContact N-ND2 3.18Å; G157-N161 VanDerWaalsContact O-CG 3.31Å; G157-N161 PolarHBondContact O-N 3.23Å; G157-N161 VanDerWaalsContact O-N 3.1Å; G157-N161 PolarHBondContact O-ND2 2.91Å; I158-N161 WeakPolarHBondContact O-CB 3.35Å; I158-N161 PolarHBondContact O-N 2.97Å; N161-S163 VanDerWaalsContact C-N 3.31Å; N161-S163 PolarHBondContact O-N 3.35Å; N161-H164 PolarHBondContact O-CD2 2.92Å |
| 162 | L | 93.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.4 | -25 | 179.5 | -65.3 | -180 | 0 | 0 | 0 | 112.7 | T119 F134 A137 L138 I158 L159 A160 H164 F165 | T119-L162 HydrophobicContact CG2-CD2 4.26Å; F134-L162 HydrophobicContact CD2-CD2 3.98Å; F134-L162 HydrophobicContact CE2-CB 3.99Å; F134-L162 HydrophobicContact CE2-CD2 3.69Å; F134-L162 HydrophobicContact CE2-CG 4.32Å; F134-L162 HydrophobicContact CZ-CB 4.1Å; A137-L162 HydrophobicContact CB-CD1 4.38Å; L138-L162 HydrophobicContact CD1-CD1 4.49Å; I158-L162 HydrophobicContact CG2-CD1 3.88Å; I158-L162 HydrophobicContact CG2-CG 4.15Å; I158-L162 WeakPolarHBondContact O-CG 3.46Å; I158-L162 PolarHBondContact O-N 2.98Å; L159-L162 PolarHBondContact O-N 2.98Å; A160-L162 PolarHBondContact O-N 2.87Å; L162-H164 PolarHBondContact O-N 3.02Å; L162-F165 PolarHBondContact O-N 3.08Å |
| 163 | S | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.7 | -22.7 | -177 | 71.5 | 0 | 0 | 0 | 0 | 113.9 | L159 A160 N161 F165 S166 H209 | L159-S163 VanDerWaalsContact O-CB 3.27Å; L159-S163 WeakPolarHBondContact O-CB 3.3Å; L159-S163 PolarHBondContact O-N 2.9Å; A160-S163 PolarHBondContact O-N 3.44Å; A160-S163 PolarHBondContact O-OG 2.7Å; N161-S163 VanDerWaalsContact C-N 3.31Å; N161-S163 PolarHBondContact O-N 3.35Å; S163-F165 PolarHBondContact O-N 3.25Å; S163-S166 PolarHBondContact O-N 3.32Å; S163-H209 WeakPolarHBondContact OG-CB 3.27Å; S163-H209 PolarHBondContact OG-CD2 3.23Å; S163-H209 VanDerWaalsContact OG-CD2 3.25Å |
| 164 | H | 89.2 | Confident | 91.3 | Very high | 40 Ų | 40 | 32.1 Ų | 32.1 | 19% | 0.185 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.8 | 170.1 | -68.9 | -98.6 | 0 | 0 | 0 | 112.2 | H123 A160 N161 L162 S166 H209 D252 | H123-H164 HydrophobicContact CB-CB 3.9Å; H123-H164 AromaticContact CD2-ND1 3.66Å; H123-H164 AromaticContact CE1-CD2 3.78Å; H123-H164 AromaticContact CE1-CE1 3.17Å; H123-H164 PolarHBondContact CE1-CE1 3.5Å; H123-H164 AromaticContact CE1-CG 3.79Å; H123-H164 AromaticContact CE1-ND1 3.43Å; H123-H164 PolarHBondContact CE1-ND1 2.83Å; H123-H164 AromaticContact CE1-NE2 3.39Å; H123-H164 PolarHBondContact CE1-NE2 2.83Å; H123-H164 AromaticContact CG-CG 3.76Å; H123-H164 AromaticContact CG-ND1 3.68Å; H123-H164 AromaticContact ND1-CD2 3.61Å; H123-H164 AromaticContact ND1-CE1 3.69Å; H123-H164 AromaticContact ND1-CG 3.47Å; H123-H164 AromaticContact ND1-ND1 3.54Å; H123-H164 AromaticContact ND1-NE2 3.73Å; H123-H164 AromaticContact NE2-CE1 3.42Å; H123-H164 PolarHBondContact NE2-CE1 3.45Å; H123-H164 AromaticContact NE2-ND1 3.5Å; H123-H164 PolarHBondContact NE2-ND1 3.23Å; A160-H164 PolarHBondContact O-CD2 3.12Å; N161-H164 PolarHBondContact O-CD2 2.92Å; L162-H164 PolarHBondContact O-N 3.02Å; H164-S166 PolarHBondContact O-N 3.35Å; H164-H209 AromaticContact CD2-NE2 3.92Å; H164-H209 AromaticContact CE1-CE1 3.24Å; H164-H209 PolarHBondContact CE1-CE1 2.93Å; H164-H209 AromaticContact CE1-NE2 3.3Å; H164-H209 PolarHBondContact CE1-NE2 3.17Å; H164-H209 VanDerWaalsContact CE1-NE2 3.3Å; H164-H209 AromaticContact ND1-CE1 3.48Å; H164-H209 PolarHBondContact ND1-CE1 3.2Å; H164-H209 AromaticContact ND1-ND1 3.84Å; H164-H209 AromaticContact ND1-NE2 3.83Å; H164-H209 AromaticContact NE2-CD2 3.93Å; H164-H209 AromaticContact NE2-CE1 3.8Å; H164-H209 AromaticContact NE2-NE2 3.37Å; H164-H209 PolarHBondContact NE2-NE2 2.75Å; H164-D252 IonicContact CE1-OD2 2.68Å; H164-D252 PolarHBondContact CE1-OD2 2.86Å; H164-D252 IonicContact ND1-OD2 3.8Å |
| 165 | F | 89 | Confident | 91 | Very high | 45 Ų | 45 | 37 Ų | 37 | 20% | 0.197 | 19% | 0.188 | C | C | . | . | trans | -83.8 | 52.6 | 176 | -55.4 | -85 | 0 | 0 | 0 | 111.4 | L122 H123 I129 F134 L162 S163 N167 L168 V169 | L122-F165 HydrophobicContact CB-CE2 4.15Å; L122-F165 HydrophobicContact CB-CZ 3.95Å; H123-F165 HydrophobicContact CB-CE2 4.47Å; H123-F165 HydrophobicContact CB-CZ 4.1Å; I129-F165 HydrophobicContact CD1-CD2 4.35Å; I129-F165 HydrophobicContact CD1-CE1 4.36Å; I129-F165 HydrophobicContact CD1-CE2 3.76Å; I129-F165 HydrophobicContact CD1-CZ 3.76Å; F134-F165 HydrophobicContact CE2-CB 3.69Å; F134-F165 AromaticContact CE2-CD2 3.85Å; F134-F165 HydrophobicContact CE2-CD2 3.85Å; F134-F165 AromaticContact CE2-CG 3.99Å; F134-F165 HydrophobicContact CE2-CG 3.99Å; F134-F165 HydrophobicContact CZ-CB 3.89Å; L162-F165 PolarHBondContact O-N 3.08Å; S163-F165 PolarHBondContact O-N 3.25Å; F165-N167 PolarHBondContact O-N 3.17Å; F165-L168 HydrophobicContact CB-CB 4.16Å; F165-L168 HydrophobicContact CB-CD1 4.09Å; F165-L168 HydrophobicContact CB-CG 4.38Å; F165-L168 HydrophobicContact CD1-CD1 4.41Å; F165-L168 HydrophobicContact CG-CD1 4.43Å; F165-L168 WeakPolarHBondContact O-CA 3.44Å; F165-L168 PolarHBondContact O-N 3.09Å; F165-V169 PolarHBondContact O-N 3.13Å | ||
| 166 | S | 86 | Confident | 90.6 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 23% | 0.231 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -52.6 | -31.8 | -171.8 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | S163 H164 K170 | S163-S166 PolarHBondContact O-N 3.32Å; H164-S166 PolarHBondContact O-N 3.35Å; S166-K170 WeakPolarHBondContact O-CB 3.5Å; S166-K170 WeakPolarHBondContact O-CD 3.4Å; S166-K170 WeakPolarHBondContact O-CG 3.32Å; S166-K170 PolarHBondContact O-N 2.91Å |
| 167 | N | 86.5 | Confident | 90.3 | Very high | 109 Ų | 109 | 50 Ų | 50 | 58% | 0.583 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.6 | -45.4 | 173.7 | -70.3 | -25.7 | 0 | 0 | 0 | 112.7 | F165 V169 K170 Q171 | F165-N167 PolarHBondContact O-N 3.17Å; N167-V169 VanDerWaalsContact C-N 3.35Å; N167-K170 PolarHBondContact O-N 3.06Å; N167-Q171 VanDerWaalsContact O-CG 3.27Å; N167-Q171 WeakPolarHBondContact O-CG 3.4Å; N167-Q171 PolarHBondContact O-N 3.2Å |
| 168 | L | 90.1 | Very high | 90 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69 | -34.8 | 176.5 | -67 | 178.1 | 0 | 0 | 0 | 111.4 | P131 F134 F165 Q171 T172 | P131-L168 HydrophobicContact CB-CD2 4.32Å; P131-L168 HydrophobicContact CG-CD2 4.35Å; F134-L168 HydrophobicContact CB-CD1 4.39Å; F134-L168 HydrophobicContact CD1-CB 3.62Å; F134-L168 HydrophobicContact CD1-CD1 4.32Å; F134-L168 HydrophobicContact CD2-CB 4.37Å; F134-L168 HydrophobicContact CD2-CD1 3.85Å; F134-L168 HydrophobicContact CE1-CB 3.43Å; F134-L168 VanDerWaalsContact CE1-CB 3.43Å; F134-L168 HydrophobicContact CE2-CB 4.21Å; F134-L168 HydrophobicContact CE2-CD1 4.18Å; F134-L168 HydrophobicContact CG-CB 4.1Å; F134-L168 HydrophobicContact CG-CD1 3.93Å; F134-L168 HydrophobicContact CZ-CB 3.76Å; F165-L168 HydrophobicContact CB-CB 4.16Å; F165-L168 HydrophobicContact CB-CD1 4.09Å; F165-L168 HydrophobicContact CB-CG 4.38Å; F165-L168 HydrophobicContact CD1-CD1 4.41Å; F165-L168 HydrophobicContact CG-CD1 4.43Å; F165-L168 WeakPolarHBondContact O-CA 3.44Å; F165-L168 PolarHBondContact O-N 3.09Å; L168-Q171 PolarHBondContact O-N 3.32Å; L168-T172 WeakPolarHBondContact O-CB 3.05Å; L168-T172 PolarHBondContact O-N 2.9Å; L168-T172 PolarHBondContact O-OG1 3.18Å |
| 169 | V | 91.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | F134 L138 F165 N167 Q171 T172 L173 F179 L210 | F134-V169 HydrophobicContact CE1-CG2 4.1Å; F134-V169 HydrophobicContact CZ-CG2 3.8Å; L138-V169 HydrophobicContact CD2-CB 4.38Å; L138-V169 HydrophobicContact CD2-CG1 4.18Å; L138-V169 HydrophobicContact CD2-CG2 4.26Å; F165-V169 PolarHBondContact O-N 3.13Å; N167-V169 VanDerWaalsContact C-N 3.35Å; V169-Q171 VanDerWaalsContact C-N 3.3Å; V169-Q171 PolarHBondContact O-N 3.47Å; V169-T172 PolarHBondContact O-N 2.8Å; V169-T172 VanDerWaalsContact O-N 3.11Å; V169-L173 HydrophobicContact CG1-CD1 3.96Å; V169-L173 HydrophobicContact CG1-CG 4.4Å; V169-L173 PolarHBondContact O-N 3.19Å; V169-F179 HydrophobicContact CG1-CE1 4.18Å; V169-F179 HydrophobicContact CG1-CZ 4.12Å; V169-L210 HydrophobicContact CB-CD2 4.16Å; V169-L210 HydrophobicContact CG1-CD2 3.83Å; V169-L210 HydrophobicContact CG2-CD2 4.3Å |
| 170 | K | 88.3 | Confident | 89.3 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 48% | 0.478 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -33.6 | 177.2 | -73.1 | 167.1 | -175 | 169.6 | 0 | 113.2 | S166 N167 T172 F179 | S166-K170 WeakPolarHBondContact O-CB 3.5Å; S166-K170 WeakPolarHBondContact O-CD 3.4Å; S166-K170 WeakPolarHBondContact O-CG 3.32Å; S166-K170 PolarHBondContact O-N 2.91Å; N167-K170 PolarHBondContact O-N 3.06Å; K170-T172 VanDerWaalsContact C-N 3.35Å; K170-F179 HydrophobicContact CB-CZ 4.49Å; K170-F179 HydrophobicContact CG-CE2 4.44Å; K170-F179 HydrophobicContact CG-CZ 3.84Å |
| 171 | Q | 87.6 | Confident | 89.1 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 60% | 0.598 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.3 | -32.3 | 174 | -74.6 | 173.6 | 8.9 | 0 | 0 | 112.4 | N167 L168 V169 T174 | N167-Q171 VanDerWaalsContact O-CG 3.27Å; N167-Q171 WeakPolarHBondContact O-CG 3.4Å; N167-Q171 PolarHBondContact O-N 3.2Å; L168-Q171 PolarHBondContact O-N 3.32Å; V169-Q171 VanDerWaalsContact C-N 3.3Å; V169-Q171 PolarHBondContact O-N 3.47Å; Q171-T174 WeakPolarHBondContact O-CG2 3.37Å |
| 172 | T | 89.8 | Confident | 89 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -82 | -50 | 179.5 | -57 | 0 | 0 | 0 | 0 | 111.8 | S135 L138 L168 V169 K170 T174 | S135-T172 VanDerWaalsContact OG-CG2 3.31Å; S135-T172 WeakPolarHBondContact OG-CG2 3.43Å; L138-T172 HydrophobicContact CD2-CG2 3.81Å; L168-T172 WeakPolarHBondContact O-CB 3.05Å; L168-T172 PolarHBondContact O-N 2.9Å; L168-T172 PolarHBondContact O-OG1 3.18Å; V169-T172 PolarHBondContact O-N 2.8Å; V169-T172 VanDerWaalsContact O-N 3.11Å; K170-T172 VanDerWaalsContact C-N 3.35Å; T172-T174 PolarHBondContact O-N 2.88Å |
| 173 | L | 90 | Very high | 88.9 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | trans | -89.1 | 76.8 | 178.9 | -58.7 | -176.7 | 0 | 0 | 0 | 110.1 | L138 I142 V169 K175 D178 F179 L182 | L138-L173 HydrophobicContact CD2-CG 4.28Å; I142-L173 HydrophobicContact CD1-CD1 3.83Å; I142-L173 HydrophobicContact CD1-CD2 3.77Å; I142-L173 HydrophobicContact CD1-CG 4.29Å; V169-L173 HydrophobicContact CG1-CD1 3.96Å; V169-L173 HydrophobicContact CG1-CG 4.4Å; V169-L173 PolarHBondContact O-N 3.19Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 3.32Å; L173-D178 HydrophobicContact CB-CB 4.36Å; L173-D178 HydrophobicContact CD2-CB 4.32Å; L173-F179 HydrophobicContact CB-CD2 4.14Å; L173-F179 HydrophobicContact CB-CE2 3.74Å; L173-F179 HydrophobicContact CB-CZ 4.12Å; L173-F179 WeakPolarHBondContact O-CE2 3.39Å; L173-L182 HydrophobicContact CD1-CD2 4.42Å | ||
| 174 | T | 85 | Confident | 88.8 | Confident | 113 Ų | 113 | 66.7 Ų | 66.7 | 69% | 0.693 | 34% | 0.338 | S | S | * | . | trans | -72.8 | -23.4 | -172.4 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | Q171 T172 | Q171-T174 WeakPolarHBondContact O-CG2 3.37Å; T172-T174 PolarHBondContact O-N 2.88Å | ||
| 175 | K | 86.7 | Confident | 88.9 | Confident | 115 Ų | 115 | 65 Ų | 65 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -92.9 | 139.8 | -176.7 | -57.6 | 174.3 | -178 | 167.5 | 0 | 111.1 | L173 E177 D178 | L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 3.32Å; K175-E177 PolarHBondContact O-N 3.07Å; K175-D178 WeakPolarHBondContact CB-OD2 3.24Å; K175-D178 PolarHBondContact O-N 2.99Å |
| 176 | K | 86.3 | Confident | 89.2 | Confident | 158 Ų | 158 | 62.9 Ų | 62.9 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.1 | -36.7 | 173 | -173.7 | -176.6 | 176 | -170.9 | 0 | 111.9 | D178 F179 E180 | K176-D178 VanDerWaalsContact C-N 3.27Å; K176-D178 PolarHBondContact O-N 2.89Å; K176-F179 PolarHBondContact O-N 3.42Å; K176-E180 HydrophobicContact CG-CG 4.31Å; K176-E180 WeakPolarHBondContact O-CG 3.39Å; K176-E180 PolarHBondContact O-N 3.09Å |
| 177 | E | 89.4 | Confident | 89.4 | Confident | 114 Ų | 114 | 65.2 Ų | 65.2 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.1 | -39.7 | 178 | -65.8 | 169.6 | -175.1 | 0 | 0 | 112 | K175 F179 E180 A181 | K175-E177 PolarHBondContact O-N 3.07Å; E177-F179 PolarHBondContact O-N 3.06Å; E177-E180 PolarHBondContact O-N 3.03Å; E177-A181 VanDerWaalsContact O-CB 3.24Å; E177-A181 WeakPolarHBondContact O-CB 3.25Å; E177-A181 PolarHBondContact O-N 3.01Å |
| 178 | D | 88 | Confident | 89.6 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 33% | 0.326 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 180 | -57 | -25.2 | 0 | 0 | 0 | 110.9 | L173 K175 K176 L182 | L173-D178 HydrophobicContact CB-CB 4.36Å; L173-D178 HydrophobicContact CD2-CB 4.32Å; K175-D178 WeakPolarHBondContact CB-OD2 3.24Å; K175-D178 PolarHBondContact O-N 2.99Å; K176-D178 VanDerWaalsContact C-N 3.27Å; K176-D178 PolarHBondContact O-N 2.89Å; D178-L182 WeakPolarHBondContact O-CB 3.46Å; D178-L182 PolarHBondContact O-N 3.26Å |
| 179 | F | 87.9 | Confident | 89.7 | Confident | 36 Ų | 36 | 67.2 Ų | 67.2 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 175.5 | -85.4 | -79.2 | 0 | 0 | 0 | 112.8 | V169 K170 L173 K176 E177 L182 R183 L210 W211 | V169-F179 HydrophobicContact CG1-CE1 4.18Å; V169-F179 HydrophobicContact CG1-CZ 4.12Å; K170-F179 HydrophobicContact CB-CZ 4.49Å; K170-F179 HydrophobicContact CG-CE2 4.44Å; K170-F179 HydrophobicContact CG-CZ 3.84Å; L173-F179 HydrophobicContact CB-CD2 4.14Å; L173-F179 HydrophobicContact CB-CE2 3.74Å; L173-F179 HydrophobicContact CB-CZ 4.12Å; L173-F179 WeakPolarHBondContact O-CE2 3.39Å; K176-F179 PolarHBondContact O-N 3.42Å; E177-F179 PolarHBondContact O-N 3.06Å; F179-L182 PolarHBondContact O-N 3.41Å; F179-R183 WeakPolarHBondContact O-CB 3.26Å; F179-R183 PolarHBondContact O-N 2.97Å; F179-L210 HydrophobicContact CE1-CD1 4.37Å; F179-W211 HydrophobicContact CD1-CZ2 4.05Å |
| 180 | E | 88.9 | Confident | 89.6 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 38% | 0.383 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.9 | -37.2 | 178.4 | -66.4 | -66.2 | 176.6 | 0 | 0 | 111.8 | K176 E177 R183 S184 | K176-E180 HydrophobicContact CG-CG 4.31Å; K176-E180 WeakPolarHBondContact O-CG 3.39Å; K176-E180 PolarHBondContact O-N 3.09Å; E177-E180 PolarHBondContact O-N 3.03Å; E180-R183 PolarHBondContact O-N 3.37Å; E180-S184 VanDerWaalsContact O-CB 3.3Å; E180-S184 WeakPolarHBondContact O-CB 3.42Å; E180-S184 PolarHBondContact O-N 2.75Å; E180-S184 PolarHBondContact O-OG 3.18Å |
| 181 | A | 89.8 | Confident | 89.7 | Confident | 48 Ų | 48 | 66.9 Ų | 66.9 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E177 R183 S184 C185 | E177-A181 VanDerWaalsContact O-CB 3.24Å; E177-A181 WeakPolarHBondContact O-CB 3.25Å; E177-A181 PolarHBondContact O-N 3.01Å; A181-R183 PolarHBondContact O-N 2.87Å; A181-S184 PolarHBondContact O-N 3.25Å; A181-C185 WeakPolarHBondContact O-CB 3.42Å; A181-C185 PolarHBondContact O-N 3.19Å |
| 182 | L | 92.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 175.5 | 180 | 59.7 | 0 | 0 | 0 | 111.4 | L159 L173 D178 F179 S184 C185 L186 L210 W211 | L159-L182 HydrophobicContact CD2-CD1 3.91Å; L159-L182 HydrophobicContact CD2-CD2 4.47Å; L173-L182 HydrophobicContact CD1-CD2 4.42Å; D178-L182 WeakPolarHBondContact O-CB 3.46Å; D178-L182 PolarHBondContact O-N 3.26Å; F179-L182 PolarHBondContact O-N 3.41Å; L182-S184 VanDerWaalsContact C-N 3.3Å; L182-S184 PolarHBondContact O-N 3.34Å; L182-C185 PolarHBondContact O-N 2.91Å; L182-L186 HydrophobicContact CD1-CD1 4.22Å; L182-L186 HydrophobicContact CD1-CG 4.18Å; L182-L186 HydrophobicContact CG-CD1 4.09Å; L182-L186 HydrophobicContact CG-CG 4.48Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 3.43Å; L182-L210 HydrophobicContact CD2-CD1 3.95Å; L182-W211 HydrophobicContact CG-CH2 4.49Å |
| 183 | R | 91.3 | Very high | 89.5 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 23% | 0.234 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 179 | -167.1 | 177.2 | -173.9 | -176.4 | 0.3 | 112.5 | F179 E180 A181 L187 R207 W211 D215 | F179-R183 WeakPolarHBondContact O-CB 3.26Å; F179-R183 PolarHBondContact O-N 2.97Å; E180-R183 PolarHBondContact O-N 3.37Å; A181-R183 PolarHBondContact O-N 2.87Å; R183-L187 WeakPolarHBondContact O-CB 3.33Å; R183-L187 PolarHBondContact O-N 3.49Å; R183-L187 VanDerWaalsContact O-N 3.09Å; R183-R207 PolarHBondContact O-NH1 2.92Å; R183-W211 HydrophobicContact CB-CH2 3.71Å; R183-W211 HydrophobicContact CB-CZ2 3.66Å; R183-W211 HydrophobicContact CB-CZ3 4.4Å; R183-W211 HydrophobicContact CG-CH2 4.07Å; R183-W211 HydrophobicContact CG-CZ2 4.05Å; R183-W211 HydrophobicContact CG-CZ3 4.32Å; R183-D215 IonicContact CZ-OD1 2.96Å; R183-D215 IonicContact CZ-OD2 3.36Å; R183-D215 IonicContact NE-OD1 3.41Å; R183-D215 IonicContact NE-OD2 2.88Å; R183-D215 PolarHBondContact NE-OD2 3.27Å; R183-D215 IonicContact NH2-OD1 3.46Å; R183-D215 PolarHBondContact NH2-OD1 3.1Å; R183-D215 IonicContact NH2-OD2 2.69Å |
| 184 | S | 91.3 | Very high | 89.4 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 52% | 0.524 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.9 | -40.7 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | E180 A181 L182 L187 R188 | E180-S184 VanDerWaalsContact O-CB 3.3Å; E180-S184 WeakPolarHBondContact O-CB 3.42Å; E180-S184 PolarHBondContact O-N 2.75Å; E180-S184 PolarHBondContact O-OG 3.18Å; A181-S184 PolarHBondContact O-N 3.25Å; L182-S184 VanDerWaalsContact C-N 3.3Å; L182-S184 PolarHBondContact O-N 3.34Å; S184-L187 PolarHBondContact O-N 2.87Å; S184-R188 PolarHBondContact O-N 3.07Å |
| 185 | C | 92.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 175.7 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | A181 L182 L187 R188 I189 | A181-C185 WeakPolarHBondContact O-CB 3.42Å; A181-C185 PolarHBondContact O-N 3.19Å; L182-C185 PolarHBondContact O-N 2.91Å; C185-L187 VanDerWaalsContact C-N 3.34Å; C185-L187 PolarHBondContact O-N 2.94Å; C185-R188 WeakPolarHBondContact O-CB 3.3Å; C185-R188 PolarHBondContact O-N 3.45Å; C185-I189 WeakPolarHBondContact O-CG1 3.21Å; C185-I189 PolarHBondContact O-N 3.07Å |
| 186 | L | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 177 | -66.6 | 171.6 | 0 | 0 | 0 | 112.1 | L156 L182 R188 I189 I190 V206 R207 W211 | L156-L186 HydrophobicContact CD2-CD2 3.82Å; L182-L186 HydrophobicContact CD1-CD1 4.22Å; L182-L186 HydrophobicContact CD1-CG 4.18Å; L182-L186 HydrophobicContact CG-CD1 4.09Å; L182-L186 HydrophobicContact CG-CG 4.48Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 3.43Å; L186-R188 VanDerWaalsContact C-N 3.33Å; L186-R188 PolarHBondContact O-N 3.41Å; L186-I189 PolarHBondContact O-N 2.9Å; L186-I190 WeakPolarHBondContact O-CB 3.07Å; L186-I190 WeakPolarHBondContact O-CD1 2.99Å; L186-I190 VanDerWaalsContact O-CG1 3.26Å; L186-I190 WeakPolarHBondContact O-CG1 3.36Å; L186-I190 PolarHBondContact O-N 2.89Å; L186-V206 HydrophobicContact CD1-CB 4.03Å; L186-V206 HydrophobicContact CD1-CG1 3.55Å; L186-R207 HydrophobicContact CB-CG 4.38Å; L186-R207 HydrophobicContact CD1-CG 4.04Å; L186-W211 HydrophobicContact CD1-CH2 4.39Å; L186-W211 HydrophobicContact CD1-CZ3 4.08Å |
| 187 | L | 90.6 | Very high | 89.7 | Confident | 81 Ų | 81 | 70.8 Ų | 70.8 | 42% | 0.424 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 176.9 | -174.5 | 62.8 | 0 | 0 | 0 | 111.7 | R183 S184 C185 I190 S191 | R183-L187 WeakPolarHBondContact O-CB 3.33Å; R183-L187 PolarHBondContact O-N 3.49Å; R183-L187 VanDerWaalsContact O-N 3.09Å; S184-L187 PolarHBondContact O-N 2.87Å; C185-L187 VanDerWaalsContact C-N 3.34Å; C185-L187 PolarHBondContact O-N 2.94Å; L187-I190 PolarHBondContact O-N 2.76Å; L187-S191 VanDerWaalsContact O-CB 3.28Å; L187-S191 WeakPolarHBondContact O-CB 3.26Å; L187-S191 PolarHBondContact O-N 3.35Å; L187-S191 PolarHBondContact O-OG 2.52Å |
| 188 | R | 91.3 | Very high | 89.7 | Confident | 164 Ų | 164 | 66.7 Ų | 66.7 | 62% | 0.619 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 175.3 | -179.7 | -178.7 | 61.9 | 150.9 | 1.4 | 111.5 | S184 C185 L186 S192 | S184-R188 PolarHBondContact O-N 3.07Å; C185-R188 WeakPolarHBondContact O-CB 3.3Å; C185-R188 PolarHBondContact O-N 3.45Å; L186-R188 VanDerWaalsContact C-N 3.33Å; L186-R188 PolarHBondContact O-N 3.41Å; R188-S192 PolarHBondContact O-N 2.72Å |
| 189 | I | 91.5 | Very high | 89.9 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.5 | -51.7 | 176.1 | -66.7 | 162.8 | 0 | 0 | 0 | 110 | I145 L152 L156 C185 L186 S191 S192 V195 A199 | I145-I189 HydrophobicContact CG2-CD1 4.23Å; L152-I189 HydrophobicContact CD1-CD1 4.13Å; L156-I189 HydrophobicContact CD1-CD1 4.36Å; L156-I189 HydrophobicContact CD1-CG2 4.3Å; L156-I189 HydrophobicContact CD2-CD1 4.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.21Å; C185-I189 PolarHBondContact O-N 3.07Å; L186-I189 PolarHBondContact O-N 2.9Å; I189-S191 VanDerWaalsContact C-N 3.25Å; I189-S191 PolarHBondContact O-N 2.74Å; I189-S192 VanDerWaalsContact O-CB 3.31Å; I189-S192 WeakPolarHBondContact O-CB 3.5Å; I189-S192 PolarHBondContact O-N 3.42Å; I189-S192 VanDerWaalsContact O-N 3.13Å; I189-V195 HydrophobicContact CG2-CG2 3.9Å; I189-V195 WeakPolarHBondContact O-CB 3.49Å; I189-V195 WeakPolarHBondContact O-CG2 3.45Å; I189-A199 HydrophobicContact CG2-CB 4.29Å |
| 190 | I | 90.6 | Very high | 90.1 | Very high | 22 Ų | 22 | 63.9 Ų | 63.9 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.8 | -34.5 | -179.2 | -69.3 | 161.3 | 0 | 0 | 0 | 112.1 | L186 L187 S192 L200 V204 F217 | L186-I190 WeakPolarHBondContact O-CB 3.07Å; L186-I190 WeakPolarHBondContact O-CD1 2.99Å; L186-I190 VanDerWaalsContact O-CG1 3.26Å; L186-I190 WeakPolarHBondContact O-CG1 3.36Å; L186-I190 PolarHBondContact O-N 2.89Å; L187-I190 PolarHBondContact O-N 2.76Å; I190-S192 VanDerWaalsContact C-N 3.31Å; I190-L200 HydrophobicContact CB-CD1 4.29Å; I190-L200 HydrophobicContact CG1-CD1 4.12Å; I190-L200 HydrophobicContact CG2-CD1 3.76Å; I190-V204 HydrophobicContact CD1-CG2 4.41Å; I190-F217 HydrophobicContact CD1-CE2 4.47Å; I190-F217 HydrophobicContact CG2-CE2 3.73Å; I190-F217 HydrophobicContact CG2-CZ 4.2Å |
| 191 | S | 88.7 | Confident | 90.3 | Very high | 84 Ų | 84 | 60 Ų | 60 | 59% | 0.587 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.1 | -178.5 | -50.8 | 0 | 0 | 0 | 0 | 113.7 | L187 I189 | L187-S191 VanDerWaalsContact O-CB 3.28Å; L187-S191 WeakPolarHBondContact O-CB 3.26Å; L187-S191 PolarHBondContact O-N 3.35Å; L187-S191 PolarHBondContact O-OG 2.52Å; I189-S191 VanDerWaalsContact C-N 3.25Å; I189-S191 PolarHBondContact O-N 2.74Å |
| 192 | S | 88.9 | Confident | 90.6 | Very high | 55 Ų | 55 | 58 Ų | 58 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | trans | -76.8 | 131.8 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 111 | R188 I189 I190 Q194 V195 | R188-S192 PolarHBondContact O-N 2.72Å; I189-S192 VanDerWaalsContact O-CB 3.31Å; I189-S192 WeakPolarHBondContact O-CB 3.5Å; I189-S192 PolarHBondContact O-N 3.42Å; I189-S192 VanDerWaalsContact O-N 3.13Å; I190-S192 VanDerWaalsContact C-N 3.31Å; S192-Q194 PolarHBondContact O-N 3.07Å; S192-Q194 VanDerWaalsContact O-N 3.16Å; S192-Q194 PolarHBondContact OG-N 2.69Å; S192-V195 WeakPolarHBondContact O-CB 3.29Å; S192-V195 VanDerWaalsContact O-CG1 3.23Å; S192-V195 WeakPolarHBondContact O-CG1 3.4Å; S192-V195 PolarHBondContact O-N 2.77Å; S192-V195 VanDerWaalsContact O-N 3.11Å | ||
| 193 | D | 86.1 | Confident | 90.7 | Very high | 162 Ų | 162 | 58 Ų | 58 | 87% | 0.866 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.3 | 174.9 | -64.9 | -32.2 | 0 | 0 | 0 | 113.1 | ||
| 194 | Q | 85.9 | Confident | 90.8 | Very high | 172 Ų | 172 | 55.2 Ų | 55.2 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 8.8 | 179.3 | -56.8 | -58.2 | -44.7 | 0 | 0 | 112.7 | S192 S196 | S192-Q194 PolarHBondContact O-N 3.07Å; S192-Q194 VanDerWaalsContact O-N 3.16Å; S192-Q194 PolarHBondContact OG-N 2.69Å; Q194-S196 PolarHBondContact O-N 3.49Å |
| 195 | V | 87.4 | Confident | 90.8 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | trans | -63.7 | 127.6 | -179.4 | 72.6 | 0 | 0 | 0 | 0 | 110.2 | I189 S192 A199 L200 | I189-V195 HydrophobicContact CG2-CG2 3.9Å; I189-V195 WeakPolarHBondContact O-CB 3.49Å; I189-V195 WeakPolarHBondContact O-CG2 3.45Å; S192-V195 WeakPolarHBondContact O-CB 3.29Å; S192-V195 VanDerWaalsContact O-CG1 3.23Å; S192-V195 WeakPolarHBondContact O-CG1 3.4Å; S192-V195 PolarHBondContact O-N 2.77Å; S192-V195 VanDerWaalsContact O-N 3.11Å; V195-A199 HydrophobicContact CG2-CB 3.87Å; V195-L200 HydrophobicContact CG1-CB 4.44Å; V195-L200 HydrophobicContact CG2-CB 4.18Å | ||
| 196 | S | 89.2 | Confident | 90.9 | Very high | 36 Ų | 36 | 51.4 Ų | 51.4 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | trans | -71.2 | 157.8 | 173.3 | 75.6 | 0 | 0 | 0 | 0 | 110.8 | E153 Q194 S198 A199 L200 | E153-S196 WeakPolarHBondContact OE1-CB 3.19Å; E153-S196 PolarHBondContact OE1-OG 3.44Å; Q194-S196 PolarHBondContact O-N 3.49Å; S196-S198 PolarHBondContact O-N 3.34Å; S196-A199 PolarHBondContact O-N 3.43Å; S196-A199 WeakPolarHBondContact OG-CB 3.39Å; S196-A199 PolarHBondContact OG-N 3.15Å; S196-A199 VanDerWaalsContact OG-N 3.1Å; S196-L200 WeakPolarHBondContact O-CB 3.49Å; S196-L200 PolarHBondContact O-N 2.97Å | ||
| 197 | R | 88.2 | Confident | 90.9 | Very high | 167 Ų | 167 | 51.8 Ų | 51.8 | 63% | 0.63 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -57 | -39.6 | 175.7 | -67.1 | -179.5 | -178.4 | 174.1 | -0.3 | 111.5 | L200 V201 V233 N236 | R197-L200 PolarHBondContact O-N 2.94Å; R197-V201 WeakPolarHBondContact O-CG2 3.36Å; R197-V201 PolarHBondContact O-N 3.18Å; R197-V233 HydrophobicContact CB-CG2 4.4Å; R197-N236 PolarHBondContact NH1-ND2 2.91Å |
| 198 | S | 90.4 | Very high | 90.9 | Very high | 27 Ų | 27 | 48 Ų | 48 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -51.2 | 178.3 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | S196 L200 V201 F202 C242 | S196-S198 PolarHBondContact O-N 3.34Å; S198-L200 VanDerWaalsContact C-N 3.26Å; S198-L200 PolarHBondContact O-N 3.39Å; S198-V201 PolarHBondContact O-N 3.15Å; S198-F202 WeakPolarHBondContact O-CB 3.35Å; S198-F202 WeakPolarHBondContact O-CD2 3.42Å; S198-F202 VanDerWaalsContact O-CG 3.27Å; S198-F202 WeakPolarHBondContact O-CG 3.42Å; S198-F202 PolarHBondContact O-N 3.28Å; S198-C242 PolarHBondContact OG-SG 2.92Å; S198-C242 VanDerWaalsContact OG-SG 3.38Å |
| 199 | A | 92 | Very high | 90.9 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -37.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L156 I189 V195 S196 S203 | L156-A199 HydrophobicContact CD1-CB 3.77Å; I189-A199 HydrophobicContact CG2-CB 4.29Å; V195-A199 HydrophobicContact CG2-CB 3.87Å; S196-A199 PolarHBondContact O-N 3.43Å; S196-A199 WeakPolarHBondContact OG-CB 3.39Å; S196-A199 PolarHBondContact OG-N 3.15Å; S196-A199 VanDerWaalsContact OG-N 3.1Å; A199-S203 WeakPolarHBondContact O-CB 3.47Å; A199-S203 PolarHBondContact O-N 2.9Å; A199-S203 PolarHBondContact O-OG 3.01Å |
| 200 | L | 92.1 | Very high | 90.9 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 18% | 0.183 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -55.8 | 174.4 | 178.5 | 61 | 0 | 0 | 0 | 111.3 | I190 V195 S196 R197 S198 F202 S203 V204 V229 | I190-L200 HydrophobicContact CB-CD1 4.29Å; I190-L200 HydrophobicContact CG1-CD1 4.12Å; I190-L200 HydrophobicContact CG2-CD1 3.76Å; V195-L200 HydrophobicContact CG1-CB 4.44Å; V195-L200 HydrophobicContact CG2-CB 4.18Å; S196-L200 WeakPolarHBondContact O-CB 3.49Å; S196-L200 PolarHBondContact O-N 2.97Å; R197-L200 PolarHBondContact O-N 2.94Å; S198-L200 VanDerWaalsContact C-N 3.26Å; S198-L200 PolarHBondContact O-N 3.39Å; L200-F202 PolarHBondContact O-N 2.78Å; L200-S203 PolarHBondContact O-N 3.37Å; L200-V204 HydrophobicContact CD1-CG2 4.33Å; L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 3.04Å; L200-V229 HydrophobicContact CD2-CG1 3.79Å |
| 201 | V | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | -178.1 | 172 | 0 | 0 | 0 | 0 | 111.5 | R197 S198 S203 V204 A205 L230 V233 C245 A246 | R197-V201 WeakPolarHBondContact O-CG2 3.36Å; R197-V201 PolarHBondContact O-N 3.18Å; S198-V201 PolarHBondContact O-N 3.15Å; V201-S203 VanDerWaalsContact C-N 3.31Å; V201-S203 PolarHBondContact O-N 3.12Å; V201-V204 PolarHBondContact O-N 3.25Å; V201-A205 PolarHBondContact O-N 3.47Å; V201-L230 HydrophobicContact CG1-CD2 4.25Å; V201-L230 HydrophobicContact CG2-CD2 4.23Å; V201-V233 HydrophobicContact CG2-CB 4.33Å; V201-V233 HydrophobicContact CG2-CG1 4.05Å; V201-V233 HydrophobicContact CG2-CG2 4.23Å; V201-C245 HydrophobicContact CG1-CB 4.26Å; V201-A246 HydrophobicContact CG1-CB 4.01Å; V201-A246 HydrophobicContact CG2-CB 4.47Å |
| 202 | F | 95 | Very high | 90.7 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 179.2 | -62 | -37 | 0 | 0 | 0 | 111.9 | L156 A160 S198 L200 V204 A205 V206 V241 C242 C245 | L156-F202 HydrophobicContact CB-CB 3.82Å; L156-F202 HydrophobicContact CB-CD2 4.2Å; L156-F202 HydrophobicContact CB-CG 4.45Å; A160-F202 HydrophobicContact CB-CB 4.18Å; A160-F202 HydrophobicContact CB-CD1 4.18Å; S198-F202 WeakPolarHBondContact O-CB 3.35Å; S198-F202 WeakPolarHBondContact O-CD2 3.42Å; S198-F202 VanDerWaalsContact O-CG 3.27Å; S198-F202 WeakPolarHBondContact O-CG 3.42Å; S198-F202 PolarHBondContact O-N 3.28Å; L200-F202 PolarHBondContact O-N 2.78Å; F202-V204 PolarHBondContact O-N 3.26Å; F202-A205 PolarHBondContact O-N 2.88Å; F202-V206 WeakPolarHBondContact O-CG2 3.46Å; F202-V206 PolarHBondContact O-N 3.31Å; F202-V241 HydrophobicContact CZ-CG1 4.23Å; F202-C242 HydrophobicContact CE1-CB 4.26Å; F202-C242 HydrophobicContact CZ-CB 3.98Å; F202-C245 HydrophobicContact CD1-CB 4.18Å; F202-C245 HydrophobicContact CE1-CB 3.79Å |
| 203 | S | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | A199 L200 V201 R207 | A199-S203 WeakPolarHBondContact O-CB 3.47Å; A199-S203 PolarHBondContact O-N 2.9Å; A199-S203 PolarHBondContact O-OG 3.01Å; L200-S203 PolarHBondContact O-N 3.37Å; V201-S203 VanDerWaalsContact C-N 3.31Å; V201-S203 PolarHBondContact O-N 3.12Å; S203-R207 VanDerWaalsContact O-CG 3.31Å; S203-R207 WeakPolarHBondContact O-CG 3.44Å; S203-R207 PolarHBondContact O-N 2.91Å |
| 204 | V | 93.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.7 | 178.1 | 0 | 0 | 0 | 0 | 111 | I190 L200 V201 F202 R207 F208 F217 F218 T226 L249 | I190-V204 HydrophobicContact CD1-CG2 4.41Å; L200-V204 HydrophobicContact CD1-CG2 4.33Å; L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 3.04Å; V201-V204 PolarHBondContact O-N 3.25Å; F202-V204 PolarHBondContact O-N 3.26Å; V204-R207 PolarHBondContact O-N 3.47Å; V204-F208 PolarHBondContact O-N 3.39Å; V204-F217 HydrophobicContact CB-CE1 4.39Å; V204-F217 HydrophobicContact CG1-CE1 3.89Å; V204-F217 HydrophobicContact CG2-CE1 3.62Å; V204-F217 HydrophobicContact CG2-CZ 3.74Å; V204-F218 HydrophobicContact CG1-CE1 3.83Å; V204-F218 HydrophobicContact CG1-CZ 3.82Å; V204-T226 HydrophobicContact CG1-CG2 3.78Å; V204-L249 HydrophobicContact CB-CD2 4.31Å; V204-L249 HydrophobicContact CG1-CD2 3.77Å |
| 205 | A | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A160 V201 F202 R207 F208 H209 L249 | A160-A205 HydrophobicContact CB-CB 4.03Å; V201-A205 PolarHBondContact O-N 3.47Å; F202-A205 PolarHBondContact O-N 2.88Å; A205-R207 VanDerWaalsContact C-N 3.26Å; A205-R207 PolarHBondContact O-N 3.4Å; A205-F208 PolarHBondContact O-N 3.39Å; A205-F208 VanDerWaalsContact O-N 3.12Å; A205-H209 PolarHBondContact O-CD2 3Å; A205-H209 PolarHBondContact O-N 3.43Å; A205-L249 HydrophobicContact CB-CD2 4.25Å |
| 206 | V | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -42.4 | 175.2 | 177.4 | 0 | 0 | 0 | 0 | 111 | L159 A160 L186 F202 F208 L210 | L159-V206 HydrophobicContact CB-CG2 4.16Å; L159-V206 HydrophobicContact CD2-CG1 4.08Å; L159-V206 HydrophobicContact CD2-CG2 4.06Å; L159-V206 HydrophobicContact CG-CG1 4.18Å; L159-V206 HydrophobicContact CG-CG2 3.73Å; A160-V206 VanDerWaalsContact CA-CG2 3.5Å; A160-V206 HydrophobicContact CB-CG2 4.03Å; L186-V206 HydrophobicContact CD1-CB 4.03Å; L186-V206 HydrophobicContact CD1-CG1 3.55Å; F202-V206 WeakPolarHBondContact O-CG2 3.46Å; F202-V206 PolarHBondContact O-N 3.31Å; V206-F208 VanDerWaalsContact C-N 3.34Å; V206-F208 PolarHBondContact O-N 3.42Å; V206-L210 HydrophobicContact CG1-CD1 3.8Å; V206-L210 HydrophobicContact CG1-CG 4.35Å; V206-L210 WeakPolarHBondContact O-CB 3.24Å; V206-L210 WeakPolarHBondContact O-CG 3.21Å; V206-L210 PolarHBondContact O-N 3.04Å |
| 207 | R | 93.1 | Very high | 89.2 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 178.5 | -72.7 | -173.8 | 84.8 | 97.7 | -2.8 | 112.2 | R183 L186 S203 V204 A205 W211 D215 | R183-R207 PolarHBondContact O-NH1 2.92Å; L186-R207 HydrophobicContact CB-CG 4.38Å; L186-R207 HydrophobicContact CD1-CG 4.04Å; S203-R207 VanDerWaalsContact O-CG 3.31Å; S203-R207 WeakPolarHBondContact O-CG 3.44Å; S203-R207 PolarHBondContact O-N 2.91Å; V204-R207 PolarHBondContact O-N 3.47Å; A205-R207 VanDerWaalsContact C-N 3.26Å; A205-R207 PolarHBondContact O-N 3.4Å; R207-W211 HydrophobicContact CB-CE3 4.2Å; R207-W211 HydrophobicContact CB-CZ3 4.44Å; R207-W211 HydrophobicContact CG-CE3 4.28Å; R207-W211 HydrophobicContact CG-CZ3 4.12Å; R207-W211 PolarHBondContact O-N 3.38Å; R207-D215 IonicContact CZ-OD1 3.86Å; R207-D215 IonicContact CZ-OD2 3.09Å; R207-D215 IonicContact NE-OD1 3.9Å; R207-D215 IonicContact NE-OD2 2.81Å; R207-D215 PolarHBondContact NE-OD2 3.44Å; R207-D215 VanDerWaalsContact NH2-CG 3.27Å; R207-D215 IonicContact NH2-OD1 2.94Å; R207-D215 PolarHBondContact NH2-OD1 2.9Å; R207-D215 IonicContact NH2-OD2 2.76Å; R207-D215 PolarHBondContact NH2-OD2 2.87Å |
| 208 | F | 91.3 | Very high | 89 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.6 | -51.5 | 177.7 | 179.1 | -110.4 | 0 | 0 | 0 | 111.9 | V204 A205 V206 L210 W211 N212 F218 L249 D252 L253 A256 | V204-F208 PolarHBondContact O-N 3.39Å; A205-F208 PolarHBondContact O-N 3.39Å; A205-F208 VanDerWaalsContact O-N 3.12Å; V206-F208 VanDerWaalsContact C-N 3.34Å; V206-F208 PolarHBondContact O-N 3.42Å; F208-L210 VanDerWaalsContact C-N 3.28Å; F208-L210 PolarHBondContact O-N 2.83Å; F208-W211 PolarHBondContact O-N 3.5Å; F208-N212 WeakPolarHBondContact O-CA 3.35Å; F208-N212 PolarHBondContact O-N 3.31Å; F208-N212 PolarHBondContact O-OD1 3.13Å; F208-N212 VanDerWaalsContact O-OD1 3.13Å; F208-F218 HydrophobicContact CB-CE2 4.13Å; F208-F218 HydrophobicContact CB-CZ 3.8Å; F208-F218 HydrophobicContact CD2-CE2 4.39Å; F208-F218 HydrophobicContact CD2-CZ 4.38Å; F208-L249 HydrophobicContact CB-CD1 3.66Å; F208-L249 HydrophobicContact CD1-CD1 3.49Å; F208-L249 VanDerWaalsContact CD1-CD1 3.49Å; F208-L249 HydrophobicContact CE1-CD1 4.38Å; F208-L249 HydrophobicContact CG-CD1 3.73Å; F208-D252 HydrophobicContact CD1-CB 4.43Å; F208-D252 HydrophobicContact CE1-CB 3.78Å; F208-L253 HydrophobicContact CD1-CG 4.44Å; F208-L253 HydrophobicContact CD2-CD2 3.41Å; F208-L253 VanDerWaalsContact CD2-CD2 3.41Å; F208-L253 HydrophobicContact CD2-CG 4.06Å; F208-L253 HydrophobicContact CE1-CD2 4.49Å; F208-L253 HydrophobicContact CE1-CG 4.28Å; F208-L253 HydrophobicContact CE2-CD2 3.25Å; F208-L253 HydrophobicContact CE2-CG 3.91Å; F208-L253 HydrophobicContact CG-CD2 4.13Å; F208-L253 HydrophobicContact CG-CG 4.32Å; F208-L253 HydrophobicContact CZ-CB 4.37Å; F208-L253 HydrophobicContact CZ-CD2 3.84Å; F208-L253 HydrophobicContact CZ-CG 4.01Å; F208-A256 HydrophobicContact CZ-CB 3.99Å |
| 209 | H | 90.9 | Very high | 88.6 | Confident | 23 Ų | 23 | 29.9 Ų | 29.9 | 11% | 0.106 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.9 | -24.9 | -175.2 | -63.1 | -54.3 | 0 | 0 | 0 | 114.5 | S163 H164 A205 D252 | S163-H209 WeakPolarHBondContact OG-CB 3.27Å; S163-H209 PolarHBondContact OG-CD2 3.23Å; S163-H209 VanDerWaalsContact OG-CD2 3.25Å; H164-H209 AromaticContact CD2-NE2 3.92Å; H164-H209 AromaticContact CE1-CE1 3.24Å; H164-H209 PolarHBondContact CE1-CE1 2.93Å; H164-H209 AromaticContact CE1-NE2 3.3Å; H164-H209 PolarHBondContact CE1-NE2 3.17Å; H164-H209 VanDerWaalsContact CE1-NE2 3.3Å; H164-H209 AromaticContact ND1-CE1 3.48Å; H164-H209 PolarHBondContact ND1-CE1 3.2Å; H164-H209 AromaticContact ND1-ND1 3.84Å; H164-H209 AromaticContact ND1-NE2 3.83Å; H164-H209 AromaticContact NE2-CD2 3.93Å; H164-H209 AromaticContact NE2-CE1 3.8Å; H164-H209 AromaticContact NE2-NE2 3.37Å; H164-H209 PolarHBondContact NE2-NE2 2.75Å; A205-H209 PolarHBondContact O-CD2 3Å; A205-H209 PolarHBondContact O-N 3.43Å; H209-D252 IonicContact CE1-OD2 2.69Å; H209-D252 PolarHBondContact CE1-OD2 3.11Å; H209-D252 IonicContact NE2-OD2 3.13Å |
| 210 | L | 90.7 | Very high | 88 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -92.2 | -31.5 | 178.9 | -61.5 | -175.3 | 0 | 0 | 0 | 113.6 | V169 F179 L182 V206 F208 | V169-L210 HydrophobicContact CB-CD2 4.16Å; V169-L210 HydrophobicContact CG1-CD2 3.83Å; V169-L210 HydrophobicContact CG2-CD2 4.3Å; F179-L210 HydrophobicContact CE1-CD1 4.37Å; L182-L210 HydrophobicContact CD2-CD1 3.95Å; V206-L210 HydrophobicContact CG1-CD1 3.8Å; V206-L210 HydrophobicContact CG1-CG 4.35Å; V206-L210 WeakPolarHBondContact O-CB 3.24Å; V206-L210 WeakPolarHBondContact O-CG 3.21Å; V206-L210 PolarHBondContact O-N 3.04Å; F208-L210 VanDerWaalsContact C-N 3.28Å; F208-L210 PolarHBondContact O-N 2.83Å |
| 211 | W | 89.5 | Confident | 87.6 | Confident | 49 Ų | 49 | 36.8 Ų | 36.8 | 19% | 0.186 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -127 | -4.3 | -173.2 | -61.1 | -75.9 | 0 | 0 | 0 | 115.7 | F179 L182 R183 L186 R207 F208 D215 | F179-W211 HydrophobicContact CD1-CZ2 4.05Å; L182-W211 HydrophobicContact CG-CH2 4.49Å; R183-W211 HydrophobicContact CB-CH2 3.71Å; R183-W211 HydrophobicContact CB-CZ2 3.66Å; R183-W211 HydrophobicContact CB-CZ3 4.4Å; R183-W211 HydrophobicContact CG-CH2 4.07Å; R183-W211 HydrophobicContact CG-CZ2 4.05Å; R183-W211 HydrophobicContact CG-CZ3 4.32Å; L186-W211 HydrophobicContact CD1-CH2 4.39Å; L186-W211 HydrophobicContact CD1-CZ3 4.08Å; R207-W211 HydrophobicContact CB-CE3 4.2Å; R207-W211 HydrophobicContact CB-CZ3 4.44Å; R207-W211 HydrophobicContact CG-CE3 4.28Å; R207-W211 HydrophobicContact CG-CZ3 4.12Å; R207-W211 PolarHBondContact O-N 3.38Å; F208-W211 PolarHBondContact O-N 3.5Å; W211-D215 HydrophobicContact CB-CB 4.08Å |
| 212 | N | 85.2 | Confident | 87.1 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | 51.8 | -155.9 | -177.7 | -64.6 | -1.5 | 0 | 0 | 0 | 113.4 | F208 A214 D215 F218 | F208-N212 WeakPolarHBondContact O-CA 3.35Å; F208-N212 PolarHBondContact O-N 3.31Å; F208-N212 PolarHBondContact O-OD1 3.13Å; F208-N212 VanDerWaalsContact O-OD1 3.13Å; N212-A214 PolarHBondContact O-N 2.97Å; N212-D215 PolarHBondContact O-N 3.04Å; N212-F218 WeakPolarHBondContact O-CD2 3.43Å |
| 213 | S | 79.5 | Confident | 86.7 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -63.8 | -13.1 | 174.9 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | D215 | S213-D215 PolarHBondContact O-N 3.39Š|
| 214 | A | 80.4 | Confident | 86.5 | Confident | 84 Ų | 84 | 42.3 Ų | 42.3 | 69% | 0.694 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -72.5 | -11.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N212 | N212-A214 PolarHBondContact O-N 2.97Š|
| 215 | D | 83 | Confident | 86.3 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -73.5 | 125.6 | 170 | -160 | -24.5 | 0 | 0 | 0 | 110.4 | R183 R207 W211 N212 S213 F217 F218 | R183-D215 IonicContact CZ-OD1 2.96Å; R183-D215 IonicContact CZ-OD2 3.36Å; R183-D215 IonicContact NE-OD1 3.41Å; R183-D215 IonicContact NE-OD2 2.88Å; R183-D215 PolarHBondContact NE-OD2 3.27Å; R183-D215 IonicContact NH2-OD1 3.46Å; R183-D215 PolarHBondContact NH2-OD1 3.1Å; R183-D215 IonicContact NH2-OD2 2.69Å; R207-D215 IonicContact CZ-OD1 3.86Å; R207-D215 IonicContact CZ-OD2 3.09Å; R207-D215 IonicContact NE-OD1 3.9Å; R207-D215 IonicContact NE-OD2 2.81Å; R207-D215 PolarHBondContact NE-OD2 3.44Å; R207-D215 VanDerWaalsContact NH2-CG 3.27Å; R207-D215 IonicContact NH2-OD1 2.94Å; R207-D215 PolarHBondContact NH2-OD1 2.9Å; R207-D215 IonicContact NH2-OD2 2.76Å; R207-D215 PolarHBondContact NH2-OD2 2.87Å; W211-D215 HydrophobicContact CB-CB 4.08Å; N212-D215 PolarHBondContact O-N 3.04Å; S213-D215 PolarHBondContact O-N 3.39Å; D215-F217 HydrophobicContact CB-CB 4.49Å; D215-F217 PolarHBondContact O-N 2.94Å; D215-F217 PolarHBondContact OD1-N 3.28Å; D215-F218 HydrophobicContact CB-CD2 4.06Å; D215-F218 HydrophobicContact CB-CE2 4.38Å; D215-F218 PolarHBondContact O-N 3.4Å |
| 216 | K | 81.8 | Confident | 86.2 | Confident | 154 Ų | 154 | 50.4 Ų | 50.4 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -52.7 | -18.6 | 176.6 | -66.4 | -174.5 | 176.4 | -175.8 | 0 | 114 | F218 E219 | K216-F218 PolarHBondContact O-N 2.92Å; K216-E219 PolarHBondContact O-N 3.02Å |
| 217 | F | 83.4 | Confident | 86 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -56.9 | -33 | 171.4 | -171.9 | -97.2 | 0 | 0 | 0 | 112.9 | I190 V204 D215 N222 T226 | I190-F217 HydrophobicContact CD1-CE2 4.47Å; I190-F217 HydrophobicContact CG2-CE2 3.73Å; I190-F217 HydrophobicContact CG2-CZ 4.2Å; V204-F217 HydrophobicContact CB-CE1 4.39Å; V204-F217 HydrophobicContact CG1-CE1 3.89Å; V204-F217 HydrophobicContact CG2-CE1 3.62Å; V204-F217 HydrophobicContact CG2-CZ 3.74Å; D215-F217 HydrophobicContact CB-CB 4.49Å; D215-F217 PolarHBondContact O-N 2.94Å; D215-F217 PolarHBondContact OD1-N 3.28Å; F217-N222 WeakPolarHBondContact O-CB 3.09Å; F217-T226 HydrophobicContact CE1-CG2 4.02Å; F217-T226 VanDerWaalsContact CE1-OG1 3.28Å; F217-T226 WeakPolarHBondContact CE1-OG1 3.38Å |
| 218 | F | 84 | Confident | 86 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -95.5 | 22.1 | -178.5 | -59.7 | -75 | 0 | 0 | 0 | 113.5 | V204 F208 N212 D215 K216 A223 T226 F260 | V204-F218 HydrophobicContact CG1-CE1 3.83Å; V204-F218 HydrophobicContact CG1-CZ 3.82Å; F208-F218 HydrophobicContact CB-CE2 4.13Å; F208-F218 HydrophobicContact CB-CZ 3.8Å; F208-F218 HydrophobicContact CD2-CE2 4.39Å; F208-F218 HydrophobicContact CD2-CZ 4.38Å; N212-F218 WeakPolarHBondContact O-CD2 3.43Å; D215-F218 HydrophobicContact CB-CD2 4.06Å; D215-F218 HydrophobicContact CB-CE2 4.38Å; D215-F218 PolarHBondContact O-N 3.4Å; K216-F218 PolarHBondContact O-N 2.92Å; F218-A223 WeakPolarHBondContact O-CB 3.49Å; F218-T226 HydrophobicContact CE1-CG2 4.19Å; F218-F260 HydrophobicContact CB-CZ 3.91Å; F218-F260 WeakPolarHBondContact O-CZ 3.47Å |
| 219 | E | 81.5 | Confident | 85.9 | Confident | 110 Ų | 110 | 56.9 Ų | 56.9 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -102.3 | 141.5 | 178 | -68.4 | 178.9 | -176.7 | 0 | 0 | 113 | K216 N222 | K216-E219 PolarHBondContact O-N 3.02Å; E219-N222 WeakPolarHBondContact O-CB 3.27Å; E219-N222 PolarHBondContact O-N 3.41Å |
| 220 | G | 78.1 | Confident | 86.1 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | -134.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N222 A223 | G220-N222 PolarHBondContact O-N 2.96Å; G220-A223 WeakPolarHBondContact O-CB 3.5Å; G220-A223 PolarHBondContact O-N 2.84Å; G220-A223 VanDerWaalsContact O-N 3.15Å |
| 221 | L | 83.5 | Confident | 86.3 | Confident | 126 Ų | 126 | 55.1 Ų | 55.1 | 66% | 0.66 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.2 | -24.3 | -179.2 | -74.3 | 166.2 | 0 | 0 | 0 | 113.5 | A223 H224 R225 | L221-A223 VanDerWaalsContact C-N 3.31Å; L221-H224 PolarHBondContact O-N 3.45Å; L221-R225 WeakPolarHBondContact O-CG 3.4Å; L221-R225 PolarHBondContact O-N 2.86Å; L221-R225 VanDerWaalsContact O-N 3.08Å |
| 222 | N | 84.8 | Confident | 86.4 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.1 | -35.3 | 177.6 | -64.8 | -27.5 | 0 | 0 | 0 | 111 | F217 E219 G220 R225 T226 | F217-N222 WeakPolarHBondContact O-CB 3.09Å; E219-N222 WeakPolarHBondContact O-CB 3.27Å; E219-N222 PolarHBondContact O-N 3.41Å; G220-N222 PolarHBondContact O-N 2.96Å; N222-R225 PolarHBondContact O-N 3.13Å; N222-T226 WeakPolarHBondContact O-CB 3.48Å; N222-T226 PolarHBondContact O-N 3.09Å; N222-T226 PolarHBondContact O-OG1 3.21Å |
| 223 | A | 86.7 | Confident | 86.7 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F218 G220 L221 R225 T226 L227 I264 | F218-A223 WeakPolarHBondContact O-CB 3.49Å; G220-A223 WeakPolarHBondContact O-CB 3.5Å; G220-A223 PolarHBondContact O-N 2.84Å; G220-A223 VanDerWaalsContact O-N 3.15Å; L221-A223 VanDerWaalsContact C-N 3.31Å; A223-R225 PolarHBondContact O-N 3.21Å; A223-T226 WeakPolarHBondContact O-CB 3.49Å; A223-T226 PolarHBondContact O-N 3.11Å; A223-L227 WeakPolarHBondContact O-CG 3.43Å; A223-L227 PolarHBondContact O-N 3.32Å; A223-I264 HydrophobicContact CB-CD1 3.91Å; A223-I264 HydrophobicContact CB-CG2 3.85Å |
| 224 | H | 89.7 | Confident | 87.4 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 176.2 | -71.3 | 169.8 | 0 | 0 | 0 | 112.4 | L221 T226 L227 Q228 I264 S267 F268 | L221-H224 PolarHBondContact O-N 3.45Å; H224-T226 VanDerWaalsContact C-N 3.31Å; H224-T226 PolarHBondContact O-N 3.45Å; H224-L227 PolarHBondContact O-N 2.96Å; H224-Q228 WeakPolarHBondContact O-CB 3.31Å; H224-Q228 PolarHBondContact O-N 3.46Å; H224-I264 PolarHBondContact NE2-O 3.39Å; H224-S267 PolarHBondContact NE2-OG 2.93Å; H224-S267 VanDerWaalsContact NE2-OG 3.1Å; H224-F268 HydrophobicContact CB-CD2 4.03Å; H224-F268 HydrophobicContact CB-CE2 4.46Å |
| 225 | R | 88.4 | Confident | 87.9 | Confident | 161 Ų | 161 | 49.4 Ų | 49.4 | 61% | 0.608 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 174.9 | -73.1 | 176.2 | 179.6 | 178.2 | -0.6 | 111.7 | L221 N222 A223 Q228 V229 | L221-R225 WeakPolarHBondContact O-CG 3.4Å; L221-R225 PolarHBondContact O-N 2.86Å; L221-R225 VanDerWaalsContact O-N 3.08Å; N222-R225 PolarHBondContact O-N 3.13Å; A223-R225 PolarHBondContact O-N 3.21Å; R225-Q228 PolarHBondContact O-N 2.75Å; R225-V229 WeakPolarHBondContact O-CG2 3.44Å; R225-V229 PolarHBondContact O-N 3.22Å |
| 226 | T | 89.3 | Confident | 87.8 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | V204 F217 F218 N222 A223 H224 Q228 V229 L230 | V204-T226 HydrophobicContact CG1-CG2 3.78Å; F217-T226 HydrophobicContact CE1-CG2 4.02Å; F217-T226 VanDerWaalsContact CE1-OG1 3.28Å; F217-T226 WeakPolarHBondContact CE1-OG1 3.38Å; F218-T226 HydrophobicContact CE1-CG2 4.19Å; N222-T226 WeakPolarHBondContact O-CB 3.48Å; N222-T226 PolarHBondContact O-N 3.09Å; N222-T226 PolarHBondContact O-OG1 3.21Å; A223-T226 WeakPolarHBondContact O-CB 3.49Å; A223-T226 PolarHBondContact O-N 3.11Å; H224-T226 VanDerWaalsContact C-N 3.31Å; H224-T226 PolarHBondContact O-N 3.45Å; T226-Q228 VanDerWaalsContact C-N 3.33Å; T226-Q228 PolarHBondContact O-N 3.21Å; T226-V229 PolarHBondContact O-N 2.97Å; T226-L230 HydrophobicContact CG2-CD1 3.99Å; T226-L230 HydrophobicContact CG2-CG 4.3Å; T226-L230 VanDerWaalsContact O-CG 3.29Å; T226-L230 WeakPolarHBondContact O-CG 3.39Å; T226-L230 PolarHBondContact O-N 2.87Å |
| 227 | L | 91.4 | Very high | 87 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.8 | -46.2 | 175.6 | -70 | -173.9 | 0 | 0 | 0 | 111.9 | A223 H224 V229 L230 F231 L250 F261 I264 L265 | A223-L227 WeakPolarHBondContact O-CG 3.43Å; A223-L227 PolarHBondContact O-N 3.32Å; H224-L227 PolarHBondContact O-N 2.96Å; L227-V229 VanDerWaalsContact C-N 3.33Å; L227-V229 PolarHBondContact O-N 2.7Å; L227-L230 PolarHBondContact O-N 3.05Å; L227-F231 HydrophobicContact CB-CD2 4.41Å; L227-F231 HydrophobicContact CB-CE2 4.5Å; L227-F231 VanDerWaalsContact O-CD2 3.23Å; L227-F231 WeakPolarHBondContact O-CD2 2.94Å; L227-F231 PolarHBondContact O-N 3.21Å; L227-L250 HydrophobicContact CD2-CD2 3.74Å; L227-F261 HydrophobicContact CD2-CD2 4.38Å; L227-F261 HydrophobicContact CD2-CE2 3.67Å; L227-F261 HydrophobicContact CD2-CZ 4.49Å; L227-I264 HydrophobicContact CD1-CB 4.42Å; L227-I264 HydrophobicContact CD1-CG2 3.55Å; L227-I264 HydrophobicContact CG-CG2 4.33Å; L227-L265 HydrophobicContact CD1-CD1 4.39Å |
| 228 | Q | 91.9 | Very high | 86.6 | Confident | 90 Ų | 90 | 53.1 Ų | 53.1 | 42% | 0.421 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 178.2 | -172.2 | 177.9 | 5.6 | 0 | 0 | 111.9 | H224 R225 T226 N232 F268 F274 | H224-Q228 WeakPolarHBondContact O-CB 3.31Å; H224-Q228 PolarHBondContact O-N 3.46Å; R225-Q228 PolarHBondContact O-N 2.75Å; T226-Q228 VanDerWaalsContact C-N 3.33Å; T226-Q228 PolarHBondContact O-N 3.21Å; Q228-N232 VanDerWaalsContact O-CB 3.24Å; Q228-N232 WeakPolarHBondContact O-CB 3.38Å; Q228-N232 PolarHBondContact O-N 3.37Å; Q228-N232 PolarHBondContact O-ND2 3.16Å; Q228-F268 HydrophobicContact CB-CE2 4.36Å; Q228-F268 HydrophobicContact CB-CZ 3.75Å; Q228-F268 HydrophobicContact CG-CZ 4.12Å; Q228-F274 HydrophobicContact CG-CZ 4.42Å |
| 229 | V | 91.1 | Very high | 86.3 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | L200 R225 T226 L227 N232 V233 | L200-V229 HydrophobicContact CD2-CG1 3.79Å; R225-V229 WeakPolarHBondContact O-CG2 3.44Å; R225-V229 PolarHBondContact O-N 3.22Å; T226-V229 PolarHBondContact O-N 2.97Å; L227-V229 VanDerWaalsContact C-N 3.33Å; L227-V229 PolarHBondContact O-N 2.7Å; V229-N232 PolarHBondContact O-N 3.21Å; V229-V233 HydrophobicContact CG1-CG2 4.22Å; V229-V233 WeakPolarHBondContact O-CB 3.44Å; V229-V233 VanDerWaalsContact O-CG2 3.25Å; V229-V233 WeakPolarHBondContact O-CG2 3.4Å; V229-V233 PolarHBondContact O-N 2.96Å |
| 230 | L | 93.8 | Very high | 86.5 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -47.8 | -178.4 | -66.2 | 177.2 | 0 | 0 | 0 | 111.7 | V201 T226 L227 V233 L234 A246 L249 L250 L253 | V201-L230 HydrophobicContact CG1-CD2 4.25Å; V201-L230 HydrophobicContact CG2-CD2 4.23Å; T226-L230 HydrophobicContact CG2-CD1 3.99Å; T226-L230 HydrophobicContact CG2-CG 4.3Å; T226-L230 VanDerWaalsContact O-CG 3.29Å; T226-L230 WeakPolarHBondContact O-CG 3.39Å; T226-L230 PolarHBondContact O-N 2.87Å; L227-L230 PolarHBondContact O-N 3.05Å; L230-V233 PolarHBondContact O-N 2.81Å; L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 PolarHBondContact O-N 3.12Å; L230-A246 HydrophobicContact CB-CB 4.35Å; L230-A246 HydrophobicContact CD2-CB 3.89Å; L230-L249 HydrophobicContact CD1-CD2 3.73Å; L230-L249 HydrophobicContact CD1-CG 4.1Å; L230-L249 HydrophobicContact CD2-CD2 3.78Å; L230-L249 HydrophobicContact CG-CD2 4.42Å; L230-L250 HydrophobicContact CB-CD1 4.15Å; L230-L250 HydrophobicContact CB-CD2 4.07Å; L230-L250 HydrophobicContact CB-CG 4.05Å; L230-L250 HydrophobicContact CD1-CD2 4.04Å; L230-L250 HydrophobicContact CD1-CG 4.27Å; L230-L253 HydrophobicContact CD1-CD1 4.29Å |
| 231 | F | 94.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.5 | -80.3 | -65.8 | 0 | 0 | 0 | 112.4 | L227 V233 L234 L235 L250 L265 F274 V278 L296 | L227-F231 HydrophobicContact CB-CD2 4.41Å; L227-F231 HydrophobicContact CB-CE2 4.5Å; L227-F231 VanDerWaalsContact O-CD2 3.23Å; L227-F231 WeakPolarHBondContact O-CD2 2.94Å; L227-F231 PolarHBondContact O-N 3.21Å; F231-V233 PolarHBondContact O-N 3.39Å; F231-L234 PolarHBondContact O-N 2.88Å; F231-L235 HydrophobicContact CB-CD1 4.46Å; F231-L235 HydrophobicContact CD1-CD1 4.34Å; F231-L235 VanDerWaalsContact O-CB 3.32Å; F231-L235 WeakPolarHBondContact O-CB 3.4Å; F231-L235 VanDerWaalsContact O-CG 3.27Å; F231-L235 WeakPolarHBondContact O-CG 3.37Å; F231-L235 PolarHBondContact O-N 2.92Å; F231-L250 HydrophobicContact CD1-CD1 3.83Å; F231-L250 HydrophobicContact CD2-CD2 4.45Å; F231-L250 HydrophobicContact CE1-CD1 3.78Å; F231-L250 HydrophobicContact CE2-CD1 4.47Å; F231-L250 HydrophobicContact CE2-CD2 4.04Å; F231-L250 HydrophobicContact CG-CD1 4.2Å; F231-L250 HydrophobicContact CZ-CD1 4.11Å; F231-L250 HydrophobicContact CZ-CD2 4.13Å; F231-L265 HydrophobicContact CE2-CD1 3.77Å; F231-L265 HydrophobicContact CZ-CD1 3.99Å; F231-F274 HydrophobicContact CB-CB 4.38Å; F231-F274 HydrophobicContact CB-CD1 3.47Å; F231-F274 VanDerWaalsContact CB-CD1 3.47Å; F231-F274 HydrophobicContact CB-CD2 4.24Å; F231-F274 HydrophobicContact CB-CE1 3.64Å; F231-F274 HydrophobicContact CB-CE2 4.41Å; F231-F274 HydrophobicContact CB-CG 3.78Å; F231-F274 HydrophobicContact CB-CZ 4.11Å; F231-F274 HydrophobicContact CD1-CB 3.93Å; F231-F274 HydrophobicContact CD1-CD1 4.43Å; F231-F274 HydrophobicContact CD1-CG 4.25Å; F231-F274 HydrophobicContact CD2-CB 4.3Å; F231-F274 HydrophobicContact CD2-CD2 4.18Å; F231-F274 HydrophobicContact CD2-CG 4.14Å; F231-F274 HydrophobicContact CE1-CB 4.25Å; F231-F274 HydrophobicContact CG-CB 3.96Å; F231-F274 HydrophobicContact CG-CD1 4Å; F231-F274 HydrophobicContact CG-CD2 4.27Å; F231-F274 AromaticContact CG-CG 3.82Å; F231-F274 HydrophobicContact CG-CG 3.82Å; F231-V278 HydrophobicContact CE1-CG2 4.4Å; F231-L296 HydrophobicContact CE1-CD2 4.18Å |
| 232 | N | 93 | Very high | 87.1 | Confident | 64 Ų | 64 | 47.4 Ų | 47.4 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 176.6 | -74 | -15 | 0 | 0 | 0 | 110.5 | Q228 V229 L234 L235 N236 F274 | Q228-N232 VanDerWaalsContact O-CB 3.24Å; Q228-N232 WeakPolarHBondContact O-CB 3.38Å; Q228-N232 PolarHBondContact O-N 3.37Å; Q228-N232 PolarHBondContact O-ND2 3.16Å; V229-N232 PolarHBondContact O-N 3.21Å; N232-L234 VanDerWaalsContact C-N 3.33Å; N232-L234 PolarHBondContact O-N 3.04Å; N232-L235 PolarHBondContact O-N 2.99Å; N232-N236 VanDerWaalsContact O-CB 3.3Å; N232-N236 WeakPolarHBondContact O-CB 3.11Å; N232-N236 PolarHBondContact O-N 3.27Å; N232-N236 PolarHBondContact O-ND2 2.91Å; N232-N236 PolarHBondContact O-OD1 3.3Å; N232-F274 WeakPolarHBondContact OD1-CE1 3.42Å; N232-F274 WeakPolarHBondContact OD1-CZ 3.31Å |
| 233 | V | 92.1 | Very high | 87.4 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | -179.4 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | R197 V201 V229 L230 F231 N236 A246 | R197-V233 HydrophobicContact CB-CG2 4.4Å; V201-V233 HydrophobicContact CG2-CB 4.33Å; V201-V233 HydrophobicContact CG2-CG1 4.05Å; V201-V233 HydrophobicContact CG2-CG2 4.23Å; V229-V233 HydrophobicContact CG1-CG2 4.22Å; V229-V233 WeakPolarHBondContact O-CB 3.44Å; V229-V233 VanDerWaalsContact O-CG2 3.25Å; V229-V233 WeakPolarHBondContact O-CG2 3.4Å; V229-V233 PolarHBondContact O-N 2.96Å; L230-V233 PolarHBondContact O-N 2.81Å; F231-V233 PolarHBondContact O-N 3.39Å; V233-N236 WeakPolarHBondContact CA-ND2 3.4Å; V233-A246 HydrophobicContact CB-CB 4.44Å; V233-A246 HydrophobicContact CG1-CB 4.33Å |
| 234 | L | 93.1 | Very high | 87.5 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.1 | 177.3 | 62.8 | 0 | 0 | 0 | 112.9 | L230 F231 N232 G243 A246 L250 L289 L293 | L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 PolarHBondContact O-N 3.12Å; F231-L234 PolarHBondContact O-N 2.88Å; N232-L234 VanDerWaalsContact C-N 3.33Å; N232-L234 PolarHBondContact O-N 3.04Å; L234-G243 WeakPolarHBondContact CD1-O 3.43Å; L234-A246 HydrophobicContact CB-CB 4.46Å; L234-L250 HydrophobicContact CD2-CD1 4.03Å; L234-L289 HydrophobicContact CD1-CD1 3.59Å; L234-L289 HydrophobicContact CG-CD1 4.43Å; L234-L293 HydrophobicContact CD1-CD2 4.32Å; L234-L293 HydrophobicContact CD2-CD2 3.88Å; L234-L293 HydrophobicContact CG-CD2 4.15Å |
| 235 | L | 91.3 | Very high | 87.6 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -103.2 | 10.1 | -169.5 | -56.9 | 168.1 | 0 | 0 | 0 | 113.7 | F231 N232 G237 F274 E277 V278 Q281 L293 | F231-L235 HydrophobicContact CB-CD1 4.46Å; F231-L235 HydrophobicContact CD1-CD1 4.34Å; F231-L235 VanDerWaalsContact O-CB 3.32Å; F231-L235 WeakPolarHBondContact O-CB 3.4Å; F231-L235 VanDerWaalsContact O-CG 3.27Å; F231-L235 WeakPolarHBondContact O-CG 3.37Å; F231-L235 PolarHBondContact O-N 2.92Å; N232-L235 PolarHBondContact O-N 2.99Å; L235-G237 PolarHBondContact O-N 3.48Å; L235-F274 HydrophobicContact CD1-CD1 3.89Å; L235-E277 HydrophobicContact CB-CG 4.18Å; L235-E277 HydrophobicContact CD1-CB 4.01Å; L235-E277 HydrophobicContact CD1-CG 3.86Å; L235-E277 HydrophobicContact CD2-CG 4.23Å; L235-E277 HydrophobicContact CG-CG 4.31Å; L235-V278 HydrophobicContact CD1-CG2 4.2Å; L235-V278 HydrophobicContact CD2-CG2 4Å; L235-Q281 HydrophobicContact CD2-CB 4.42Å; L235-Q281 HydrophobicContact CD2-CG 3.96Å; L235-L293 HydrophobicContact CD2-CD2 4.2Å |
| 236 | N | 80.9 | Confident | 87.8 | Confident | 74 Ų | 74 | 35.2 Ų | 35.2 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -69.9 | 12.9 | -174.9 | -89.8 | -25.5 | 0 | 0 | 0 | 115.2 | R197 N232 V233 D238 | R197-N236 PolarHBondContact NH1-ND2 2.91Å; N232-N236 VanDerWaalsContact O-CB 3.3Å; N232-N236 WeakPolarHBondContact O-CB 3.11Å; N232-N236 PolarHBondContact O-N 3.27Å; N232-N236 PolarHBondContact O-ND2 2.91Å; N232-N236 PolarHBondContact O-OD1 3.3Å; V233-N236 WeakPolarHBondContact CA-ND2 3.4Å; N236-D238 PolarHBondContact O-N 2.92Å |
| 237 | G | 65.4 | Low | 87.8 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 76.4 | -35.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L235 | L235-G237 PolarHBondContact O-N 3.48Š|
| 238 | D | 73.8 | Confident | 87.7 | Confident | 137 Ų | 137 | 34.8 Ų | 34.8 | 73% | 0.733 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -89.1 | 112 | 174.7 | -69.3 | -27.5 | 0 | 0 | 0 | 110.8 | N236 S240 | N236-D238 PolarHBondContact O-N 2.92Å; D238-S240 PolarHBondContact O-N 3.36Å |
| 239 | V | 79.3 | Confident | 87.7 | Confident | 61 Ų | 61 | 30.6 Ų | 30.6 | 37% | 0.37 | 19% | 0.189 | S | C | . | . | trans | -70.2 | 117.4 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | L244 D286 L289 | V239-L244 HydrophobicContact CG1-CD1 4.47Å; V239-L244 HydrophobicContact CG1-CD2 4.07Å; V239-L244 HydrophobicContact CG1-CG 4.25Å; V239-D286 HydrophobicContact CB-CB 4.35Å; V239-D286 HydrophobicContact CG1-CB 4.41Å; V239-D286 HydrophobicContact CG2-CB 3.64Å; V239-L289 HydrophobicContact CG1-CB 4.32Å; V239-L289 HydrophobicContact CG2-CB 4.13Å; V239-L289 HydrophobicContact CG2-CD2 3.88Å | ||
| 240 | S | 84.4 | Confident | 87.7 | Confident | 45 Ų | 45 | 28.2 Ų | 28.2 | 32% | 0.315 | 18% | 0.175 | S | C | . | . | trans | -132.6 | 156.7 | -179.1 | 58.9 | 0 | 0 | 0 | 0 | 110 | D238 C242 G243 L244 | D238-S240 PolarHBondContact O-N 3.36Å; S240-C242 PolarHBondContact O-N 3.48Å; S240-C242 PolarHBondContact OG-SG 3Å; S240-G243 WeakPolarHBondContact O-CA 2.94Å; S240-G243 PolarHBondContact O-N 3.17Å; S240-G243 PolarHBondContact OG-N 3.41Å; S240-L244 PolarHBondContact O-N 3.42Å | ||
| 241 | V | 85.7 | Confident | 87.4 | Confident | 63 Ų | 63 | 28.1 Ų | 28.1 | 38% | 0.382 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.7 | -36.6 | 177.5 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | Q116 F202 L244 C245 | Q116-V241 HydrophobicContact CG-CG1 4.49Å; F202-V241 HydrophobicContact CZ-CG1 4.23Å; V241-L244 PolarHBondContact O-N 2.97Å; V241-C245 WeakPolarHBondContact O-CB 3.36Å; V241-C245 PolarHBondContact O-N 3.2Å |
| 242 | C | 89 | Confident | 87.1 | Confident | 10 Ų | 10 | 29.7 Ų | 29.7 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.2 | -33.1 | 175.2 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | S198 F202 S240 C245 A246 | S198-C242 PolarHBondContact OG-SG 2.92Å; S198-C242 VanDerWaalsContact OG-SG 3.38Å; F202-C242 HydrophobicContact CE1-CB 4.26Å; F202-C242 HydrophobicContact CZ-CB 3.98Å; S240-C242 PolarHBondContact O-N 3.48Å; S240-C242 PolarHBondContact OG-SG 3Å; C242-C245 PolarHBondContact O-N 2.98Å; C242-A246 WeakPolarHBondContact O-CB 3.48Å; C242-A246 PolarHBondContact O-N 3.5Å |
| 243 | G | 90 | Very high | 86.9 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L234 S240 C245 A246 G247 | L234-G243 WeakPolarHBondContact CD1-O 3.43Å; S240-G243 WeakPolarHBondContact O-CA 2.94Å; S240-G243 PolarHBondContact O-N 3.17Å; S240-G243 PolarHBondContact OG-N 3.41Å; G243-C245 PolarHBondContact O-N 3.39Å; G243-A246 WeakPolarHBondContact O-CB 3.26Å; G243-A246 PolarHBondContact O-N 3.1Å; G243-G247 PolarHBondContact O-N 2.93Å; G243-G247 VanDerWaalsContact O-N 3.08Å |
| 244 | L | 90 | Very high | 86.7 | Confident | 13 Ų | 13 | 26.5 Ų | 26.5 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.1 | -62.1 | 178.7 | 0 | 0 | 0 | 112.2 | V239 S240 V241 A246 G247 E248 L289 K292 | V239-L244 HydrophobicContact CG1-CD1 4.47Å; V239-L244 HydrophobicContact CG1-CD2 4.07Å; V239-L244 HydrophobicContact CG1-CG 4.25Å; S240-L244 PolarHBondContact O-N 3.42Å; V241-L244 PolarHBondContact O-N 2.97Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 3.27Å; L244-G247 PolarHBondContact O-N 3.13Å; L244-E248 PolarHBondContact O-N 3.46Å; L244-L289 HydrophobicContact CD2-CB 4.23Å; L244-K292 HydrophobicContact CD2-CG 4.22Å |
| 245 | C | 91.2 | Very high | 86.3 | Confident | 12 Ų | 12 | 28.5 Ų | 28.5 | 8% | 0.081 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -37.4 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | V201 F202 V241 C242 G243 E248 L249 | V201-C245 HydrophobicContact CG1-CB 4.26Å; F202-C245 HydrophobicContact CD1-CB 4.18Å; F202-C245 HydrophobicContact CE1-CB 3.79Å; V241-C245 WeakPolarHBondContact O-CB 3.36Å; V241-C245 PolarHBondContact O-N 3.2Å; C242-C245 PolarHBondContact O-N 2.98Å; G243-C245 PolarHBondContact O-N 3.39Å; C245-E248 PolarHBondContact O-N 3.32Å; C245-L249 WeakPolarHBondContact O-CB 3.5Å; C245-L249 PolarHBondContact O-N 3.38Å |
| 246 | A | 92.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V201 L230 V233 L234 C242 G243 L244 L249 L250 | V201-A246 HydrophobicContact CG1-CB 4.01Å; V201-A246 HydrophobicContact CG2-CB 4.47Å; L230-A246 HydrophobicContact CB-CB 4.35Å; L230-A246 HydrophobicContact CD2-CB 3.89Å; V233-A246 HydrophobicContact CB-CB 4.44Å; V233-A246 HydrophobicContact CG1-CB 4.33Å; L234-A246 HydrophobicContact CB-CB 4.46Å; C242-A246 WeakPolarHBondContact O-CB 3.48Å; C242-A246 PolarHBondContact O-N 3.5Å; G243-A246 WeakPolarHBondContact O-CB 3.26Å; G243-A246 PolarHBondContact O-N 3.1Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 3.27Å; A246-L249 PolarHBondContact O-N 2.85Å; A246-L250 WeakPolarHBondContact O-CG 3.48Å; A246-L250 PolarHBondContact O-N 3.35Å |
| 247 | G | 90.5 | Very high | 86.1 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G243 L244 L250 G251 | G243-G247 PolarHBondContact O-N 2.93Å; G243-G247 VanDerWaalsContact O-N 3.08Å; L244-G247 PolarHBondContact O-N 3.13Å; G247-L250 PolarHBondContact O-N 3.46Å; G247-G251 PolarHBondContact O-N 2.9Å; G247-G251 VanDerWaalsContact O-N 3.15Å |
| 248 | E | 88.6 | Confident | 87 | Confident | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -48.7 | 173.6 | -177 | 153.2 | -127.3 | 0 | 0 | 112.1 | N121 H123 N124 L244 C245 L250 G251 D252 K292 | N121-E248 PolarHBondContact OD1-OE1 3.45Å; H123-E248 IonicContact CE1-OE1 3.43Å; H123-E248 PolarHBondContact CE1-OE1 3.45Å; H123-E248 IonicContact NE2-OE1 3.86Å; H123-E248 PolarHBondContact NE2-OE1 2.96Å; N124-E248 PolarHBondContact ND2-OE1 3.31Å; L244-E248 PolarHBondContact O-N 3.46Å; C245-E248 PolarHBondContact O-N 3.32Å; E248-L250 VanDerWaalsContact C-N 3.28Å; E248-L250 PolarHBondContact O-N 3.03Å; E248-G251 CarbonylContact O-C 3.59Å; E248-G251 WeakPolarHBondContact O-CA 3.48Å; E248-G251 PolarHBondContact O-N 3.35Å; E248-D252 PolarHBondContact O-N 2.98Å; E248-K292 HydrophobicContact CB-CD 4.23Å; E248-K292 IonicContact OE1-NZ 3.53Å; E248-K292 PolarHBondContact OE1-NZ 2.8Å; E248-K292 IonicContact OE2-NZ 3.01Å; E248-K292 PolarHBondContact OE2-NZ 3.31Å |
| 249 | L | 91.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -38.4 | 177.5 | 177 | 60 | 0 | 0 | 0 | 112.5 | V204 A205 F208 L230 C245 A246 G251 D252 L253 | V204-L249 HydrophobicContact CB-CD2 4.31Å; V204-L249 HydrophobicContact CG1-CD2 3.77Å; A205-L249 HydrophobicContact CB-CD2 4.25Å; F208-L249 HydrophobicContact CB-CD1 3.66Å; F208-L249 HydrophobicContact CD1-CD1 3.49Å; F208-L249 VanDerWaalsContact CD1-CD1 3.49Å; F208-L249 HydrophobicContact CE1-CD1 4.38Å; F208-L249 HydrophobicContact CG-CD1 3.73Å; L230-L249 HydrophobicContact CD1-CD2 3.73Å; L230-L249 HydrophobicContact CD1-CG 4.1Å; L230-L249 HydrophobicContact CD2-CD2 3.78Å; L230-L249 HydrophobicContact CG-CD2 4.42Å; C245-L249 WeakPolarHBondContact O-CB 3.5Å; C245-L249 PolarHBondContact O-N 3.38Å; A246-L249 PolarHBondContact O-N 2.85Å; L249-G251 VanDerWaalsContact C-N 3.34Å; L249-D252 PolarHBondContact O-N 2.89Å; L249-L253 HydrophobicContact CD1-CD1 4.16Å; L249-L253 HydrophobicContact CD1-CG 4.2Å; L249-L253 HydrophobicContact CG-CD1 4.01Å; L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.49Å; L249-L253 WeakPolarHBondContact O-CD1 3.49Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.25Å; L249-L253 PolarHBondContact O-N 3.01Å |
| 250 | L | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 173.7 | -73.6 | 167.3 | 0 | 0 | 0 | 111.7 | L227 L230 F231 L234 A246 G247 E248 S254 F261 L296 | L227-L250 HydrophobicContact CD2-CD2 3.74Å; L230-L250 HydrophobicContact CB-CD1 4.15Å; L230-L250 HydrophobicContact CB-CD2 4.07Å; L230-L250 HydrophobicContact CB-CG 4.05Å; L230-L250 HydrophobicContact CD1-CD2 4.04Å; L230-L250 HydrophobicContact CD1-CG 4.27Å; F231-L250 HydrophobicContact CD1-CD1 3.83Å; F231-L250 HydrophobicContact CD2-CD2 4.45Å; F231-L250 HydrophobicContact CE1-CD1 3.78Å; F231-L250 HydrophobicContact CE2-CD1 4.47Å; F231-L250 HydrophobicContact CE2-CD2 4.04Å; F231-L250 HydrophobicContact CG-CD1 4.2Å; F231-L250 HydrophobicContact CZ-CD1 4.11Å; F231-L250 HydrophobicContact CZ-CD2 4.13Å; L234-L250 HydrophobicContact CD2-CD1 4.03Å; A246-L250 WeakPolarHBondContact O-CG 3.48Å; A246-L250 PolarHBondContact O-N 3.35Å; G247-L250 PolarHBondContact O-N 3.46Å; E248-L250 VanDerWaalsContact C-N 3.28Å; E248-L250 PolarHBondContact O-N 3.03Å; L250-S254 WeakPolarHBondContact O-CB 3.27Å; L250-S254 PolarHBondContact O-N 2.91Å; L250-F261 HydrophobicContact CD2-CE2 4.07Å; L250-F261 HydrophobicContact CD2-CZ 4.17Å; L250-L296 HydrophobicContact CB-CD1 3.96Å; L250-L296 HydrophobicContact CB-CD2 4.39Å; L250-L296 HydrophobicContact CD1-CD2 4.38Å |
| 251 | G | 88.3 | Confident | 88 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G247 E248 L249 S254 S255 | G247-G251 PolarHBondContact O-N 2.9Å; G247-G251 VanDerWaalsContact O-N 3.15Å; E248-G251 CarbonylContact O-C 3.59Å; E248-G251 WeakPolarHBondContact O-CA 3.48Å; E248-G251 PolarHBondContact O-N 3.35Å; L249-G251 VanDerWaalsContact C-N 3.34Å; G251-S254 PolarHBondContact O-N 2.95Å; G251-S255 WeakPolarHBondContact O-CB 3.29Å; G251-S255 PolarHBondContact O-N 3.17Å; G251-S255 PolarHBondContact O-OG 3.2Å |
| 252 | D | 88.3 | Confident | 88.2 | Confident | 34 Ų | 34 | 26.5 Ų | 26.5 | 18% | 0.182 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70 | -39.6 | -179.7 | -68.5 | -31.2 | 0 | 0 | 0 | 112.4 | H164 F208 H209 E248 L249 S254 S255 A256 | H164-D252 IonicContact CE1-OD2 2.68Å; H164-D252 PolarHBondContact CE1-OD2 2.86Å; H164-D252 IonicContact ND1-OD2 3.8Å; F208-D252 HydrophobicContact CD1-CB 4.43Å; F208-D252 HydrophobicContact CE1-CB 3.78Å; H209-D252 IonicContact CE1-OD2 2.69Å; H209-D252 PolarHBondContact CE1-OD2 3.11Å; H209-D252 IonicContact NE2-OD2 3.13Å; E248-D252 PolarHBondContact O-N 2.98Å; L249-D252 PolarHBondContact O-N 2.89Å; D252-S254 VanDerWaalsContact C-N 3.33Å; D252-S254 PolarHBondContact O-N 2.73Å; D252-S255 PolarHBondContact O-N 3.42Å; D252-A256 VanDerWaalsContact O-CB 3.29Å; D252-A256 WeakPolarHBondContact O-CB 3.43Å; D252-A256 PolarHBondContact O-N 2.91Å |
| 253 | L | 88.7 | Confident | 88.1 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 171.2 | -83.5 | 162 | 0 | 0 | 0 | 111 | F208 L230 L249 E257 F261 | F208-L253 HydrophobicContact CD1-CG 4.44Å; F208-L253 HydrophobicContact CD2-CD2 3.41Å; F208-L253 VanDerWaalsContact CD2-CD2 3.41Å; F208-L253 HydrophobicContact CD2-CG 4.06Å; F208-L253 HydrophobicContact CE1-CD2 4.49Å; F208-L253 HydrophobicContact CE1-CG 4.28Å; F208-L253 HydrophobicContact CE2-CD2 3.25Å; F208-L253 HydrophobicContact CE2-CG 3.91Å; F208-L253 HydrophobicContact CG-CD2 4.13Å; F208-L253 HydrophobicContact CG-CG 4.32Å; F208-L253 HydrophobicContact CZ-CB 4.37Å; F208-L253 HydrophobicContact CZ-CD2 3.84Å; F208-L253 HydrophobicContact CZ-CG 4.01Å; L230-L253 HydrophobicContact CD1-CD1 4.29Å; L249-L253 HydrophobicContact CD1-CD1 4.16Å; L249-L253 HydrophobicContact CD1-CG 4.2Å; L249-L253 HydrophobicContact CG-CD1 4.01Å; L249-L253 VanDerWaalsContact O-CB 3.3Å; L249-L253 WeakPolarHBondContact O-CB 3.49Å; L249-L253 WeakPolarHBondContact O-CD1 3.49Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.25Å; L249-L253 PolarHBondContact O-N 3.01Å; L253-E257 PolarHBondContact O-N 2.94Å; L253-F261 HydrophobicContact CB-CD2 3.64Å; L253-F261 HydrophobicContact CB-CE2 3.96Å; L253-F261 HydrophobicContact CB-CG 4.37Å; L253-F261 HydrophobicContact CD1-CE2 4.49Å |
| 254 | S | 87.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 179 | -167.3 | 0 | 0 | 0 | 0 | 112.7 | L250 G251 D252 P258 F261 I299 N303 | L250-S254 WeakPolarHBondContact O-CB 3.27Å; L250-S254 PolarHBondContact O-N 2.91Å; G251-S254 PolarHBondContact O-N 2.95Å; D252-S254 VanDerWaalsContact C-N 3.33Å; D252-S254 PolarHBondContact O-N 2.73Å; S254-P258 VanDerWaalsContact O-CA 3.25Å; S254-P258 WeakPolarHBondContact O-CA 3.32Å; S254-P258 WeakPolarHBondContact O-CB 3.22Å; S254-F261 VanDerWaalsContact CB-CD1 3.42Å; S254-F261 WeakPolarHBondContact OG-CD1 3.5Å; S254-I299 WeakPolarHBondContact OG-CG2 3.31Å; S254-N303 PolarHBondContact O-ND2 3.01Å |
| 255 | S | 83.9 | Confident | 88.1 | Confident | 49 Ų | 49 | 29.8 Ų | 29.8 | 34% | 0.343 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -79.1 | -40.3 | -177.4 | -60.2 | 0 | 0 | 0 | 0 | 113.4 | G251 D252 I299 | G251-S255 WeakPolarHBondContact O-CB 3.29Å; G251-S255 PolarHBondContact O-N 3.17Å; G251-S255 PolarHBondContact O-OG 3.2Å; D252-S255 PolarHBondContact O-N 3.42Å; S255-I299 WeakPolarHBondContact OG-CD1 3.41Å; S255-I299 WeakPolarHBondContact OG-CG2 3.3Å |
| 256 | A | 83.3 | Confident | 88.1 | Confident | 54 Ų | 54 | 31.7 Ų | 31.7 | 45% | 0.446 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -80.6 | -35.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F208 D252 | F208-A256 HydrophobicContact CZ-CB 3.99Å; D252-A256 VanDerWaalsContact O-CB 3.29Å; D252-A256 WeakPolarHBondContact O-CB 3.43Å; D252-A256 PolarHBondContact O-N 2.91Å |
| 257 | E | 84.2 | Confident | 88 | Confident | 65 Ų | 65 | 34.8 Ų | 34.8 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -135.7 | 63.9 | -173.8 | -62.7 | -75.4 | 161.5 | 0 | 0 | 110.3 | L253 E259 F260 F261 | L253-E257 PolarHBondContact O-N 2.94Å; E257-E259 PolarHBondContact O-N 3.47Å; E257-F260 HydrophobicContact CB-CB 4.08Å; E257-F260 HydrophobicContact CB-CD1 4.25Å; E257-F260 PolarHBondContact O-N 3.38Å; E257-F261 PolarHBondContact O-N 3.32Å |
| 258 | P | 84.7 | Confident | 87.9 | Confident | 44 Ų | 44 | 35.3 Ų | 35.3 | 29% | 0.286 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.8 | -48.2 | -169 | 21.3 | -33.2 | 0 | 0 | 0 | 113.1 | S254 F260 F261 T262 N303 | S254-P258 VanDerWaalsContact O-CA 3.25Å; S254-P258 WeakPolarHBondContact O-CA 3.32Å; S254-P258 WeakPolarHBondContact O-CB 3.22Å; P258-F260 VanDerWaalsContact C-N 3.33Å; P258-F260 PolarHBondContact O-N 2.92Å; P258-F261 PolarHBondContact O-N 3.36Å; P258-T262 WeakPolarHBondContact O-CB 3.22Å; P258-T262 PolarHBondContact O-N 2.96Å; P258-T262 PolarHBondContact O-OG1 3.23Å; P258-N303 HydrophobicContact CB-CB 3.85Å |
| 259 | E | 84.8 | Confident | 87.9 | Confident | 176 Ų | 176 | 40.5 Ų | 40.5 | 82% | 0.822 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -59.7 | -43.6 | -179.2 | -64.3 | -179.6 | -177.3 | 0 | 0 | 112.1 | E257 S263 | E257-E259 PolarHBondContact O-N 3.47Å; E259-S263 VanDerWaalsContact O-CB 3.31Å; E259-S263 WeakPolarHBondContact O-CB 3.4Å; E259-S263 PolarHBondContact O-N 3.35Å; E259-S263 VanDerWaalsContact O-N 3.08Å |
| 260 | F | 86.4 | Confident | 87.7 | Confident | 58 Ų | 58 | 42 Ų | 42 | 25% | 0.254 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.6 | -50 | 178.4 | 167 | -96.2 | 0 | 0 | 0 | 111.3 | F218 E257 P258 S263 I264 | F218-F260 HydrophobicContact CB-CZ 3.91Å; F218-F260 WeakPolarHBondContact O-CZ 3.47Å; E257-F260 HydrophobicContact CB-CB 4.08Å; E257-F260 HydrophobicContact CB-CD1 4.25Å; E257-F260 PolarHBondContact O-N 3.38Å; P258-F260 VanDerWaalsContact C-N 3.33Å; P258-F260 PolarHBondContact O-N 2.92Å; F260-S263 PolarHBondContact O-N 2.84Å; F260-I264 HydrophobicContact CD1-CD1 3.99Å; F260-I264 HydrophobicContact CD2-CD1 3.72Å; F260-I264 HydrophobicContact CE1-CD1 3.5Å; F260-I264 VanDerWaalsContact CE1-CD1 3.5Å; F260-I264 HydrophobicContact CE2-CD1 3.22Å; F260-I264 HydrophobicContact CE2-CG1 4.44Å; F260-I264 HydrophobicContact CG-CD1 4.08Å; F260-I264 HydrophobicContact CZ-CD1 3.08Å; F260-I264 WeakPolarHBondContact O-CG1 3.36Å; F260-I264 PolarHBondContact O-N 2.93Å; F260-I264 VanDerWaalsContact O-N 3.09Å |
| 261 | F | 88.2 | Confident | 87.7 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -47.3 | -177.9 | -178.2 | -101.8 | 0 | 0 | 0 | 111.6 | L227 L250 L253 S254 E257 P258 S263 I264 L265 L300 | L227-F261 HydrophobicContact CD2-CD2 4.38Å; L227-F261 HydrophobicContact CD2-CE2 3.67Å; L227-F261 HydrophobicContact CD2-CZ 4.49Å; L250-F261 HydrophobicContact CD2-CE2 4.07Å; L250-F261 HydrophobicContact CD2-CZ 4.17Å; L253-F261 HydrophobicContact CB-CD2 3.64Å; L253-F261 HydrophobicContact CB-CE2 3.96Å; L253-F261 HydrophobicContact CB-CG 4.37Å; L253-F261 HydrophobicContact CD1-CE2 4.49Å; S254-F261 VanDerWaalsContact CB-CD1 3.42Å; S254-F261 WeakPolarHBondContact OG-CD1 3.5Å; E257-F261 PolarHBondContact O-N 3.32Å; P258-F261 PolarHBondContact O-N 3.36Å; F261-S263 VanDerWaalsContact C-N 3.31Å; F261-S263 PolarHBondContact O-N 2.94Å; F261-I264 PolarHBondContact O-N 3.39Å; F261-L265 HydrophobicContact CE1-CD2 3.81Å; F261-L265 HydrophobicContact CZ-CD2 4.24Å; F261-L265 VanDerWaalsContact O-CB 3.3Å; F261-L265 WeakPolarHBondContact O-CB 3.41Å; F261-L265 PolarHBondContact O-N 3.05Å; F261-L300 HydrophobicContact CD1-CD2 4.47Å; F261-L300 HydrophobicContact CE1-CD2 3.8Å |
| 262 | T | 88.7 | Confident | 87.8 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | 177 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | P258 I264 T266 C304 | P258-T262 WeakPolarHBondContact O-CB 3.22Å; P258-T262 PolarHBondContact O-N 2.96Å; P258-T262 PolarHBondContact O-OG1 3.23Å; T262-I264 PolarHBondContact O-N 3.01Å; T262-T266 HydrophobicContact CG2-CG2 4.28Å; T262-T266 WeakPolarHBondContact O-CB 3.37Å; T262-T266 VanDerWaalsContact O-CG2 3.31Å; T262-T266 WeakPolarHBondContact O-CG2 3.33Å; T262-T266 PolarHBondContact O-N 2.86Å; T262-T266 PolarHBondContact O-OG1 3.38Å; T262-C304 HydrophobicContact CG2-CB 4.08Å; T262-C304 PolarHBondContact OG1-SG 3.3Å |
| 263 | S | 88 | Confident | 88 | Confident | 75 Ų | 75 | 51.2 Ų | 51.2 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 113.2 | E259 F260 F261 T266 S267 | E259-S263 VanDerWaalsContact O-CB 3.31Å; E259-S263 WeakPolarHBondContact O-CB 3.4Å; E259-S263 PolarHBondContact O-N 3.35Å; E259-S263 VanDerWaalsContact O-N 3.08Å; F260-S263 PolarHBondContact O-N 2.84Å; F261-S263 VanDerWaalsContact C-N 3.31Å; F261-S263 PolarHBondContact O-N 2.94Å; S263-T266 PolarHBondContact O-OG1 3.08Å; S263-S267 WeakPolarHBondContact O-CB 3.32Å; S263-S267 PolarHBondContact O-N 3.35Å; S263-S267 PolarHBondContact O-OG 3.47Å |
| 264 | I | 88.8 | Confident | 88.2 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.6 | -41.4 | -179.1 | -66.6 | 168.3 | 0 | 0 | 0 | 110.5 | A223 H224 L227 F260 F261 T262 S267 F268 | A223-I264 HydrophobicContact CB-CD1 3.91Å; A223-I264 HydrophobicContact CB-CG2 3.85Å; H224-I264 PolarHBondContact NE2-O 3.39Å; L227-I264 HydrophobicContact CD1-CB 4.42Å; L227-I264 HydrophobicContact CD1-CG2 3.55Å; L227-I264 HydrophobicContact CG-CG2 4.33Å; F260-I264 HydrophobicContact CD1-CD1 3.99Å; F260-I264 HydrophobicContact CD2-CD1 3.72Å; F260-I264 HydrophobicContact CE1-CD1 3.5Å; F260-I264 VanDerWaalsContact CE1-CD1 3.5Å; F260-I264 HydrophobicContact CE2-CD1 3.22Å; F260-I264 HydrophobicContact CE2-CG1 4.44Å; F260-I264 HydrophobicContact CG-CD1 4.08Å; F260-I264 HydrophobicContact CZ-CD1 3.08Å; F260-I264 WeakPolarHBondContact O-CG1 3.36Å; F260-I264 PolarHBondContact O-N 2.93Å; F260-I264 VanDerWaalsContact O-N 3.09Å; F261-I264 PolarHBondContact O-N 3.39Å; T262-I264 PolarHBondContact O-N 3.01Å; I264-S267 WeakPolarHBondContact CA-OG 3.4Å; I264-S267 PolarHBondContact O-N 2.74Å; I264-S267 PolarHBondContact O-OG 2.97Å; I264-F268 WeakPolarHBondContact O-CB 3.46Å; I264-F268 PolarHBondContact O-N 3.37Å; I264-F268 VanDerWaalsContact O-N 3.14Å |
| 265 | L | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 178.7 | -177.1 | 61.8 | 0 | 0 | 0 | 111.1 | L227 F231 F261 S267 F268 H271 L300 L309 | L227-L265 HydrophobicContact CD1-CD1 4.39Å; F231-L265 HydrophobicContact CE2-CD1 3.77Å; F231-L265 HydrophobicContact CZ-CD1 3.99Å; F261-L265 HydrophobicContact CE1-CD2 3.81Å; F261-L265 HydrophobicContact CZ-CD2 4.24Å; F261-L265 VanDerWaalsContact O-CB 3.3Å; F261-L265 WeakPolarHBondContact O-CB 3.41Å; F261-L265 PolarHBondContact O-N 3.05Å; L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 3.08Å; L265-F268 WeakPolarHBondContact O-CB 3.47Å; L265-F268 PolarHBondContact O-N 3.29Å; L265-F268 VanDerWaalsContact O-N 3.13Å; L265-H271 HydrophobicContact CD1-CB 3.84Å; L265-H271 HydrophobicContact CG-CB 4.2Å; L265-H271 WeakPolarHBondContact O-CB 3.34Å; L265-L300 HydrophobicContact CD2-CD2 3.72Å; L265-L309 HydrophobicContact CD2-CD2 3.61Å; L265-L309 HydrophobicContact CG-CD2 4.39Å |
| 266 | T | 90.2 | Very high | 88.8 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.1 | -28.7 | -179.5 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | T262 S263 F268 H271 | T262-T266 HydrophobicContact CG2-CG2 4.28Å; T262-T266 WeakPolarHBondContact O-CB 3.37Å; T262-T266 VanDerWaalsContact O-CG2 3.31Å; T262-T266 WeakPolarHBondContact O-CG2 3.33Å; T262-T266 PolarHBondContact O-N 2.86Å; T262-T266 PolarHBondContact O-OG1 3.38Å; S263-T266 PolarHBondContact O-OG1 3.08Å; T266-F268 VanDerWaalsContact C-N 3.32Å; T266-H271 PolarHBondContact O-CE1 2.92Å |
| 267 | S | 89.4 | Confident | 89.2 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -79.8 | -12.5 | 174.1 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | H224 S263 I264 L265 | H224-S267 PolarHBondContact NE2-OG 2.93Å; H224-S267 VanDerWaalsContact NE2-OG 3.1Å; S263-S267 WeakPolarHBondContact O-CB 3.32Å; S263-S267 PolarHBondContact O-N 3.35Å; S263-S267 PolarHBondContact O-OG 3.47Å; I264-S267 WeakPolarHBondContact CA-OG 3.4Å; I264-S267 PolarHBondContact O-N 2.74Å; I264-S267 PolarHBondContact O-OG 2.97Å; L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 3.08Å |
| 268 | F | 89.4 | Confident | 89.6 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -80 | 121 | -179.9 | 177.6 | -130.9 | 0 | 0 | 0 | 110.8 | H224 Q228 I264 L265 T266 A270 H271 F274 | H224-F268 HydrophobicContact CB-CD2 4.03Å; H224-F268 HydrophobicContact CB-CE2 4.46Å; Q228-F268 HydrophobicContact CB-CE2 4.36Å; Q228-F268 HydrophobicContact CB-CZ 3.75Å; Q228-F268 HydrophobicContact CG-CZ 4.12Å; I264-F268 WeakPolarHBondContact O-CB 3.46Å; I264-F268 PolarHBondContact O-N 3.37Å; I264-F268 VanDerWaalsContact O-N 3.14Å; L265-F268 WeakPolarHBondContact O-CB 3.47Å; L265-F268 PolarHBondContact O-N 3.29Å; L265-F268 VanDerWaalsContact O-N 3.13Å; T266-F268 VanDerWaalsContact C-N 3.32Å; F268-A270 VanDerWaalsContact C-N 3.26Å; F268-A270 HydrophobicContact CE1-CB 4.03Å; F268-A270 HydrophobicContact CZ-CB 4.03Å; F268-A270 PolarHBondContact O-N 3.4Å; F268-H271 HydrophobicContact CD1-CB 4.42Å; F268-H271 WeakPolarHBondContact O-CB 3.45Å; F268-H271 PolarHBondContact O-N 2.86Å; F268-H271 VanDerWaalsContact O-N 3.14Å; F268-H271 PolarHBondContact O-ND1 3.39Å; F268-F274 HydrophobicContact CD1-CD2 4.38Å; F268-F274 HydrophobicContact CD1-CE2 4.49Å; F268-F274 AromaticContact CE1-CD2 3.58Å; F268-F274 HydrophobicContact CE1-CD2 3.58Å; F268-F274 AromaticContact CE1-CE2 3.35Å; F268-F274 HydrophobicContact CE1-CE2 3.35Å; F268-F274 HydrophobicContact CZ-CD2 4.42Å; F268-F274 AromaticContact CZ-CE2 3.75Å; F268-F274 HydrophobicContact CZ-CE2 3.75Å |
| 269 | P | 87.7 | Confident | 90 | Very high | 119 Ų | 119 | 47.5 Ų | 47.5 | 77% | 0.773 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -30.8 | -168.8 | -29.2 | 36 | 0 | 0 | 0 | 116 | ||
| 270 | A | 88.9 | Confident | 90.2 | Very high | 34 Ų | 34 | 40 Ų | 40 | 28% | 0.281 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F268 K272 T273 F274 | F268-A270 VanDerWaalsContact C-N 3.26Å; F268-A270 HydrophobicContact CE1-CB 4.03Å; F268-A270 HydrophobicContact CZ-CB 4.03Å; F268-A270 PolarHBondContact O-N 3.4Å; A270-K272 VanDerWaalsContact C-N 3.32Å; A270-K272 PolarHBondContact O-N 2.93Å; A270-T273 WeakPolarHBondContact O-CB 3.45Å; A270-T273 PolarHBondContact O-N 3.47Å; A270-T273 VanDerWaalsContact O-N 3.13Å; A270-F274 HydrophobicContact CB-CD2 3.97Å; A270-F274 HydrophobicContact CB-CE2 3.68Å; A270-F274 VanDerWaalsContact O-CD2 3.25Å; A270-F274 WeakPolarHBondContact O-CD2 3.37Å; A270-F274 PolarHBondContact O-N 3.27Å; A270-F274 VanDerWaalsContact O-N 3.1Å |
| 271 | H | 91.2 | Very high | 90.4 | Very high | 28 Ų | 28 | 39.1 Ų | 39.1 | 13% | 0.13 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.4 | -43.8 | -173.2 | 69.1 | -84.6 | 0 | 0 | 0 | 113.1 | L265 T266 F268 T273 F274 I275 | L265-H271 HydrophobicContact CD1-CB 3.84Å; L265-H271 HydrophobicContact CG-CB 4.2Å; L265-H271 WeakPolarHBondContact O-CB 3.34Å; T266-H271 PolarHBondContact O-CE1 2.92Å; F268-H271 HydrophobicContact CD1-CB 4.42Å; F268-H271 WeakPolarHBondContact O-CB 3.45Å; F268-H271 PolarHBondContact O-N 2.86Å; F268-H271 VanDerWaalsContact O-N 3.14Å; F268-H271 PolarHBondContact O-ND1 3.39Å; H271-T273 PolarHBondContact O-N 3.17Å; H271-F274 PolarHBondContact O-N 3.46Å; H271-I275 WeakPolarHBondContact O-CG1 3.09Å; H271-I275 PolarHBondContact O-N 3.17Å |
| 272 | K | 91.1 | Very high | 90.6 | Very high | 103 Ų | 103 | 39 Ų | 39 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 178.8 | -67.9 | -164.6 | 175.5 | -173.4 | 0 | 112.4 | A270 F274 I275 Q276 Y312 | A270-K272 VanDerWaalsContact C-N 3.32Å; A270-K272 PolarHBondContact O-N 2.93Å; K272-F274 VanDerWaalsContact C-N 3.32Å; K272-F274 PolarHBondContact O-N 2.97Å; K272-I275 PolarHBondContact O-N 2.66Å; K272-Q276 WeakPolarHBondContact O-CB 3.42Å; K272-Q276 PolarHBondContact O-N 2.77Å; K272-Y312 HydrophobicContact CB-CD1 4.5Å; K272-Y312 HydrophobicContact CB-CE1 3.71Å; K272-Y312 HydrophobicContact CD-CD1 4.48Å; K272-Y312 HydrophobicContact CD-CD2 4.21Å; K272-Y312 HydrophobicContact CD-CE1 4.28Å; K272-Y312 HydrophobicContact CD-CE2 4.01Å; K272-Y312 HydrophobicContact CD-CG 4.44Å; K272-Y312 HydrophobicContact CG-CD1 4.13Å; K272-Y312 HydrophobicContact CG-CE1 3.82Å; K272-Y312 HydrophobicContact CG-CE2 4.44Å; K272-Y312 PolarHBondContact O-OH 3.31Å |
| 273 | T | 91.2 | Very high | 90.6 | Very high | 95 Ų | 95 | 45.9 Ų | 45.9 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.9 | -42.2 | 176.9 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | A270 H271 Q276 E277 | A270-T273 WeakPolarHBondContact O-CB 3.45Å; A270-T273 PolarHBondContact O-N 3.47Å; A270-T273 VanDerWaalsContact O-N 3.13Å; H271-T273 PolarHBondContact O-N 3.17Å; T273-Q276 PolarHBondContact O-N 2.64Å; T273-E277 WeakPolarHBondContact O-CB 3.19Å; T273-E277 PolarHBondContact O-N 3.5Å |
| 274 | F | 93.1 | Very high | 90.5 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 176.7 | -73.8 | -58.2 | 0 | 0 | 0 | 112.8 | Q228 F231 N232 L235 F268 A270 H271 K272 Q276 E277 V278 | Q228-F274 HydrophobicContact CG-CZ 4.42Å; F231-F274 HydrophobicContact CB-CB 4.38Å; F231-F274 HydrophobicContact CB-CD1 3.47Å; F231-F274 VanDerWaalsContact CB-CD1 3.47Å; F231-F274 HydrophobicContact CB-CD2 4.24Å; F231-F274 HydrophobicContact CB-CE1 3.64Å; F231-F274 HydrophobicContact CB-CE2 4.41Å; F231-F274 HydrophobicContact CB-CG 3.78Å; F231-F274 HydrophobicContact CB-CZ 4.11Å; F231-F274 HydrophobicContact CD1-CB 3.93Å; F231-F274 HydrophobicContact CD1-CD1 4.43Å; F231-F274 HydrophobicContact CD1-CG 4.25Å; F231-F274 HydrophobicContact CD2-CB 4.3Å; F231-F274 HydrophobicContact CD2-CD2 4.18Å; F231-F274 HydrophobicContact CD2-CG 4.14Å; F231-F274 HydrophobicContact CE1-CB 4.25Å; F231-F274 HydrophobicContact CG-CB 3.96Å; F231-F274 HydrophobicContact CG-CD1 4Å; F231-F274 HydrophobicContact CG-CD2 4.27Å; F231-F274 AromaticContact CG-CG 3.82Å; F231-F274 HydrophobicContact CG-CG 3.82Å; N232-F274 WeakPolarHBondContact OD1-CE1 3.42Å; N232-F274 WeakPolarHBondContact OD1-CZ 3.31Å; L235-F274 HydrophobicContact CD1-CD1 3.89Å; F268-F274 HydrophobicContact CD1-CD2 4.38Å; F268-F274 HydrophobicContact CD1-CE2 4.49Å; F268-F274 AromaticContact CE1-CD2 3.58Å; F268-F274 HydrophobicContact CE1-CD2 3.58Å; F268-F274 AromaticContact CE1-CE2 3.35Å; F268-F274 HydrophobicContact CE1-CE2 3.35Å; F268-F274 HydrophobicContact CZ-CD2 4.42Å; F268-F274 AromaticContact CZ-CE2 3.75Å; F268-F274 HydrophobicContact CZ-CE2 3.75Å; A270-F274 HydrophobicContact CB-CD2 3.97Å; A270-F274 HydrophobicContact CB-CE2 3.68Å; A270-F274 VanDerWaalsContact O-CD2 3.25Å; A270-F274 WeakPolarHBondContact O-CD2 3.37Å; A270-F274 PolarHBondContact O-N 3.27Å; A270-F274 VanDerWaalsContact O-N 3.1Å; H271-F274 PolarHBondContact O-N 3.46Å; K272-F274 VanDerWaalsContact C-N 3.32Å; K272-F274 PolarHBondContact O-N 2.97Å; F274-Q276 VanDerWaalsContact C-N 3.34Å; F274-E277 PolarHBondContact O-N 3.4Å; F274-V278 VanDerWaalsContact O-CG2 3.28Å; F274-V278 WeakPolarHBondContact O-CG2 3.48Å; F274-V278 PolarHBondContact O-N 3.35Å |
| 275 | I | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -39.7 | 176.7 | -63.9 | -53.8 | 0 | 0 | 0 | 111.3 | H271 K272 E277 V278 V279 L300 L309 Y312 I313 L316 | H271-I275 WeakPolarHBondContact O-CG1 3.09Å; H271-I275 PolarHBondContact O-N 3.17Å; K272-I275 PolarHBondContact O-N 2.66Å; I275-E277 VanDerWaalsContact C-N 3.35Å; I275-E277 PolarHBondContact O-N 2.88Å; I275-V278 WeakPolarHBondContact O-CB 3.49Å; I275-V278 PolarHBondContact O-N 3.33Å; I275-V279 WeakPolarHBondContact O-CG2 3.42Å; I275-V279 PolarHBondContact O-N 3.12Å; I275-L300 HydrophobicContact CD1-CD1 3.58Å; I275-L309 HydrophobicContact CG1-CD1 4.24Å; I275-Y312 HydrophobicContact CB-CE1 4.29Å; I275-Y312 HydrophobicContact CG2-CD1 4.36Å; I275-Y312 HydrophobicContact CG2-CE1 4.24Å; I275-I313 HydrophobicContact CG2-CG1 3.75Å; I275-L316 HydrophobicContact CG2-CD1 3.93Å |
| 276 | Q | 91.8 | Very high | 90 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 173.7 | -175.4 | 179.7 | 0.3 | 0 | 0 | 112.1 | K272 T273 F274 V279 T280 L316 | K272-Q276 WeakPolarHBondContact O-CB 3.42Å; K272-Q276 PolarHBondContact O-N 2.77Å; T273-Q276 PolarHBondContact O-N 2.64Å; F274-Q276 VanDerWaalsContact C-N 3.34Å; Q276-V279 PolarHBondContact O-N 2.95Å; Q276-T280 PolarHBondContact O-N 3.08Å; Q276-T280 PolarHBondContact O-OG1 2.91Å; Q276-L316 HydrophobicContact CB-CD1 4.38Å; Q276-L316 HydrophobicContact CB-CD2 4.38Å; Q276-L316 HydrophobicContact CG-CD2 4.15Å |
| 277 | E | 90.9 | Very high | 89.6 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 175.2 | -173.8 | 60.6 | -152.7 | 0 | 0 | 111.4 | L235 T273 F274 I275 V279 T280 Q281 | L235-E277 HydrophobicContact CB-CG 4.18Å; L235-E277 HydrophobicContact CD1-CB 4.01Å; L235-E277 HydrophobicContact CD1-CG 3.86Å; L235-E277 HydrophobicContact CD2-CG 4.23Å; L235-E277 HydrophobicContact CG-CG 4.31Å; T273-E277 WeakPolarHBondContact O-CB 3.19Å; T273-E277 PolarHBondContact O-N 3.5Å; F274-E277 PolarHBondContact O-N 3.4Å; I275-E277 VanDerWaalsContact C-N 3.35Å; I275-E277 PolarHBondContact O-N 2.88Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 3.44Å; E277-T280 WeakPolarHBondContact O-CB 3.38Å; E277-T280 PolarHBondContact O-N 3.43Å; E277-T280 VanDerWaalsContact O-N 3.1Å; E277-Q281 HydrophobicContact CG-CG 4.31Å; E277-Q281 WeakPolarHBondContact O-CB 3.46Å; E277-Q281 VanDerWaalsContact O-CG 3.27Å; E277-Q281 WeakPolarHBondContact O-CG 3.44Å; E277-Q281 PolarHBondContact O-N 3.26Å; E277-Q281 PolarHBondContact OE1-NE2 3.48Å |
| 278 | V | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.2 | -46.4 | 172.6 | 164.5 | 0 | 0 | 0 | 0 | 111.1 | F231 L235 F274 I275 Q281 L282 L293 L296 L297 | F231-V278 HydrophobicContact CE1-CG2 4.4Å; L235-V278 HydrophobicContact CD1-CG2 4.2Å; L235-V278 HydrophobicContact CD2-CG2 4Å; F274-V278 VanDerWaalsContact O-CG2 3.28Å; F274-V278 WeakPolarHBondContact O-CG2 3.48Å; F274-V278 PolarHBondContact O-N 3.35Å; I275-V278 WeakPolarHBondContact O-CB 3.49Å; I275-V278 PolarHBondContact O-N 3.33Å; V278-Q281 PolarHBondContact O-N 2.79Å; V278-L282 PolarHBondContact O-N 3.42Å; V278-L293 HydrophobicContact CB-CD2 4.39Å; V278-L293 HydrophobicContact CG1-CB 4.25Å; V278-L293 HydrophobicContact CG1-CD2 3.97Å; V278-L293 HydrophobicContact CG2-CD2 4.12Å; V278-L296 HydrophobicContact CG2-CD2 4.47Å; V278-L297 HydrophobicContact CG1-CD1 4.04Å; V278-L297 HydrophobicContact CG1-CD2 3.89Å; V278-L297 HydrophobicContact CG1-CG 3.79Å |
| 279 | V | 92.5 | Very high | 89.2 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 175.8 | 174 | 0 | 0 | 0 | 0 | 111.1 | I275 Q276 E277 Q281 L282 L297 L316 F317 S341 | I275-V279 WeakPolarHBondContact O-CG2 3.42Å; I275-V279 PolarHBondContact O-N 3.12Å; Q276-V279 PolarHBondContact O-N 2.95Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 3.44Å; V279-Q281 VanDerWaalsContact C-N 3.28Å; V279-Q281 PolarHBondContact O-N 2.95Å; V279-L282 WeakPolarHBondContact O-CB 3.11Å; V279-L282 WeakPolarHBondContact O-CG 3.47Å; V279-L282 PolarHBondContact O-N 3.28Å; V279-L297 HydrophobicContact CG2-CD1 4.23Å; V279-L297 HydrophobicContact CG2-CD2 4.21Å; V279-L316 HydrophobicContact CG2-CB 4.39Å; V279-L316 HydrophobicContact CG2-CD1 4.03Å; V279-F317 HydrophobicContact CG1-CE1 4.44Å; V279-F317 HydrophobicContact CG1-CE2 4.31Å; V279-F317 HydrophobicContact CG1-CZ 4.1Å; V279-F317 HydrophobicContact CG2-CE2 3.79Å; V279-F317 HydrophobicContact CG2-CZ 4.11Å; V279-S341 WeakPolarHBondContact CG1-OG 3.48Å |
| 280 | T | 89.4 | Confident | 89.3 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -37.8 | 177.7 | -53 | 0 | 0 | 0 | 0 | 111.9 | Q276 E277 L282 R283 Y336 | Q276-T280 PolarHBondContact O-N 3.08Å; Q276-T280 PolarHBondContact O-OG1 2.91Å; E277-T280 WeakPolarHBondContact O-CB 3.38Å; E277-T280 PolarHBondContact O-N 3.43Å; E277-T280 VanDerWaalsContact O-N 3.1Å; T280-L282 VanDerWaalsContact C-N 3.26Å; T280-L282 PolarHBondContact O-N 3.41Å; T280-R283 WeakPolarHBondContact O-CD 3.46Å; T280-R283 VanDerWaalsContact O-CG 3.24Å; T280-R283 WeakPolarHBondContact O-CG 3.45Å; T280-R283 PolarHBondContact O-NE 3.33Å; T280-Y336 PolarHBondContact OG1-OH 2.9Å |
| 281 | Q | 90.1 | Very high | 89.2 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -77.1 | -4.7 | -178 | -69.4 | -68 | -18.2 | 0 | 0 | 113.8 | L235 E277 V278 V279 R283 A284 L293 | L235-Q281 HydrophobicContact CD2-CB 4.42Å; L235-Q281 HydrophobicContact CD2-CG 3.96Å; E277-Q281 HydrophobicContact CG-CG 4.31Å; E277-Q281 WeakPolarHBondContact O-CB 3.46Å; E277-Q281 VanDerWaalsContact O-CG 3.27Å; E277-Q281 WeakPolarHBondContact O-CG 3.44Å; E277-Q281 PolarHBondContact O-N 3.26Å; E277-Q281 PolarHBondContact OE1-NE2 3.48Å; V278-Q281 PolarHBondContact O-N 2.79Å; V279-Q281 VanDerWaalsContact C-N 3.28Å; V279-Q281 PolarHBondContact O-N 2.95Å; Q281-R283 PolarHBondContact O-N 3.47Å; Q281-R283 VanDerWaalsContact O-N 3.15Å; Q281-A284 WeakPolarHBondContact O-CB 3.36Å; Q281-A284 PolarHBondContact O-N 2.94Å; Q281-L293 HydrophobicContact CB-CD1 3.53Å |
| 282 | L | 91.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -61.7 | -19.9 | 171.3 | -66.5 | 176.7 | 0 | 0 | 0 | 113.3 | V278 V279 T280 A284 L293 I294 L297 F317 T344 L345 | V278-L282 PolarHBondContact O-N 3.42Å; V279-L282 WeakPolarHBondContact O-CB 3.11Å; V279-L282 WeakPolarHBondContact O-CG 3.47Å; V279-L282 PolarHBondContact O-N 3.28Å; T280-L282 VanDerWaalsContact C-N 3.26Å; T280-L282 PolarHBondContact O-N 3.41Å; L282-A284 VanDerWaalsContact C-N 3.27Å; L282-L293 HydrophobicContact CD2-CB 3.89Å; L282-I294 HydrophobicContact CD2-CG1 3.77Å; L282-L297 HydrophobicContact CD1-CD1 3.96Å; L282-L297 HydrophobicContact CD2-CD1 4.39Å; L282-F317 HydrophobicContact CD1-CE1 4.02Å; L282-F317 HydrophobicContact CD1-CZ 3.67Å; L282-T344 HydrophobicContact CB-CG2 4.1Å; L282-L345 HydrophobicContact CD1-CD2 4.08Å |
| 283 | R | 88.8 | Confident | 89.2 | Confident | 159 Ų | 159 | 41.4 Ų | 41.4 | 60% | 0.6 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -82.4 | -0.1 | 173.8 | 77.6 | -162.1 | 173.5 | 176.9 | -3.8 | 114 | T280 Q281 T344 | T280-R283 WeakPolarHBondContact O-CD 3.46Å; T280-R283 VanDerWaalsContact O-CG 3.24Å; T280-R283 WeakPolarHBondContact O-CG 3.45Å; T280-R283 PolarHBondContact O-NE 3.33Å; Q281-R283 PolarHBondContact O-N 3.47Å; Q281-R283 VanDerWaalsContact O-N 3.15Å; R283-T344 HydrophobicContact CB-CG2 4.34Å |
| 284 | A | 87.4 | Confident | 89.2 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 21% | 0.207 | 18% | 0.177 | C | C | . | . | trans | -59.9 | 148.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q281 L282 D286 L289 V290 | Q281-A284 WeakPolarHBondContact O-CB 3.36Å; Q281-A284 PolarHBondContact O-N 2.94Å; L282-A284 VanDerWaalsContact C-N 3.27Å; A284-D286 VanDerWaalsContact C-N 3.28Å; A284-L289 HydrophobicContact CB-CD2 4.1Å; A284-V290 HydrophobicContact CB-CG2 4.25Å | ||
| 285 | K | 83.9 | Confident | 89 | Confident | 212 Ų | 212 | 37.2 Ų | 37.2 | 92% | 0.922 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -76.9 | -19 | 177.5 | -67.1 | -176.5 | 178.6 | 179.8 | 0 | 112.9 | T287 | K285-T287 PolarHBondContact O-N 3.18Š|
| 286 | D | 84.6 | Confident | 88.8 | Confident | 56 Ų | 56 | 37.2 Ų | 37.2 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | trans | -78.9 | 116.8 | -176.8 | -171.5 | -81 | 0 | 0 | 0 | 111 | V239 A284 S288 L289 V290 | V239-D286 HydrophobicContact CB-CB 4.35Å; V239-D286 HydrophobicContact CG1-CB 4.41Å; V239-D286 HydrophobicContact CG2-CB 3.64Å; A284-D286 VanDerWaalsContact C-N 3.28Å; D286-S288 WeakPolarHBondContact OD1-CA 3.5Å; D286-S288 WeakPolarHBondContact OD1-CB 3.38Å; D286-S288 PolarHBondContact OD1-N 3.38Å; D286-L289 HydrophobicContact CB-CB 4.15Å; D286-L289 PolarHBondContact OD1-N 3.03Å; D286-V290 VanDerWaalsContact O-CG2 3.27Å; D286-V290 WeakPolarHBondContact O-CG2 3.41Å; D286-V290 PolarHBondContact O-N 3.42Å; D286-V290 VanDerWaalsContact O-N 3.16Å | ||
| 287 | T | 82.2 | Confident | 88.9 | Confident | 58 Ų | 58 | 35.4 Ų | 35.4 | 36% | 0.356 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.5 | -37.6 | -175.3 | 57 | 0 | 0 | 0 | 0 | 112.2 | K285 V290 L291 I356 | K285-T287 PolarHBondContact O-N 3.18Å; T287-V290 PolarHBondContact O-N 3.05Å; T287-L291 WeakPolarHBondContact O-CD1 3.28Å; T287-L291 WeakPolarHBondContact O-CG 3.49Å; T287-L291 PolarHBondContact O-N 3.46Å; T287-I356 HydrophobicContact CG2-CD1 3.25Å |
| 288 | S | 82.6 | Confident | 88.9 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.8 | -43.1 | -178.2 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | D286 L291 K292 | D286-S288 WeakPolarHBondContact OD1-CA 3.5Å; D286-S288 WeakPolarHBondContact OD1-CB 3.38Å; D286-S288 PolarHBondContact OD1-N 3.38Å; S288-L291 PolarHBondContact O-N 3.47Å; S288-K292 WeakPolarHBondContact O-CG 3.33Å; S288-K292 PolarHBondContact O-N 2.91Å |
| 289 | L | 87.9 | Confident | 88.5 | Confident | 10 Ų | 10 | 32.4 Ų | 32.4 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -52 | 174.1 | 176.4 | 62.6 | 0 | 0 | 0 | 110.4 | L234 V239 L244 A284 D286 L291 K292 L293 | L234-L289 HydrophobicContact CD1-CD1 3.59Å; L234-L289 HydrophobicContact CG-CD1 4.43Å; V239-L289 HydrophobicContact CG1-CB 4.32Å; V239-L289 HydrophobicContact CG2-CB 4.13Å; V239-L289 HydrophobicContact CG2-CD2 3.88Å; L244-L289 HydrophobicContact CD2-CB 4.23Å; A284-L289 HydrophobicContact CB-CD2 4.1Å; D286-L289 HydrophobicContact CB-CB 4.15Å; D286-L289 PolarHBondContact OD1-N 3.03Å; L289-L291 VanDerWaalsContact C-N 3.28Å; L289-L291 PolarHBondContact O-N 3.44Å; L289-K292 PolarHBondContact O-N 3.27Å; L289-L293 HydrophobicContact CD1-CD1 4.09Å; L289-L293 HydrophobicContact CD1-CD2 4.23Å; L289-L293 HydrophobicContact CD1-CG 4.01Å; L289-L293 HydrophobicContact CD2-CD1 4.41Å; L289-L293 HydrophobicContact CG-CD1 3.87Å; L289-L293 HydrophobicContact CG-CG 4.21Å; L289-L293 WeakPolarHBondContact O-CG 3.41Å; L289-L293 PolarHBondContact O-N 3.04Å |
| 290 | V | 90 | Very high | 88.4 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.9 | -42.2 | -178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | A284 D286 T287 K292 L293 I294 L348 I356 | A284-V290 HydrophobicContact CB-CG2 4.25Å; D286-V290 VanDerWaalsContact O-CG2 3.27Å; D286-V290 WeakPolarHBondContact O-CG2 3.41Å; D286-V290 PolarHBondContact O-N 3.42Å; D286-V290 VanDerWaalsContact O-N 3.16Å; T287-V290 PolarHBondContact O-N 3.05Å; V290-K292 PolarHBondContact O-N 3.04Å; V290-L293 PolarHBondContact O-N 2.91Å; V290-I294 HydrophobicContact CG1-CD1 3.71Å; V290-I294 HydrophobicContact CG1-CG1 4.25Å; V290-I294 WeakPolarHBondContact O-CB 3.47Å; V290-I294 VanDerWaalsContact O-CG1 3.29Å; V290-I294 WeakPolarHBondContact O-CG1 3.37Å; V290-I294 PolarHBondContact O-N 3.14Å; V290-L348 HydrophobicContact CG1-CD1 3.69Å; V290-L348 HydrophobicContact CG1-CD2 4.43Å; V290-I356 HydrophobicContact CG1-CG2 4.04Å |
| 291 | L | 86.7 | Confident | 88.3 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 176 | -68 | 161.5 | 0 | 0 | 0 | 112.4 | T287 S288 L289 N295 L355 I356 A359 W673 | T287-L291 WeakPolarHBondContact O-CD1 3.28Å; T287-L291 WeakPolarHBondContact O-CG 3.49Å; T287-L291 PolarHBondContact O-N 3.46Å; S288-L291 PolarHBondContact O-N 3.47Å; L289-L291 VanDerWaalsContact C-N 3.28Å; L289-L291 PolarHBondContact O-N 3.44Å; L291-N295 WeakPolarHBondContact O-CB 3.43Å; L291-N295 PolarHBondContact O-N 2.81Å; L291-L355 HydrophobicContact CD1-CD2 3.57Å; L291-L355 HydrophobicContact CD1-CG 4.29Å; L291-L355 HydrophobicContact CD2-CD2 4.12Å; L291-L355 HydrophobicContact CD2-CG 3.92Å; L291-I356 HydrophobicContact CD1-CG1 4.23Å; L291-I356 HydrophobicContact CD2-CB 4.23Å; L291-I356 HydrophobicContact CD2-CG1 3.75Å; L291-I356 HydrophobicContact CG-CG1 3.93Å; L291-A359 HydrophobicContact CD2-CB 4.04Å; L291-W673 HydrophobicContact CB-CH2 4.25Å; L291-W673 HydrophobicContact CB-CZ2 4.26Å; L291-W673 HydrophobicContact CD2-CH2 3.33Å; L291-W673 HydrophobicContact CD2-CZ2 4.01Å; L291-W673 HydrophobicContact CD2-CZ3 4.01Å; L291-W673 HydrophobicContact CG-CH2 4.26Å |
| 292 | K | 88 | Confident | 87.9 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 177.8 | -64.1 | -70.2 | 177.4 | 174.3 | 0 | 111.4 | N121 L244 E248 S288 L289 V290 L296 | N121-K292 PolarHBondContact OD1-NZ 3.44Å; L244-K292 HydrophobicContact CD2-CG 4.22Å; E248-K292 HydrophobicContact CB-CD 4.23Å; E248-K292 IonicContact OE1-NZ 3.53Å; E248-K292 PolarHBondContact OE1-NZ 2.8Å; E248-K292 IonicContact OE2-NZ 3.01Å; E248-K292 PolarHBondContact OE2-NZ 3.31Å; S288-K292 WeakPolarHBondContact O-CG 3.33Å; S288-K292 PolarHBondContact O-N 2.91Å; L289-K292 PolarHBondContact O-N 3.27Å; V290-K292 PolarHBondContact O-N 3.04Å; K292-L296 WeakPolarHBondContact O-CB 3.48Å; K292-L296 PolarHBondContact O-N 3.25Å |
| 293 | L | 93 | Very high | 87.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 177.6 | -62.4 | 176.6 | 0 | 0 | 0 | 112 | L234 L235 V278 Q281 L282 L289 V290 L296 L297 | L234-L293 HydrophobicContact CD1-CD2 4.32Å; L234-L293 HydrophobicContact CD2-CD2 3.88Å; L234-L293 HydrophobicContact CG-CD2 4.15Å; L235-L293 HydrophobicContact CD2-CD2 4.2Å; V278-L293 HydrophobicContact CB-CD2 4.39Å; V278-L293 HydrophobicContact CG1-CB 4.25Å; V278-L293 HydrophobicContact CG1-CD2 3.97Å; V278-L293 HydrophobicContact CG2-CD2 4.12Å; Q281-L293 HydrophobicContact CB-CD1 3.53Å; L282-L293 HydrophobicContact CD2-CB 3.89Å; L289-L293 HydrophobicContact CD1-CD1 4.09Å; L289-L293 HydrophobicContact CD1-CD2 4.23Å; L289-L293 HydrophobicContact CD1-CG 4.01Å; L289-L293 HydrophobicContact CD2-CD1 4.41Å; L289-L293 HydrophobicContact CG-CD1 3.87Å; L289-L293 HydrophobicContact CG-CG 4.21Å; L289-L293 WeakPolarHBondContact O-CG 3.41Å; L289-L293 PolarHBondContact O-N 3.04Å; V290-L293 PolarHBondContact O-N 2.91Å; L293-L296 PolarHBondContact O-N 2.83Å; L293-L297 WeakPolarHBondContact O-CG 3.4Å; L293-L297 PolarHBondContact O-N 2.95Å |
| 294 | I | 92 | Very high | 86.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 175.4 | -72.4 | 174 | 0 | 0 | 0 | 110.3 | L282 V290 L296 L297 R298 L348 I356 A359 A360 L363 | L282-I294 HydrophobicContact CD2-CG1 3.77Å; V290-I294 HydrophobicContact CG1-CD1 3.71Å; V290-I294 HydrophobicContact CG1-CG1 4.25Å; V290-I294 WeakPolarHBondContact O-CB 3.47Å; V290-I294 VanDerWaalsContact O-CG1 3.29Å; V290-I294 WeakPolarHBondContact O-CG1 3.37Å; V290-I294 PolarHBondContact O-N 3.14Å; I294-L296 VanDerWaalsContact C-N 3.35Å; I294-L296 PolarHBondContact O-N 3.37Å; I294-L297 PolarHBondContact O-N 3.13Å; I294-R298 PolarHBondContact O-N 2.91Å; I294-L348 HydrophobicContact CD1-CD1 4.18Å; I294-I356 HydrophobicContact CD1-CG2 4.45Å; I294-A359 HydrophobicContact CD1-CB 4.39Å; I294-A359 HydrophobicContact CG2-CB 3.9Å; I294-A359 VanDerWaalsContact CG2-O 3.23Å; I294-A359 WeakPolarHBondContact CG2-O 3.29Å; I294-A360 HydrophobicContact CD1-CB 4.24Å; I294-L363 HydrophobicContact CB-CD2 4.46Å; I294-L363 HydrophobicContact CG1-CD2 4.28Å; I294-L363 HydrophobicContact CG2-CB 3.92Å; I294-L363 HydrophobicContact CG2-CD2 4.15Å |
| 295 | N | 88 | Confident | 86 | Confident | 31 Ų | 31 | 27.4 Ų | 27.4 | 17% | 0.166 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 178.2 | -176.9 | 49.8 | 0 | 0 | 0 | 111.9 | L291 L297 R298 I299 L677 | L291-N295 WeakPolarHBondContact O-CB 3.43Å; L291-N295 PolarHBondContact O-N 2.81Å; N295-L297 PolarHBondContact O-N 3.48Å; N295-R298 PolarHBondContact O-N 3.27Å; N295-R298 PolarHBondContact OD1-NH2 3.46Å; N295-I299 WeakPolarHBondContact ND2-CD1 3.46Å; N295-I299 WeakPolarHBondContact O-CD1 3.2Å; N295-I299 VanDerWaalsContact O-CG1 3.26Å; N295-I299 WeakPolarHBondContact O-CG1 3.27Å; N295-I299 PolarHBondContact O-N 3.45Å; N295-I299 WeakPolarHBondContact OD1-CD1 3.42Å; N295-L677 HydrophobicContact CB-CD2 4.07Å; N295-L677 WeakPolarHBondContact OD1-CD2 3.45Å |
| 296 | L | 91.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 177.2 | 178.8 | 61.6 | 0 | 0 | 0 | 111.5 | F231 L250 V278 K292 L293 I294 R298 I299 L300 | F231-L296 HydrophobicContact CE1-CD2 4.18Å; L250-L296 HydrophobicContact CB-CD1 3.96Å; L250-L296 HydrophobicContact CB-CD2 4.39Å; L250-L296 HydrophobicContact CD1-CD2 4.38Å; V278-L296 HydrophobicContact CG2-CD2 4.47Å; K292-L296 WeakPolarHBondContact O-CB 3.48Å; K292-L296 PolarHBondContact O-N 3.25Å; L293-L296 PolarHBondContact O-N 2.83Å; I294-L296 VanDerWaalsContact C-N 3.35Å; I294-L296 PolarHBondContact O-N 3.37Å; L296-R298 PolarHBondContact O-N 3.49Å; L296-I299 PolarHBondContact O-N 3.37Å; L296-L300 HydrophobicContact CD1-CD1 4.21Å; L296-L300 HydrophobicContact CD1-CG 4.27Å; L296-L300 HydrophobicContact CG-CD1 4.04Å; L296-L300 WeakPolarHBondContact O-CB 3.48Å; L296-L300 WeakPolarHBondContact O-CG 3.36Å; L296-L300 PolarHBondContact O-N 3Å |
| 297 | L | 93.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 178.2 | -72.4 | 171.7 | 0 | 0 | 0 | 112.1 | V278 V279 L282 L293 I294 N295 L300 L301 I313 F317 L363 | V278-L297 HydrophobicContact CG1-CD1 4.04Å; V278-L297 HydrophobicContact CG1-CD2 3.89Å; V278-L297 HydrophobicContact CG1-CG 3.79Å; V279-L297 HydrophobicContact CG2-CD1 4.23Å; V279-L297 HydrophobicContact CG2-CD2 4.21Å; L282-L297 HydrophobicContact CD1-CD1 3.96Å; L282-L297 HydrophobicContact CD2-CD1 4.39Å; L293-L297 WeakPolarHBondContact O-CG 3.4Å; L293-L297 PolarHBondContact O-N 2.95Å; I294-L297 PolarHBondContact O-N 3.13Å; N295-L297 PolarHBondContact O-N 3.48Å; L297-L300 PolarHBondContact O-N 3.3Å; L297-L301 WeakPolarHBondContact O-CG 2.98Å; L297-L301 PolarHBondContact O-N 2.73Å; L297-I313 HydrophobicContact CD2-CG2 4.26Å; L297-F317 HydrophobicContact CD1-CE2 4.21Å; L297-F317 HydrophobicContact CD1-CZ 4.04Å; L297-L363 HydrophobicContact CB-CD1 3.86Å; L297-L363 HydrophobicContact CB-CD2 4.18Å; L297-L363 HydrophobicContact CD1-CD2 4.06Å |
| 298 | R | 90.1 | Very high | 84.9 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -51.4 | 176.9 | -169.5 | -170.1 | 69.5 | -110.8 | -14 | 111.3 | I294 N295 L296 L300 L301 E302 D362 L363 E366 L677 | I294-R298 PolarHBondContact O-N 2.91Å; N295-R298 PolarHBondContact O-N 3.27Å; N295-R298 PolarHBondContact OD1-NH2 3.46Å; L296-R298 PolarHBondContact O-N 3.49Å; R298-L300 VanDerWaalsContact C-N 3.25Å; R298-L300 PolarHBondContact O-N 3.33Å; R298-L301 PolarHBondContact O-N 2.91Å; R298-L301 VanDerWaalsContact O-N 3.09Å; R298-E302 WeakPolarHBondContact CD-OE1 2.91Å; R298-E302 WeakPolarHBondContact CG-OE1 3.5Å; R298-E302 IonicContact NE-OE1 3.88Å; R298-E302 PolarHBondContact NE-OE1 2.9Å; R298-E302 WeakPolarHBondContact O-CG 3.5Å; R298-E302 PolarHBondContact O-N 3.29Å; R298-D362 VanDerWaalsContact CD-CG 3.5Å; R298-D362 WeakPolarHBondContact CD-OD2 3.39Å; R298-D362 IonicContact CZ-OD2 3.47Å; R298-D362 IonicContact NE-OD2 2.85Å; R298-D362 PolarHBondContact NE-OD2 3.26Å; R298-D362 IonicContact NH1-OD2 3.71Å; R298-D362 PolarHBondContact NH1-OD2 3.41Å; R298-L363 HydrophobicContact CB-CD1 4.4Å; R298-E366 HydrophobicContact CG-CB 4.1Å; R298-E366 HydrophobicContact CG-CG 4.07Å; R298-L677 PolarHBondContact NE-O 3.08Å; R298-L677 VanDerWaalsContact NH2-C 3.33Å; R298-L677 VanDerWaalsContact NH2-CA 3.32Å; R298-L677 PolarHBondContact NH2-O 2.86Å |
| 299 | I | 85.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.3 | -38.5 | 179.5 | -63.6 | 162.1 | 0 | 0 | 0 | 110.8 | S254 S255 N295 L296 E302 N303 | S254-I299 WeakPolarHBondContact OG-CG2 3.31Å; S255-I299 WeakPolarHBondContact OG-CD1 3.41Å; S255-I299 WeakPolarHBondContact OG-CG2 3.3Å; N295-I299 WeakPolarHBondContact ND2-CD1 3.46Å; N295-I299 WeakPolarHBondContact O-CD1 3.2Å; N295-I299 VanDerWaalsContact O-CG1 3.26Å; N295-I299 WeakPolarHBondContact O-CG1 3.27Å; N295-I299 PolarHBondContact O-N 3.45Å; N295-I299 WeakPolarHBondContact OD1-CD1 3.42Å; L296-I299 PolarHBondContact O-N 3.37Å; I299-E302 PolarHBondContact O-N 3.26Å; I299-N303 WeakPolarHBondContact CG2-ND2 3.46Å; I299-N303 VanDerWaalsContact O-CB 3.32Å; I299-N303 WeakPolarHBondContact O-CB 3.12Å; I299-N303 PolarHBondContact O-N 3.49Å |
| 300 | L | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.5 | -74.3 | 173.1 | 0 | 0 | 0 | 112.1 | F261 L265 I275 L296 L297 R298 C304 L309 I313 | F261-L300 HydrophobicContact CD1-CD2 4.47Å; F261-L300 HydrophobicContact CE1-CD2 3.8Å; L265-L300 HydrophobicContact CD2-CD2 3.72Å; I275-L300 HydrophobicContact CD1-CD1 3.58Å; L296-L300 HydrophobicContact CD1-CD1 4.21Å; L296-L300 HydrophobicContact CD1-CG 4.27Å; L296-L300 HydrophobicContact CG-CD1 4.04Å; L296-L300 WeakPolarHBondContact O-CB 3.48Å; L296-L300 WeakPolarHBondContact O-CG 3.36Å; L296-L300 PolarHBondContact O-N 3Å; L297-L300 PolarHBondContact O-N 3.3Å; R298-L300 VanDerWaalsContact C-N 3.25Å; R298-L300 PolarHBondContact O-N 3.33Å; L300-C304 WeakPolarHBondContact O-CB 3.34Å; L300-C304 PolarHBondContact O-N 3.28Å; L300-C304 PolarHBondContact O-SG 3.05Å; L300-C304 VanDerWaalsContact O-SG 3.33Å; L300-L309 HydrophobicContact CD2-CD2 4.01Å; L300-I313 HydrophobicContact CB-CD1 3.77Å; L300-I313 HydrophobicContact CD1-CD1 4.29Å |
| 301 | L | 87.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | 176.1 | -73.2 | 163.7 | 0 | 0 | 0 | 112.1 | L297 R298 D310 I313 R314 L363 E366 L367 | L297-L301 WeakPolarHBondContact O-CG 2.98Å; L297-L301 PolarHBondContact O-N 2.73Å; R298-L301 PolarHBondContact O-N 2.91Å; R298-L301 VanDerWaalsContact O-N 3.09Å; L301-D310 HydrophobicContact CD2-CB 4.33Å; L301-I313 HydrophobicContact CD1-CG2 4.19Å; L301-I313 HydrophobicContact CD2-CB 4.02Å; L301-I313 HydrophobicContact CD2-CD1 4.5Å; L301-I313 HydrophobicContact CD2-CG2 3.82Å; L301-I313 HydrophobicContact CG-CD1 4.45Å; L301-I313 HydrophobicContact CG-CG2 4.04Å; L301-R314 HydrophobicContact CD2-CG 4.26Å; L301-L363 HydrophobicContact CD1-CD1 3.67Å; L301-E366 HydrophobicContact CB-CG 3.53Å; L301-E366 HydrophobicContact CD1-CB 4.19Å; L301-E366 HydrophobicContact CD1-CG 4.03Å; L301-E366 HydrophobicContact CG-CG 4.43Å; L301-L367 HydrophobicContact CD1-CD2 3.73Å; L301-L367 HydrophobicContact CD1-CG 3.97Å; L301-L367 HydrophobicContact CD2-CD2 4.41Å |
| 302 | E | 81.7 | Confident | 85 | Confident | 43 Ų | 43 | 22.9 Ų | 22.9 | 20% | 0.201 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 177.5 | -73.1 | 175.4 | -159.8 | 0 | 0 | 112.5 | R298 I299 V305 E366 | R298-E302 WeakPolarHBondContact CD-OE1 2.91Å; R298-E302 WeakPolarHBondContact CG-OE1 3.5Å; R298-E302 IonicContact NE-OE1 3.88Å; R298-E302 PolarHBondContact NE-OE1 2.9Å; R298-E302 WeakPolarHBondContact O-CG 3.5Å; R298-E302 PolarHBondContact O-N 3.29Å; I299-E302 PolarHBondContact O-N 3.26Å; E302-V305 WeakPolarHBondContact O-CG2 3.15Å; E302-E366 HydrophobicContact CG-CG 4.22Å |
| 303 | N | 82.7 | Confident | 85.1 | Confident | 54 Ų | 54 | 22 Ų | 22 | 29% | 0.289 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -98 | -21.7 | -168 | -70.4 | -20.1 | 0 | 0 | 0 | 114.6 | S254 P258 I299 V305 | S254-N303 PolarHBondContact O-ND2 3.01Å; P258-N303 HydrophobicContact CB-CB 3.85Å; I299-N303 WeakPolarHBondContact CG2-ND2 3.46Å; I299-N303 VanDerWaalsContact O-CB 3.32Å; I299-N303 WeakPolarHBondContact O-CB 3.12Å; I299-N303 PolarHBondContact O-N 3.49Å; N303-V305 VanDerWaalsContact C-N 3.32Å; N303-V305 PolarHBondContact O-N 2.97Å |
| 304 | C | 76 | Confident | 85 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | trans | -95.5 | 19 | -174.7 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | T262 L300 N306 S307 L309 | T262-C304 HydrophobicContact CG2-CB 4.08Å; T262-C304 PolarHBondContact OG1-SG 3.3Å; L300-C304 WeakPolarHBondContact O-CB 3.34Å; L300-C304 PolarHBondContact O-N 3.28Å; L300-C304 PolarHBondContact O-SG 3.05Å; L300-C304 VanDerWaalsContact O-SG 3.33Å; C304-N306 PolarHBondContact O-N 3.21Å; C304-S307 WeakPolarHBondContact CB-OG 3.25Å; C304-S307 WeakPolarHBondContact O-CB 3.33Å; C304-S307 PolarHBondContact O-N 2.75Å; C304-S307 PolarHBondContact O-OG 2.99Å; C304-L309 HydrophobicContact CB-CB 4.18Å; C304-L309 HydrophobicContact CB-CD2 4.23Å | ||
| 305 | V | 68.5 | Low | 84.8 | Confident | 46 Ų | 46 | 26.1 Ų | 26.1 | 28% | 0.279 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 126.2 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | E302 N303 P371 | E302-V305 WeakPolarHBondContact O-CG2 3.15Å; N303-V305 VanDerWaalsContact C-N 3.32Å; N303-V305 PolarHBondContact O-N 2.97Å; V305-P371 HydrophobicContact CG1-CB 3.68Å; V305-P371 HydrophobicContact CG1-CG 4.08Å |
| 306 | N | 69.1 | Low | 84.8 | Confident | 121 Ų | 121 | 25 Ų | 25 | 65% | 0.647 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 0.8 | -174.9 | -42.6 | -66.3 | 0 | 0 | 0 | 117 | C304 G308 | C304-N306 PolarHBondContact O-N 3.21Å; N306-G308 VanDerWaalsContact C-N 3.34Å |
| 307 | S | 77.7 | Confident | 84.7 | Confident | 46 Ų | 46 | 25 Ų | 25 | 32% | 0.322 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -83.7 | -12.5 | 174 | 71 | 0 | 0 | 0 | 0 | 113.4 | C304 L309 | C304-S307 WeakPolarHBondContact CB-OG 3.25Å; C304-S307 WeakPolarHBondContact O-CB 3.33Å; C304-S307 PolarHBondContact O-N 2.75Å; C304-S307 PolarHBondContact O-OG 2.99Å; S307-L309 PolarHBondContact O-N 3.29Å; S307-L309 VanDerWaalsContact OG-CB 3.27Å; S307-L309 WeakPolarHBondContact OG-CB 3.49Å; S307-L309 PolarHBondContact OG-N 3.46Å |
| 308 | G | 82.5 | Confident | 84.4 | Confident | 40 Ų | 40 | 25.3 Ų | 25.3 | 41% | 0.412 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 79.1 | -7.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N306 D310 Y312 | N306-G308 VanDerWaalsContact C-N 3.34Å; G308-D310 PolarHBondContact N-OD1 3.47Å; G308-Y312 PolarHBondContact O-N 3.05Å; G308-Y312 VanDerWaalsContact O-N 3.08Å |
| 309 | L | 87.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.7 | -38 | 175 | -175.2 | 61.9 | 0 | 0 | 0 | 111.8 | L265 I275 L300 C304 S307 Y312 I313 | L265-L309 HydrophobicContact CD2-CD2 3.61Å; L265-L309 HydrophobicContact CG-CD2 4.39Å; I275-L309 HydrophobicContact CG1-CD1 4.24Å; L300-L309 HydrophobicContact CD2-CD2 4.01Å; C304-L309 HydrophobicContact CB-CB 4.18Å; C304-L309 HydrophobicContact CB-CD2 4.23Å; S307-L309 PolarHBondContact O-N 3.29Å; S307-L309 VanDerWaalsContact OG-CB 3.27Å; S307-L309 WeakPolarHBondContact OG-CB 3.49Å; S307-L309 PolarHBondContact OG-N 3.46Å; L309-Y312 HydrophobicContact CD1-CD1 4.36Å; L309-Y312 WeakPolarHBondContact O-CB 3.36Å; L309-Y312 PolarHBondContact O-N 2.78Å; L309-I313 HydrophobicContact CG-CD1 4.18Å; L309-I313 VanDerWaalsContact O-CG1 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.37Å |
| 310 | D | 86.9 | Confident | 82 | Confident | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.6 | 63.5 | -46.6 | 0 | 0 | 0 | 111.3 | L301 G308 I313 R314 | L301-D310 HydrophobicContact CD2-CB 4.33Å; G308-D310 PolarHBondContact N-OD1 3.47Å; D310-I313 PolarHBondContact O-N 2.93Å; D310-R314 WeakPolarHBondContact O-CG 3.37Å; D310-R314 PolarHBondContact O-N 2.83Å; D310-R314 IonicContact OD2-NH1 2.7Å; D310-R314 PolarHBondContact OD2-NH1 3.5Å; D310-R314 VanDerWaalsContact OD2-NH1 3.08Å |
| 311 | D | 85.6 | Confident | 80 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 170.5 | -90.8 | 0.7 | 0 | 0 | 0 | 111.9 | I313 R314 Q315 P377 S378 | D311-I313 PolarHBondContact O-N 3.46Å; D311-R314 PolarHBondContact O-N 3.24Å; D311-Q315 VanDerWaalsContact O-CG 3.31Å; D311-Q315 WeakPolarHBondContact O-CG 2.96Å; D311-Q315 PolarHBondContact O-N 2.93Å; D311-P377 WeakPolarHBondContact OD1-CA 2.82Å; D311-S378 VanDerWaalsContact CG-OG 3.3Å; D311-S378 WeakPolarHBondContact OD2-CB 3.4Å; D311-S378 PolarHBondContact OD2-N 3.15Å; D311-S378 PolarHBondContact OD2-OG 3.32Å |
| 312 | Y | 88.8 | Confident | 77.7 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 11% | 0.106 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.2 | 178.8 | -111.1 | 0 | 0 | 0 | 112.6 | K272 I275 G308 L309 Q315 L316 | K272-Y312 HydrophobicContact CB-CD1 4.5Å; K272-Y312 HydrophobicContact CB-CE1 3.71Å; K272-Y312 HydrophobicContact CD-CD1 4.48Å; K272-Y312 HydrophobicContact CD-CD2 4.21Å; K272-Y312 HydrophobicContact CD-CE1 4.28Å; K272-Y312 HydrophobicContact CD-CE2 4.01Å; K272-Y312 HydrophobicContact CD-CG 4.44Å; K272-Y312 HydrophobicContact CG-CD1 4.13Å; K272-Y312 HydrophobicContact CG-CE1 3.82Å; K272-Y312 HydrophobicContact CG-CE2 4.44Å; K272-Y312 PolarHBondContact O-OH 3.31Å; I275-Y312 HydrophobicContact CB-CE1 4.29Å; I275-Y312 HydrophobicContact CG2-CD1 4.36Å; I275-Y312 HydrophobicContact CG2-CE1 4.24Å; G308-Y312 PolarHBondContact O-N 3.05Å; G308-Y312 VanDerWaalsContact O-N 3.08Å; L309-Y312 HydrophobicContact CD1-CD1 4.36Å; L309-Y312 WeakPolarHBondContact O-CB 3.36Å; L309-Y312 PolarHBondContact O-N 2.78Å; Y312-Q315 WeakPolarHBondContact O-CB 3.39Å; Y312-Q315 PolarHBondContact O-N 3.13Å; Y312-L316 HydrophobicContact CD1-CD1 4.23Å; Y312-L316 HydrophobicContact CE1-CD1 3.72Å; Y312-L316 HydrophobicContact CE1-CG 4.31Å; Y312-L316 HydrophobicContact CE2-CD2 4.4Å; Y312-L316 HydrophobicContact CE2-CG 4.42Å; Y312-L316 WeakPolarHBondContact O-CG 3.37Å; Y312-L316 PolarHBondContact O-N 3.1Å; Y312-L316 VanDerWaalsContact O-N 3.12Å |
| 313 | I | 90.7 | Very high | 75.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 174.5 | -68.3 | 164.2 | 0 | 0 | 0 | 109.6 | I275 L297 L300 L301 L309 D310 D311 Q315 L316 F317 L367 | I275-I313 HydrophobicContact CG2-CG1 3.75Å; L297-I313 HydrophobicContact CD2-CG2 4.26Å; L300-I313 HydrophobicContact CB-CD1 3.77Å; L300-I313 HydrophobicContact CD1-CD1 4.29Å; L301-I313 HydrophobicContact CD1-CG2 4.19Å; L301-I313 HydrophobicContact CD2-CB 4.02Å; L301-I313 HydrophobicContact CD2-CD1 4.5Å; L301-I313 HydrophobicContact CD2-CG2 3.82Å; L301-I313 HydrophobicContact CG-CD1 4.45Å; L301-I313 HydrophobicContact CG-CG2 4.04Å; L309-I313 HydrophobicContact CG-CD1 4.18Å; L309-I313 VanDerWaalsContact O-CG1 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.37Å; D310-I313 PolarHBondContact O-N 2.93Å; D311-I313 PolarHBondContact O-N 3.46Å; I313-Q315 VanDerWaalsContact C-N 3.32Å; I313-Q315 PolarHBondContact O-N 2.94Å; I313-L316 WeakPolarHBondContact O-CB 3.39Å; I313-L316 PolarHBondContact O-N 3.3Å; I313-L316 VanDerWaalsContact O-N 3.12Å; I313-F317 HydrophobicContact CG2-CD2 4.19Å; I313-F317 HydrophobicContact CG2-CE2 4.13Å; I313-F317 WeakPolarHBondContact O-CD2 3.48Å; I313-F317 PolarHBondContact O-N 2.94Å; I313-L367 HydrophobicContact CG2-CD2 4.25Å |
| 314 | R | 89.1 | Confident | 73.5 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 176.1 | -72.1 | -178.5 | -174.5 | 94.9 | 2.6 | 112.2 | L301 D310 D311 L316 F317 F318 L367 R369 V379 | L301-R314 HydrophobicContact CD2-CG 4.26Å; D310-R314 WeakPolarHBondContact O-CG 3.37Å; D310-R314 PolarHBondContact O-N 2.83Å; D310-R314 IonicContact OD2-NH1 2.7Å; D310-R314 PolarHBondContact OD2-NH1 3.5Å; D310-R314 VanDerWaalsContact OD2-NH1 3.08Å; D311-R314 PolarHBondContact O-N 3.24Å; R314-L316 VanDerWaalsContact C-N 3.3Å; R314-L316 PolarHBondContact O-N 3.41Å; R314-F317 PolarHBondContact O-N 3.21Å; R314-F317 VanDerWaalsContact O-N 3.15Å; R314-F318 HydrophobicContact CB-CD2 3.87Å; R314-F318 HydrophobicContact CB-CE2 3.88Å; R314-F318 HydrophobicContact CG-CD2 4.46Å; R314-F318 HydrophobicContact CG-CE2 3.95Å; R314-F318 WeakPolarHBondContact O-CB 3.48Å; R314-F318 WeakPolarHBondContact O-CD2 3.28Å; R314-F318 WeakPolarHBondContact O-CG 2.99Å; R314-F318 PolarHBondContact O-N 3.36Å; R314-L367 HydrophobicContact CG-CD2 4.3Å; R314-L367 PolarHBondContact NE-O 2.63Å; R314-R369 PolarHBondContact NH2-O 3.34Å; R314-V379 HydrophobicContact CB-CB 4.42Å; R314-V379 HydrophobicContact CB-CG2 4.13Å |
| 315 | Q | 87.7 | Confident | 71.8 | Confident | 83 Ų | 83 | 52.1 Ų | 52.1 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.8 | -39.6 | 174.9 | -72.6 | 171.8 | 2.7 | 0 | 0 | 112.4 | D311 Y312 I313 F317 V319 V379 | D311-Q315 VanDerWaalsContact O-CG 3.31Å; D311-Q315 WeakPolarHBondContact O-CG 2.96Å; D311-Q315 PolarHBondContact O-N 2.93Å; Y312-Q315 WeakPolarHBondContact O-CB 3.39Å; Y312-Q315 PolarHBondContact O-N 3.13Å; I313-Q315 VanDerWaalsContact C-N 3.32Å; I313-Q315 PolarHBondContact O-N 2.94Å; Q315-F317 VanDerWaalsContact C-N 3.26Å; Q315-F317 PolarHBondContact O-N 3.03Å; Q315-V319 WeakPolarHBondContact O-CG2 3.46Å; Q315-V319 PolarHBondContact O-N 3.33Å; Q315-V379 HydrophobicContact CB-CG2 4.44Å; Q315-V379 HydrophobicContact CG-CG1 4.48Å; Q315-V379 HydrophobicContact CG-CG2 3.39Å |
| 316 | L | 88.7 | Confident | 70.5 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.6 | -25.7 | 178.2 | -68.8 | 173.3 | 0 | 0 | 0 | 113.5 | I275 Q276 V279 Y312 I313 R314 S341 | I275-L316 HydrophobicContact CG2-CD1 3.93Å; Q276-L316 HydrophobicContact CB-CD1 4.38Å; Q276-L316 HydrophobicContact CB-CD2 4.38Å; Q276-L316 HydrophobicContact CG-CD2 4.15Å; V279-L316 HydrophobicContact CG2-CB 4.39Å; V279-L316 HydrophobicContact CG2-CD1 4.03Å; Y312-L316 HydrophobicContact CD1-CD1 4.23Å; Y312-L316 HydrophobicContact CE1-CD1 3.72Å; Y312-L316 HydrophobicContact CE1-CG 4.31Å; Y312-L316 HydrophobicContact CE2-CD2 4.4Å; Y312-L316 HydrophobicContact CE2-CG 4.42Å; Y312-L316 WeakPolarHBondContact O-CG 3.37Å; Y312-L316 PolarHBondContact O-N 3.1Å; Y312-L316 VanDerWaalsContact O-N 3.12Å; I313-L316 WeakPolarHBondContact O-CB 3.39Å; I313-L316 PolarHBondContact O-N 3.3Å; I313-L316 VanDerWaalsContact O-N 3.12Å; R314-L316 VanDerWaalsContact C-N 3.3Å; R314-L316 PolarHBondContact O-N 3.41Å; L316-S341 PolarHBondContact O-OG 2.84Å |
| 317 | F | 89.9 | Confident | 69.2 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -91.8 | -43.2 | 177 | -79.4 | -83.4 | 0 | 0 | 0 | 112.6 | V279 L282 L297 I313 R314 Q315 V319 S341 L342 L345 L363 L367 | V279-F317 HydrophobicContact CG1-CE1 4.44Å; V279-F317 HydrophobicContact CG1-CE2 4.31Å; V279-F317 HydrophobicContact CG1-CZ 4.1Å; V279-F317 HydrophobicContact CG2-CE2 3.79Å; V279-F317 HydrophobicContact CG2-CZ 4.11Å; L282-F317 HydrophobicContact CD1-CE1 4.02Å; L282-F317 HydrophobicContact CD1-CZ 3.67Å; L297-F317 HydrophobicContact CD1-CE2 4.21Å; L297-F317 HydrophobicContact CD1-CZ 4.04Å; I313-F317 HydrophobicContact CG2-CD2 4.19Å; I313-F317 HydrophobicContact CG2-CE2 4.13Å; I313-F317 WeakPolarHBondContact O-CD2 3.48Å; I313-F317 PolarHBondContact O-N 2.94Å; R314-F317 PolarHBondContact O-N 3.21Å; R314-F317 VanDerWaalsContact O-N 3.15Å; Q315-F317 VanDerWaalsContact C-N 3.26Å; Q315-F317 PolarHBondContact O-N 3.03Å; F317-V319 VanDerWaalsContact C-N 3.3Å; F317-V319 PolarHBondContact O-N 3.38Å; F317-S341 VanDerWaalsContact CD1-CB 3.46Å; F317-L342 HydrophobicContact CB-CD2 4.01Å; F317-L342 HydrophobicContact CB-CG 4.29Å; F317-L342 HydrophobicContact CD1-CD2 4.04Å; F317-L342 HydrophobicContact CD1-CG 4.44Å; F317-L342 HydrophobicContact CG-CD2 4.45Å; F317-L342 WeakPolarHBondContact O-CD1 3.4Å; F317-L342 WeakPolarHBondContact O-CG 3.43Å; F317-L345 HydrophobicContact CD1-CD1 3.88Å; F317-L345 HydrophobicContact CE1-CD1 3.39Å; F317-L345 HydrophobicContact CE1-CG 3.83Å; F317-L345 HydrophobicContact CZ-CD1 4.11Å; F317-L363 HydrophobicContact CZ-CD2 4.38Å; F317-L367 HydrophobicContact CB-CD1 4.24Å; F317-L367 HydrophobicContact CB-CD2 4.26Å; F317-L367 HydrophobicContact CD1-CD1 3.91Å; F317-L367 HydrophobicContact CD2-CD1 3.99Å; F317-L367 HydrophobicContact CD2-CD2 3.66Å; F317-L367 HydrophobicContact CD2-CG 4.49Å; F317-L367 HydrophobicContact CE1-CD1 4.26Å; F317-L367 HydrophobicContact CE2-CD1 4.32Å; F317-L367 HydrophobicContact CE2-CD2 4.24Å; F317-L367 HydrophobicContact CG-CD1 3.77Å; F317-L367 HydrophobicContact CG-CD2 4.05Å; F317-L367 HydrophobicContact CZ-CD1 4.44Å |
| 318 | F | 86.6 | Confident | 67.5 | Low | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | trans | -89.6 | 21.1 | -172.7 | -56.6 | -35.1 | 0 | 0 | 0 | 114.2 | R314 S320 L342 L367 V368 V379 I381 P382 L386 | R314-F318 HydrophobicContact CB-CD2 3.87Å; R314-F318 HydrophobicContact CB-CE2 3.88Å; R314-F318 HydrophobicContact CG-CD2 4.46Å; R314-F318 HydrophobicContact CG-CE2 3.95Å; R314-F318 WeakPolarHBondContact O-CB 3.48Å; R314-F318 WeakPolarHBondContact O-CD2 3.28Å; R314-F318 WeakPolarHBondContact O-CG 2.99Å; R314-F318 PolarHBondContact O-N 3.36Å; F318-S320 PolarHBondContact O-N 3.11Å; F318-S320 PolarHBondContact O-OG 2.83Å; F318-L342 HydrophobicContact CD1-CD1 3.97Å; F318-L342 HydrophobicContact CD1-CD2 4.26Å; F318-L342 HydrophobicContact CE1-CD1 4.43Å; F318-L342 HydrophobicContact CE1-CD2 4.07Å; F318-L367 HydrophobicContact CZ-CB 3.98Å; F318-V368 HydrophobicContact CZ-CG1 4.46Å; F318-V379 HydrophobicContact CB-CG1 3.83Å; F318-V379 HydrophobicContact CD2-CB 4.44Å; F318-V379 HydrophobicContact CD2-CG1 3.78Å; F318-V379 HydrophobicContact CG-CG1 4.32Å; F318-I381 HydrophobicContact CE2-CG1 4.02Å; F318-I381 HydrophobicContact CZ-CG1 4.47Å; F318-I381 HydrophobicContact CZ-CG2 4.37Å; F318-P382 HydrophobicContact CB-CG 4.42Å; F318-P382 HydrophobicContact CD1-CG 3.76Å; F318-P382 HydrophobicContact CE1-CG 4.39Å; F318-P382 HydrophobicContact CG-CG 4.32Å; F318-L386 HydrophobicContact CE1-CD1 4.28Å | ||
| 319 | V | 70.7 | Confident | 65.5 | Low | 41 Ų | 41 | 64.9 Ų | 64.9 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | trans | -51.6 | 107.1 | -179.6 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | Q315 F317 L331 P338 N339 | Q315-V319 WeakPolarHBondContact O-CG2 3.46Å; Q315-V319 PolarHBondContact O-N 3.33Å; F317-V319 VanDerWaalsContact C-N 3.3Å; F317-V319 PolarHBondContact O-N 3.38Å; V319-L331 HydrophobicContact CG2-CD1 4.39Å; V319-P338 VanDerWaalsContact O-CA 3.32Å; V319-P338 WeakPolarHBondContact O-CA 3.48Å; V319-P338 WeakPolarHBondContact O-CB 3.48Å; V319-N339 PolarHBondContact O-N 3.33Å; V319-N339 PolarHBondContact O-OD1 2.86Å | ||
| 320 | S | 55.1 | Low | 63.6 | Low | 65 Ų | 65 | 71.4 Ų | 71.4 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | trans | -96.6 | 150.3 | -177 | -78.2 | 0 | 0 | 0 | 0 | 111.5 | F318 G322 | F318-S320 PolarHBondContact O-N 3.11Å; F318-S320 PolarHBondContact O-OG 2.83Å; S320-G322 PolarHBondContact O-N 3.19Å | ||
| 321 | N | 46.3 | Very low | 61.8 | Low | 136 Ų | 136 | 73.3 Ų | 73.3 | 73% | 0.727 | 38% | 0.382 | S | S | * | . | trans | -63.7 | 12.6 | 177.1 | -105.3 | -25.7 | 0 | 0 | 0 | 115 | P338 | N321-P338 HydrophobicContact CB-CG 4.34Å; N321-P338 WeakPolarHBondContact OD1-CG 3.36Å | ||
| 322 | G | 39.7 | Very low | 59.8 | Low | 40 Ų | 40 | 79 Ų | 79 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | trans | -73.8 | 139.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S320 N324 | S320-G322 PolarHBondContact O-N 3.19Å; G322-N324 PolarHBondContact O-N 3.09Å | ||
| 323 | N | 36.9 | Very low | 57.7 | Low | 140 Ų | 140 | 82.7 Ų | 82.7 | 75% | 0.749 | 43% | 0.434 | S | S | * | . | trans | -66.6 | 29.3 | -173 | -77.9 | -33.5 | 0 | 0 | 0 | 116.7 | H325 | N323-H325 PolarHBondContact O-N 3.09Š| ||
| 324 | N | 39.4 | Very low | 55.7 | Low | 98 Ų | 98 | 91.4 Ų | 91.4 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | trans | -78 | 96.3 | 174.2 | -73.4 | -18.7 | 0 | 0 | 0 | 109.6 | G322 N326 E327 K328 | G322-N324 PolarHBondContact O-N 3.09Å; N324-N326 PolarHBondContact O-N 3.47Å; N324-E327 HydrophobicContact CB-CB 4.38Å; N324-E327 HydrophobicContact CB-CG 4.31Å; N324-E327 PolarHBondContact O-N 3.29Å; N324-K328 PolarHBondContact O-N 3.45Å | ||
| 325 | H | 40.2 | Very low | 53.8 | Low | 149 Ų | 149 | 96.8 Ų | 96.8 | 69% | 0.69 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -19.2 | 172.8 | -81.1 | -66.7 | 0 | 0 | 0 | 113.8 | N323 | N323-H325 PolarHBondContact O-N 3.09Š|
| 326 | N | 41.5 | Very low | 52.2 | Low | 128 Ų | 128 | 95.4 Ų | 95.4 | 68% | 0.684 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -25.8 | 178.5 | -61.6 | -13.4 | 0 | 0 | 0 | 113.6 | N324 | N324-N326 PolarHBondContact O-N 3.47Š|
| 327 | E | 42.2 | Very low | 50.8 | Low | 103 Ų | 103 | 101.7 Ų | 101.7 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -33 | 177.6 | -74.9 | 174.2 | 158.4 | 0 | 0 | 111.6 | N324 Q329 L330 | N324-E327 HydrophobicContact CB-CB 4.38Å; N324-E327 HydrophobicContact CB-CG 4.31Å; N324-E327 PolarHBondContact O-N 3.29Å; E327-Q329 PolarHBondContact O-N 2.8Å; E327-L330 PolarHBondContact O-N 2.82Å; E327-L330 VanDerWaalsContact O-N 3.14Å |
| 328 | K | 40.3 | Very low | 49.4 | Very low | 140 Ų | 140 | 103.9 Ų | 103.9 | 61% | 0.609 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24 | 172.4 | -81 | -176.1 | 175.1 | 177.4 | 0 | 113.7 | N324 | N324-K328 PolarHBondContact O-N 3.45Š|
| 329 | Q | 41.9 | Very low | 48.8 | Very low | 150 Ų | 150 | 104.9 Ų | 104.9 | 70% | 0.701 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.8 | 176.3 | -77 | -176.3 | -9.2 | 0 | 0 | 113.9 | E327 | E327-Q329 PolarHBondContact O-N 2.8Š|
| 330 | L | 46.4 | Very low | 49.4 | Very low | 140 Ų | 140 | 105 Ų | 105 | 73% | 0.733 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -16.1 | -179.4 | -92.2 | 145.9 | 0 | 0 | 0 | 113.3 | E327 | E327-L330 PolarHBondContact O-N 2.82Å; E327-L330 VanDerWaalsContact O-N 3.14Å |
| 331 | L | 50.4 | Low | 51 | Low | 49 Ų | 49 | 102.3 Ų | 102.3 | 26% | 0.257 | 53% | 0.53 | S | S | . | . | trans | -127.9 | 65.3 | -177.9 | -69.1 | 164.3 | 0 | 0 | 0 | 109 | V319 N333 | V319-L331 HydrophobicContact CG2-CD1 4.39Å; L331-N333 PolarHBondContact O-N 2.77Å | ||
| 332 | D | 43 | Very low | 53.1 | Low | 151 Ų | 151 | 95.9 Ų | 95.9 | 81% | 0.807 | 50% | 0.496 | S | S | * | . | trans | -72.1 | 29.6 | -176.5 | -136 | 11.9 | 0 | 0 | 0 | 113.7 | ||||
| 333 | N | 45.8 | Very low | 55.5 | Low | 105 Ų | 105 | 97.7 Ų | 97.7 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | trans | -120.9 | 120.6 | 177.6 | -79.4 | -26.8 | 0 | 0 | 0 | 109.4 | L331 L335 | L331-N333 PolarHBondContact O-N 2.77Å; N333-L335 PolarHBondContact O-N 2.99Å | ||
| 334 | D | 47.2 | Very low | 58.1 | Low | 184 Ų | 184 | 92.8 Ų | 92.8 | 98% | 0.984 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 12.2 | 173 | -74.7 | -37.1 | 0 | 0 | 0 | 115.3 | ||
| 335 | L | 50.2 | Low | 60.7 | Low | 117 Ų | 117 | 88.1 Ų | 88.1 | 61% | 0.613 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -6.3 | -169.4 | -76.9 | 161.5 | 0 | 0 | 0 | 114.7 | N333 | N333-L335 PolarHBondContact O-N 2.99Š|
| 336 | Y | 54.3 | Low | 63.1 | Low | 54 Ų | 54 | 81.7 Ų | 81.7 | 21% | 0.212 | 42% | 0.416 | C | S | . | . | trans | -113.1 | 105.2 | -179.1 | -90.4 | -90.1 | 0 | 0 | 0 | 110.6 | T280 | T280-Y336 PolarHBondContact OG1-OH 2.9Š| ||
| 337 | Q | 59.5 | Low | 65.5 | Low | 139 Ų | 139 | 79.8 Ų | 79.8 | 65% | 0.65 | 41% | 0.409 | S | S | * | . | trans | -79.1 | 152.3 | 162.7 | -47.2 | -169.8 | -16.7 | 0 | 0 | 109.5 | N339 D340 | Q337-N339 PolarHBondContact O-N 3.4Å; Q337-D340 WeakPolarHBondContact CA-OD2 3.25Å; Q337-D340 WeakPolarHBondContact CB-OD1 3.31Å; Q337-D340 WeakPolarHBondContact CB-OD2 3.38Å; Q337-D340 WeakPolarHBondContact CG-OD2 3.36Å; Q337-D340 PolarHBondContact N-OD2 3.07Å; Q337-D340 WeakPolarHBondContact O-CB 3.32Å; Q337-D340 PolarHBondContact O-N 2.99Å | ||
| 338 | P | 60.3 | Low | 67.9 | Low | 46 Ų | 46 | 76.5 Ų | 76.5 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 134.6 | 174.9 | -18.2 | 24.3 | 0 | 0 | 0 | 111 | V319 N321 D340 | V319-P338 VanDerWaalsContact O-CA 3.32Å; V319-P338 WeakPolarHBondContact O-CA 3.48Å; V319-P338 WeakPolarHBondContact O-CB 3.48Å; N321-P338 HydrophobicContact CB-CG 4.34Å; N321-P338 WeakPolarHBondContact OD1-CG 3.36Å; P338-D340 PolarHBondContact O-N 2.93Å |
| 339 | N | 72.4 | Confident | 70.2 | Confident | 27 Ų | 27 | 69.8 Ų | 69.8 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 13.3 | 179.4 | -55.6 | -34.9 | 0 | 0 | 0 | 116.4 | V319 Q337 S341 L342 L343 F385 | V319-N339 PolarHBondContact O-N 3.33Å; V319-N339 PolarHBondContact O-OD1 2.86Å; Q337-N339 PolarHBondContact O-N 3.4Å; N339-S341 VanDerWaalsContact C-N 3.3Å; N339-S341 PolarHBondContact O-N 2.84Å; N339-L342 HydrophobicContact CB-CB 4.41Å; N339-L342 HydrophobicContact CB-CD1 4.1Å; N339-L342 WeakPolarHBondContact O-CB 3.43Å; N339-L342 PolarHBondContact O-N 3.49Å; N339-L342 VanDerWaalsContact O-N 3.08Å; N339-L343 PolarHBondContact O-N 3.22Å; N339-F385 HydrophobicContact CB-CE1 4.05Å; N339-F385 HydrophobicContact CB-CE2 4.46Å; N339-F385 HydrophobicContact CB-CZ 3.93Å |
| 340 | D | 83.5 | Confident | 72.2 | Confident | 45 Ų | 45 | 63 Ų | 63 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.6 | -41.6 | 178 | -86.9 | -13 | 0 | 0 | 0 | 113.1 | Q337 P338 L342 L343 T344 | Q337-D340 WeakPolarHBondContact CA-OD2 3.25Å; Q337-D340 WeakPolarHBondContact CB-OD1 3.31Å; Q337-D340 WeakPolarHBondContact CB-OD2 3.38Å; Q337-D340 WeakPolarHBondContact CG-OD2 3.36Å; Q337-D340 PolarHBondContact N-OD2 3.07Å; Q337-D340 WeakPolarHBondContact O-CB 3.32Å; Q337-D340 PolarHBondContact O-N 2.99Å; P338-D340 PolarHBondContact O-N 2.93Å; D340-L342 VanDerWaalsContact C-N 3.33Å; D340-L342 PolarHBondContact O-N 3.01Å; D340-L343 PolarHBondContact O-N 2.88Å; D340-T344 PolarHBondContact O-N 3.37Å; D340-T344 PolarHBondContact O-OG1 3.16Å |
| 341 | S | 88.7 | Confident | 74 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.7 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | V279 L316 F317 N339 T344 L345 | V279-S341 WeakPolarHBondContact CG1-OG 3.48Å; L316-S341 PolarHBondContact O-OG 2.84Å; F317-S341 VanDerWaalsContact CD1-CB 3.46Å; N339-S341 VanDerWaalsContact C-N 3.3Å; N339-S341 PolarHBondContact O-N 2.84Å; S341-T344 WeakPolarHBondContact O-CB 3.43Å; S341-T344 PolarHBondContact O-N 3.13Å; S341-L345 PolarHBondContact O-N 2.99Å; S341-L345 VanDerWaalsContact O-N 3.1Å |
| 342 | L | 90.6 | Very high | 75.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 175.5 | -68.4 | 172 | 0 | 0 | 0 | 111.4 | F317 F318 N339 D340 T344 L345 F346 L364 L367 P382 F385 L386 | F317-L342 HydrophobicContact CB-CD2 4.01Å; F317-L342 HydrophobicContact CB-CG 4.29Å; F317-L342 HydrophobicContact CD1-CD2 4.04Å; F317-L342 HydrophobicContact CD1-CG 4.44Å; F317-L342 HydrophobicContact CG-CD2 4.45Å; F317-L342 WeakPolarHBondContact O-CD1 3.4Å; F317-L342 WeakPolarHBondContact O-CG 3.43Å; F318-L342 HydrophobicContact CD1-CD1 3.97Å; F318-L342 HydrophobicContact CD1-CD2 4.26Å; F318-L342 HydrophobicContact CE1-CD1 4.43Å; F318-L342 HydrophobicContact CE1-CD2 4.07Å; N339-L342 HydrophobicContact CB-CB 4.41Å; N339-L342 HydrophobicContact CB-CD1 4.1Å; N339-L342 WeakPolarHBondContact O-CB 3.43Å; N339-L342 PolarHBondContact O-N 3.49Å; N339-L342 VanDerWaalsContact O-N 3.08Å; D340-L342 VanDerWaalsContact C-N 3.33Å; D340-L342 PolarHBondContact O-N 3.01Å; L342-T344 PolarHBondContact O-N 3.44Å; L342-L345 WeakPolarHBondContact O-CB 3.4Å; L342-L345 PolarHBondContact O-N 3.48Å; L342-L345 VanDerWaalsContact O-N 3.08Å; L342-F346 VanDerWaalsContact O-CD2 3.26Å; L342-F346 WeakPolarHBondContact O-CD2 3.41Å; L342-F346 PolarHBondContact O-N 3.12Å; L342-L364 HydrophobicContact CD2-CD2 4.15Å; L342-L367 HydrophobicContact CD2-CD1 4.47Å; L342-P382 HydrophobicContact CD1-CG 4.11Å; L342-F385 HydrophobicContact CB-CE1 4.01Å; L342-F385 HydrophobicContact CD1-CD1 4.15Å; L342-F385 HydrophobicContact CD1-CE1 3.99Å; L342-L386 HydrophobicContact CD1-CD2 4.38Å; L342-L386 HydrophobicContact CD2-CD2 4.18Å |
| 343 | L | 90.1 | Very high | 77 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 177.8 | -171 | 63.3 | 0 | 0 | 0 | 111.1 | N339 D340 F346 T347 | N339-L343 PolarHBondContact O-N 3.22Å; D340-L343 PolarHBondContact O-N 2.88Å; L343-F346 PolarHBondContact O-N 3Å; L343-T347 WeakPolarHBondContact O-CB 3.36Å; L343-T347 PolarHBondContact O-N 2.63Å; L343-T347 PolarHBondContact O-OG1 3.5Å |
| 344 | T | 91.8 | Very high | 78.5 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 170.9 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | L282 R283 D340 S341 L342 F346 T347 L348 | L282-T344 HydrophobicContact CB-CG2 4.1Å; R283-T344 HydrophobicContact CB-CG2 4.34Å; D340-T344 PolarHBondContact O-N 3.37Å; D340-T344 PolarHBondContact O-OG1 3.16Å; S341-T344 WeakPolarHBondContact O-CB 3.43Å; S341-T344 PolarHBondContact O-N 3.13Å; L342-T344 PolarHBondContact O-N 3.44Å; T344-F346 PolarHBondContact O-N 3.33Å; T344-T347 WeakPolarHBondContact O-CB 3.45Å; T344-T347 PolarHBondContact O-N 3.39Å; T344-T347 VanDerWaalsContact O-N 3.14Å; T344-L348 WeakPolarHBondContact O-CG 3.5Å; T344-L348 PolarHBondContact O-N 2.83Å |
| 345 | L | 93.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 176 | -68.6 | -177.2 | 0 | 0 | 0 | 113 | L282 F317 S341 L342 T347 L348 A349 A360 L363 L364 L367 | L282-L345 HydrophobicContact CD1-CD2 4.08Å; F317-L345 HydrophobicContact CD1-CD1 3.88Å; F317-L345 HydrophobicContact CE1-CD1 3.39Å; F317-L345 HydrophobicContact CE1-CG 3.83Å; F317-L345 HydrophobicContact CZ-CD1 4.11Å; S341-L345 PolarHBondContact O-N 2.99Å; S341-L345 VanDerWaalsContact O-N 3.1Å; L342-L345 WeakPolarHBondContact O-CB 3.4Å; L342-L345 PolarHBondContact O-N 3.48Å; L342-L345 VanDerWaalsContact O-N 3.08Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 2.92Å; L345-L348 HydrophobicContact CD2-CD1 4.44Å; L345-L348 WeakPolarHBondContact O-CB 3.49Å; L345-L348 PolarHBondContact O-N 2.71Å; L345-A349 WeakPolarHBondContact O-CB 3.43Å; L345-A349 PolarHBondContact O-N 3.4Å; L345-A360 HydrophobicContact CD2-CB 4.33Å; L345-L363 HydrophobicContact CD1-CD2 4.01Å; L345-L363 HydrophobicContact CD1-CG 4.21Å; L345-L363 HydrophobicContact CD2-CD2 3.91Å; L345-L364 HydrophobicContact CB-CD1 4.33Å; L345-L364 HydrophobicContact CB-CD2 4.06Å; L345-L364 HydrophobicContact CB-CG 4.15Å; L345-L364 HydrophobicContact CD1-CD2 3.85Å; L345-L364 HydrophobicContact CD1-CG 4.09Å; L345-L367 HydrophobicContact CD1-CD1 3.79Å |
| 346 | F | 92.2 | Very high | 81.4 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.9 | -31.8 | 175.5 | -79.3 | -67.4 | 0 | 0 | 0 | 112.9 | L342 L343 T344 G350 L364 F385 L386 K389 T390 A393 | L342-F346 VanDerWaalsContact O-CD2 3.26Å; L342-F346 WeakPolarHBondContact O-CD2 3.41Å; L342-F346 PolarHBondContact O-N 3.12Å; L343-F346 PolarHBondContact O-N 3Å; T344-F346 PolarHBondContact O-N 3.33Å; F346-G350 PolarHBondContact O-N 3.28Å; F346-L364 HydrophobicContact CD1-CD1 4.17Å; F346-L364 HydrophobicContact CE1-CD1 3.94Å; F346-L364 HydrophobicContact CE2-CD2 4.27Å; F346-L364 HydrophobicContact CZ-CD1 4.18Å; F346-L364 HydrophobicContact CZ-CD2 4.31Å; F346-F385 HydrophobicContact CE2-CE1 4.38Å; F346-L386 HydrophobicContact CE2-CD2 3.96Å; F346-L386 HydrophobicContact CZ-CD2 4.05Å; F346-K389 HydrophobicContact CD1-CB 3.9Å; F346-K389 HydrophobicContact CD2-CB 3.64Å; F346-K389 HydrophobicContact CD2-CG 4.17Å; F346-K389 HydrophobicContact CE1-CB 3.76Å; F346-K389 HydrophobicContact CE2-CB 3.48Å; F346-K389 VanDerWaalsContact CE2-CB 3.48Å; F346-K389 HydrophobicContact CE2-CG 4.2Å; F346-K389 HydrophobicContact CG-CB 3.86Å; F346-K389 HydrophobicContact CZ-CB 3.55Å; F346-T390 WeakPolarHBondContact CE1-OG1 3.42Å; F346-A393 HydrophobicContact CD1-CB 4.42Å |
| 347 | T | 91.8 | Very high | 83 | Confident | 88 Ų | 88 | 35.6 Ų | 35.6 | 54% | 0.54 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 173.5 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | L343 T344 L345 G350 G351 | L343-T347 WeakPolarHBondContact O-CB 3.36Å; L343-T347 PolarHBondContact O-N 2.63Å; L343-T347 PolarHBondContact O-OG1 3.5Å; T344-T347 WeakPolarHBondContact O-CB 3.45Å; T344-T347 PolarHBondContact O-N 3.39Å; T344-T347 VanDerWaalsContact O-N 3.14Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 2.92Å; T347-G350 CarbonylContact O-C 3.5Å; T347-G351 PolarHBondContact O-N 2.76Å; T347-G351 VanDerWaalsContact O-N 3.13Å |
| 348 | L | 91.3 | Very high | 84.2 | Confident | 34 Ų | 34 | 29 Ų | 29 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -49.4 | 174.4 | -65.8 | 176.9 | 0 | 0 | 0 | 111.4 | V290 I294 T344 L345 G350 G351 I356 G357 A360 | V290-L348 HydrophobicContact CG1-CD1 3.69Å; V290-L348 HydrophobicContact CG1-CD2 4.43Å; I294-L348 HydrophobicContact CD1-CD1 4.18Å; T344-L348 WeakPolarHBondContact O-CG 3.5Å; T344-L348 PolarHBondContact O-N 2.83Å; L345-L348 HydrophobicContact CD2-CD1 4.44Å; L345-L348 WeakPolarHBondContact O-CB 3.49Å; L345-L348 PolarHBondContact O-N 2.71Å; L348-G350 VanDerWaalsContact C-N 3.26Å; L348-G350 PolarHBondContact O-N 3.1Å; L348-G351 PolarHBondContact O-N 2.64Å; L348-I356 HydrophobicContact CB-CG2 4.1Å; L348-I356 HydrophobicContact CD1-CG2 4.33Å; L348-I356 HydrophobicContact CD2-CG2 3.94Å; L348-I356 HydrophobicContact CG-CG2 4.34Å; L348-G357 VanDerWaalsContact O-CA 3.28Å; L348-G357 WeakPolarHBondContact O-CA 3.45Å; L348-A360 HydrophobicContact CB-CB 3.86Å |
| 349 | A | 89.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L345 G351 A360 L361 I397 R423 | L345-A349 WeakPolarHBondContact O-CB 3.43Å; L345-A349 PolarHBondContact O-N 3.4Å; A349-G351 VanDerWaalsContact C-N 3.34Å; A349-A360 HydrophobicContact CB-CB 4.36Å; A349-L361 HydrophobicContact CB-CD2 3.88Å; A349-L361 HydrophobicContact CB-CG 3.92Å; A349-I397 WeakPolarHBondContact O-CD1 3.49Å; A349-R423 VanDerWaalsContact O-CZ 3.22Å; A349-R423 PolarHBondContact O-NE 3.39Å; A349-R423 PolarHBondContact O-NH2 3.16Å |
| 350 | G | 84.5 | Confident | 86.2 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F346 T347 L348 K396 | F346-G350 PolarHBondContact O-N 3.28Å; T347-G350 CarbonylContact O-C 3.5Å; L348-G350 VanDerWaalsContact C-N 3.26Å; L348-G350 PolarHBondContact O-N 3.1Å; G350-K396 WeakPolarHBondContact O-CE 3.28Å; G350-K396 PolarHBondContact O-NZ 3.29Å |
| 351 | G | 84 | Confident | 86.5 | Confident | 28 Ų | 28 | 23.6 Ų | 23.6 | 29% | 0.289 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -79.3 | -177 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T347 L348 A349 R423 | T347-G351 PolarHBondContact O-N 2.76Å; T347-G351 VanDerWaalsContact O-N 3.13Å; L348-G351 PolarHBondContact O-N 2.64Å; A349-G351 VanDerWaalsContact C-N 3.34Å; G351-R423 VanDerWaalsContact O-CZ 3.3Å; G351-R423 PolarHBondContact O-NH1 3.31Å; G351-R423 PolarHBondContact O-NH2 3.15Å |
| 352 | S | 77.6 | Confident | 86.3 | Confident | 117 Ų | 117 | 24.1 Ų | 24.1 | 82% | 0.818 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -86.8 | -14.1 | 176.7 | 56.8 | 0 | 0 | 0 | 0 | 114 | ||
| 353 | D | 78.5 | Confident | 86.2 | Confident | 52 Ų | 52 | 24.1 Ų | 24.1 | 28% | 0.278 | 15% | 0.15 | S | C | . | . | trans | -93.2 | 109.1 | 179.6 | -169.7 | -39.2 | 0 | 0 | 0 | 109.7 | L355 I356 G357 | D353-L355 PolarHBondContact O-N 3.49Å; D353-L355 WeakPolarHBondContact OD1-CA 3.46Å; D353-L355 WeakPolarHBondContact OD1-CB 3.44Å; D353-L355 PolarHBondContact OD1-N 3.37Å; D353-I356 HydrophobicContact CB-CB 4.31Å; D353-I356 HydrophobicContact CB-CD1 3.88Å; D353-I356 HydrophobicContact CB-CG1 4.18Å; D353-I356 PolarHBondContact OD1-N 3.47Å; D353-G357 PolarHBondContact O-N 3.36Å | ||
| 354 | D | 76.8 | Confident | 86.3 | Confident | 16 Ų | 16 | 20.5 Ų | 20.5 | 9% | 0.086 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.3 | -29 | -178.4 | -70 | -30.6 | 0 | 0 | 0 | 113.4 | S358 H420 R423 L670 | D354-S358 WeakPolarHBondContact O-CB 2.99Å; D354-S358 PolarHBondContact O-N 3.44Å; D354-S358 PolarHBondContact O-OG 3.24Å; D354-H420 VanDerWaalsContact CG-ND1 3.3Å; D354-H420 IonicContact OD1-CE1 2.58Å; D354-H420 PolarHBondContact OD1-CE1 2.82Å; D354-H420 IonicContact OD1-CG 2.89Å; D354-H420 IonicContact OD1-ND1 3.69Å; D354-H420 PolarHBondContact OD1-ND1 2.85Å; D354-H420 IonicContact OD2-CE1 2.73Å; D354-H420 PolarHBondContact OD2-CE1 3.4Å; D354-H420 IonicContact OD2-CG 3.99Å; D354-H420 PolarHBondContact OD2-N 3.09Å; D354-H420 IonicContact OD2-ND1 3.71Å; D354-H420 PolarHBondContact OD2-ND1 3Å; D354-R423 IonicContact OD1-CZ 2.75Å; D354-R423 IonicContact OD1-NH1 3.41Å; D354-R423 PolarHBondContact OD1-NH1 3.12Å; D354-L670 HydrophobicContact CB-CD1 3.88Å; D354-L670 HydrophobicContact CB-CD2 4.33Å |
| 355 | L | 75.7 | Confident | 86 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.7 | -53.4 | -178.8 | -171.8 | 72.7 | 0 | 0 | 0 | 110.1 | I79 L291 D353 G357 A359 F669 L670 W673 F674 | I79-L355 HydrophobicContact CD1-CD2 4.13Å; I79-L355 HydrophobicContact CG2-CD2 3.74Å; L291-L355 HydrophobicContact CD1-CD2 3.57Å; L291-L355 HydrophobicContact CD1-CG 4.29Å; L291-L355 HydrophobicContact CD2-CD2 4.12Å; L291-L355 HydrophobicContact CD2-CG 3.92Å; D353-L355 PolarHBondContact O-N 3.49Å; D353-L355 WeakPolarHBondContact OD1-CA 3.46Å; D353-L355 WeakPolarHBondContact OD1-CB 3.44Å; D353-L355 PolarHBondContact OD1-N 3.37Å; L355-G357 VanDerWaalsContact C-N 3.34Å; L355-A359 WeakPolarHBondContact O-CB 3.45Å; L355-A359 PolarHBondContact O-N 3.02Å; L355-F669 HydrophobicContact CB-CE1 4.41Å; L355-F669 HydrophobicContact CD1-CD1 4.42Å; L355-F669 HydrophobicContact CD1-CE1 3.53Å; L355-F669 HydrophobicContact CD1-CZ 3.65Å; L355-F669 HydrophobicContact CD2-CE1 3.91Å; L355-F669 HydrophobicContact CD2-CZ 3.63Å; L355-F669 HydrophobicContact CG-CE1 4.19Å; L355-F669 HydrophobicContact CG-CZ 4.26Å; L355-L670 HydrophobicContact CB-CD2 3.83Å; L355-L670 HydrophobicContact CD1-CD2 3.49Å; L355-L670 VanDerWaalsContact CD1-CD2 3.49Å; L355-L670 HydrophobicContact CG-CD2 4.3Å; L355-W673 HydrophobicContact CD1-CB 4.4Å; L355-W673 HydrophobicContact CD1-CD2 3.48Å; L355-W673 VanDerWaalsContact CD1-CD2 3.48Å; L355-W673 HydrophobicContact CD1-CE3 3.05Å; L355-W673 HydrophobicContact CD1-CG 4.08Å; L355-W673 HydrophobicContact CD1-CH2 4.24Å; L355-W673 HydrophobicContact CD1-CZ3 3.45Å; L355-W673 VanDerWaalsContact CD1-CZ3 3.45Å; L355-W673 HydrophobicContact CG-CD2 4.3Å; L355-W673 HydrophobicContact CG-CE3 3.83Å; L355-W673 HydrophobicContact CG-CH2 4.12Å; L355-W673 HydrophobicContact CG-CZ3 3.68Å; L355-F674 HydrophobicContact CD1-CZ 4.14Å; L355-F674 WeakPolarHBondContact O-CZ 3.44Å |
| 356 | I | 84 | Confident | 85.7 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 178.4 | -55.7 | 168.6 | 0 | 0 | 0 | 110.3 | T287 V290 L291 I294 L348 D353 S358 A359 A360 | T287-I356 HydrophobicContact CG2-CD1 3.25Å; V290-I356 HydrophobicContact CG1-CG2 4.04Å; L291-I356 HydrophobicContact CD1-CG1 4.23Å; L291-I356 HydrophobicContact CD2-CB 4.23Å; L291-I356 HydrophobicContact CD2-CG1 3.75Å; L291-I356 HydrophobicContact CG-CG1 3.93Å; I294-I356 HydrophobicContact CD1-CG2 4.45Å; L348-I356 HydrophobicContact CB-CG2 4.1Å; L348-I356 HydrophobicContact CD1-CG2 4.33Å; L348-I356 HydrophobicContact CD2-CG2 3.94Å; L348-I356 HydrophobicContact CG-CG2 4.34Å; D353-I356 HydrophobicContact CB-CB 4.31Å; D353-I356 HydrophobicContact CB-CD1 3.88Å; D353-I356 HydrophobicContact CB-CG1 4.18Å; D353-I356 PolarHBondContact OD1-N 3.47Å; I356-S358 VanDerWaalsContact C-N 3.31Å; I356-S358 PolarHBondContact O-N 3.18Å; I356-A359 PolarHBondContact O-N 3.14Å; I356-A360 WeakPolarHBondContact O-CB 3.26Å; I356-A360 PolarHBondContact O-N 3.43Å |
| 357 | G | 87.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L348 D353 L355 A360 L361 | L348-G357 VanDerWaalsContact O-CA 3.28Å; L348-G357 WeakPolarHBondContact O-CA 3.45Å; D353-G357 PolarHBondContact O-N 3.36Å; L355-G357 VanDerWaalsContact C-N 3.34Å; G357-A360 PolarHBondContact O-N 3.4Å; G357-L361 WeakPolarHBondContact O-CG 3.5Å; G357-L361 PolarHBondContact O-N 2.84Å; G357-L361 VanDerWaalsContact O-N 3.12Å |
| 358 | S | 83.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.6 | -35.4 | 176.7 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | D354 I356 A360 L361 D362 | D354-S358 WeakPolarHBondContact O-CB 2.99Å; D354-S358 PolarHBondContact O-N 3.44Å; D354-S358 PolarHBondContact O-OG 3.24Å; I356-S358 VanDerWaalsContact C-N 3.31Å; I356-S358 PolarHBondContact O-N 3.18Å; S358-A360 VanDerWaalsContact C-N 3.33Å; S358-A360 PolarHBondContact O-N 3.2Å; S358-L361 PolarHBondContact O-N 3.41Å; S358-D362 PolarHBondContact O-N 2.73Å |
| 359 | A | 84 | Confident | 84.8 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L291 I294 L355 I356 L361 D362 L363 W673 F674 | L291-A359 HydrophobicContact CD2-CB 4.04Å; I294-A359 HydrophobicContact CD1-CB 4.39Å; I294-A359 HydrophobicContact CG2-CB 3.9Å; I294-A359 VanDerWaalsContact CG2-O 3.23Å; I294-A359 WeakPolarHBondContact CG2-O 3.29Å; L355-A359 WeakPolarHBondContact O-CB 3.45Å; L355-A359 PolarHBondContact O-N 3.02Å; I356-A359 PolarHBondContact O-N 3.14Å; A359-L361 VanDerWaalsContact C-N 3.32Å; A359-D362 WeakPolarHBondContact O-CB 3.38Å; A359-D362 PolarHBondContact O-N 3.38Å; A359-L363 PolarHBondContact O-N 3.24Å; A359-W673 HydrophobicContact CB-CH2 4.03Å; A359-W673 HydrophobicContact CB-CZ3 3.96Å; A359-F674 HydrophobicContact CB-CE1 4.4Å |
| 360 | A | 91.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.5 | -38 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I294 L345 L348 A349 I356 G357 S358 L363 L364 | I294-A360 HydrophobicContact CD1-CB 4.24Å; L345-A360 HydrophobicContact CD2-CB 4.33Å; L348-A360 HydrophobicContact CB-CB 3.86Å; A349-A360 HydrophobicContact CB-CB 4.36Å; I356-A360 WeakPolarHBondContact O-CB 3.26Å; I356-A360 PolarHBondContact O-N 3.43Å; G357-A360 PolarHBondContact O-N 3.4Å; S358-A360 VanDerWaalsContact C-N 3.33Å; S358-A360 PolarHBondContact O-N 3.2Å; A360-L363 PolarHBondContact O-N 2.98Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.34Å; A360-L364 PolarHBondContact O-N 2.86Å |
| 361 | L | 89.3 | Confident | 83 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 174.5 | -70.7 | 168.9 | 0 | 0 | 0 | 112.7 | A349 G357 S358 A359 L364 D365 R423 L426 L427 | A349-L361 HydrophobicContact CB-CD2 3.88Å; A349-L361 HydrophobicContact CB-CG 3.92Å; G357-L361 WeakPolarHBondContact O-CG 3.5Å; G357-L361 PolarHBondContact O-N 2.84Å; G357-L361 VanDerWaalsContact O-N 3.12Å; S358-L361 PolarHBondContact O-N 3.41Å; A359-L361 VanDerWaalsContact C-N 3.32Å; L361-L364 HydrophobicContact CD2-CD1 4.19Å; L361-L364 WeakPolarHBondContact O-CB 3.23Å; L361-L364 PolarHBondContact O-N 2.98Å; L361-D365 PolarHBondContact O-N 3.22Å; L361-R423 HydrophobicContact CD1-CG 3.75Å; L361-L426 HydrophobicContact CB-CB 4.28Å; L361-L426 HydrophobicContact CB-CD1 4.39Å; L361-L426 HydrophobicContact CD1-CB 3.79Å; L361-L426 HydrophobicContact CD1-CD1 4.4Å; L361-L427 HydrophobicContact CD1-CD2 4.27Å; L361-L427 HydrophobicContact CD1-CG 3.84Å; L361-L427 HydrophobicContact CD2-CD2 3.44Å; L361-L427 VanDerWaalsContact CD2-CD2 3.44Å; L361-L427 HydrophobicContact CD2-CG 3.93Å |
| 362 | D | 84.5 | Confident | 81.8 | Confident | 19 Ų | 19 | 29.8 Ų | 29.8 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.9 | -169.5 | 34.2 | 0 | 0 | 0 | 111.3 | R298 S358 A359 D365 E366 | R298-D362 VanDerWaalsContact CD-CG 3.5Å; R298-D362 WeakPolarHBondContact CD-OD2 3.39Å; R298-D362 IonicContact CZ-OD2 3.47Å; R298-D362 IonicContact NE-OD2 2.85Å; R298-D362 PolarHBondContact NE-OD2 3.26Å; R298-D362 IonicContact NH1-OD2 3.71Å; R298-D362 PolarHBondContact NH1-OD2 3.41Å; S358-D362 PolarHBondContact O-N 2.73Å; A359-D362 WeakPolarHBondContact O-CB 3.38Å; A359-D362 PolarHBondContact O-N 3.38Å; D362-D365 PolarHBondContact O-N 2.99Å; D362-E366 PolarHBondContact O-N 3.46Å |
| 363 | L | 90.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | 173.6 | 177.1 | 61.6 | 0 | 0 | 0 | 113 | I294 L297 R298 L301 F317 L345 A359 A360 D365 E366 L367 | I294-L363 HydrophobicContact CB-CD2 4.46Å; I294-L363 HydrophobicContact CG1-CD2 4.28Å; I294-L363 HydrophobicContact CG2-CB 3.92Å; I294-L363 HydrophobicContact CG2-CD2 4.15Å; L297-L363 HydrophobicContact CB-CD1 3.86Å; L297-L363 HydrophobicContact CB-CD2 4.18Å; L297-L363 HydrophobicContact CD1-CD2 4.06Å; R298-L363 HydrophobicContact CB-CD1 4.4Å; L301-L363 HydrophobicContact CD1-CD1 3.67Å; F317-L363 HydrophobicContact CZ-CD2 4.38Å; L345-L363 HydrophobicContact CD1-CD2 4.01Å; L345-L363 HydrophobicContact CD1-CG 4.21Å; L345-L363 HydrophobicContact CD2-CD2 3.91Å; A359-L363 PolarHBondContact O-N 3.24Å; A360-L363 PolarHBondContact O-N 2.98Å; L363-D365 VanDerWaalsContact C-N 3.28Å; L363-D365 PolarHBondContact O-N 3.48Å; L363-E366 PolarHBondContact O-N 3.36Å; L363-L367 HydrophobicContact CD1-CG 4.31Å; L363-L367 HydrophobicContact CG-CD1 4.22Å; L363-L367 HydrophobicContact CG-CG 4.48Å; L363-L367 WeakPolarHBondContact O-CB 3.2Å; L363-L367 VanDerWaalsContact O-CG 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.33Å; L363-L367 PolarHBondContact O-N 3.35Å |
| 364 | L | 91.1 | Very high | 79.5 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 174.4 | -78 | 167.5 | 0 | 0 | 0 | 111.3 | L342 L345 F346 A360 L361 L367 V368 L386 H430 | L342-L364 HydrophobicContact CD2-CD2 4.15Å; L345-L364 HydrophobicContact CB-CD1 4.33Å; L345-L364 HydrophobicContact CB-CD2 4.06Å; L345-L364 HydrophobicContact CB-CG 4.15Å; L345-L364 HydrophobicContact CD1-CD2 3.85Å; L345-L364 HydrophobicContact CD1-CG 4.09Å; F346-L364 HydrophobicContact CD1-CD1 4.17Å; F346-L364 HydrophobicContact CE1-CD1 3.94Å; F346-L364 HydrophobicContact CE2-CD2 4.27Å; F346-L364 HydrophobicContact CZ-CD1 4.18Å; F346-L364 HydrophobicContact CZ-CD2 4.31Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.34Å; A360-L364 PolarHBondContact O-N 2.86Å; L361-L364 HydrophobicContact CD2-CD1 4.19Å; L361-L364 WeakPolarHBondContact O-CB 3.23Å; L361-L364 PolarHBondContact O-N 2.98Å; L364-L367 PolarHBondContact O-N 3.25Å; L364-V368 PolarHBondContact O-N 3.07Å; L364-L386 HydrophobicContact CD2-CD2 4.46Å; L364-H430 PolarHBondContact O-CE1 3.37Å |
| 365 | D | 86.3 | Confident | 78.6 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -41 | 176.7 | -159 | 65.8 | 0 | 0 | 0 | 112.2 | L361 D362 L363 L367 V368 R369 H430 H433 | L361-D365 PolarHBondContact O-N 3.22Å; D362-D365 PolarHBondContact O-N 2.99Å; L363-D365 VanDerWaalsContact C-N 3.28Å; L363-D365 PolarHBondContact O-N 3.48Å; D365-L367 PolarHBondContact O-N 3.01Å; D365-V368 VanDerWaalsContact O-CG2 3.26Å; D365-V368 WeakPolarHBondContact O-CG2 3.22Å; D365-V368 PolarHBondContact O-N 3.34Å; D365-R369 PolarHBondContact O-N 3.17Å; D365-R369 IonicContact OD2-NH2 2.77Å; D365-H430 IonicContact OD1-ND1 3.98Å; D365-H430 PolarHBondContact OD1-ND1 3.06Å; D365-H433 IonicContact OD1-CE1 2.99Å; D365-H433 IonicContact OD1-CG 3.33Å; D365-H433 IonicContact OD1-ND1 2.9Å; D365-H433 PolarHBondContact OD1-ND1 3.42Å; D365-H433 IonicContact OD2-CE1 3.83Å; D365-H433 IonicContact OD2-ND1 2.93Å; D365-H433 PolarHBondContact OD2-ND1 3.12Å |
| 366 | E | 85.8 | Confident | 78.1 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 176.6 | -160.4 | 63.6 | -132.2 | 0 | 0 | 112.7 | R298 L301 E302 D362 L363 V368 R369 | R298-E366 HydrophobicContact CG-CB 4.1Å; R298-E366 HydrophobicContact CG-CG 4.07Å; L301-E366 HydrophobicContact CB-CG 3.53Å; L301-E366 HydrophobicContact CD1-CB 4.19Å; L301-E366 HydrophobicContact CD1-CG 4.03Å; L301-E366 HydrophobicContact CG-CG 4.43Å; E302-E366 HydrophobicContact CG-CG 4.22Å; D362-E366 PolarHBondContact O-N 3.46Å; L363-E366 PolarHBondContact O-N 3.36Å; E366-V368 VanDerWaalsContact C-N 3.3Å; E366-V368 PolarHBondContact O-N 3.28Å; E366-R369 PolarHBondContact O-N 3.18Å; E366-R369 IonicContact OE1-CZ 2.74Å; E366-R369 IonicContact OE1-NE 3.12Å; E366-R369 IonicContact OE1-NH1 3.53Å; E366-R369 PolarHBondContact OE1-NH1 3.39Å; E366-R369 IonicContact OE2-CZ 2.64Å; E366-R369 IonicContact OE2-NE 2.82Å; E366-R369 IonicContact OE2-NH1 3.59Å; E366-R369 PolarHBondContact OE2-NH1 2.96Å; E366-R369 IonicContact OE2-NH2 2.81Å; E366-R369 PolarHBondContact OE2-NH2 2.89Å |
| 367 | L | 89 | Confident | 77.2 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | 177.5 | -79.3 | 168.5 | 0 | 0 | 0 | 112.2 | L301 I313 R314 F317 F318 L342 L345 L363 L364 D365 | L301-L367 HydrophobicContact CD1-CD2 3.73Å; L301-L367 HydrophobicContact CD1-CG 3.97Å; L301-L367 HydrophobicContact CD2-CD2 4.41Å; I313-L367 HydrophobicContact CG2-CD2 4.25Å; R314-L367 HydrophobicContact CG-CD2 4.3Å; R314-L367 PolarHBondContact NE-O 2.63Å; F317-L367 HydrophobicContact CB-CD1 4.24Å; F317-L367 HydrophobicContact CB-CD2 4.26Å; F317-L367 HydrophobicContact CD1-CD1 3.91Å; F317-L367 HydrophobicContact CD2-CD1 3.99Å; F317-L367 HydrophobicContact CD2-CD2 3.66Å; F317-L367 HydrophobicContact CD2-CG 4.49Å; F317-L367 HydrophobicContact CE1-CD1 4.26Å; F317-L367 HydrophobicContact CE2-CD1 4.32Å; F317-L367 HydrophobicContact CE2-CD2 4.24Å; F317-L367 HydrophobicContact CG-CD1 3.77Å; F317-L367 HydrophobicContact CG-CD2 4.05Å; F317-L367 HydrophobicContact CZ-CD1 4.44Å; F318-L367 HydrophobicContact CZ-CB 3.98Å; L342-L367 HydrophobicContact CD2-CD1 4.47Å; L345-L367 HydrophobicContact CD1-CD1 3.79Å; L363-L367 HydrophobicContact CD1-CG 4.31Å; L363-L367 HydrophobicContact CG-CD1 4.22Å; L363-L367 HydrophobicContact CG-CG 4.48Å; L363-L367 WeakPolarHBondContact O-CB 3.2Å; L363-L367 VanDerWaalsContact O-CG 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.33Å; L363-L367 PolarHBondContact O-N 3.35Å; L364-L367 PolarHBondContact O-N 3.25Å; D365-L367 PolarHBondContact O-N 3.01Å |
| 368 | V | 86.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -90 | -13.7 | -178.9 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | F318 L364 D365 E366 I370 I381 L386 L434 L437 | F318-V368 HydrophobicContact CZ-CG1 4.46Å; L364-V368 PolarHBondContact O-N 3.07Å; D365-V368 VanDerWaalsContact O-CG2 3.26Å; D365-V368 WeakPolarHBondContact O-CG2 3.22Å; D365-V368 PolarHBondContact O-N 3.34Å; E366-V368 VanDerWaalsContact C-N 3.3Å; E366-V368 PolarHBondContact O-N 3.28Å; V368-I370 PolarHBondContact O-N 3.3Å; V368-I381 HydrophobicContact CG1-CG2 4.2Å; V368-L386 HydrophobicContact CG1-CD1 3.61Å; V368-L434 HydrophobicContact CB-CD2 4.49Å; V368-L434 HydrophobicContact CG1-CD2 4.12Å; V368-L434 HydrophobicContact CG2-CD2 4.49Å; V368-L437 HydrophobicContact CB-CD1 4.13Å |
| 369 | R | 81.2 | Confident | 76 | Confident | 94 Ų | 94 | 48.1 Ų | 48.1 | 36% | 0.355 | 26% | 0.257 | S | S | . | . | trans | -61.4 | 121.5 | 178.1 | -169.5 | -179.8 | -65.9 | 157.7 | 6.7 | 110.3 | R314 D365 E366 P371 | R314-R369 PolarHBondContact NH2-O 3.34Å; D365-R369 PolarHBondContact O-N 3.17Å; D365-R369 IonicContact OD2-NH2 2.77Å; E366-R369 PolarHBondContact O-N 3.18Å; E366-R369 IonicContact OE1-CZ 2.74Å; E366-R369 IonicContact OE1-NE 3.12Å; E366-R369 IonicContact OE1-NH1 3.53Å; E366-R369 PolarHBondContact OE1-NH1 3.39Å; E366-R369 IonicContact OE2-CZ 2.64Å; E366-R369 IonicContact OE2-NE 2.82Å; E366-R369 IonicContact OE2-NH1 3.59Å; E366-R369 PolarHBondContact OE2-NH1 2.96Å; E366-R369 IonicContact OE2-NH2 2.81Å; E366-R369 PolarHBondContact OE2-NH2 2.89Å; R369-P371 WeakPolarHBondContact O-CD 3.42Å | ||
| 370 | I | 71 | Confident | 75.7 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | trans | -86.6 | 115.5 | 172.8 | -58.9 | 179 | 0 | 0 | 0 | 107.4 | V368 I381 L437 | V368-I370 PolarHBondContact O-N 3.3Å; I370-I381 HydrophobicContact CG1-CD1 4.41Å; I370-L437 HydrophobicContact CD1-CD2 3.5Å; I370-L437 HydrophobicContact CG1-CD2 3.95Å | ||
| 371 | P | 65.4 | Low | 75.2 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 16% | 0.156 | 30% | 0.296 | C | S | . | . | trans | -64.5 | 145.2 | 177.1 | 24.6 | -30.8 | 0 | 0 | 0 | 110.4 | V305 R369 S373 | V305-P371 HydrophobicContact CG1-CB 3.68Å; V305-P371 HydrophobicContact CG1-CG 4.08Å; R369-P371 WeakPolarHBondContact O-CD 3.42Å; P371-S373 PolarHBondContact O-N 2.96Å | ||
| 372 | D | 59 | Low | 75 | Confident | 178 Ų | 178 | 55.4 Ų | 55.4 | 95% | 0.952 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -63.1 | 6.4 | 175.6 | -69.1 | -31.6 | 0 | 0 | 0 | 113.8 | ||
| 373 | S | 57.7 | Low | 74.9 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -72.3 | 152.1 | -179.7 | 74.4 | 0 | 0 | 0 | 0 | 110.9 | P371 N375 | P371-S373 PolarHBondContact O-N 2.96Å; S373-N375 PolarHBondContact O-N 3.47Å; S373-N375 PolarHBondContact OG-O 3.42Å |
| 374 | K | 51 | Low | 74.5 | Confident | 206 Ų | 206 | 59.9 Ų | 59.9 | 90% | 0.896 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -61.8 | -12.2 | -174.9 | -71.2 | -175.7 | 177.1 | -178.9 | 0 | 114.7 | ||
| 375 | N | 57.8 | Low | 74.2 | Confident | 119 Ų | 119 | 62.7 Ų | 62.7 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -114.4 | 107.2 | -177.2 | -65.4 | -17.5 | 0 | 0 | 0 | 107.9 | S373 | S373-N375 PolarHBondContact O-N 3.47Å; S373-N375 PolarHBondContact OG-O 3.42Å |
| 376 | P | 63.5 | Low | 74.4 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | trans | -57.6 | 153.8 | 172.2 | 26.4 | -33.7 | 0 | 0 | 0 | 109.7 | S378 | P376-S378 PolarHBondContact O-N 3.12Š| ||
| 377 | P | 65.4 | Low | 74.6 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 14% | 0.143 | 32% | 0.324 | C | S | . | . | trans | -53.1 | 137.2 | 178.2 | 22.8 | -32.9 | 0 | 0 | 0 | 109.7 | D311 V379 | D311-P377 WeakPolarHBondContact OD1-CA 2.82Å; P377-V379 PolarHBondContact O-N 3.26Å; P377-V379 VanDerWaalsContact O-N 3.09Å | ||
| 378 | S | 70.2 | Confident | 74.6 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 57% | 0.566 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -66 | -10.9 | 179.4 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | D311 P376 | D311-S378 VanDerWaalsContact CG-OG 3.3Å; D311-S378 WeakPolarHBondContact OD2-CB 3.4Å; D311-S378 PolarHBondContact OD2-N 3.15Å; D311-S378 PolarHBondContact OD2-OG 3.32Å; P376-S378 PolarHBondContact O-N 3.12Å |
| 379 | V | 75.7 | Confident | 74.9 | Confident | 22 Ų | 22 | 64 Ų | 64 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -99.7 | 132.5 | -173.4 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | R314 Q315 F318 P377 I381 | R314-V379 HydrophobicContact CB-CB 4.42Å; R314-V379 HydrophobicContact CB-CG2 4.13Å; Q315-V379 HydrophobicContact CB-CG2 4.44Å; Q315-V379 HydrophobicContact CG-CG1 4.48Å; Q315-V379 HydrophobicContact CG-CG2 3.39Å; F318-V379 HydrophobicContact CB-CG1 3.83Å; F318-V379 HydrophobicContact CD2-CB 4.44Å; F318-V379 HydrophobicContact CD2-CG1 3.78Å; F318-V379 HydrophobicContact CG-CG1 4.32Å; P377-V379 PolarHBondContact O-N 3.26Å; P377-V379 VanDerWaalsContact O-N 3.09Å; V379-I381 PolarHBondContact O-N 2.9Å |
| 380 | T | 78.1 | Confident | 75.5 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 74% | 0.736 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 118.7 | 171.9 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 381 | I | 81.4 | Confident | 76.5 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -73 | 126.8 | 176.4 | -59.8 | 173.1 | 0 | 0 | 0 | 109.1 | F318 V368 I370 V379 R383 L386 | F318-I381 HydrophobicContact CE2-CG1 4.02Å; F318-I381 HydrophobicContact CZ-CG1 4.47Å; F318-I381 HydrophobicContact CZ-CG2 4.37Å; V368-I381 HydrophobicContact CG1-CG2 4.2Å; I370-I381 HydrophobicContact CG1-CD1 4.41Å; V379-I381 PolarHBondContact O-N 2.9Å; I381-R383 VanDerWaalsContact C-N 3.25Å; I381-R383 HydrophobicContact CB-CG 4.3Å; I381-R383 HydrophobicContact CG2-CG 4.05Å; I381-R383 WeakPolarHBondContact O-CG 3.32Å; I381-R383 PolarHBondContact O-N 3.26Å; I381-L386 HydrophobicContact CG2-CD1 3.61Å |
| 382 | P | 84.3 | Confident | 77.7 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 14% | 0.143 | 32% | 0.319 | C | S | . | . | trans | -79.7 | 70 | -179.9 | 33.5 | -35.6 | 0 | 0 | 0 | 111.2 | F318 L342 D384 F385 L386 | F318-P382 HydrophobicContact CB-CG 4.42Å; F318-P382 HydrophobicContact CD1-CG 3.76Å; F318-P382 HydrophobicContact CE1-CG 4.39Å; F318-P382 HydrophobicContact CG-CG 4.32Å; L342-P382 HydrophobicContact CD1-CG 4.11Å; P382-D384 PolarHBondContact O-N 3.1Å; P382-F385 HydrophobicContact CB-CB 4.29Å; P382-F385 PolarHBondContact O-N 3.37Å; P382-L386 HydrophobicContact CG-CD1 4.26Å; P382-L386 HydrophobicContact CG-CG 4.36Å; P382-L386 WeakPolarHBondContact O-CG 3.38Å; P382-L386 PolarHBondContact O-N 3.41Å | ||
| 383 | R | 82.5 | Confident | 79.2 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 21% | 0.211 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | -167 | -51.9 | -179.1 | -179.6 | 155.1 | 0.9 | 113.6 | I381 F385 L386 F387 L437 F438 D441 | I381-R383 VanDerWaalsContact C-N 3.25Å; I381-R383 HydrophobicContact CB-CG 4.3Å; I381-R383 HydrophobicContact CG2-CG 4.05Å; I381-R383 WeakPolarHBondContact O-CG 3.32Å; I381-R383 PolarHBondContact O-N 3.26Å; R383-F385 PolarHBondContact O-N 3.49Å; R383-L386 PolarHBondContact O-N 3.35Å; R383-F387 WeakPolarHBondContact O-CB 3.14Å; R383-F387 PolarHBondContact O-N 3.08Å; R383-L437 PolarHBondContact NH1-O 2.79Å; R383-F438 HydrophobicContact CB-CE1 3.58Å; R383-F438 HydrophobicContact CB-CE2 4.15Å; R383-F438 HydrophobicContact CB-CZ 3.23Å; R383-F438 HydrophobicContact CG-CE1 4.27Å; R383-F438 HydrophobicContact CG-CZ 4.22Å; R383-D441 IonicContact CZ-OD2 3.86Å; R383-D441 IonicContact NH1-OD2 3.16Å; R383-D441 PolarHBondContact NH1-OD2 2.89Å; R383-D441 IonicContact NH2-OD2 3.21Å; R383-D441 PolarHBondContact NH2-OD2 3.14Å |
| 384 | D | 81.9 | Confident | 80.8 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 179.9 | -66 | 19.1 | 0 | 0 | 0 | 111.3 | P382 L386 F387 V388 S453 I455 | P382-D384 PolarHBondContact O-N 3.1Å; D384-L386 PolarHBondContact O-N 3.32Å; D384-F387 PolarHBondContact O-N 3.37Å; D384-V388 VanDerWaalsContact O-CG2 3.24Å; D384-V388 WeakPolarHBondContact O-CG2 3.45Å; D384-V388 PolarHBondContact O-N 2.69Å; D384-S453 WeakPolarHBondContact OD2-CB 3.43Å; D384-I455 WeakPolarHBondContact OD1-CD1 3.31Å |
| 385 | F | 85.6 | Confident | 82.6 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 177.1 | 176.7 | -92.3 | 0 | 0 | 0 | 111.5 | N339 L342 F346 P382 R383 F387 V388 K389 | N339-F385 HydrophobicContact CB-CE1 4.05Å; N339-F385 HydrophobicContact CB-CE2 4.46Å; N339-F385 HydrophobicContact CB-CZ 3.93Å; L342-F385 HydrophobicContact CB-CE1 4.01Å; L342-F385 HydrophobicContact CD1-CD1 4.15Å; L342-F385 HydrophobicContact CD1-CE1 3.99Å; F346-F385 HydrophobicContact CE2-CE1 4.38Å; P382-F385 HydrophobicContact CB-CB 4.29Å; P382-F385 PolarHBondContact O-N 3.37Å; R383-F385 PolarHBondContact O-N 3.49Å; F385-F387 VanDerWaalsContact C-N 3.33Å; F385-F387 PolarHBondContact O-N 3.26Å; F385-V388 PolarHBondContact O-N 2.99Å; F385-K389 HydrophobicContact CD1-CG 4.3Å; F385-K389 HydrophobicContact CD2-CG 4.37Å; F385-K389 HydrophobicContact CE1-CG 3.95Å; F385-K389 HydrophobicContact CE2-CD 4.5Å; F385-K389 HydrophobicContact CE2-CG 4.04Å; F385-K389 HydrophobicContact CG-CG 4.5Å; F385-K389 HydrophobicContact CZ-CD 4.35Å; F385-K389 HydrophobicContact CZ-CG 3.82Å; F385-K389 WeakPolarHBondContact O-CB 3.29Å; F385-K389 VanDerWaalsContact O-CG 3.29Å; F385-K389 WeakPolarHBondContact O-CG 3.29Å; F385-K389 PolarHBondContact O-N 3.23Å |
| 386 | L | 89.4 | Confident | 84 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 178.3 | -70.9 | 165.7 | 0 | 0 | 0 | 111.3 | F318 L342 F346 L364 V368 I381 P382 R383 D384 T390 L434 | F318-L386 HydrophobicContact CE1-CD1 4.28Å; L342-L386 HydrophobicContact CD1-CD2 4.38Å; L342-L386 HydrophobicContact CD2-CD2 4.18Å; F346-L386 HydrophobicContact CE2-CD2 3.96Å; F346-L386 HydrophobicContact CZ-CD2 4.05Å; L364-L386 HydrophobicContact CD2-CD2 4.46Å; V368-L386 HydrophobicContact CG1-CD1 3.61Å; I381-L386 HydrophobicContact CG2-CD1 3.61Å; P382-L386 HydrophobicContact CG-CD1 4.26Å; P382-L386 HydrophobicContact CG-CG 4.36Å; P382-L386 WeakPolarHBondContact O-CG 3.38Å; P382-L386 PolarHBondContact O-N 3.41Å; R383-L386 PolarHBondContact O-N 3.35Å; D384-L386 PolarHBondContact O-N 3.32Å; L386-T390 VanDerWaalsContact O-CB 3.29Å; L386-T390 WeakPolarHBondContact O-CB 3.25Å; L386-T390 PolarHBondContact O-N 2.95Å; L386-T390 PolarHBondContact O-OG1 3.37Å; L386-L434 HydrophobicContact CB-CD1 4.06Å; L386-L434 HydrophobicContact CB-CD2 4.06Å; L386-L434 HydrophobicContact CD1-CD2 4.29Å |
| 387 | F | 90.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -52.4 | 178.7 | -169.1 | -89.8 | 0 | 0 | 0 | 111.4 | R383 D384 F385 K389 T390 V391 L431 L434 L435 I455 Q458 I459 L462 | R383-F387 WeakPolarHBondContact O-CB 3.14Å; R383-F387 PolarHBondContact O-N 3.08Å; D384-F387 PolarHBondContact O-N 3.37Å; F385-F387 VanDerWaalsContact C-N 3.33Å; F385-F387 PolarHBondContact O-N 3.26Å; F387-K389 PolarHBondContact O-N 2.72Å; F387-T390 PolarHBondContact O-N 3.49Å; F387-V391 HydrophobicContact CD1-CG2 4.14Å; F387-V391 HydrophobicContact CE1-CG2 3.85Å; F387-V391 HydrophobicContact CZ-CG2 4.33Å; F387-V391 WeakPolarHBondContact O-CG2 3.45Å; F387-V391 PolarHBondContact O-N 3.3Å; F387-L431 HydrophobicContact CD2-CD2 3.96Å; F387-L431 HydrophobicContact CE2-CD2 3.88Å; F387-L431 HydrophobicContact CZ-CD2 4.38Å; F387-L434 HydrophobicContact CB-CD1 4.49Å; F387-L434 HydrophobicContact CD2-CB 4.35Å; F387-L435 HydrophobicContact CE2-CD2 3.73Å; F387-L435 HydrophobicContact CE2-CG 4.04Å; F387-L435 HydrophobicContact CZ-CD2 4.29Å; F387-I455 HydrophobicContact CB-CG1 4.33Å; F387-I455 HydrophobicContact CD1-CB 4.27Å; F387-I455 HydrophobicContact CD1-CG1 4.25Å; F387-I455 HydrophobicContact CD1-CG2 3.81Å; F387-I455 HydrophobicContact CD2-CG2 4.45Å; F387-I455 HydrophobicContact CE1-CG2 3.71Å; F387-I455 HydrophobicContact CE2-CG2 4.36Å; F387-I455 HydrophobicContact CG-CG1 4.31Å; F387-I455 HydrophobicContact CG-CG2 4.19Å; F387-I455 HydrophobicContact CZ-CG2 4Å; F387-Q458 HydrophobicContact CD1-CB 4.18Å; F387-Q458 HydrophobicContact CE1-CB 3.86Å; F387-I459 HydrophobicContact CE1-CG1 4.49Å; F387-I459 HydrophobicContact CZ-CG1 4.32Å; F387-L462 HydrophobicContact CZ-CD2 4Å |
| 388 | V | 90.3 | Very high | 85.4 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 179 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | D384 F385 T390 V391 E392 D454 Q458 | D384-V388 VanDerWaalsContact O-CG2 3.24Å; D384-V388 WeakPolarHBondContact O-CG2 3.45Å; D384-V388 PolarHBondContact O-N 2.69Å; F385-V388 PolarHBondContact O-N 2.99Å; V388-T390 VanDerWaalsContact C-N 3.34Å; V388-T390 PolarHBondContact O-N 3.22Å; V388-V391 PolarHBondContact O-N 3.48Å; V388-E392 WeakPolarHBondContact O-CG 3.24Å; V388-E392 PolarHBondContact O-N 3.17Å; V388-D454 HydrophobicContact CG2-CB 3.91Å; V388-Q458 HydrophobicContact CB-CG 4.47Å; V388-Q458 HydrophobicContact CG2-CG 3.82Å |
| 389 | K | 91.7 | Very high | 85.2 | Confident | 48 Ų | 48 | 41.3 Ų | 41.3 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.6 | -33 | -178.9 | -69.7 | -70.5 | 156.8 | -154 | 0 | 113.2 | F346 F385 F387 E392 A393 | F346-K389 HydrophobicContact CD1-CB 3.9Å; F346-K389 HydrophobicContact CD2-CB 3.64Å; F346-K389 HydrophobicContact CD2-CG 4.17Å; F346-K389 HydrophobicContact CE1-CB 3.76Å; F346-K389 HydrophobicContact CE2-CB 3.48Å; F346-K389 VanDerWaalsContact CE2-CB 3.48Å; F346-K389 HydrophobicContact CE2-CG 4.2Å; F346-K389 HydrophobicContact CG-CB 3.86Å; F346-K389 HydrophobicContact CZ-CB 3.55Å; F385-K389 HydrophobicContact CD1-CG 4.3Å; F385-K389 HydrophobicContact CD2-CG 4.37Å; F385-K389 HydrophobicContact CE1-CG 3.95Å; F385-K389 HydrophobicContact CE2-CD 4.5Å; F385-K389 HydrophobicContact CE2-CG 4.04Å; F385-K389 HydrophobicContact CG-CG 4.5Å; F385-K389 HydrophobicContact CZ-CD 4.35Å; F385-K389 HydrophobicContact CZ-CG 3.82Å; F385-K389 WeakPolarHBondContact O-CB 3.29Å; F385-K389 VanDerWaalsContact O-CG 3.29Å; F385-K389 WeakPolarHBondContact O-CG 3.29Å; F385-K389 PolarHBondContact O-N 3.23Å; F387-K389 PolarHBondContact O-N 2.72Å; K389-E392 WeakPolarHBondContact CD-OE2 3.48Å; K389-E392 IonicContact NZ-OE1 3.16Å; K389-E392 PolarHBondContact NZ-OE1 3.19Å; K389-E392 IonicContact NZ-OE2 3.82Å; K389-E392 PolarHBondContact NZ-OE2 3.2Å; K389-E392 PolarHBondContact O-N 3Å; K389-A393 WeakPolarHBondContact O-CB 3.38Å; K389-A393 PolarHBondContact O-N 3.45Å |
| 390 | T | 92.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.4 | -40.3 | 175 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | F346 L386 F387 V388 A393 L394 L427 H430 L431 | F346-T390 WeakPolarHBondContact CE1-OG1 3.42Å; L386-T390 VanDerWaalsContact O-CB 3.29Å; L386-T390 WeakPolarHBondContact O-CB 3.25Å; L386-T390 PolarHBondContact O-N 2.95Å; L386-T390 PolarHBondContact O-OG1 3.37Å; F387-T390 PolarHBondContact O-N 3.49Å; V388-T390 VanDerWaalsContact C-N 3.34Å; V388-T390 PolarHBondContact O-N 3.22Å; T390-A393 PolarHBondContact O-N 3.13Å; T390-L394 WeakPolarHBondContact O-CB 3.33Å; T390-L394 PolarHBondContact O-N 3.35Å; T390-L427 HydrophobicContact CG2-CD2 3.77Å; T390-H430 HydrophobicContact CG2-CB 4.46Å; T390-H430 PolarHBondContact OG1-CD2 3.41Å; T390-L431 HydrophobicContact CG2-CD1 4.3Å; T390-L431 HydrophobicContact CG2-CD2 3.62Å; T390-L431 HydrophobicContact CG2-CG 3.55Å |
| 391 | V | 92.2 | Very high | 83.4 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 173.4 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | F387 V388 L394 R395 L431 L462 | F387-V391 HydrophobicContact CD1-CG2 4.14Å; F387-V391 HydrophobicContact CE1-CG2 3.85Å; F387-V391 HydrophobicContact CZ-CG2 4.33Å; F387-V391 WeakPolarHBondContact O-CG2 3.45Å; F387-V391 PolarHBondContact O-N 3.3Å; V388-V391 PolarHBondContact O-N 3.48Å; V391-L394 PolarHBondContact O-N 3.1Å; V391-R395 WeakPolarHBondContact O-CG 3.48Å; V391-R395 PolarHBondContact O-N 3.04Å; V391-L431 HydrophobicContact CG2-CD1 4.45Å; V391-L431 HydrophobicContact CG2-CD2 3.9Å; V391-L462 HydrophobicContact CG1-CB 4.41Å; V391-L462 HydrophobicContact CG2-CB 4.35Å; V391-L462 HydrophobicContact CG2-CD1 4.4Å; V391-L462 HydrophobicContact CG2-CD2 4.3Å |
| 392 | E | 90.5 | Very high | 82.1 | Confident | 89 Ų | 89 | 44.5 Ų | 44.5 | 42% | 0.416 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 174.7 | -74.3 | 177.2 | -173.5 | 0 | 0 | 112.1 | V388 K389 R395 K396 | V388-E392 WeakPolarHBondContact O-CG 3.24Å; V388-E392 PolarHBondContact O-N 3.17Å; K389-E392 WeakPolarHBondContact CD-OE2 3.48Å; K389-E392 IonicContact NZ-OE1 3.16Å; K389-E392 PolarHBondContact NZ-OE1 3.19Å; K389-E392 IonicContact NZ-OE2 3.82Å; K389-E392 PolarHBondContact NZ-OE2 3.2Å; K389-E392 PolarHBondContact O-N 3Å; E392-R395 PolarHBondContact O-N 2.97Å; E392-K396 WeakPolarHBondContact O-CB 3.42Å; E392-K396 PolarHBondContact O-N 3.3Å |
| 393 | A | 90.7 | Very high | 80.7 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F346 K389 T390 R395 K396 I397 L427 | F346-A393 HydrophobicContact CD1-CB 4.42Å; K389-A393 WeakPolarHBondContact O-CB 3.38Å; K389-A393 PolarHBondContact O-N 3.45Å; T390-A393 PolarHBondContact O-N 3.13Å; A393-R395 VanDerWaalsContact C-N 3.35Å; A393-R395 PolarHBondContact O-N 2.57Å; A393-K396 PolarHBondContact O-N 3.38Å; A393-I397 VanDerWaalsContact O-CD1 3.31Å; A393-I397 WeakPolarHBondContact O-CD1 3.47Å; A393-I397 VanDerWaalsContact O-CG1 3.25Å; A393-I397 WeakPolarHBondContact O-CG1 3.44Å; A393-I397 PolarHBondContact O-N 3.33Å; A393-I397 VanDerWaalsContact O-N 3.15Å; A393-L427 HydrophobicContact CB-CD2 3.9Å |
| 394 | L | 91.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 177.5 | 177.1 | 63.6 | 0 | 0 | 0 | 111.5 | T390 V391 I397 G398 I424 L427 I428 L431 L462 F465 L466 | T390-L394 WeakPolarHBondContact O-CB 3.33Å; T390-L394 PolarHBondContact O-N 3.35Å; V391-L394 PolarHBondContact O-N 3.1Å; L394-I397 PolarHBondContact O-N 2.94Å; L394-G398 PolarHBondContact O-N 2.94Å; L394-I424 HydrophobicContact CD1-CG2 3.7Å; L394-L427 HydrophobicContact CB-CB 4.34Å; L394-L427 HydrophobicContact CB-CD1 4.22Å; L394-L427 HydrophobicContact CD1-CB 3.98Å; L394-L427 HydrophobicContact CD1-CD1 4.22Å; L394-I428 HydrophobicContact CD1-CG1 4.31Å; L394-I428 HydrophobicContact CD2-CG1 4.49Å; L394-L431 HydrophobicContact CD2-CD1 3.75Å; L394-L462 HydrophobicContact CD2-CD1 3.62Å; L394-F465 HydrophobicContact CD1-CE1 4.13Å; L394-F465 HydrophobicContact CD2-CD1 4.13Å; L394-F465 HydrophobicContact CD2-CE1 4.11Å; L394-F465 HydrophobicContact CG-CD1 4.12Å; L394-F465 HydrophobicContact CG-CE1 3.63Å; L394-L466 HydrophobicContact CD2-CD2 4.35Å |
| 395 | R | 89 | Confident | 78.1 | Confident | 111 Ų | 111 | 48.9 Ų | 48.9 | 42% | 0.419 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 177.9 | -71.4 | 179.5 | 65.3 | -161 | -2.7 | 112.3 | V391 E392 A393 I397 D399 F465 | V391-R395 WeakPolarHBondContact O-CG 3.48Å; V391-R395 PolarHBondContact O-N 3.04Å; E392-R395 PolarHBondContact O-N 2.97Å; A393-R395 VanDerWaalsContact C-N 3.35Å; A393-R395 PolarHBondContact O-N 2.57Å; R395-I397 PolarHBondContact O-N 2.9Å; R395-I397 VanDerWaalsContact O-N 3.16Å; R395-D399 VanDerWaalsContact O-CG 3.31Å; R395-D399 PolarHBondContact O-N 3.42Å; R395-F465 HydrophobicContact CB-CE2 4.36Å; R395-F465 HydrophobicContact CG-CD1 4.43Å; R395-F465 HydrophobicContact CG-CD2 3.93Å; R395-F465 HydrophobicContact CG-CE2 4.17Å; R395-F465 HydrophobicContact CG-CG 4.04Å |
| 396 | K | 86.7 | Confident | 76.4 | Confident | 126 Ų | 126 | 49.3 Ų | 49.3 | 55% | 0.548 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.1 | -34.1 | 178.8 | -172.5 | -173.4 | -179.9 | -164.1 | 0 | 112.5 | G350 E392 A393 | G350-K396 WeakPolarHBondContact O-CE 3.28Å; G350-K396 PolarHBondContact O-NZ 3.29Å; E392-K396 WeakPolarHBondContact O-CB 3.42Å; E392-K396 PolarHBondContact O-N 3.3Å; A393-K396 PolarHBondContact O-N 3.38Å |
| 397 | I | 82.9 | Confident | 74.3 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -92.8 | -42.8 | -174.8 | -60.5 | 161.5 | 0 | 0 | 0 | 111.5 | A349 A393 L394 R395 D399 L400 R423 I424 L427 | A349-I397 WeakPolarHBondContact O-CD1 3.49Å; A393-I397 VanDerWaalsContact O-CD1 3.31Å; A393-I397 WeakPolarHBondContact O-CD1 3.47Å; A393-I397 VanDerWaalsContact O-CG1 3.25Å; A393-I397 WeakPolarHBondContact O-CG1 3.44Å; A393-I397 PolarHBondContact O-N 3.33Å; A393-I397 VanDerWaalsContact O-N 3.15Å; L394-I397 PolarHBondContact O-N 2.94Å; R395-I397 PolarHBondContact O-N 2.9Å; R395-I397 VanDerWaalsContact O-N 3.16Å; I397-D399 VanDerWaalsContact C-N 3.26Å; I397-D399 PolarHBondContact O-N 3.17Å; I397-L400 WeakPolarHBondContact O-CB 3.42Å; I397-L400 PolarHBondContact O-N 3.47Å; I397-R423 VanDerWaalsContact CD1-NE 3.27Å; I397-I424 HydrophobicContact CG2-CD1 4.4Å; I397-I424 HydrophobicContact CG2-CG1 3.84Å; I397-L427 HydrophobicContact CD1-CD1 3.44Å; I397-L427 VanDerWaalsContact CD1-CD1 3.44Å |
| 398 | G | 75.2 | Confident | 72.2 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71 | -20.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L394 L400 S401 | L394-G398 PolarHBondContact O-N 2.94Å; G398-L400 PolarHBondContact O-N 2.89Å; G398-S401 WeakPolarHBondContact O-CB 3.42Å; G398-S401 PolarHBondContact O-N 3Å; G398-S401 VanDerWaalsContact O-N 3.07Å; G398-S401 PolarHBondContact O-OG 3.3Å |
| 399 | D | 66.7 | Low | 70.1 | Confident | 106 Ų | 106 | 65.2 Ų | 65.2 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.5 | 169 | -70.9 | -10.6 | 0 | 0 | 0 | 112.8 | R395 I397 | R395-D399 VanDerWaalsContact O-CG 3.31Å; R395-D399 PolarHBondContact O-N 3.42Å; I397-D399 VanDerWaalsContact C-N 3.26Å; I397-D399 PolarHBondContact O-N 3.17Å |
| 400 | L | 59.4 | Low | 68.2 | Low | 112 Ų | 112 | 63.6 Ų | 63.6 | 59% | 0.586 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.1 | 176.6 | -65.9 | 156.7 | 0 | 0 | 0 | 113.2 | I397 G398 D402 | I397-L400 WeakPolarHBondContact O-CB 3.42Å; I397-L400 PolarHBondContact O-N 3.47Å; G398-L400 PolarHBondContact O-N 2.89Å; L400-D402 VanDerWaalsContact C-N 3.28Å; L400-D402 PolarHBondContact O-N 2.93Å |
| 401 | S | 57.1 | Low | 66.2 | Low | 12 Ų | 12 | 67 Ų | 67 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | trans | -79.4 | -1.3 | -172.2 | 69.2 | 0 | 0 | 0 | 0 | 115.2 | G398 S403 | G398-S401 WeakPolarHBondContact O-CB 3.42Å; G398-S401 PolarHBondContact O-N 3Å; G398-S401 VanDerWaalsContact O-N 3.07Å; G398-S401 PolarHBondContact O-OG 3.3Å; S401-S403 PolarHBondContact O-N 3.48Å | ||
| 402 | D | 54.1 | Low | 64.4 | Low | 101 Ų | 101 | 68.4 Ų | 68.4 | 54% | 0.54 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -62.5 | 2.1 | -179.3 | -76.8 | -12.8 | 0 | 0 | 0 | 115.3 | L400 N472 | L400-D402 VanDerWaalsContact C-N 3.28Å; L400-D402 PolarHBondContact O-N 2.93Å; D402-N472 PolarHBondContact OD1-ND2 3.03Å |
| 403 | S | 53.7 | Low | 63 | Low | 43 Ų | 43 | 66.5 Ų | 66.5 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -92.2 | 7.6 | -167.7 | 60.1 | 0 | 0 | 0 | 0 | 116.6 | S401 K405 T406 | S401-S403 PolarHBondContact O-N 3.48Å; S403-K405 PolarHBondContact O-N 3.33Å; S403-T406 WeakPolarHBondContact O-CG2 3.46Å; S403-T406 PolarHBondContact O-N 2.89Å; S403-T406 VanDerWaalsContact O-N 3.13Å; S403-T406 PolarHBondContact O-OG1 3.33Å; S403-T406 VanDerWaalsContact O-OG1 3.07Å |
| 404 | L | 57.5 | Low | 61.7 | Low | 32 Ų | 32 | 67.1 Ų | 67.1 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -57.2 | -18.7 | 174.7 | -76.8 | 169.8 | 0 | 0 | 0 | 113.4 | T406 N476 I507 | L404-T406 VanDerWaalsContact C-N 3.3Å; L404-T406 PolarHBondContact O-N 2.91Å; L404-N476 HydrophobicContact CB-CB 3.9Å; L404-N476 HydrophobicContact CD1-CB 4.11Å; L404-I507 HydrophobicContact CD2-CG2 3.54Å |
| 405 | K | 54 | Low | 60.3 | Low | 153 Ų | 153 | 67.5 Ų | 67.5 | 67% | 0.665 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -83 | 9.9 | 177.8 | -76.4 | -176.3 | 168.6 | 146.5 | 0 | 115.5 | S403 T407 N476 | S403-K405 PolarHBondContact O-N 3.33Å; K405-T407 PolarHBondContact O-N 2.76Å; K405-N476 WeakPolarHBondContact CE-OD1 3.2Å; K405-N476 PolarHBondContact NZ-OD1 3.41Å |
| 406 | T | 48.5 | Very low | 59.2 | Low | 67 Ų | 67 | 65 Ų | 65 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | trans | -70.2 | 99 | 179.2 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | S403 L404 N408 I417 | S403-T406 WeakPolarHBondContact O-CG2 3.46Å; S403-T406 PolarHBondContact O-N 2.89Å; S403-T406 VanDerWaalsContact O-N 3.13Å; S403-T406 PolarHBondContact O-OG1 3.33Å; S403-T406 VanDerWaalsContact O-OG1 3.07Å; L404-T406 VanDerWaalsContact C-N 3.3Å; L404-T406 PolarHBondContact O-N 2.91Å; T406-N408 PolarHBondContact O-N 3.13Å; T406-I417 WeakPolarHBondContact OG1-CD1 3.44Å | ||
| 407 | T | 46 | Very low | 58.6 | Low | 134 Ų | 134 | 59.9 Ų | 59.9 | 82% | 0.822 | 32% | 0.321 | S | S | * | . | trans | -68.7 | 14.1 | 171.8 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | K405 | K405-T407 PolarHBondContact O-N 2.76Š| ||
| 408 | N | 45.4 | Very low | 58.1 | Low | 94 Ų | 94 | 59.9 Ų | 59.9 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | trans | -83.8 | 123.5 | -179.2 | -85.9 | -4 | 0 | 0 | 0 | 109.3 | T406 C410 | T406-N408 PolarHBondContact O-N 3.13Å; N408-C410 HydrophobicContact CB-CB 4.36Å; N408-C410 PolarHBondContact O-N 3.3Å | ||
| 409 | D | 47.1 | Very low | 57.9 | Low | 128 Ų | 128 | 59.8 Ų | 59.8 | 68% | 0.684 | 32% | 0.32 | S | S | * | . | trans | -61.8 | 5.7 | 171.1 | -72.5 | -33.6 | 0 | 0 | 0 | 113.8 | Y411 | D409-Y411 PolarHBondContact O-N 3.29Å; D409-Y411 VanDerWaalsContact O-N 3.12Å | ||
| 410 | C | 50.4 | Low | 58.5 | Low | 13 Ų | 13 | 56.6 Ų | 56.6 | 9% | 0.088 | 30% | 0.302 | C | S | . | . | trans | -75.7 | 103.9 | -178 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | L39 N408 W412 D413 | L39-C410 PolarHBondContact O-SG 3.07Å; N408-C410 HydrophobicContact CB-CB 4.36Å; N408-C410 PolarHBondContact O-N 3.3Å; C410-W412 PolarHBondContact O-N 3.04Å; C410-D413 PolarHBondContact O-N 3.27Å | ||
| 411 | Y | 52.8 | Low | 59.5 | Low | 73 Ų | 73 | 51.4 Ų | 51.4 | 29% | 0.286 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -50.3 | -26.1 | 173.6 | -177.9 | -92.9 | 0 | 0 | 0 | 113.9 | Y88 D409 R414 L415 | Y88-Y411 HydrophobicContact CE1-CD1 4.3Å; Y88-Y411 AromaticContact CE1-CE1 3.67Å; Y88-Y411 HydrophobicContact CE1-CE1 3.67Å; Y88-Y411 HydrophobicContact CE2-CE1 4.16Å; Y88-Y411 AromaticContact CZ-CE1 3.31Å; Y88-Y411 AromaticContact CZ-CZ 3.82Å; Y88-Y411 WeakPolarHBondContact OH-CE1 3.47Å; Y88-Y411 PolarHBondContact OH-OH 2.83Å; D409-Y411 PolarHBondContact O-N 3.29Å; D409-Y411 VanDerWaalsContact O-N 3.12Å; Y411-R414 WeakPolarHBondContact O-CB 3.35Å; Y411-L415 HydrophobicContact CD1-CD1 3.91Å; Y411-L415 HydrophobicContact CE1-CD1 3.43Å; Y411-L415 VanDerWaalsContact CE1-CD1 3.43Å; Y411-L415 HydrophobicContact CE1-CG 4.46Å |
| 412 | W | 52.6 | Low | 60.6 | Low | 30 Ų | 30 | 52 Ų | 52 | 11% | 0.114 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -77 | -34.9 | -178 | -54.5 | 112.8 | 0 | 0 | 0 | 114.4 | L39 Q84 Y88 C410 R414 L415 S416 | L39-W412 HydrophobicContact CD1-CZ2 4.06Å; Q84-W412 HydrophobicContact CB-CH2 3.51Å; Q84-W412 HydrophobicContact CB-CZ2 4.39Å; Q84-W412 HydrophobicContact CB-CZ3 3.88Å; Q84-W412 HydrophobicContact CG-CE3 3.97Å; Q84-W412 HydrophobicContact CG-CH2 3.41Å; Q84-W412 VanDerWaalsContact CG-CH2 3.41Å; Q84-W412 HydrophobicContact CG-CZ2 4.42Å; Q84-W412 HydrophobicContact CG-CZ3 3.2Å; Q84-W412 VanDerWaalsContact NE2-CZ3 3.28Å; Y88-W412 AromaticContact CD2-CH2 3.34Å; Y88-W412 HydrophobicContact CD2-CH2 3.34Å; Y88-W412 HydrophobicContact CD2-CZ2 4.31Å; Y88-W412 AromaticContact CD2-CZ3 3.97Å; Y88-W412 HydrophobicContact CD2-CZ3 3.97Å; Y88-W412 AromaticContact CE2-CH2 3.51Å; Y88-W412 HydrophobicContact CE2-CH2 3.51Å; Y88-W412 AromaticContact CE2-CZ3 3.63Å; Y88-W412 HydrophobicContact CE2-CZ3 3.63Å; Y88-W412 AromaticContact CG-CH2 4Å; Y88-W412 HydrophobicContact CG-CH2 4Å; C410-W412 PolarHBondContact O-N 3.04Å; W412-R414 PolarHBondContact O-N 3.44Å; W412-L415 HydrophobicContact CE3-CD1 3.57Å; W412-L415 HydrophobicContact CZ3-CD1 3.73Å; W412-L415 PolarHBondContact O-N 3.32Å; W412-S416 PolarHBondContact O-N 2.99Å |
| 413 | D | 61.4 | Low | 61.9 | Low | 49 Ų | 49 | 47.4 Ų | 47.4 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 175.9 | -68.3 | -24.1 | 0 | 0 | 0 | 109.6 | C410 S416 I417 | C410-D413 PolarHBondContact O-N 3.27Å; D413-S416 WeakPolarHBondContact O-CB 3.42Å; D413-S416 PolarHBondContact O-N 3.17Å; D413-I417 VanDerWaalsContact O-CG1 3.28Å; D413-I417 WeakPolarHBondContact O-CG1 3.42Å; D413-I417 PolarHBondContact O-N 3.02Å |
| 414 | R | 63.4 | Low | 63.5 | Low | 19 Ų | 19 | 45.4 Ų | 45.4 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.8 | -61.9 | -178.1 | -166.5 | -154.3 | -12.1 | 113.3 | Y411 W412 S416 I417 S418 S503 D504 I507 | Y411-R414 WeakPolarHBondContact O-CB 3.35Å; W412-R414 PolarHBondContact O-N 3.44Å; R414-S416 VanDerWaalsContact C-N 3.33Å; R414-S416 PolarHBondContact O-N 2.95Å; R414-I417 PolarHBondContact O-N 3.45Å; R414-S418 WeakPolarHBondContact O-CB 3.48Å; R414-S418 PolarHBondContact O-N 2.91Å; R414-S418 PolarHBondContact O-OG 2.64Å; R414-S418 VanDerWaalsContact O-OG 3.09Å; R414-S503 VanDerWaalsContact CD-OG 3.22Å; R414-S503 WeakPolarHBondContact CD-OG 3.39Å; R414-S503 PolarHBondContact NH1-OG 3.25Å; R414-D504 IonicContact CZ-OD1 3.7Å; R414-D504 IonicContact CZ-OD2 3.04Å; R414-D504 IonicContact NE-OD1 3.06Å; R414-D504 PolarHBondContact NE-OD1 3.29Å; R414-D504 IonicContact NH1-OD1 3.09Å; R414-D504 PolarHBondContact NH1-OD1 3.09Å; R414-D504 IonicContact NH1-OD2 2.89Å; R414-D504 PolarHBondContact NH1-OD2 2.92Å; R414-D504 VanDerWaalsContact NH2-CG 3.3Å; R414-D504 IonicContact NH2-OD1 3.42Å; R414-D504 PolarHBondContact NH2-OD1 3.44Å; R414-D504 IonicContact NH2-OD2 2.98Å; R414-D504 PolarHBondContact NH2-OD2 3.42Å; R414-I507 HydrophobicContact CB-CD1 3.5Å; R414-I507 VanDerWaalsContact CB-CD1 3.5Å; R414-I507 HydrophobicContact CG-CD1 3.83Å |
| 415 | L | 62.8 | Low | 64.9 | Low | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 174.7 | -93.4 | 141.6 | 0 | 0 | 0 | 111.8 | Y411 W412 S418 G419 L668 | Y411-L415 HydrophobicContact CD1-CD1 3.91Å; Y411-L415 HydrophobicContact CE1-CD1 3.43Å; Y411-L415 VanDerWaalsContact CE1-CD1 3.43Å; Y411-L415 HydrophobicContact CE1-CG 4.46Å; W412-L415 HydrophobicContact CE3-CD1 3.57Å; W412-L415 HydrophobicContact CZ3-CD1 3.73Å; W412-L415 PolarHBondContact O-N 3.32Å; L415-S418 WeakPolarHBondContact CA-OG 3.41Å; L415-S418 PolarHBondContact O-OG 2.69Å; L415-G419 PolarHBondContact O-N 3.21Å; L415-G419 VanDerWaalsContact O-N 3.12Å; L415-L668 HydrophobicContact CB-CD2 4.33Å; L415-L668 HydrophobicContact CD2-CD2 3.33Å; L415-L668 HydrophobicContact CG-CD2 3.61Å |
| 416 | S | 66.7 | Low | 66.4 | Low | 58 Ų | 58 | 38.1 Ų | 38.1 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.3 | -47.8 | 177.1 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | W412 D413 R414 S418 G419 H420 | W412-S416 PolarHBondContact O-N 2.99Å; D413-S416 WeakPolarHBondContact O-CB 3.42Å; D413-S416 PolarHBondContact O-N 3.17Å; R414-S416 VanDerWaalsContact C-N 3.33Å; R414-S416 PolarHBondContact O-N 2.95Å; S416-S418 VanDerWaalsContact C-N 3.32Å; S416-S418 PolarHBondContact O-N 2.98Å; S416-G419 PolarHBondContact O-N 2.76Å; S416-H420 PolarHBondContact O-N 3.12Å; S416-H420 VanDerWaalsContact O-N 3.08Å; S416-H420 PolarHBondContact O-ND1 3.22Å |
| 417 | I | 73 | Confident | 68.5 | Low | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 179.9 | -67.6 | 164.8 | 0 | 0 | 0 | 110.5 | T406 D413 R414 G419 H420 I421 I507 | T406-I417 WeakPolarHBondContact OG1-CD1 3.44Å; D413-I417 VanDerWaalsContact O-CG1 3.28Å; D413-I417 WeakPolarHBondContact O-CG1 3.42Å; D413-I417 PolarHBondContact O-N 3.02Å; R414-I417 PolarHBondContact O-N 3.45Å; I417-G419 VanDerWaalsContact C-N 3.34Å; I417-G419 PolarHBondContact O-N 3.23Å; I417-H420 PolarHBondContact O-N 3.49Å; I417-I421 HydrophobicContact CG2-CD1 3.83Å; I417-I421 HydrophobicContact CG2-CG1 4.41Å; I417-I421 WeakPolarHBondContact O-CG1 3.37Å; I417-I421 PolarHBondContact O-N 3.29Å; I417-I507 HydrophobicContact CG2-CG2 4.13Å |
| 418 | S | 72.4 | Confident | 70.6 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -36.2 | 179.9 | 62.2 | 0 | 0 | 0 | 0 | 114 | R414 L415 S416 I421 F422 L510 L668 | R414-S418 WeakPolarHBondContact O-CB 3.48Å; R414-S418 PolarHBondContact O-N 2.91Å; R414-S418 PolarHBondContact O-OG 2.64Å; R414-S418 VanDerWaalsContact O-OG 3.09Å; L415-S418 WeakPolarHBondContact CA-OG 3.41Å; L415-S418 PolarHBondContact O-OG 2.69Å; S416-S418 VanDerWaalsContact C-N 3.32Å; S416-S418 PolarHBondContact O-N 2.98Å; S418-I421 PolarHBondContact O-N 3.44Å; S418-F422 WeakPolarHBondContact O-CB 3.39Å; S418-F422 PolarHBondContact O-N 3.36Å; S418-L510 WeakPolarHBondContact O-CD2 3.49Å; S418-L668 WeakPolarHBondContact OG-CD1 3.42Å; S418-L668 VanDerWaalsContact OG-CD2 3.28Å; S418-L668 WeakPolarHBondContact OG-CD2 3.36Å |
| 419 | G | 71.8 | Confident | 72.7 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L415 S416 I417 F422 R423 | L415-G419 PolarHBondContact O-N 3.21Å; L415-G419 VanDerWaalsContact O-N 3.12Å; S416-G419 PolarHBondContact O-N 2.76Å; I417-G419 VanDerWaalsContact C-N 3.34Å; I417-G419 PolarHBondContact O-N 3.23Å; G419-F422 PolarHBondContact O-N 3.43Å; G419-R423 WeakPolarHBondContact O-CB 3.46Å; G419-R423 PolarHBondContact O-N 3.34Å |
| 420 | H | 79 | Confident | 74.7 | Confident | 40 Ų | 40 | 21.2 Ų | 21.2 | 19% | 0.185 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 176.2 | -72.2 | 47.6 | 0 | 0 | 0 | 111.5 | D354 S416 I417 F422 R423 I424 | D354-H420 VanDerWaalsContact CG-ND1 3.3Å; D354-H420 IonicContact OD1-CE1 2.58Å; D354-H420 PolarHBondContact OD1-CE1 2.82Å; D354-H420 IonicContact OD1-CG 2.89Å; D354-H420 IonicContact OD1-ND1 3.69Å; D354-H420 PolarHBondContact OD1-ND1 2.85Å; D354-H420 IonicContact OD2-CE1 2.73Å; D354-H420 PolarHBondContact OD2-CE1 3.4Å; D354-H420 IonicContact OD2-CG 3.99Å; D354-H420 PolarHBondContact OD2-N 3.09Å; D354-H420 IonicContact OD2-ND1 3.71Å; D354-H420 PolarHBondContact OD2-ND1 3Å; S416-H420 PolarHBondContact O-N 3.12Å; S416-H420 VanDerWaalsContact O-N 3.08Å; S416-H420 PolarHBondContact O-ND1 3.22Å; I417-H420 PolarHBondContact O-N 3.49Å; H420-F422 VanDerWaalsContact C-N 3.32Å; H420-F422 PolarHBondContact O-N 3.45Å; H420-R423 WeakPolarHBondContact O-CB 3.36Å; H420-R423 PolarHBondContact O-N 2.89Å; H420-I424 WeakPolarHBondContact O-CG1 3.29Å; H420-I424 PolarHBondContact O-N 3.21Å |
| 421 | I | 80.9 | Confident | 76.7 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.015 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 178.6 | -62.4 | 170.2 | 0 | 0 | 0 | 110.6 | I417 S418 R423 I424 Q425 I507 L510 L514 | I417-I421 HydrophobicContact CG2-CD1 3.83Å; I417-I421 HydrophobicContact CG2-CG1 4.41Å; I417-I421 WeakPolarHBondContact O-CG1 3.37Å; I417-I421 PolarHBondContact O-N 3.29Å; S418-I421 PolarHBondContact O-N 3.44Å; I421-R423 VanDerWaalsContact C-N 3.32Å; I421-R423 PolarHBondContact O-N 3.05Å; I421-I424 WeakPolarHBondContact O-CB 3.44Å; I421-I424 PolarHBondContact O-N 3.45Å; I421-Q425 PolarHBondContact O-N 3.08Å; I421-I507 HydrophobicContact CD1-CG2 4.27Å; I421-L510 HydrophobicContact CB-CD2 3.82Å; I421-L510 HydrophobicContact CB-CG 4.04Å; I421-L510 HydrophobicContact CD1-CD2 4.46Å; I421-L510 HydrophobicContact CG2-CD1 4.3Å; I421-L510 HydrophobicContact CG2-CD2 3.95Å; I421-L510 HydrophobicContact CG2-CG 3.56Å; I421-L514 HydrophobicContact CG2-CB 3.91Å; I421-L514 HydrophobicContact CG2-CD2 3.77Å; I421-L514 HydrophobicContact CG2-CG 4.39Å |
| 422 | F | 78.8 | Confident | 78.4 | Confident | 24 Ų | 24 | 17.4 Ų | 17.4 | 11% | 0.105 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 176.9 | -177.4 | -102.1 | 0 | 0 | 0 | 112.3 | S418 G419 H420 I424 Q425 L426 F674 | S418-F422 WeakPolarHBondContact O-CB 3.39Å; S418-F422 PolarHBondContact O-N 3.36Å; G419-F422 PolarHBondContact O-N 3.43Å; H420-F422 VanDerWaalsContact C-N 3.32Å; H420-F422 PolarHBondContact O-N 3.45Å; F422-I424 VanDerWaalsContact C-N 3.33Å; F422-I424 PolarHBondContact O-N 3.04Å; F422-Q425 WeakPolarHBondContact O-CB 3.43Å; F422-Q425 PolarHBondContact O-N 3.48Å; F422-Q425 VanDerWaalsContact O-N 3.14Å; F422-L426 HydrophobicContact CD1-CD1 3.99Å; F422-L426 HydrophobicContact CD1-CG 4.22Å; F422-L426 HydrophobicContact CE1-CD1 3.55Å; F422-L426 HydrophobicContact CE1-CD2 4.17Å; F422-L426 HydrophobicContact CE1-CG 3.85Å; F422-L426 HydrophobicContact CZ-CD1 4.28Å; F422-L426 HydrophobicContact CZ-CD2 4.07Å; F422-L426 HydrophobicContact CZ-CG 4.2Å; F422-L426 PolarHBondContact O-N 2.87Å; F422-F674 AromaticContact CD1-CD2 3.94Å; F422-F674 HydrophobicContact CD1-CD2 3.94Å; F422-F674 HydrophobicContact CD1-CE2 4.26Å; F422-F674 HydrophobicContact CE1-CB 4.27Å; F422-F674 AromaticContact CE1-CD2 3.31Å; F422-F674 HydrophobicContact CE1-CD2 3.31Å; F422-F674 AromaticContact CE1-CE2 3.98Å; F422-F674 HydrophobicContact CE1-CE2 3.98Å; F422-F674 AromaticContact CE1-CG 3.79Å; F422-F674 HydrophobicContact CE1-CG 3.79Å; F422-F674 HydrophobicContact CZ-CB 4.28Å; F422-F674 HydrophobicContact CZ-CD2 4.1Å; F422-F674 HydrophobicContact CZ-CG 4.3Å |
| 423 | R | 82 | Confident | 79.9 | Confident | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.019 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64 | -37.5 | 177.5 | -158.7 | 171.2 | 100.7 | -163.8 | 24.5 | 112.7 | A349 G351 D354 L361 I397 G419 H420 I421 L426 L427 | A349-R423 VanDerWaalsContact O-CZ 3.22Å; A349-R423 PolarHBondContact O-NE 3.39Å; A349-R423 PolarHBondContact O-NH2 3.16Å; G351-R423 VanDerWaalsContact O-CZ 3.3Å; G351-R423 PolarHBondContact O-NH1 3.31Å; G351-R423 PolarHBondContact O-NH2 3.15Å; D354-R423 IonicContact OD1-CZ 2.75Å; D354-R423 IonicContact OD1-NH1 3.41Å; D354-R423 PolarHBondContact OD1-NH1 3.12Å; L361-R423 HydrophobicContact CD1-CG 3.75Å; I397-R423 VanDerWaalsContact CD1-NE 3.27Å; G419-R423 WeakPolarHBondContact O-CB 3.46Å; G419-R423 PolarHBondContact O-N 3.34Å; H420-R423 WeakPolarHBondContact O-CB 3.36Å; H420-R423 PolarHBondContact O-N 2.89Å; I421-R423 VanDerWaalsContact C-N 3.32Å; I421-R423 PolarHBondContact O-N 3.05Å; R423-L426 PolarHBondContact O-N 3.28Å; R423-L427 PolarHBondContact O-N 3.31Å; R423-L427 VanDerWaalsContact O-N 3.09Å |
| 424 | I | 88 | Confident | 81.2 | Confident | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 172.6 | -63.1 | 168.7 | 0 | 0 | 0 | 110.2 | L394 I397 H420 I421 F422 L426 L427 I428 L469 L514 | L394-I424 HydrophobicContact CD1-CG2 3.7Å; I397-I424 HydrophobicContact CG2-CD1 4.4Å; I397-I424 HydrophobicContact CG2-CG1 3.84Å; H420-I424 WeakPolarHBondContact O-CG1 3.29Å; H420-I424 PolarHBondContact O-N 3.21Å; I421-I424 WeakPolarHBondContact O-CB 3.44Å; I421-I424 PolarHBondContact O-N 3.45Å; F422-I424 VanDerWaalsContact C-N 3.33Å; F422-I424 PolarHBondContact O-N 3.04Å; I424-L426 VanDerWaalsContact C-N 3.34Å; I424-L426 PolarHBondContact O-N 3Å; I424-L427 PolarHBondContact O-N 2.9Å; I424-I428 HydrophobicContact CG2-CD1 4.09Å; I424-I428 WeakPolarHBondContact O-CG1 3.41Å; I424-I428 PolarHBondContact O-N 3.38Å; I424-L469 HydrophobicContact CG2-CD2 3.86Å; I424-L514 HydrophobicContact CB-CD1 4.23Å; I424-L514 HydrophobicContact CB-CD2 4.42Å; I424-L514 HydrophobicContact CG2-CD1 3.56Å; I424-L514 HydrophobicContact CG2-CD2 4.02Å; I424-L514 HydrophobicContact CG2-CG 4.46Å |
| 425 | Q | 86.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 174.2 | -67.8 | -176.5 | -51 | 0 | 0 | 111.8 | I421 F422 L427 I428 R429 L510 L514 | I421-Q425 PolarHBondContact O-N 3.08Å; F422-Q425 WeakPolarHBondContact O-CB 3.43Å; F422-Q425 PolarHBondContact O-N 3.48Å; F422-Q425 VanDerWaalsContact O-N 3.14Å; Q425-L427 PolarHBondContact O-N 3.16Å; Q425-I428 WeakPolarHBondContact O-CB 3.44Å; Q425-I428 PolarHBondContact O-N 2.95Å; Q425-R429 VanDerWaalsContact O-CG 3.25Å; Q425-R429 WeakPolarHBondContact O-CG 3.46Å; Q425-R429 PolarHBondContact O-N 2.7Å; Q425-L510 VanDerWaalsContact OE1-CD1 3.23Å; Q425-L514 HydrophobicContact CG-CB 4.1Å; Q425-L514 HydrophobicContact CG-CD1 3.79Å |
| 426 | L | 86 | Confident | 83.1 | Confident | 32 Ų | 32 | 16.8 Ų | 16.8 | 17% | 0.168 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.7 | -70.4 | -178.8 | 0 | 0 | 0 | 112.7 | L361 F422 R423 I424 R429 H430 | L361-L426 HydrophobicContact CB-CB 4.28Å; L361-L426 HydrophobicContact CB-CD1 4.39Å; L361-L426 HydrophobicContact CD1-CB 3.79Å; L361-L426 HydrophobicContact CD1-CD1 4.4Å; F422-L426 HydrophobicContact CD1-CD1 3.99Å; F422-L426 HydrophobicContact CD1-CG 4.22Å; F422-L426 HydrophobicContact CE1-CD1 3.55Å; F422-L426 HydrophobicContact CE1-CD2 4.17Å; F422-L426 HydrophobicContact CE1-CG 3.85Å; F422-L426 HydrophobicContact CZ-CD1 4.28Å; F422-L426 HydrophobicContact CZ-CD2 4.07Å; F422-L426 HydrophobicContact CZ-CG 4.2Å; F422-L426 PolarHBondContact O-N 2.87Å; R423-L426 PolarHBondContact O-N 3.28Å; I424-L426 VanDerWaalsContact C-N 3.34Å; I424-L426 PolarHBondContact O-N 3Å; L426-R429 PolarHBondContact O-N 3.05Å; L426-H430 WeakPolarHBondContact O-CB 3.12Å; L426-H430 PolarHBondContact O-N 3.37Å |
| 427 | L | 91 | Very high | 83.5 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 173.7 | -77.3 | 160.3 | 0 | 0 | 0 | 112.2 | L361 T390 A393 L394 I397 R423 I424 Q425 R429 H430 L431 | L361-L427 HydrophobicContact CD1-CD2 4.27Å; L361-L427 HydrophobicContact CD1-CG 3.84Å; L361-L427 HydrophobicContact CD2-CD2 3.44Å; L361-L427 VanDerWaalsContact CD2-CD2 3.44Å; L361-L427 HydrophobicContact CD2-CG 3.93Å; T390-L427 HydrophobicContact CG2-CD2 3.77Å; A393-L427 HydrophobicContact CB-CD2 3.9Å; L394-L427 HydrophobicContact CB-CB 4.34Å; L394-L427 HydrophobicContact CB-CD1 4.22Å; L394-L427 HydrophobicContact CD1-CB 3.98Å; L394-L427 HydrophobicContact CD1-CD1 4.22Å; I397-L427 HydrophobicContact CD1-CD1 3.44Å; I397-L427 VanDerWaalsContact CD1-CD1 3.44Å; R423-L427 PolarHBondContact O-N 3.31Å; R423-L427 VanDerWaalsContact O-N 3.09Å; I424-L427 PolarHBondContact O-N 2.9Å; Q425-L427 PolarHBondContact O-N 3.16Å; L427-R429 VanDerWaalsContact C-N 3.32Å; L427-R429 PolarHBondContact O-N 3.16Å; L427-H430 PolarHBondContact O-N 3.11Å; L427-L431 WeakPolarHBondContact O-CG 3.5Å; L427-L431 PolarHBondContact O-N 3.35Å |
| 428 | I | 91.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.1 | -74.3 | 168.7 | 0 | 0 | 0 | 110.2 | L394 I424 Q425 L431 K432 L466 L469 L514 E517 S518 L521 | L394-I428 HydrophobicContact CD1-CG1 4.31Å; L394-I428 HydrophobicContact CD2-CG1 4.49Å; I424-I428 HydrophobicContact CG2-CD1 4.09Å; I424-I428 WeakPolarHBondContact O-CG1 3.41Å; I424-I428 PolarHBondContact O-N 3.38Å; Q425-I428 WeakPolarHBondContact O-CB 3.44Å; Q425-I428 PolarHBondContact O-N 2.95Å; I428-L431 WeakPolarHBondContact O-CB 3.43Å; I428-L431 PolarHBondContact O-N 3.19Å; I428-K432 WeakPolarHBondContact O-CG 3.48Å; I428-K432 PolarHBondContact O-N 3.19Å; I428-L466 HydrophobicContact CD1-CD2 4.31Å; I428-L466 HydrophobicContact CG1-CD2 4.33Å; I428-L469 HydrophobicContact CD1-CD2 4.37Å; I428-L514 HydrophobicContact CD1-CD1 3.41Å; I428-L514 VanDerWaalsContact CD1-CD1 3.41Å; I428-E517 HydrophobicContact CG2-CB 4.19Å; I428-S518 VanDerWaalsContact CD1-OG 3.27Å; I428-S518 WeakPolarHBondContact CD1-OG 3.45Å; I428-L521 HydrophobicContact CB-CD2 4.35Å; I428-L521 HydrophobicContact CG1-CD2 4.27Å; I428-L521 HydrophobicContact CG2-CB 4.06Å; I428-L521 HydrophobicContact CG2-CD2 3.97Å |
| 429 | R | 88.4 | Confident | 83.1 | Confident | 65 Ų | 65 | 17.4 Ų | 17.4 | 25% | 0.245 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 178.1 | -68.2 | 172.4 | -170.9 | 172.8 | 2.7 | 112.1 | Q425 L426 L427 L431 K432 H433 E517 Q609 | Q425-R429 VanDerWaalsContact O-CG 3.25Å; Q425-R429 WeakPolarHBondContact O-CG 3.46Å; Q425-R429 PolarHBondContact O-N 2.7Å; L426-R429 PolarHBondContact O-N 3.05Å; L427-R429 VanDerWaalsContact C-N 3.32Å; L427-R429 PolarHBondContact O-N 3.16Å; R429-L431 VanDerWaalsContact C-N 3.34Å; R429-L431 PolarHBondContact O-N 3.31Å; R429-K432 WeakPolarHBondContact O-CB 3.38Å; R429-K432 PolarHBondContact O-N 3.09Å; R429-H433 PolarHBondContact O-N 2.96Å; R429-E517 IonicContact CZ-OE1 3.83Å; R429-E517 IonicContact CZ-OE2 3.35Å; R429-E517 IonicContact NE-OE1 2.82Å; R429-E517 IonicContact NE-OE2 2.95Å; R429-E517 PolarHBondContact NE-OE2 3.21Å; R429-E517 IonicContact NH2-OE1 2.76Å; R429-E517 PolarHBondContact NH2-OE1 3.38Å; R429-E517 IonicContact NH2-OE2 2.75Å; R429-E517 PolarHBondContact NH2-OE2 3.04Å; R429-Q609 HydrophobicContact CG-CG 4.05Å |
| 430 | H | 89.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.8 | -169.4 | 59.2 | 0 | 0 | 0 | 111.4 | L364 D365 T390 L426 L427 K432 H433 L434 | L364-H430 PolarHBondContact O-CE1 3.37Å; D365-H430 IonicContact OD1-ND1 3.98Å; D365-H430 PolarHBondContact OD1-ND1 3.06Å; T390-H430 HydrophobicContact CG2-CB 4.46Å; T390-H430 PolarHBondContact OG1-CD2 3.41Å; L426-H430 WeakPolarHBondContact O-CB 3.12Å; L426-H430 PolarHBondContact O-N 3.37Å; L427-H430 PolarHBondContact O-N 3.11Å; H430-K432 VanDerWaalsContact C-N 3.34Å; H430-K432 PolarHBondContact O-N 2.85Å; H430-H433 WeakPolarHBondContact O-CB 3.43Å; H430-H433 PolarHBondContact O-N 2.9Å; H430-L434 WeakPolarHBondContact O-CG 2.99Å; H430-L434 PolarHBondContact O-N 3.21Å |
| 431 | L | 92.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 172.9 | -73.1 | 170 | 0 | 0 | 0 | 112.4 | F387 T390 V391 L394 L427 I428 R429 H433 L434 L435 L462 L521 | F387-L431 HydrophobicContact CD2-CD2 3.96Å; F387-L431 HydrophobicContact CE2-CD2 3.88Å; F387-L431 HydrophobicContact CZ-CD2 4.38Å; T390-L431 HydrophobicContact CG2-CD1 4.3Å; T390-L431 HydrophobicContact CG2-CD2 3.62Å; T390-L431 HydrophobicContact CG2-CG 3.55Å; V391-L431 HydrophobicContact CG2-CD1 4.45Å; V391-L431 HydrophobicContact CG2-CD2 3.9Å; L394-L431 HydrophobicContact CD2-CD1 3.75Å; L427-L431 WeakPolarHBondContact O-CG 3.5Å; L427-L431 PolarHBondContact O-N 3.35Å; I428-L431 WeakPolarHBondContact O-CB 3.43Å; I428-L431 PolarHBondContact O-N 3.19Å; R429-L431 VanDerWaalsContact C-N 3.34Å; R429-L431 PolarHBondContact O-N 3.31Å; L431-H433 VanDerWaalsContact C-N 3.34Å; L431-H433 PolarHBondContact O-N 2.81Å; L431-L434 PolarHBondContact O-N 3.44Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.21Å; L431-L435 PolarHBondContact O-N 2.93Å; L431-L462 HydrophobicContact CD1-CD1 3.8Å; L431-L462 HydrophobicContact CD1-CD2 4.14Å; L431-L521 HydrophobicContact CB-CD1 4.08Å; L431-L521 HydrophobicContact CB-CD2 3.92Å; L431-L521 HydrophobicContact CD1-CD2 3.87Å |
| 432 | K | 88.8 | Confident | 79.1 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 174.8 | -66.6 | -179.1 | -177.5 | -178.6 | 0 | 112 | I428 R429 H430 L435 N436 E517 L521 Q524 D613 | I428-K432 WeakPolarHBondContact O-CG 3.48Å; I428-K432 PolarHBondContact O-N 3.19Å; R429-K432 WeakPolarHBondContact O-CB 3.38Å; R429-K432 PolarHBondContact O-N 3.09Å; H430-K432 VanDerWaalsContact C-N 3.34Å; H430-K432 PolarHBondContact O-N 2.85Å; K432-L435 PolarHBondContact O-N 3.49Å; K432-N436 VanDerWaalsContact O-CG 3.27Å; K432-N436 PolarHBondContact O-N 3.32Å; K432-N436 PolarHBondContact O-ND2 2.89Å; K432-E517 WeakPolarHBondContact CE-O 3.49Å; K432-E517 PolarHBondContact NZ-O 3.36Å; K432-L521 HydrophobicContact CG-CB 4.3Å; K432-L521 HydrophobicContact CG-CD1 3.69Å; K432-Q524 VanDerWaalsContact CG-OE1 3.22Å; K432-D613 IonicContact NZ-OD1 3.38Å; K432-D613 PolarHBondContact NZ-OD1 3.28Å; K432-D613 IonicContact NZ-OD2 3.08Å; K432-D613 PolarHBondContact NZ-OD2 3.08Å |
| 433 | H | 85.3 | Confident | 77.6 | Confident | 42 Ų | 42 | 31.6 Ų | 31.6 | 19% | 0.194 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -48.4 | 176.5 | -166 | 168.1 | 0 | 0 | 0 | 110.6 | D365 R429 H430 L431 L435 N436 L437 | D365-H433 IonicContact OD1-CE1 2.99Å; D365-H433 IonicContact OD1-CG 3.33Å; D365-H433 IonicContact OD1-ND1 2.9Å; D365-H433 PolarHBondContact OD1-ND1 3.42Å; D365-H433 IonicContact OD2-CE1 3.83Å; D365-H433 IonicContact OD2-ND1 2.93Å; D365-H433 PolarHBondContact OD2-ND1 3.12Å; R429-H433 PolarHBondContact O-N 2.96Å; H430-H433 WeakPolarHBondContact O-CB 3.43Å; H430-H433 PolarHBondContact O-N 2.9Å; L431-H433 VanDerWaalsContact C-N 3.34Å; L431-H433 PolarHBondContact O-N 2.81Å; H433-L435 VanDerWaalsContact C-N 3.33Å; H433-L435 PolarHBondContact O-N 2.81Å; H433-N436 PolarHBondContact O-N 2.96Å; H433-L437 WeakPolarHBondContact O-CG 3.45Å; H433-L437 PolarHBondContact O-N 3.43Å; H433-L437 VanDerWaalsContact O-N 3.13Å |
| 434 | L | 87.7 | Confident | 75.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.2 | -42.5 | 175.7 | -67.1 | 175.2 | 0 | 0 | 0 | 112 | V368 L386 F387 H430 L431 N436 L437 F438 | V368-L434 HydrophobicContact CB-CD2 4.49Å; V368-L434 HydrophobicContact CG1-CD2 4.12Å; V368-L434 HydrophobicContact CG2-CD2 4.49Å; L386-L434 HydrophobicContact CB-CD1 4.06Å; L386-L434 HydrophobicContact CB-CD2 4.06Å; L386-L434 HydrophobicContact CD1-CD2 4.29Å; F387-L434 HydrophobicContact CB-CD1 4.49Å; F387-L434 HydrophobicContact CD2-CB 4.35Å; H430-L434 WeakPolarHBondContact O-CG 2.99Å; H430-L434 PolarHBondContact O-N 3.21Å; L431-L434 PolarHBondContact O-N 3.44Å; L434-N436 PolarHBondContact O-N 3.47Å; L434-L437 HydrophobicContact CD2-CD1 4.34Å; L434-L437 WeakPolarHBondContact O-CB 3.46Å; L434-L437 PolarHBondContact O-N 2.9Å; L434-F438 WeakPolarHBondContact O-CD2 2.96Å; L434-F438 WeakPolarHBondContact O-CE2 3.44Å; L434-F438 PolarHBondContact O-N 3.44Å |
| 435 | L | 85.5 | Confident | 73.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.5 | -72.6 | 172.3 | 0 | 0 | 0 | 112.6 | F387 L431 K432 H433 L437 F438 Q439 L521 Q524 L528 | F387-L435 HydrophobicContact CE2-CD2 3.73Å; F387-L435 HydrophobicContact CE2-CG 4.04Å; F387-L435 HydrophobicContact CZ-CD2 4.29Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.21Å; L431-L435 PolarHBondContact O-N 2.93Å; K432-L435 PolarHBondContact O-N 3.49Å; H433-L435 VanDerWaalsContact C-N 3.33Å; H433-L435 PolarHBondContact O-N 2.81Å; L435-L437 VanDerWaalsContact C-N 3.28Å; L435-L437 PolarHBondContact O-N 2.76Å; L435-F438 WeakPolarHBondContact O-CB 3.5Å; L435-F438 PolarHBondContact O-N 2.77Å; L435-F438 VanDerWaalsContact O-N 3.1Å; L435-Q439 PolarHBondContact O-N 2.65Å; L435-L521 HydrophobicContact CD1-CD1 3.41Å; L435-L521 VanDerWaalsContact CD1-CD1 3.41Å; L435-Q524 HydrophobicContact CD1-CB 4.34Å; L435-L528 HydrophobicContact CD2-CD2 3.61Å |
| 436 | N | 80.5 | Confident | 71.2 | Confident | 52 Ų | 52 | 45.3 Ų | 45.3 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.6 | -35 | 177 | -67.5 | -31 | 0 | 0 | 0 | 112.2 | K432 H433 L434 F438 Q439 I440 | K432-N436 VanDerWaalsContact O-CG 3.27Å; K432-N436 PolarHBondContact O-N 3.32Å; K432-N436 PolarHBondContact O-ND2 2.89Å; H433-N436 PolarHBondContact O-N 2.96Å; L434-N436 PolarHBondContact O-N 3.47Å; N436-F438 PolarHBondContact O-N 3.22Å; N436-Q439 PolarHBondContact O-N 2.92Å; N436-Q439 VanDerWaalsContact O-N 3.1Å; N436-I440 WeakPolarHBondContact O-CG1 3.29Å; N436-I440 PolarHBondContact O-N 3.48Å |
| 437 | L | 76.3 | Confident | 69.1 | Low | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -29.2 | 175.6 | -66 | 175.5 | 0 | 0 | 0 | 112.5 | V368 I370 R383 H433 L434 L435 | V368-L437 HydrophobicContact CB-CD1 4.13Å; I370-L437 HydrophobicContact CD1-CD2 3.5Å; I370-L437 HydrophobicContact CG1-CD2 3.95Å; R383-L437 PolarHBondContact NH1-O 2.79Å; H433-L437 WeakPolarHBondContact O-CG 3.45Å; H433-L437 PolarHBondContact O-N 3.43Å; H433-L437 VanDerWaalsContact O-N 3.13Å; L434-L437 HydrophobicContact CD2-CD1 4.34Å; L434-L437 WeakPolarHBondContact O-CB 3.46Å; L434-L437 PolarHBondContact O-N 2.9Å; L435-L437 VanDerWaalsContact C-N 3.28Å; L435-L437 PolarHBondContact O-N 2.76Å |
| 438 | F | 72.3 | Confident | 66.8 | Low | 27 Ų | 27 | 53.4 Ų | 53.4 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75.4 | -29.7 | 173.5 | -65.1 | -73.8 | 0 | 0 | 0 | 112.9 | R383 L434 L435 N436 L450 I455 | R383-F438 HydrophobicContact CB-CE1 3.58Å; R383-F438 HydrophobicContact CB-CE2 4.15Å; R383-F438 HydrophobicContact CB-CZ 3.23Å; R383-F438 HydrophobicContact CG-CE1 4.27Å; R383-F438 HydrophobicContact CG-CZ 4.22Å; L434-F438 WeakPolarHBondContact O-CD2 2.96Å; L434-F438 WeakPolarHBondContact O-CE2 3.44Å; L434-F438 PolarHBondContact O-N 3.44Å; L435-F438 WeakPolarHBondContact O-CB 3.5Å; L435-F438 PolarHBondContact O-N 2.77Å; L435-F438 VanDerWaalsContact O-N 3.1Å; N436-F438 PolarHBondContact O-N 3.22Å; F438-L450 HydrophobicContact CD1-CD1 4.36Å; F438-I455 HydrophobicContact CD1-CD1 3.99Å; F438-I455 HydrophobicContact CD2-CD1 4.35Å; F438-I455 HydrophobicContact CE1-CD1 3.22Å; F438-I455 HydrophobicContact CE2-CD1 3.67Å; F438-I455 HydrophobicContact CZ-CD1 3.03Å; F438-I455 HydrophobicContact CZ-CG1 4.12Å |
| 439 | Q | 64.1 | Low | 64.9 | Low | 59 Ų | 59 | 58.8 Ų | 58.8 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -74.3 | -36.1 | -180 | -67.7 | -177.2 | -6.2 | 0 | 0 | 112.9 | L435 N436 D441 S442 L528 | L435-Q439 PolarHBondContact O-N 2.65Å; N436-Q439 PolarHBondContact O-N 2.92Å; N436-Q439 VanDerWaalsContact O-N 3.1Å; Q439-D441 VanDerWaalsContact C-N 3.31Å; Q439-D441 PolarHBondContact O-N 2.68Å; Q439-S442 WeakPolarHBondContact O-CB 3.46Å; Q439-S442 PolarHBondContact O-N 2.71Å; Q439-S442 PolarHBondContact O-OG 3.4Å; Q439-L528 HydrophobicContact CG-CD1 3.83Å |
| 440 | I | 54 | Low | 63.4 | Low | 111 Ų | 111 | 56.5 Ų | 56.5 | 57% | 0.569 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.3 | -34.9 | -176.4 | -66.1 | 167 | 0 | 0 | 0 | 112.2 | N436 S442 S443 | N436-I440 WeakPolarHBondContact O-CG1 3.29Å; N436-I440 PolarHBondContact O-N 3.48Å; I440-S442 VanDerWaalsContact C-N 3.3Å; I440-S442 PolarHBondContact O-N 2.71Å; I440-S443 PolarHBondContact O-OG 2.69Å |
| 441 | D | 48.8 | Very low | 61.6 | Low | 63 Ų | 63 | 58.8 Ų | 58.8 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -82.3 | -4.2 | -178.5 | -75.1 | -10.9 | 0 | 0 | 0 | 114.2 | R383 Q439 S443 S444 S446 | R383-D441 IonicContact CZ-OD2 3.86Å; R383-D441 IonicContact NH1-OD2 3.16Å; R383-D441 PolarHBondContact NH1-OD2 2.89Å; R383-D441 IonicContact NH2-OD2 3.21Å; R383-D441 PolarHBondContact NH2-OD2 3.14Å; Q439-D441 VanDerWaalsContact C-N 3.31Å; Q439-D441 PolarHBondContact O-N 2.68Å; D441-S443 PolarHBondContact O-N 2.9Å; D441-S443 VanDerWaalsContact O-N 3.08Å; D441-S444 PolarHBondContact O-N 3.45Å; D441-S446 PolarHBondContact O-OG 3.4Å |
| 442 | S | 44.9 | Very low | 59.7 | Low | 76 Ų | 76 | 67 Ų | 67 | 53% | 0.531 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -68.2 | -5 | 179.6 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | Q439 I440 S444 | Q439-S442 WeakPolarHBondContact O-CB 3.46Å; Q439-S442 PolarHBondContact O-N 2.71Å; Q439-S442 PolarHBondContact O-OG 3.4Å; I440-S442 VanDerWaalsContact C-N 3.3Å; I440-S442 PolarHBondContact O-N 2.71Å; S442-S444 VanDerWaalsContact C-N 3.35Å |
| 443 | S | 45.8 | Very low | 58.5 | Low | 115 Ų | 115 | 67.1 Ų | 67.1 | 80% | 0.804 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -81.6 | -5 | 176.2 | 60.4 | 0 | 0 | 0 | 0 | 114.8 | I440 D441 | I440-S443 PolarHBondContact O-OG 2.69Å; D441-S443 PolarHBondContact O-N 2.9Å; D441-S443 VanDerWaalsContact O-N 3.08Å |
| 444 | S | 39.5 | Very low | 57.9 | Low | 78 Ų | 78 | 70 Ų | 70 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -139.3 | 106.8 | 177.2 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | D441 S442 S446 | D441-S444 PolarHBondContact O-N 3.45Å; S442-S444 VanDerWaalsContact C-N 3.35Å; S444-S446 VanDerWaalsContact O-CB 3.27Å; S444-S446 WeakPolarHBondContact O-CB 3.47Å; S444-S446 PolarHBondContact O-N 3.01Å; S444-S446 PolarHBondContact O-OG 2.81Å |
| 445 | E | 42.6 | Very low | 57.5 | Low | 192 Ų | 192 | 70 Ų | 70 | 90% | 0.897 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 44.4 | 9.6 | 165.4 | -76.7 | -176.2 | 158.1 | 0 | 0 | 119.6 | ||
| 446 | S | 40.5 | Very low | 57.2 | Low | 25 Ų | 25 | 70.2 Ų | 70.2 | 18% | 0.175 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -103.8 | 8.5 | -163.8 | 63.8 | 0 | 0 | 0 | 0 | 115.2 | D441 S444 L448 N449 | D441-S446 PolarHBondContact O-OG 3.4Å; S444-S446 VanDerWaalsContact O-CB 3.27Å; S444-S446 WeakPolarHBondContact O-CB 3.47Å; S444-S446 PolarHBondContact O-N 3.01Å; S444-S446 PolarHBondContact O-OG 2.81Å; S446-L448 PolarHBondContact O-N 3.36Å; S446-N449 PolarHBondContact O-N 3.09Å |
| 447 | T | 42 | Very low | 57.3 | Low | 99 Ų | 99 | 70.4 Ų | 70.4 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -57.4 | -19.4 | 169.9 | 42 | 0 | 0 | 0 | 0 | 112.5 | ||
| 448 | L | 42.6 | Very low | 57.8 | Low | 102 Ų | 102 | 71.6 Ų | 71.6 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -77.7 | -18.8 | 174.2 | -80 | 152.3 | 0 | 0 | 0 | 114.6 | S446 T451 L556 | S446-L448 PolarHBondContact O-N 3.36Å; L448-T451 PolarHBondContact O-OG1 3.46Å; L448-L556 HydrophobicContact CD2-CD2 4.31Å |
| 449 | N | 52.1 | Low | 58.6 | Low | 114 Ų | 114 | 70.3 Ų | 70.3 | 61% | 0.61 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -24.9 | -173.3 | -75.2 | -7.1 | 0 | 0 | 0 | 113.5 | S446 | S446-N449 PolarHBondContact O-N 3.09Š|
| 450 | L | 56.6 | Low | 59.8 | Low | 17 Ų | 17 | 68.6 Ų | 68.6 | 9% | 0.089 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -35.4 | -179.5 | -147.9 | 82.9 | 0 | 0 | 0 | 111.5 | F438 E452 S453 I455 L456 L528 C532 | F438-L450 HydrophobicContact CD1-CD1 4.36Å; L450-E452 VanDerWaalsContact C-N 3.25Å; L450-E452 PolarHBondContact O-N 2.96Å; L450-S453 PolarHBondContact O-N 3.41Å; L450-S453 VanDerWaalsContact O-N 3.13Å; L450-S453 PolarHBondContact O-OG 3.22Å; L450-I455 HydrophobicContact CD1-CD1 4.38Å; L450-L456 HydrophobicContact CD2-CD2 4.08Å; L450-L456 HydrophobicContact CD2-CG 4.47Å; L450-L456 HydrophobicContact CG-CG 4.4Å; L450-L456 WeakPolarHBondContact O-CD1 3.2Å; L450-L456 WeakPolarHBondContact O-CG 3.43Å; L450-L528 HydrophobicContact CD2-CD2 4.39Å; L450-L528 HydrophobicContact CD2-CG 4.41Å; L450-C532 HydrophobicContact CD2-CB 4.45Å |
| 451 | T | 51.6 | Low | 61.5 | Low | 50 Ų | 50 | 66.2 Ų | 66.2 | 31% | 0.307 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26 | -178.7 | 44.3 | 0 | 0 | 0 | 0 | 113.9 | L448 D559 | L448-T451 PolarHBondContact O-OG1 3.46Å; T451-D559 HydrophobicContact CG2-CB 4.42Å |
| 452 | E | 51.9 | Low | 63.6 | Low | 172 Ų | 172 | 63.2 Ų | 63.2 | 80% | 0.804 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -2.8 | 177 | -64.4 | -173.3 | 168.8 | 0 | 0 | 113.4 | L450 | L450-E452 VanDerWaalsContact C-N 3.25Å; L450-E452 PolarHBondContact O-N 2.96Å |
| 453 | S | 63.8 | Low | 65.9 | Low | 10 Ų | 10 | 59.6 Ų | 59.6 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -85.8 | 143.2 | -173 | 74.1 | 0 | 0 | 0 | 0 | 113.1 | D384 L450 I455 L456 | D384-S453 WeakPolarHBondContact OD2-CB 3.43Å; L450-S453 PolarHBondContact O-N 3.41Å; L450-S453 VanDerWaalsContact O-N 3.13Å; L450-S453 PolarHBondContact O-OG 3.22Å; S453-I455 PolarHBondContact O-N 3.41Å; S453-I455 WeakPolarHBondContact OG-CB 3.23Å; S453-L456 PolarHBondContact O-N 3.17Å |
| 454 | D | 72.5 | Confident | 68 | Low | 102 Ų | 102 | 57 Ų | 57 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58 | -17.4 | 172.3 | -76.5 | -34.7 | 0 | 0 | 0 | 112.3 | V388 L456 S457 Q458 | V388-D454 HydrophobicContact CG2-CB 3.91Å; D454-L456 PolarHBondContact O-N 3.5Å; D454-S457 WeakPolarHBondContact O-CB 3.39Å; D454-S457 PolarHBondContact O-N 2.81Å; D454-S457 PolarHBondContact O-OG 2.94Å; D454-Q458 PolarHBondContact O-N 3.38Å |
| 455 | I | 78.7 | Confident | 70.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | -179.8 | -54.3 | 162.3 | 0 | 0 | 0 | 111.2 | D384 F387 F438 L450 S453 S457 Q458 I459 | D384-I455 WeakPolarHBondContact OD1-CD1 3.31Å; F387-I455 HydrophobicContact CB-CG1 4.33Å; F387-I455 HydrophobicContact CD1-CB 4.27Å; F387-I455 HydrophobicContact CD1-CG1 4.25Å; F387-I455 HydrophobicContact CD1-CG2 3.81Å; F387-I455 HydrophobicContact CD2-CG2 4.45Å; F387-I455 HydrophobicContact CE1-CG2 3.71Å; F387-I455 HydrophobicContact CE2-CG2 4.36Å; F387-I455 HydrophobicContact CG-CG1 4.31Å; F387-I455 HydrophobicContact CG-CG2 4.19Å; F387-I455 HydrophobicContact CZ-CG2 4Å; F438-I455 HydrophobicContact CD1-CD1 3.99Å; F438-I455 HydrophobicContact CD2-CD1 4.35Å; F438-I455 HydrophobicContact CE1-CD1 3.22Å; F438-I455 HydrophobicContact CE2-CD1 3.67Å; F438-I455 HydrophobicContact CZ-CD1 3.03Å; F438-I455 HydrophobicContact CZ-CG1 4.12Å; L450-I455 HydrophobicContact CD1-CD1 4.38Å; S453-I455 PolarHBondContact O-N 3.41Å; S453-I455 WeakPolarHBondContact OG-CB 3.23Å; I455-S457 PolarHBondContact O-N 3.47Å; I455-Q458 WeakPolarHBondContact O-CA 3.37Å; I455-Q458 PolarHBondContact O-N 3.48Å; I455-I459 HydrophobicContact CG2-CD1 4.01Å; I455-I459 HydrophobicContact CG2-CG1 4.17Å; I455-I459 WeakPolarHBondContact O-CG1 3.28Å; I455-I459 PolarHBondContact O-N 2.71Å |
| 456 | L | 79.4 | Confident | 73 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -32.9 | -179.6 | -80 | 178.9 | 0 | 0 | 0 | 111.6 | L450 S453 D454 Q458 I459 P460 L529 F562 T563 I566 | L450-L456 HydrophobicContact CD2-CD2 4.08Å; L450-L456 HydrophobicContact CD2-CG 4.47Å; L450-L456 HydrophobicContact CG-CG 4.4Å; L450-L456 WeakPolarHBondContact O-CD1 3.2Å; L450-L456 WeakPolarHBondContact O-CG 3.43Å; S453-L456 PolarHBondContact O-N 3.17Å; D454-L456 PolarHBondContact O-N 3.5Å; L456-Q458 VanDerWaalsContact C-N 3.31Å; L456-I459 HydrophobicContact CD2-CD1 4.39Å; L456-P460 WeakPolarHBondContact O-CD 3.26Å; L456-L529 HydrophobicContact CD2-CD2 3.59Å; L456-F562 HydrophobicContact CB-CE1 4.47Å; L456-T563 HydrophobicContact CD2-CG2 4.21Å; L456-I566 WeakPolarHBondContact O-CD1 3.35Å |
| 457 | S | 82.6 | Confident | 75.5 | Confident | 56 Ų | 56 | 44.2 Ų | 44.2 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.2 | -28.2 | 175.1 | 81.7 | 0 | 0 | 0 | 0 | 113.1 | D454 I455 | D454-S457 WeakPolarHBondContact O-CB 3.39Å; D454-S457 PolarHBondContact O-N 2.81Å; D454-S457 PolarHBondContact O-OG 2.94Å; I455-S457 PolarHBondContact O-N 3.47Å |
| 458 | Q | 87.9 | Confident | 77.8 | Confident | 31 Ų | 31 | 45 Ų | 45 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -88.4 | -28.2 | -177.9 | -64.4 | -56.2 | -43.5 | 0 | 0 | 113.5 | F387 V388 D454 I455 L456 I461 L462 | F387-Q458 HydrophobicContact CD1-CB 4.18Å; F387-Q458 HydrophobicContact CE1-CB 3.86Å; V388-Q458 HydrophobicContact CB-CG 4.47Å; V388-Q458 HydrophobicContact CG2-CG 3.82Å; D454-Q458 PolarHBondContact O-N 3.38Å; I455-Q458 WeakPolarHBondContact O-CA 3.37Å; I455-Q458 PolarHBondContact O-N 3.48Å; L456-Q458 VanDerWaalsContact C-N 3.31Å; Q458-I461 WeakPolarHBondContact O-CB 3.47Å; Q458-I461 PolarHBondContact O-N 3.37Å; Q458-L462 WeakPolarHBondContact O-CB 3.36Å; Q458-L462 PolarHBondContact O-N 3.36Å |
| 459 | I | 89.4 | Confident | 80 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.2 | -43.6 | -178.5 | -68.4 | 166.9 | 0 | 0 | 0 | 112.9 | F387 I455 L456 I461 L462 S463 C525 L529 I566 | F387-I459 HydrophobicContact CE1-CG1 4.49Å; F387-I459 HydrophobicContact CZ-CG1 4.32Å; I455-I459 HydrophobicContact CG2-CD1 4.01Å; I455-I459 HydrophobicContact CG2-CG1 4.17Å; I455-I459 WeakPolarHBondContact O-CG1 3.28Å; I455-I459 PolarHBondContact O-N 2.71Å; L456-I459 HydrophobicContact CD2-CD1 4.39Å; I459-I461 VanDerWaalsContact C-N 3.32Å; I459-I461 PolarHBondContact O-N 3.28Å; I459-L462 PolarHBondContact O-N 2.97Å; I459-S463 VanDerWaalsContact O-CB 3.3Å; I459-S463 WeakPolarHBondContact O-CB 3.43Å; I459-S463 PolarHBondContact O-N 3.42Å; I459-S463 PolarHBondContact O-OG 3.49Å; I459-C525 HydrophobicContact CG2-CB 4.25Å; I459-L529 HydrophobicContact CD1-CD2 4.02Å; I459-L529 HydrophobicContact CD1-CG 4.32Å; I459-L529 HydrophobicContact CG2-CD1 3.87Å; I459-I566 HydrophobicContact CB-CG2 4.46Å; I459-I566 HydrophobicContact CG2-CG2 4.1Å |
| 460 | P | 88.3 | Confident | 81.9 | Confident | 22 Ų | 22 | 35 Ų | 35 | 14% | 0.143 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | 174.2 | -22.2 | 30.8 | 0 | 0 | 0 | 112.8 | L456 S463 N464 I566 | L456-P460 WeakPolarHBondContact O-CD 3.26Å; P460-S463 PolarHBondContact O-N 3.32Å; P460-N464 PolarHBondContact O-N 2.87Å; P460-N464 VanDerWaalsContact O-N 3.09Å; P460-N464 PolarHBondContact O-ND2 3.46Å; P460-I566 HydrophobicContact CG-CB 4.5Å; P460-I566 HydrophobicContact CG-CD1 3.93Å; P460-I566 HydrophobicContact CG-CG1 3.88Å; P460-I566 HydrophobicContact CG-CG2 3.83Å |
| 461 | I | 89.7 | Confident | 83.5 | Confident | 61 Ų | 61 | 36.2 Ų | 36.2 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.2 | -48.8 | 179.3 | -60.5 | 174.3 | 0 | 0 | 0 | 109.5 | Q458 I459 F465 | Q458-I461 WeakPolarHBondContact O-CB 3.47Å; Q458-I461 PolarHBondContact O-N 3.37Å; I459-I461 VanDerWaalsContact C-N 3.32Å; I459-I461 PolarHBondContact O-N 3.28Å; I461-F465 WeakPolarHBondContact O-CB 3.45Å; I461-F465 PolarHBondContact O-N 2.77Å; I461-F465 VanDerWaalsContact O-N 3.09Å |
| 462 | L | 92.9 | Very high | 85.1 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 176.4 | 176.6 | 60.8 | 0 | 0 | 0 | 111.4 | F387 V391 L394 L431 Q458 I459 N464 F465 L466 L521 | F387-L462 HydrophobicContact CZ-CD2 4Å; V391-L462 HydrophobicContact CG1-CB 4.41Å; V391-L462 HydrophobicContact CG2-CB 4.35Å; V391-L462 HydrophobicContact CG2-CD1 4.4Å; V391-L462 HydrophobicContact CG2-CD2 4.3Å; L394-L462 HydrophobicContact CD2-CD1 3.62Å; L431-L462 HydrophobicContact CD1-CD1 3.8Å; L431-L462 HydrophobicContact CD1-CD2 4.14Å; Q458-L462 WeakPolarHBondContact O-CB 3.36Å; Q458-L462 PolarHBondContact O-N 3.36Å; I459-L462 PolarHBondContact O-N 2.97Å; L462-N464 PolarHBondContact O-N 2.69Å; L462-F465 WeakPolarHBondContact O-CB 3.44Å; L462-F465 PolarHBondContact O-N 3.49Å; L462-L466 HydrophobicContact CD1-CD1 3.94Å; L462-L466 HydrophobicContact CD1-CD2 4.29Å; L462-L466 HydrophobicContact CD1-CG 3.9Å; L462-L466 HydrophobicContact CG-CD1 3.88Å; L462-L466 HydrophobicContact CG-CG 4.27Å; L462-L466 VanDerWaalsContact O-CG 3.29Å; L462-L466 WeakPolarHBondContact O-CG 3.44Å; L462-L466 PolarHBondContact O-N 3.26Å; L462-L521 HydrophobicContact CD1-CD2 4.43Å; L462-L521 HydrophobicContact CD2-CD2 4.37Å |
| 463 | S | 92.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | -175.6 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | I459 P460 C467 C570 | I459-S463 VanDerWaalsContact O-CB 3.3Å; I459-S463 WeakPolarHBondContact O-CB 3.43Å; I459-S463 PolarHBondContact O-N 3.42Å; I459-S463 PolarHBondContact O-OG 3.49Å; P460-S463 PolarHBondContact O-N 3.32Å; S463-C467 WeakPolarHBondContact O-CB 3.41Å; S463-C467 PolarHBondContact O-N 3.4Å; S463-C467 VanDerWaalsContact O-N 3.11Å; S463-C570 PolarHBondContact OG-SG 3.34Å |
| 464 | N | 91.8 | Very high | 87.7 | Confident | 59 Ų | 59 | 28.1 Ų | 28.1 | 32% | 0.316 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 174.3 | -73.3 | -55.7 | 0 | 0 | 0 | 111.5 | P460 L462 C467 Q468 Q569 | P460-N464 PolarHBondContact O-N 2.87Å; P460-N464 VanDerWaalsContact O-N 3.09Å; P460-N464 PolarHBondContact O-ND2 3.46Å; L462-N464 PolarHBondContact O-N 2.69Å; N464-C467 PolarHBondContact O-N 3.03Å; N464-Q468 WeakPolarHBondContact O-CG 3.28Å; N464-Q468 PolarHBondContact O-N 3.43Å; N464-Q569 PolarHBondContact ND2-NE2 3.06Å |
| 465 | F | 92.6 | Very high | 88.2 | Confident | 13 Ų | 13 | 28 Ų | 28 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 177.8 | -179.7 | -96.9 | 0 | 0 | 0 | 112.3 | L394 R395 I461 L462 C467 Q468 L469 | L394-F465 HydrophobicContact CD1-CE1 4.13Å; L394-F465 HydrophobicContact CD2-CD1 4.13Å; L394-F465 HydrophobicContact CD2-CE1 4.11Å; L394-F465 HydrophobicContact CG-CD1 4.12Å; L394-F465 HydrophobicContact CG-CE1 3.63Å; R395-F465 HydrophobicContact CB-CE2 4.36Å; R395-F465 HydrophobicContact CG-CD1 4.43Å; R395-F465 HydrophobicContact CG-CD2 3.93Å; R395-F465 HydrophobicContact CG-CE2 4.17Å; R395-F465 HydrophobicContact CG-CG 4.04Å; I461-F465 WeakPolarHBondContact O-CB 3.45Å; I461-F465 PolarHBondContact O-N 2.77Å; I461-F465 VanDerWaalsContact O-N 3.09Å; L462-F465 WeakPolarHBondContact O-CB 3.44Å; L462-F465 PolarHBondContact O-N 3.49Å; F465-C467 VanDerWaalsContact C-N 3.29Å; F465-C467 PolarHBondContact O-N 2.64Å; F465-Q468 PolarHBondContact O-N 3.4Å; F465-L469 HydrophobicContact CE1-CD2 4.39Å; F465-L469 WeakPolarHBondContact O-CB 3.24Å; F465-L469 PolarHBondContact O-N 2.99Å |
| 466 | L | 93.4 | Very high | 88 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 176.3 | -68.7 | 172.6 | 0 | 0 | 0 | 111.6 | L394 I428 L462 L469 V470 L521 L522 | L394-L466 HydrophobicContact CD2-CD2 4.35Å; I428-L466 HydrophobicContact CD1-CD2 4.31Å; I428-L466 HydrophobicContact CG1-CD2 4.33Å; L462-L466 HydrophobicContact CD1-CD1 3.94Å; L462-L466 HydrophobicContact CD1-CD2 4.29Å; L462-L466 HydrophobicContact CD1-CG 3.9Å; L462-L466 HydrophobicContact CG-CD1 3.88Å; L462-L466 HydrophobicContact CG-CG 4.27Å; L462-L466 VanDerWaalsContact O-CG 3.29Å; L462-L466 WeakPolarHBondContact O-CG 3.44Å; L462-L466 PolarHBondContact O-N 3.26Å; L466-L469 PolarHBondContact O-N 3.47Å; L466-V470 WeakPolarHBondContact O-CB 3.2Å; L466-V470 WeakPolarHBondContact O-CG2 3.5Å; L466-V470 PolarHBondContact O-N 2.96Å; L466-L521 HydrophobicContact CD1-CB 4.13Å; L466-L521 HydrophobicContact CD1-CD2 3.78Å; L466-L521 HydrophobicContact CD1-CG 3.81Å; L466-L521 HydrophobicContact CD2-CD2 4.17Å; L466-L522 HydrophobicContact CD1-CB 4.38Å |
| 467 | C | 92.4 | Very high | 88 | Confident | 14 Ų | 14 | 29.6 Ų | 29.6 | 10% | 0.095 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | S463 N464 F465 V470 N471 L573 L577 | S463-C467 WeakPolarHBondContact O-CB 3.41Å; S463-C467 PolarHBondContact O-N 3.4Å; S463-C467 VanDerWaalsContact O-N 3.11Å; N464-C467 PolarHBondContact O-N 3.03Å; F465-C467 VanDerWaalsContact C-N 3.29Å; F465-C467 PolarHBondContact O-N 2.64Å; C467-V470 PolarHBondContact O-N 3.23Å; C467-N471 VanDerWaalsContact O-CG 3.31Å; C467-N471 PolarHBondContact O-N 3.23Å; C467-N471 PolarHBondContact O-ND2 2.93Å; C467-L573 HydrophobicContact CB-CD2 4.24Å; C467-L577 HydrophobicContact CB-CD1 4.39Å |
| 468 | Q | 90.5 | Very high | 87.5 | Confident | 116 Ų | 116 | 30.8 Ų | 30.8 | 54% | 0.542 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61 | -45.4 | 174.9 | -71.8 | 173 | -10.3 | 0 | 0 | 111.8 | N464 F465 V470 N471 N472 | N464-Q468 WeakPolarHBondContact O-CG 3.28Å; N464-Q468 PolarHBondContact O-N 3.43Å; F465-Q468 PolarHBondContact O-N 3.4Å; Q468-V470 PolarHBondContact O-N 2.98Å; Q468-N471 PolarHBondContact O-N 3.13Å; Q468-N472 WeakPolarHBondContact O-CB 3.28Å; Q468-N472 VanDerWaalsContact O-CG 3.31Å; Q468-N472 PolarHBondContact O-N 2.9Å; Q468-N472 PolarHBondContact O-OD1 3.36Å |
| 469 | L | 90.3 | Very high | 86.7 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 178 | -174.1 | 71.5 | 0 | 0 | 0 | 111.3 | I424 I428 F465 L466 N471 N472 H473 L514 | I424-L469 HydrophobicContact CG2-CD2 3.86Å; I428-L469 HydrophobicContact CD1-CD2 4.37Å; F465-L469 HydrophobicContact CE1-CD2 4.39Å; F465-L469 WeakPolarHBondContact O-CB 3.24Å; F465-L469 PolarHBondContact O-N 2.99Å; L466-L469 PolarHBondContact O-N 3.47Å; L469-N471 PolarHBondContact O-N 3.37Å; L469-N472 PolarHBondContact O-N 3.32Å; L469-H473 WeakPolarHBondContact O-CB 3.35Å; L469-H473 PolarHBondContact O-CD2 3.29Å; L469-H473 VanDerWaalsContact O-CD2 3.24Å; L469-H473 PolarHBondContact O-N 3.48Å; L469-L514 HydrophobicContact CD1-CD2 4.45Å; L469-L514 HydrophobicContact CD2-CD1 4.26Å; L469-L514 HydrophobicContact CD2-CD2 4.31Å; L469-L514 HydrophobicContact CD2-CG 4.43Å; L469-L514 HydrophobicContact CG-CD2 4.43Å |
| 470 | V | 91 | Very high | 86 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 178.1 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L466 C467 Q468 H473 L474 S518 I519 L577 | L466-V470 WeakPolarHBondContact O-CB 3.2Å; L466-V470 WeakPolarHBondContact O-CG2 3.5Å; L466-V470 PolarHBondContact O-N 2.96Å; C467-V470 PolarHBondContact O-N 3.23Å; Q468-V470 PolarHBondContact O-N 2.98Å; V470-H473 PolarHBondContact O-N 3.5Å; V470-L474 HydrophobicContact CG1-CD1 3.72Å; V470-L474 HydrophobicContact CG1-CG 4.27Å; V470-L474 WeakPolarHBondContact O-CB 3.47Å; V470-L474 VanDerWaalsContact O-CG 3.31Å; V470-L474 WeakPolarHBondContact O-CG 3.01Å; V470-L474 PolarHBondContact O-N 3.5Å; V470-S518 VanDerWaalsContact CG2-CB 3.48Å; V470-I519 HydrophobicContact CG1-CD1 4.08Å; V470-I519 HydrophobicContact CG1-CG1 4.21Å; V470-I519 HydrophobicContact CG2-CG1 3.91Å; V470-L577 HydrophobicContact CB-CD1 4.36Å; V470-L577 HydrophobicContact CB-CD2 4.13Å; V470-L577 HydrophobicContact CG1-CD1 4.39Å; V470-L577 HydrophobicContact CG1-CD2 3.76Å; V470-L577 HydrophobicContact CG2-CD1 4.36Å |
| 471 | N | 89.8 | Confident | 85 | Confident | 42 Ų | 42 | 35.4 Ų | 35.4 | 23% | 0.225 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 178.3 | -71.4 | -40.6 | 0 | 0 | 0 | 111.2 | C467 Q468 L469 H473 L474 D475 R580 | C467-N471 VanDerWaalsContact O-CG 3.31Å; C467-N471 PolarHBondContact O-N 3.23Å; C467-N471 PolarHBondContact O-ND2 2.93Å; Q468-N471 PolarHBondContact O-N 3.13Å; L469-N471 PolarHBondContact O-N 3.37Å; N471-H473 VanDerWaalsContact C-N 3.32Å; N471-H473 PolarHBondContact O-N 2.96Å; N471-L474 PolarHBondContact O-N 3.04Å; N471-D475 VanDerWaalsContact O-CB 3.25Å; N471-D475 WeakPolarHBondContact O-CB 3.47Å; N471-D475 PolarHBondContact O-N 2.92Å; N471-R580 PolarHBondContact OD1-NH1 2.97Å |
| 472 | N | 85.2 | Confident | 83.9 | Confident | 60 Ų | 60 | 35 Ų | 35 | 32% | 0.321 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 178.1 | -72.7 | 0.1 | 0 | 0 | 0 | 112.3 | D402 Q468 L469 N476 | D402-N472 PolarHBondContact OD1-ND2 3.03Å; Q468-N472 WeakPolarHBondContact O-CB 3.28Å; Q468-N472 VanDerWaalsContact O-CG 3.31Å; Q468-N472 PolarHBondContact O-N 2.9Å; Q468-N472 PolarHBondContact O-OD1 3.36Å; L469-N472 PolarHBondContact O-N 3.32Å; N472-N476 WeakPolarHBondContact O-CB 3.19Å; N472-N476 PolarHBondContact O-N 3.34Å; N472-N476 PolarHBondContact O-ND2 2.88Å |
| 473 | H | 86.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -76.7 | -23.6 | -179.4 | -85.5 | -79.1 | 0 | 0 | 0 | 114.1 | L469 V470 N471 N477 S511 L514 S515 | L469-H473 WeakPolarHBondContact O-CB 3.35Å; L469-H473 PolarHBondContact O-CD2 3.29Å; L469-H473 VanDerWaalsContact O-CD2 3.24Å; L469-H473 PolarHBondContact O-N 3.48Å; V470-H473 PolarHBondContact O-N 3.5Å; N471-H473 VanDerWaalsContact C-N 3.32Å; N471-H473 PolarHBondContact O-N 2.96Å; H473-N477 WeakPolarHBondContact O-CB 3.29Å; H473-S511 WeakPolarHBondContact CB-OG 3.46Å; H473-S511 PolarHBondContact ND1-OG 2.61Å; H473-S511 PolarHBondContact O-OG 3.41Å; H473-S511 VanDerWaalsContact O-OG 3.13Å; H473-L514 VanDerWaalsContact NE2-CD2 3.32Å; H473-L514 WeakPolarHBondContact NE2-CD2 3.48Å; H473-S515 WeakPolarHBondContact CB-OG 3.32Å |
| 474 | L | 85 | Confident | 81.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -86.2 | -47.4 | 173.8 | -67.9 | 178.4 | 0 | 0 | 0 | 111.3 | V470 N471 N476 N477 V480 L586 | V470-L474 HydrophobicContact CG1-CD1 3.72Å; V470-L474 HydrophobicContact CG1-CG 4.27Å; V470-L474 WeakPolarHBondContact O-CB 3.47Å; V470-L474 VanDerWaalsContact O-CG 3.31Å; V470-L474 WeakPolarHBondContact O-CG 3.01Å; V470-L474 PolarHBondContact O-N 3.5Å; N471-L474 PolarHBondContact O-N 3.04Å; L474-N476 PolarHBondContact O-N 3.19Å; L474-N476 VanDerWaalsContact O-N 3.17Å; L474-N477 PolarHBondContact O-N 3.32Å; L474-N477 VanDerWaalsContact O-N 3.11Å; L474-V480 HydrophobicContact CB-CG2 4.42Å; L474-V480 HydrophobicContact CD2-CG2 4.07Å; L474-V480 WeakPolarHBondContact O-CG2 3.35Å; L474-L586 HydrophobicContact CD2-CD1 4.07Å; L474-L586 HydrophobicContact CD2-CD2 4.11Å |
| 475 | D | 82.4 | Confident | 80.3 | Confident | 100 Ų | 100 | 40.3 Ų | 40.3 | 54% | 0.535 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.4 | -24.2 | -175.9 | -64.1 | -14.8 | 0 | 0 | 0 | 112.7 | N471 R580 | N471-D475 VanDerWaalsContact O-CB 3.25Å; N471-D475 WeakPolarHBondContact O-CB 3.47Å; N471-D475 PolarHBondContact O-N 2.92Å; D475-R580 IonicContact OD1-CZ 3.9Å; D475-R580 IonicContact OD1-NH1 2.7Å; D475-R580 PolarHBondContact OD1-NH1 3.11Å; D475-R580 IonicContact OD1-NH2 3.35Å; D475-R580 PolarHBondContact OD1-NH2 3.38Å |
| 476 | N | 75.6 | Confident | 78.4 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 17% | 0.171 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 3.6 | 178.6 | -61.2 | -53.4 | 0 | 0 | 0 | 114 | L404 K405 N472 L474 | L404-N476 HydrophobicContact CB-CB 3.9Å; L404-N476 HydrophobicContact CD1-CB 4.11Å; K405-N476 WeakPolarHBondContact CE-OD1 3.2Å; K405-N476 PolarHBondContact NZ-OD1 3.41Å; N472-N476 WeakPolarHBondContact O-CB 3.19Å; N472-N476 PolarHBondContact O-N 3.34Å; N472-N476 PolarHBondContact O-ND2 2.88Å; L474-N476 PolarHBondContact O-N 3.19Å; L474-N476 VanDerWaalsContact O-N 3.17Å |
| 477 | N | 78.2 | Confident | 76.1 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | trans | -96.2 | 118.4 | -175.1 | -178.1 | -22.5 | 0 | 0 | 0 | 111.6 | H473 L474 L479 V480 C508 C512 | H473-N477 WeakPolarHBondContact O-CB 3.29Å; L474-N477 PolarHBondContact O-N 3.32Å; L474-N477 VanDerWaalsContact O-N 3.11Å; N477-L479 PolarHBondContact O-N 3.21Å; N477-L479 WeakPolarHBondContact OD1-CB 3.46Å; N477-L479 PolarHBondContact OD1-N 3.02Å; N477-V480 HydrophobicContact CB-CG2 4.06Å; N477-V480 VanDerWaalsContact O-CB 3.24Å; N477-V480 WeakPolarHBondContact O-CB 3.31Å; N477-V480 PolarHBondContact O-N 2.81Å; N477-C508 PolarHBondContact ND2-O 2.83Å; N477-C508 VanDerWaalsContact OD1-CB 3.27Å; N477-C508 WeakPolarHBondContact OD1-CB 3.47Å; N477-C508 PolarHBondContact OD1-SG 2.95Å; N477-C512 PolarHBondContact ND2-SG 3.1Å | ||
| 478 | Q | 72 | Confident | 73.6 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66 | -22.1 | -175.5 | -63.4 | 176.9 | -18.7 | 0 | 0 | 113.5 | V480 S498 I499 | Q478-V480 VanDerWaalsContact C-N 3.25Å; Q478-V480 PolarHBondContact O-N 2.94Å; Q478-S498 PolarHBondContact OE1-O 3.4Å; Q478-I499 HydrophobicContact CB-CD1 3.93Å; Q478-I499 HydrophobicContact CB-CG1 4.01Å |
| 479 | L | 72.3 | Confident | 71.1 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.4 | -22.3 | 173.7 | -68 | 178.3 | 0 | 0 | 0 | 112.4 | N477 E481 I482 L483 I499 C508 L509 | N477-L479 PolarHBondContact O-N 3.21Å; N477-L479 WeakPolarHBondContact OD1-CB 3.46Å; N477-L479 PolarHBondContact OD1-N 3.02Å; L479-E481 VanDerWaalsContact C-N 3.31Å; L479-E481 PolarHBondContact O-N 3.03Å; L479-I482 HydrophobicContact CD2-CD1 3.89Å; L479-I482 WeakPolarHBondContact O-CB 3.31Å; L479-I482 PolarHBondContact O-N 2.73Å; L479-I482 VanDerWaalsContact O-N 3.07Å; L479-L483 WeakPolarHBondContact O-CG 3.29Å; L479-L483 PolarHBondContact O-N 2.9Å; L479-I499 HydrophobicContact CD2-CD1 4.16Å; L479-C508 HydrophobicContact CB-CB 4.32Å; L479-C508 HydrophobicContact CD1-CB 3.4Å; L479-C508 HydrophobicContact CG-CB 3.52Å; L479-L509 HydrophobicContact CD1-CD2 3.89Å; L479-L509 HydrophobicContact CD1-CG 4.11Å |
| 480 | V | 74.6 | Confident | 68.5 | Low | 10 Ų | 10 | 68.6 Ų | 68.6 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 179.7 | 162.4 | 0 | 0 | 0 | 0 | 111.6 | L474 N477 Q478 I482 L483 L484 E582 | L474-V480 HydrophobicContact CB-CG2 4.42Å; L474-V480 HydrophobicContact CD2-CG2 4.07Å; L474-V480 WeakPolarHBondContact O-CG2 3.35Å; N477-V480 HydrophobicContact CB-CG2 4.06Å; N477-V480 VanDerWaalsContact O-CB 3.24Å; N477-V480 WeakPolarHBondContact O-CB 3.31Å; N477-V480 PolarHBondContact O-N 2.81Å; Q478-V480 VanDerWaalsContact C-N 3.25Å; Q478-V480 PolarHBondContact O-N 2.94Å; V480-I482 PolarHBondContact O-N 2.83Å; V480-L483 WeakPolarHBondContact O-CB 3.48Å; V480-L483 PolarHBondContact O-N 3.42Å; V480-L483 VanDerWaalsContact O-N 3.09Å; V480-L484 HydrophobicContact CG1-CD1 3.78Å; V480-L484 HydrophobicContact CG1-CG 4.21Å; V480-L484 WeakPolarHBondContact O-CB 3.24Å; V480-L484 WeakPolarHBondContact O-CG 3.39Å; V480-L484 PolarHBondContact O-N 3.26Å; V480-E582 HydrophobicContact CB-CG 4.44Å; V480-E582 HydrophobicContact CG1-CB 4.29Å; V480-E582 HydrophobicContact CG1-CG 3.28Å; V480-E582 HydrophobicContact CG2-CG 4.48Å |
| 481 | E | 67.1 | Low | 65.9 | Low | 131 Ų | 131 | 75.3 Ų | 75.3 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61 | -35.9 | 175.2 | -67.4 | -174.5 | 172.1 | 0 | 0 | 112 | L479 L484 N485 | L479-E481 VanDerWaalsContact C-N 3.31Å; L479-E481 PolarHBondContact O-N 3.03Å; E481-L484 PolarHBondContact O-N 2.77Å; E481-N485 VanDerWaalsContact O-CG 3.31Å; E481-N485 PolarHBondContact O-N 3.03Å; E481-N485 VanDerWaalsContact O-N 3.11Å; E481-N485 PolarHBondContact O-ND2 3.3Å |
| 482 | I | 65.9 | Low | 63.4 | Low | 53 Ų | 53 | 81.6 Ų | 81.6 | 27% | 0.272 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 176 | -56.2 | 179.5 | 0 | 0 | 0 | 110.4 | L479 V480 L484 I499 | L479-I482 HydrophobicContact CD2-CD1 3.89Å; L479-I482 WeakPolarHBondContact O-CB 3.31Å; L479-I482 PolarHBondContact O-N 2.73Å; L479-I482 VanDerWaalsContact O-N 3.07Å; V480-I482 PolarHBondContact O-N 2.83Å; I482-L484 VanDerWaalsContact C-N 3.31Å; I482-I499 HydrophobicContact CD1-CD1 4.39Å |
| 483 | L | 68.5 | Low | 61.2 | Low | 15 Ų | 15 | 81.8 Ų | 81.8 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.9 | -29.8 | 176.6 | -63 | 174.8 | 0 | 0 | 0 | 112.3 | L479 V480 L589 R631 | L479-L483 WeakPolarHBondContact O-CG 3.29Å; L479-L483 PolarHBondContact O-N 2.9Å; V480-L483 WeakPolarHBondContact O-CB 3.48Å; V480-L483 PolarHBondContact O-N 3.42Å; V480-L483 VanDerWaalsContact O-N 3.09Å; L483-L589 HydrophobicContact CD1-CD2 4.44Å; L483-R631 PolarHBondContact O-NH2 3.18Å |
| 484 | L | 70.9 | Confident | 58.8 | Low | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.277 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -83.2 | -24.9 | -178.7 | -74.4 | 176.4 | 0 | 0 | 0 | 114.5 | V480 E481 I482 D486 P581 E582 R631 | V480-L484 HydrophobicContact CG1-CD1 3.78Å; V480-L484 HydrophobicContact CG1-CG 4.21Å; V480-L484 WeakPolarHBondContact O-CB 3.24Å; V480-L484 WeakPolarHBondContact O-CG 3.39Å; V480-L484 PolarHBondContact O-N 3.26Å; E481-L484 PolarHBondContact O-N 2.77Å; I482-L484 VanDerWaalsContact C-N 3.31Å; L484-D486 PolarHBondContact O-N 2.97Å; L484-P581 HydrophobicContact CD2-CB 3.82Å; L484-P581 HydrophobicContact CD2-CG 4.05Å; L484-E582 HydrophobicContact CD1-CG 3.89Å; L484-E582 HydrophobicContact CD2-CB 4.42Å; L484-E582 HydrophobicContact CD2-CG 3.83Å; L484-E582 HydrophobicContact CG-CG 3.89Å; L484-R631 PolarHBondContact O-NH2 3.28Å |
| 485 | N | 63 | Low | 56.7 | Low | 102 Ų | 102 | 86.9 Ų | 86.9 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | trans | -70.9 | 99.2 | -173.9 | -86.9 | -32.5 | 0 | 0 | 0 | 113.3 | E481 | E481-N485 VanDerWaalsContact O-CG 3.31Å; E481-N485 PolarHBondContact O-N 3.03Å; E481-N485 VanDerWaalsContact O-N 3.11Å; E481-N485 PolarHBondContact O-ND2 3.3Å | ||
| 486 | D | 51.7 | Low | 54.9 | Low | 88 Ų | 88 | 87.7 Ų | 87.7 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | trans | -95.1 | -14.1 | -173.4 | -84.8 | -34.3 | 0 | 0 | 0 | 115.8 | L484 R631 | L484-D486 PolarHBondContact O-N 2.97Å; D486-R631 VanDerWaalsContact CG-NH2 3.32Å; D486-R631 IonicContact OD1-CZ 3.81Å; D486-R631 VanDerWaalsContact OD1-CZ 3.31Å; D486-R631 IonicContact OD1-NE 2.68Å; D486-R631 IonicContact OD1-NH1 3.13Å; D486-R631 IonicContact OD1-NH2 3.31Å; D486-R631 PolarHBondContact OD1-NH2 2.9Å; D486-R631 VanDerWaalsContact OD1-NH2 3.13Å; D486-R631 IonicContact OD2-CZ 2.77Å; D486-R631 IonicContact OD2-NH1 3.15Å; D486-R631 PolarHBondContact OD2-NH1 3.44Å; D486-R631 IonicContact OD2-NH2 3.11Å; D486-R631 PolarHBondContact OD2-NH2 3.08Å; D486-R631 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 487 | Q | 45.9 | Very low | 53.3 | Low | 156 Ų | 156 | 91.2 Ų | 91.2 | 73% | 0.729 | 46% | 0.461 | S | S | * | . | trans | -141.3 | 127.5 | -157.8 | -59.2 | -163.9 | -7.1 | 0 | 0 | 115.2 | ||||
| 488 | H | 39.1 | Very low | 51.9 | Low | 144 Ų | 144 | 93.3 Ų | 93.3 | 67% | 0.667 | 48% | 0.476 | S | S | * | . | trans | 101.9 | 104.9 | 166.2 | -55.8 | -60.7 | 0 | 0 | 0 | 117.7 | N490 | H488-N490 PolarHBondContact O-N 3.49Š| ||
| 489 | E | 39.3 | Very low | 51 | Low | 199 Ų | 199 | 89.8 Ų | 89.8 | 93% | 0.93 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 0.7 | 168.7 | -68.7 | -178.2 | 141.9 | 0 | 0 | 115.6 | ||
| 490 | N | 34.3 | Very low | 50 | Low | 156 Ų | 156 | 93.8 Ų | 93.8 | 83% | 0.834 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.4 | 12.1 | -169.8 | -78.9 | -39.7 | 0 | 0 | 0 | 116.1 | H488 | H488-N490 PolarHBondContact O-N 3.49Š|
| 491 | Q | 37.3 | Very low | 49.1 | Very low | 142 Ų | 142 | 97 Ų | 97 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | trans | -114.2 | 116 | 170.7 | -74.7 | -178.3 | -6.5 | 0 | 0 | 110.7 | V493 | Q491-V493 VanDerWaalsContact C-N 3.3Å; Q491-V493 PolarHBondContact O-N 2.93Å | ||
| 492 | H | 37.6 | Very low | 48.4 | Very low | 175 Ų | 175 | 96.3 Ų | 96.3 | 81% | 0.81 | 50% | 0.496 | S | S | * | . | trans | -58.1 | 96.3 | 161.2 | -100.7 | -90.9 | 0 | 0 | 0 | 107.5 | D494 | H492-D494 VanDerWaalsContact C-N 3.3Å; H492-D494 PolarHBondContact O-N 3.5Å | ||
| 493 | V | 37.6 | Very low | 47.8 | Very low | 64 Ų | 64 | 94.8 Ų | 94.8 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | trans | -67.4 | 101.9 | 156.3 | 179.3 | 0 | 0 | 0 | 0 | 104.9 | Q491 C495 | Q491-V493 VanDerWaalsContact C-N 3.3Å; Q491-V493 PolarHBondContact O-N 2.93Å; V493-C495 PolarHBondContact O-N 3.4Å | ||
| 494 | D | 36.8 | Very low | 47.5 | Very low | 96 Ų | 96 | 95.5 Ų | 95.5 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | trans | -71.6 | 77.9 | 176.5 | -126.3 | -4.1 | 0 | 0 | 0 | 107.9 | H492 H496 S497 | H492-D494 VanDerWaalsContact C-N 3.3Å; H492-D494 PolarHBondContact O-N 3.5Å; D494-H496 PolarHBondContact O-N 2.97Å; D494-H496 IonicContact OD1-CD2 4Å; D494-S497 PolarHBondContact O-N 3.24Å; D494-S497 PolarHBondContact O-OG 3.18Å | ||
| 495 | C | 41.7 | Very low | 47.2 | Very low | 13 Ų | 13 | 93.2 Ų | 93.2 | 9% | 0.088 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -59 | -13 | 173.1 | -81.6 | 0 | 0 | 0 | 0 | 111.9 | V493 S497 S498 I499 F653 | V493-C495 PolarHBondContact O-N 3.4Å; C495-S497 PolarHBondContact O-N 3.48Å; C495-S498 PolarHBondContact O-N 2.94Å; C495-I499 PolarHBondContact O-N 3.24Å; C495-F653 VanDerWaalsContact C-CZ 3.47Å; C495-F653 HydrophobicContact CB-CD2 4.3Å; C495-F653 HydrophobicContact CB-CE1 3.89Å; C495-F653 HydrophobicContact CB-CE2 3.24Å; C495-F653 HydrophobicContact CB-CZ 3.02Å |
| 496 | H | 43 | Very low | 47.3 | Very low | 117 Ų | 117 | 89.8 Ų | 89.8 | 54% | 0.542 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -63.3 | -19.5 | 171.3 | -68.6 | -59.7 | 0 | 0 | 0 | 113.7 | D494 | D494-H496 PolarHBondContact O-N 2.97Å; D494-H496 IonicContact OD1-CD2 4Å |
| 497 | S | 43.1 | Very low | 48.2 | Very low | 105 Ų | 105 | 86.3 Ų | 86.3 | 73% | 0.734 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -85 | -16.7 | -179.2 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | D494 C495 | D494-S497 PolarHBondContact O-N 3.24Å; D494-S497 PolarHBondContact O-OG 3.18Å; C495-S497 PolarHBondContact O-N 3.48Å |
| 498 | S | 47.9 | Very low | 49.6 | Very low | 50 Ų | 50 | 79.3 Ų | 79.3 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -34.5 | -173.4 | 47.7 | 0 | 0 | 0 | 0 | 114.9 | Q478 C495 | Q478-S498 PolarHBondContact OE1-O 3.4Å; C495-S498 PolarHBondContact O-N 2.94Å |
| 499 | I | 53.1 | Low | 51.4 | Low | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | trans | -121.1 | 99 | -179.1 | -61.4 | 166 | 0 | 0 | 0 | 108.3 | Q478 L479 I482 C495 D504 I505 | Q478-I499 HydrophobicContact CB-CD1 3.93Å; Q478-I499 HydrophobicContact CB-CG1 4.01Å; L479-I499 HydrophobicContact CD2-CD1 4.16Å; I482-I499 HydrophobicContact CD1-CD1 4.39Å; C495-I499 PolarHBondContact O-N 3.24Å; I499-D504 HydrophobicContact CG2-CB 4.03Å; I499-I505 HydrophobicContact CG2-CD1 4.27Å; I499-I505 HydrophobicContact CG2-CG1 3.63Å | ||
| 500 | T | 52 | Low | 53.1 | Low | 94 Ų | 94 | 63.3 Ų | 63.3 | 58% | 0.577 | 34% | 0.339 | S | S | * | . | trans | -94.4 | -16.1 | -173.1 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 501 | N | 55.3 | Low | 55.4 | Low | 76 Ų | 76 | 55.9 Ų | 55.9 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -137.2 | 140.6 | -170.7 | -88.4 | -35 | 0 | 0 | 0 | 112.9 | S503 D504 | N501-S503 PolarHBondContact O-N 2.91Å; N501-S503 VanDerWaalsContact O-N 3.13Å; N501-D504 WeakPolarHBondContact O-CB 2.96Å; N501-D504 PolarHBondContact O-N 3Å |
| 502 | K | 52.5 | Low | 57.7 | Low | 118 Ų | 118 | 49.1 Ų | 49.1 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -51.2 | -36.9 | 177.2 | -177.4 | 175.2 | 178.6 | 172.9 | 0 | 113.8 | D504 I505 D506 | K502-D504 PolarHBondContact O-N 3.36Å; K502-I505 WeakPolarHBondContact O-CB 3.48Å; K502-I505 PolarHBondContact O-N 2.89Å; K502-I505 VanDerWaalsContact O-N 3.1Å; K502-D506 PolarHBondContact O-N 3.32Å; K502-D506 VanDerWaalsContact O-N 3.14Å |
| 503 | S | 54.3 | Low | 59.8 | Low | 21 Ų | 21 | 40.8 Ų | 40.8 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.9 | -19.5 | 179.2 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | R414 N501 I507 | R414-S503 VanDerWaalsContact CD-OG 3.22Å; R414-S503 WeakPolarHBondContact CD-OG 3.39Å; R414-S503 PolarHBondContact NH1-OG 3.25Å; N501-S503 PolarHBondContact O-N 2.91Å; N501-S503 VanDerWaalsContact O-N 3.13Å; S503-I507 WeakPolarHBondContact O-CG1 3.06Å; S503-I507 PolarHBondContact O-N 2.99Å |
| 504 | D | 62.3 | Low | 62.2 | Low | 29 Ų | 29 | 37.8 Ų | 37.8 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72 | -37.4 | 170.4 | -64.9 | -41.7 | 0 | 0 | 0 | 110.7 | R414 I499 N501 K502 I507 C508 | R414-D504 IonicContact CZ-OD1 3.7Å; R414-D504 IonicContact CZ-OD2 3.04Å; R414-D504 IonicContact NE-OD1 3.06Å; R414-D504 PolarHBondContact NE-OD1 3.29Å; R414-D504 IonicContact NH1-OD1 3.09Å; R414-D504 PolarHBondContact NH1-OD1 3.09Å; R414-D504 IonicContact NH1-OD2 2.89Å; R414-D504 PolarHBondContact NH1-OD2 2.92Å; R414-D504 VanDerWaalsContact NH2-CG 3.3Å; R414-D504 IonicContact NH2-OD1 3.42Å; R414-D504 PolarHBondContact NH2-OD1 3.44Å; R414-D504 IonicContact NH2-OD2 2.98Å; R414-D504 PolarHBondContact NH2-OD2 3.42Å; I499-D504 HydrophobicContact CG2-CB 4.03Å; N501-D504 WeakPolarHBondContact O-CB 2.96Å; N501-D504 PolarHBondContact O-N 3Å; K502-D504 PolarHBondContact O-N 3.36Å; D504-I507 PolarHBondContact O-N 3.36Å; D504-C508 WeakPolarHBondContact O-CB 3.41Å; D504-C508 PolarHBondContact O-N 3.16Å; D504-C508 PolarHBondContact O-SG 3.06Å |
| 505 | I | 64.5 | Low | 64.8 | Low | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -46.2 | 176.6 | -58.3 | 174.6 | 0 | 0 | 0 | 110.3 | I499 K502 I507 C508 L509 F653 L654 | I499-I505 HydrophobicContact CG2-CD1 4.27Å; I499-I505 HydrophobicContact CG2-CG1 3.63Å; K502-I505 WeakPolarHBondContact O-CB 3.48Å; K502-I505 PolarHBondContact O-N 2.89Å; K502-I505 VanDerWaalsContact O-N 3.1Å; I505-I507 VanDerWaalsContact C-N 3.3Å; I505-I507 PolarHBondContact O-N 3.18Å; I505-C508 PolarHBondContact O-N 2.74Å; I505-C508 VanDerWaalsContact O-N 3.13Å; I505-L509 HydrophobicContact CG2-CD1 4Å; I505-L509 HydrophobicContact CG2-CG 4.18Å; I505-L509 WeakPolarHBondContact O-CB 3.3Å; I505-L509 WeakPolarHBondContact O-CG 3.45Å; I505-L509 PolarHBondContact O-N 2.83Å; I505-F653 HydrophobicContact CD1-CB 4.25Å; I505-F653 HydrophobicContact CD1-CD1 4.28Å; I505-L654 HydrophobicContact CD1-CD2 4.33Å; I505-L654 HydrophobicContact CG2-CD2 4.14Å |
| 506 | D | 65 | Low | 67.1 | Low | 29 Ų | 29 | 32.6 Ų | 32.6 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 179.3 | -69.9 | -31.7 | 0 | 0 | 0 | 111.9 | K502 L510 L604 | K502-D506 PolarHBondContact O-N 3.32Å; K502-D506 VanDerWaalsContact O-N 3.14Å; D506-L510 VanDerWaalsContact O-CB 3.25Å; D506-L510 WeakPolarHBondContact O-CB 3.48Å; D506-L510 PolarHBondContact O-N 2.65Å; D506-L604 HydrophobicContact CB-CD1 4.03Å |
| 507 | I | 70 | Confident | 69.3 | Low | 15 Ų | 15 | 27 Ų | 27 | 8% | 0.077 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | 174.5 | -70.9 | 171.6 | 0 | 0 | 0 | 111 | L404 R414 I417 I421 S503 D504 I505 L509 L510 S511 | L404-I507 HydrophobicContact CD2-CG2 3.54Å; R414-I507 HydrophobicContact CB-CD1 3.5Å; R414-I507 VanDerWaalsContact CB-CD1 3.5Å; R414-I507 HydrophobicContact CG-CD1 3.83Å; I417-I507 HydrophobicContact CG2-CG2 4.13Å; I421-I507 HydrophobicContact CD1-CG2 4.27Å; S503-I507 WeakPolarHBondContact O-CG1 3.06Å; S503-I507 PolarHBondContact O-N 2.99Å; D504-I507 PolarHBondContact O-N 3.36Å; I505-I507 VanDerWaalsContact C-N 3.3Å; I505-I507 PolarHBondContact O-N 3.18Å; I507-L509 VanDerWaalsContact C-N 3.35Å; I507-L509 PolarHBondContact O-N 3.46Å; I507-L510 PolarHBondContact O-N 2.89Å; I507-S511 WeakPolarHBondContact O-CB 3.33Å; I507-S511 PolarHBondContact O-N 2.96Å |
| 508 | C | 75.1 | Confident | 71.7 | Confident | 9 Ų | 9 | 22.1 Ų | 22.1 | 6% | 0.061 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 178.1 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | N477 L479 D504 I505 S511 C512 | N477-C508 PolarHBondContact ND2-O 2.83Å; N477-C508 VanDerWaalsContact OD1-CB 3.27Å; N477-C508 WeakPolarHBondContact OD1-CB 3.47Å; N477-C508 PolarHBondContact OD1-SG 2.95Å; L479-C508 HydrophobicContact CB-CB 4.32Å; L479-C508 HydrophobicContact CD1-CB 3.4Å; L479-C508 HydrophobicContact CG-CB 3.52Å; D504-C508 WeakPolarHBondContact O-CB 3.41Å; D504-C508 PolarHBondContact O-N 3.16Å; D504-C508 PolarHBondContact O-SG 3.06Å; I505-C508 PolarHBondContact O-N 2.74Å; I505-C508 VanDerWaalsContact O-N 3.13Å; C508-S511 WeakPolarHBondContact O-CB 3.27Å; C508-S511 PolarHBondContact O-N 2.92Å; C508-C512 PolarHBondContact O-N 3.36Å; C508-C512 PolarHBondContact O-SG 3.29Å; C508-C512 VanDerWaalsContact O-SG 3.37Å |
| 509 | L | 76.1 | Confident | 74 | Confident | 8 Ų | 8 | 19.7 Ų | 19.7 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 174.3 | -71.6 | 176 | 0 | 0 | 0 | 111.6 | L479 I505 I507 S511 C512 A513 L589 V603 | L479-L509 HydrophobicContact CD1-CD2 3.89Å; L479-L509 HydrophobicContact CD1-CG 4.11Å; I505-L509 HydrophobicContact CG2-CD1 4Å; I505-L509 HydrophobicContact CG2-CG 4.18Å; I505-L509 WeakPolarHBondContact O-CB 3.3Å; I505-L509 WeakPolarHBondContact O-CG 3.45Å; I505-L509 PolarHBondContact O-N 2.83Å; I507-L509 VanDerWaalsContact C-N 3.35Å; I507-L509 PolarHBondContact O-N 3.46Å; L509-S511 VanDerWaalsContact C-N 3.32Å; L509-S511 PolarHBondContact O-N 2.83Å; L509-C512 WeakPolarHBondContact O-CB 3.47Å; L509-C512 PolarHBondContact O-N 3.31Å; L509-A513 PolarHBondContact O-N 3.23Å; L509-L589 HydrophobicContact CD2-CD1 4.11Å; L509-L589 HydrophobicContact CD2-CD2 3.95Å; L509-L589 HydrophobicContact CD2-CG 4.2Å; L509-V603 HydrophobicContact CD1-CG1 3.92Å |
| 510 | L | 76.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.7 | -175 | 63.7 | 0 | 0 | 0 | 111.7 | S418 I421 Q425 D506 I507 A513 L514 L604 | S418-L510 WeakPolarHBondContact O-CD2 3.49Å; I421-L510 HydrophobicContact CB-CD2 3.82Å; I421-L510 HydrophobicContact CB-CG 4.04Å; I421-L510 HydrophobicContact CD1-CD2 4.46Å; I421-L510 HydrophobicContact CG2-CD1 4.3Å; I421-L510 HydrophobicContact CG2-CD2 3.95Å; I421-L510 HydrophobicContact CG2-CG 3.56Å; Q425-L510 VanDerWaalsContact OE1-CD1 3.23Å; D506-L510 VanDerWaalsContact O-CB 3.25Å; D506-L510 WeakPolarHBondContact O-CB 3.48Å; D506-L510 PolarHBondContact O-N 2.65Å; I507-L510 PolarHBondContact O-N 2.89Å; L510-A513 PolarHBondContact O-N 2.98Å; L510-L514 WeakPolarHBondContact O-CB 3.32Å; L510-L514 PolarHBondContact O-N 3.06Å; L510-L604 HydrophobicContact CB-CB 4.4Å; L510-L604 HydrophobicContact CD1-CB 4.4Å |
| 511 | S | 82.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 173.1 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | H473 I507 C508 L509 A513 L514 S515 | H473-S511 WeakPolarHBondContact CB-OG 3.46Å; H473-S511 PolarHBondContact ND1-OG 2.61Å; H473-S511 PolarHBondContact O-OG 3.41Å; H473-S511 VanDerWaalsContact O-OG 3.13Å; I507-S511 WeakPolarHBondContact O-CB 3.33Å; I507-S511 PolarHBondContact O-N 2.96Å; C508-S511 WeakPolarHBondContact O-CB 3.27Å; C508-S511 PolarHBondContact O-N 2.92Å; L509-S511 VanDerWaalsContact C-N 3.32Å; L509-S511 PolarHBondContact O-N 2.83Å; S511-A513 VanDerWaalsContact C-N 3.33Å; S511-A513 PolarHBondContact O-N 2.68Å; S511-L514 PolarHBondContact O-N 3.01Å; S511-S515 PolarHBondContact O-N 2.68Å; S511-S515 PolarHBondContact O-OG 2.88Å |
| 512 | C | 84 | Confident | 79.6 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 173.8 | -76 | 0 | 0 | 0 | 0 | 111.9 | N477 C508 L509 S515 A516 L586 L589 | N477-C512 PolarHBondContact ND2-SG 3.1Å; C508-C512 PolarHBondContact O-N 3.36Å; C508-C512 PolarHBondContact O-SG 3.29Å; C508-C512 VanDerWaalsContact O-SG 3.37Å; L509-C512 WeakPolarHBondContact O-CB 3.47Å; L509-C512 PolarHBondContact O-N 3.31Å; C512-S515 WeakPolarHBondContact O-CB 3.37Å; C512-S515 PolarHBondContact O-N 3.24Å; C512-A516 PolarHBondContact O-N 3.27Å; C512-L586 HydrophobicContact CB-CD1 3.53Å; C512-L589 HydrophobicContact CB-CD2 4.29Å |
| 513 | A | 83.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.2 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L509 L510 S511 S515 A516 E517 G605 V606 T610 | L509-A513 PolarHBondContact O-N 3.23Å; L510-A513 PolarHBondContact O-N 2.98Å; S511-A513 VanDerWaalsContact C-N 3.33Å; S511-A513 PolarHBondContact O-N 2.68Å; A513-S515 VanDerWaalsContact C-N 3.3Å; A513-S515 PolarHBondContact O-N 2.8Å; A513-A516 PolarHBondContact O-N 3.26Å; A513-E517 WeakPolarHBondContact O-CG 3.47Å; A513-E517 PolarHBondContact O-N 3.37Å; A513-G605 WeakPolarHBondContact CB-O 3.43Å; A513-V606 HydrophobicContact CB-CG2 4.2Å; A513-T610 HydrophobicContact CB-CG2 3.92Å |
| 514 | L | 88 | Confident | 83.2 | Confident | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 172.7 | 173 | 62 | 0 | 0 | 0 | 110.9 | I421 I424 Q425 I428 L469 H473 L510 S511 A516 E517 S518 | I421-L514 HydrophobicContact CG2-CB 3.91Å; I421-L514 HydrophobicContact CG2-CD2 3.77Å; I421-L514 HydrophobicContact CG2-CG 4.39Å; I424-L514 HydrophobicContact CB-CD1 4.23Å; I424-L514 HydrophobicContact CB-CD2 4.42Å; I424-L514 HydrophobicContact CG2-CD1 3.56Å; I424-L514 HydrophobicContact CG2-CD2 4.02Å; I424-L514 HydrophobicContact CG2-CG 4.46Å; Q425-L514 HydrophobicContact CG-CB 4.1Å; Q425-L514 HydrophobicContact CG-CD1 3.79Å; I428-L514 HydrophobicContact CD1-CD1 3.41Å; I428-L514 VanDerWaalsContact CD1-CD1 3.41Å; L469-L514 HydrophobicContact CD1-CD2 4.45Å; L469-L514 HydrophobicContact CD2-CD1 4.26Å; L469-L514 HydrophobicContact CD2-CD2 4.31Å; L469-L514 HydrophobicContact CD2-CG 4.43Å; L469-L514 HydrophobicContact CG-CD2 4.43Å; H473-L514 VanDerWaalsContact NE2-CD2 3.32Å; H473-L514 WeakPolarHBondContact NE2-CD2 3.48Å; L510-L514 WeakPolarHBondContact O-CB 3.32Å; L510-L514 PolarHBondContact O-N 3.06Å; S511-L514 PolarHBondContact O-N 3.01Å; L514-A516 PolarHBondContact O-N 3.19Å; L514-E517 PolarHBondContact O-N 3.06Å; L514-S518 VanDerWaalsContact O-CB 3.31Å; L514-S518 WeakPolarHBondContact O-CB 3.48Å; L514-S518 PolarHBondContact O-N 3.48Å; L514-S518 PolarHBondContact O-OG 2.94Å |
| 515 | S | 90.5 | Very high | 84.5 | Confident | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.007 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 175.8 | -64 | 0 | 0 | 0 | 0 | 111.5 | H473 S511 C512 A513 E517 S518 I519 | H473-S515 WeakPolarHBondContact CB-OG 3.32Å; S511-S515 PolarHBondContact O-N 2.68Å; S511-S515 PolarHBondContact O-OG 2.88Å; C512-S515 WeakPolarHBondContact O-CB 3.37Å; C512-S515 PolarHBondContact O-N 3.24Å; A513-S515 VanDerWaalsContact C-N 3.3Å; A513-S515 PolarHBondContact O-N 2.8Å; S515-E517 PolarHBondContact O-N 3.4Å; S515-S518 WeakPolarHBondContact O-CB 3.31Å; S515-S518 PolarHBondContact O-N 3.47Å; S515-I519 VanDerWaalsContact O-CG1 3.24Å; S515-I519 WeakPolarHBondContact O-CG1 3.26Å; S515-I519 PolarHBondContact O-N 2.7Å |
| 516 | A | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C512 A513 L514 S518 I519 G520 C590 T610 V614 | C512-A516 PolarHBondContact O-N 3.27Å; A513-A516 PolarHBondContact O-N 3.26Å; L514-A516 PolarHBondContact O-N 3.19Å; A516-S518 VanDerWaalsContact C-N 3.33Å; A516-S518 PolarHBondContact O-N 3.38Å; A516-I519 PolarHBondContact O-N 3.31Å; A516-G520 PolarHBondContact O-N 3.06Å; A516-C590 HydrophobicContact CB-CB 4.43Å; A516-T610 HydrophobicContact CB-CG2 3.84Å; A516-V614 HydrophobicContact CB-CG2 4.12Å |
| 517 | E | 90.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -66.6 | -35.3 | 177.2 | -69.4 | -170.1 | -156.6 | 0 | 0 | 112 | I428 R429 K432 A513 L514 S515 G520 L521 T610 | I428-E517 HydrophobicContact CG2-CB 4.19Å; R429-E517 IonicContact CZ-OE1 3.83Å; R429-E517 IonicContact CZ-OE2 3.35Å; R429-E517 IonicContact NE-OE1 2.82Å; R429-E517 IonicContact NE-OE2 2.95Å; R429-E517 PolarHBondContact NE-OE2 3.21Å; R429-E517 IonicContact NH2-OE1 2.76Å; R429-E517 PolarHBondContact NH2-OE1 3.38Å; R429-E517 IonicContact NH2-OE2 2.75Å; R429-E517 PolarHBondContact NH2-OE2 3.04Å; K432-E517 WeakPolarHBondContact CE-O 3.49Å; K432-E517 PolarHBondContact NZ-O 3.36Å; A513-E517 WeakPolarHBondContact O-CG 3.47Å; A513-E517 PolarHBondContact O-N 3.37Å; L514-E517 PolarHBondContact O-N 3.06Å; S515-E517 PolarHBondContact O-N 3.4Å; E517-G520 PolarHBondContact O-N 2.94Å; E517-L521 PolarHBondContact O-N 3.21Å; E517-T610 HydrophobicContact CG-CG2 4.21Å; E517-T610 PolarHBondContact OE1-OG1 3.47Å |
| 518 | S | 93.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.007 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.9 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | I428 V470 L514 S515 A516 G520 L521 L522 | I428-S518 VanDerWaalsContact CD1-OG 3.27Å; I428-S518 WeakPolarHBondContact CD1-OG 3.45Å; V470-S518 VanDerWaalsContact CG2-CB 3.48Å; L514-S518 VanDerWaalsContact O-CB 3.31Å; L514-S518 WeakPolarHBondContact O-CB 3.48Å; L514-S518 PolarHBondContact O-N 3.48Å; L514-S518 PolarHBondContact O-OG 2.94Å; S515-S518 WeakPolarHBondContact O-CB 3.31Å; S515-S518 PolarHBondContact O-N 3.47Å; A516-S518 VanDerWaalsContact C-N 3.33Å; A516-S518 PolarHBondContact O-N 3.38Å; S518-G520 VanDerWaalsContact C-N 3.32Å; S518-L521 PolarHBondContact O-N 3.42Å; S518-L522 PolarHBondContact O-N 2.62Å |
| 519 | I | 94.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.2 | -60 | 167.2 | 0 | 0 | 0 | 109.9 | V470 S515 A516 L521 L522 F523 L574 L577 M583 L586 L617 | V470-I519 HydrophobicContact CG1-CD1 4.08Å; V470-I519 HydrophobicContact CG1-CG1 4.21Å; V470-I519 HydrophobicContact CG2-CG1 3.91Å; S515-I519 VanDerWaalsContact O-CG1 3.24Å; S515-I519 WeakPolarHBondContact O-CG1 3.26Å; S515-I519 PolarHBondContact O-N 2.7Å; A516-I519 PolarHBondContact O-N 3.31Å; I519-L521 VanDerWaalsContact C-N 3.35Å; I519-L521 PolarHBondContact O-N 2.91Å; I519-L522 PolarHBondContact O-N 2.89Å; I519-F523 PolarHBondContact O-N 3.37Å; I519-L574 HydrophobicContact CG2-CD1 3.75Å; I519-L577 HydrophobicContact CG1-CD1 4.09Å; I519-M583 HydrophobicContact CD1-CE 3.53Å; I519-M583 HydrophobicContact CD1-SD 3.74Å; I519-L586 HydrophobicContact CD1-CD2 4.37Å; I519-L617 HydrophobicContact CB-CD1 3.96Å; I519-L617 HydrophobicContact CG2-CD1 3.61Å; I519-L617 HydrophobicContact CG2-CD2 3.66Å; I519-L617 HydrophobicContact CG2-CG 4.29Å |
| 520 | G | 92.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.6 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A516 E517 S518 F523 Q524 | A516-G520 PolarHBondContact O-N 3.06Å; E517-G520 PolarHBondContact O-N 2.94Å; S518-G520 VanDerWaalsContact C-N 3.32Å; G520-F523 PolarHBondContact O-N 2.94Å; G520-Q524 PolarHBondContact O-N 3.35Å; G520-Q524 VanDerWaalsContact O-N 3.08Å |
| 521 | L | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 174.3 | 177.2 | 57.5 | 0 | 0 | 0 | 111.4 | I428 L431 K432 L435 L462 L466 E517 S518 I519 F523 Q524 C525 | I428-L521 HydrophobicContact CB-CD2 4.35Å; I428-L521 HydrophobicContact CG1-CD2 4.27Å; I428-L521 HydrophobicContact CG2-CB 4.06Å; I428-L521 HydrophobicContact CG2-CD2 3.97Å; L431-L521 HydrophobicContact CB-CD1 4.08Å; L431-L521 HydrophobicContact CB-CD2 3.92Å; L431-L521 HydrophobicContact CD1-CD2 3.87Å; K432-L521 HydrophobicContact CG-CB 4.3Å; K432-L521 HydrophobicContact CG-CD1 3.69Å; L435-L521 HydrophobicContact CD1-CD1 3.41Å; L435-L521 VanDerWaalsContact CD1-CD1 3.41Å; L462-L521 HydrophobicContact CD1-CD2 4.43Å; L462-L521 HydrophobicContact CD2-CD2 4.37Å; L466-L521 HydrophobicContact CD1-CB 4.13Å; L466-L521 HydrophobicContact CD1-CD2 3.78Å; L466-L521 HydrophobicContact CD1-CG 3.81Å; L466-L521 HydrophobicContact CD2-CD2 4.17Å; E517-L521 PolarHBondContact O-N 3.21Å; S518-L521 PolarHBondContact O-N 3.42Å; I519-L521 VanDerWaalsContact C-N 3.35Å; I519-L521 PolarHBondContact O-N 2.91Å; L521-F523 VanDerWaalsContact C-N 3.26Å; L521-F523 PolarHBondContact O-N 2.93Å; L521-Q524 PolarHBondContact O-N 3.45Å; L521-C525 PolarHBondContact O-N 3.3Å; L521-C525 PolarHBondContact O-SG 2.84Å; L521-C525 VanDerWaalsContact O-SG 3.42Å |
| 522 | L | 93.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.4 | -38.2 | 176 | -177.4 | 63.6 | 0 | 0 | 0 | 111.8 | L466 S518 I519 C525 T526 C570 L573 L574 L577 | L466-L522 HydrophobicContact CD1-CB 4.38Å; S518-L522 PolarHBondContact O-N 2.62Å; I519-L522 PolarHBondContact O-N 2.89Å; L522-C525 PolarHBondContact O-N 3.34Å; L522-T526 PolarHBondContact O-N 2.87Å; L522-T526 PolarHBondContact O-OG1 3.28Å; L522-C570 HydrophobicContact CD1-CB 4.46Å; L522-L573 HydrophobicContact CD2-CB 4.15Å; L522-L574 HydrophobicContact CD2-CB 3.99Å; L522-L574 HydrophobicContact CD2-CD1 4.28Å; L522-L574 HydrophobicContact CG-CB 4.21Å; L522-L574 HydrophobicContact CG-CD1 4.4Å; L522-L577 HydrophobicContact CD2-CD1 3.86Å |
| 523 | F | 92.1 | Very high | 86 | Confident | 25 Ų | 25 | 15 Ų | 15 | 11% | 0.11 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.9 | -47.7 | 172.8 | 172.3 | -110.2 | 0 | 0 | 0 | 112.1 | I519 G520 L521 C525 T526 E527 L574 Q616 L617 V620 | I519-F523 PolarHBondContact O-N 3.37Å; G520-F523 PolarHBondContact O-N 2.94Å; L521-F523 VanDerWaalsContact C-N 3.26Å; L521-F523 PolarHBondContact O-N 2.93Å; F523-C525 VanDerWaalsContact C-N 3.35Å; F523-C525 PolarHBondContact O-N 2.99Å; F523-T526 CarbonylContact O-C 3.56Å; F523-T526 WeakPolarHBondContact O-CA 3.39Å; F523-T526 WeakPolarHBondContact O-CB 3.33Å; F523-T526 PolarHBondContact O-N 3.45Å; F523-E527 PolarHBondContact O-N 2.85Å; F523-L574 HydrophobicContact CB-CD1 4.28Å; F523-L574 HydrophobicContact CB-CD2 4.17Å; F523-L574 HydrophobicContact CD2-CD2 3.92Å; F523-Q616 HydrophobicContact CD1-CB 4.1Å; F523-Q616 HydrophobicContact CE1-CB 3.94Å; F523-L617 HydrophobicContact CB-CD2 3.63Å; F523-L617 HydrophobicContact CG-CD2 4.07Å; F523-V620 HydrophobicContact CD2-CG2 4.01Å; F523-V620 HydrophobicContact CE2-CB 4.47Å; F523-V620 HydrophobicContact CE2-CG2 3.33Å; F523-V620 HydrophobicContact CZ-CG2 3.94Å |
| 524 | Q | 89.2 | Confident | 84.9 | Confident | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.019 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | 176.8 | -72.4 | 178.4 | 5.3 | 0 | 0 | 113 | K432 L435 G520 L521 T526 E527 L528 Q616 | K432-Q524 VanDerWaalsContact CG-OE1 3.22Å; L435-Q524 HydrophobicContact CD1-CB 4.34Å; G520-Q524 PolarHBondContact O-N 3.35Å; G520-Q524 VanDerWaalsContact O-N 3.08Å; L521-Q524 PolarHBondContact O-N 3.45Å; Q524-T526 VanDerWaalsContact C-N 3.31Å; Q524-T526 PolarHBondContact O-N 3.06Å; Q524-E527 PolarHBondContact O-N 3.47Å; Q524-L528 WeakPolarHBondContact O-CB 3.4Å; Q524-L528 PolarHBondContact O-N 3.35Å; Q524-Q616 VanDerWaalsContact NE2-OE1 3.11Å |
| 525 | C | 89.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 171.2 | -70.4 | 0 | 0 | 0 | 0 | 111.4 | I459 L521 L522 F523 L529 | I459-C525 HydrophobicContact CG2-CB 4.25Å; L521-C525 PolarHBondContact O-N 3.3Å; L521-C525 PolarHBondContact O-SG 2.84Å; L521-C525 VanDerWaalsContact O-SG 3.42Å; L522-C525 PolarHBondContact O-N 3.34Å; F523-C525 VanDerWaalsContact C-N 3.35Å; F523-C525 PolarHBondContact O-N 2.99Å; C525-L529 WeakPolarHBondContact O-CB 3.38Å; C525-L529 VanDerWaalsContact O-CG 3.26Å; C525-L529 WeakPolarHBondContact O-CG 3.38Å; C525-L529 PolarHBondContact O-N 3.06Å |
| 526 | T | 87 | Confident | 81.1 | Confident | 17 Ų | 17 | 27.7 Ų | 27.7 | 10% | 0.104 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | 179.4 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | L522 F523 Q524 S530 | L522-T526 PolarHBondContact O-N 2.87Å; L522-T526 PolarHBondContact O-OG1 3.28Å; F523-T526 CarbonylContact O-C 3.56Å; F523-T526 WeakPolarHBondContact O-CA 3.39Å; F523-T526 WeakPolarHBondContact O-CB 3.33Å; F523-T526 PolarHBondContact O-N 3.45Å; Q524-T526 VanDerWaalsContact C-N 3.31Å; Q524-T526 PolarHBondContact O-N 3.06Å; T526-S530 VanDerWaalsContact O-CB 3.29Å; T526-S530 WeakPolarHBondContact O-CB 3.34Å; T526-S530 PolarHBondContact O-N 2.94Å; T526-S530 PolarHBondContact O-OG 3.16Å |
| 527 | E | 84.2 | Confident | 78.7 | Confident | 90 Ų | 90 | 32.8 Ų | 32.8 | 42% | 0.421 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.9 | -47 | 176.1 | -172.7 | 178.6 | -168.1 | 0 | 0 | 111.6 | F523 Q524 L529 S530 S531 | F523-E527 PolarHBondContact O-N 2.85Å; Q524-E527 PolarHBondContact O-N 3.47Å; E527-L529 PolarHBondContact O-N 3.25Å; E527-S530 PolarHBondContact O-N 2.96Å; E527-S531 PolarHBondContact O-N 3.12Å |
| 528 | L | 83.2 | Confident | 76.3 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.5 | -52.3 | 175.6 | 179.2 | 68 | 0 | 0 | 0 | 110.9 | L435 Q439 L450 Q524 S530 S531 C532 | L435-L528 HydrophobicContact CD2-CD2 3.61Å; Q439-L528 HydrophobicContact CG-CD1 3.83Å; L450-L528 HydrophobicContact CD2-CD2 4.39Å; L450-L528 HydrophobicContact CD2-CG 4.41Å; Q524-L528 WeakPolarHBondContact O-CB 3.4Å; Q524-L528 PolarHBondContact O-N 3.35Å; L528-S530 VanDerWaalsContact C-N 3.32Å; L528-S530 PolarHBondContact O-N 3.21Å; L528-S531 PolarHBondContact O-N 2.97Å; L528-S531 PolarHBondContact O-OG 2.9Å; L528-C532 PolarHBondContact O-N 3.47Å; L528-C532 PolarHBondContact O-SG 2.95Å; L528-C532 VanDerWaalsContact O-SG 3.35Å |
| 529 | L | 82.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -38.4 | -179.7 | -70.4 | 170.2 | 0 | 0 | 0 | 112.7 | L456 I459 C525 E527 S531 C532 A533 T563 I566 A567 C570 | L456-L529 HydrophobicContact CD2-CD2 3.59Å; I459-L529 HydrophobicContact CD1-CD2 4.02Å; I459-L529 HydrophobicContact CD1-CG 4.32Å; I459-L529 HydrophobicContact CG2-CD1 3.87Å; C525-L529 WeakPolarHBondContact O-CB 3.38Å; C525-L529 VanDerWaalsContact O-CG 3.26Å; C525-L529 WeakPolarHBondContact O-CG 3.38Å; C525-L529 PolarHBondContact O-N 3.06Å; E527-L529 PolarHBondContact O-N 3.25Å; L529-S531 VanDerWaalsContact C-N 3.29Å; L529-S531 PolarHBondContact O-N 3.31Å; L529-C532 PolarHBondContact O-N 3.08Å; L529-A533 PolarHBondContact O-N 3.14Å; L529-T563 HydrophobicContact CD2-CG2 4.06Å; L529-I566 HydrophobicContact CD1-CB 4.45Å; L529-I566 HydrophobicContact CD1-CG2 3.64Å; L529-I566 HydrophobicContact CD2-CG2 4.4Å; L529-A567 HydrophobicContact CB-CB 3.86Å; L529-A567 HydrophobicContact CD1-CB 4.47Å; L529-C570 HydrophobicContact CD1-CB 4.37Å |
| 530 | S | 78.1 | Confident | 70.9 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.1 | -32.9 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | T526 E527 L528 | T526-S530 VanDerWaalsContact O-CB 3.29Å; T526-S530 WeakPolarHBondContact O-CB 3.34Å; T526-S530 PolarHBondContact O-N 2.94Å; T526-S530 PolarHBondContact O-OG 3.16Å; E527-S530 PolarHBondContact O-N 2.96Å; L528-S530 VanDerWaalsContact C-N 3.32Å; L528-S530 PolarHBondContact O-N 3.21Å |
| 531 | S | 74.5 | Confident | 68.3 | Low | 81 Ų | 81 | 59.8 Ų | 59.8 | 57% | 0.566 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.6 | -33.5 | 174.7 | 77.2 | 0 | 0 | 0 | 0 | 112.9 | E527 L528 L529 | E527-S531 PolarHBondContact O-N 3.12Å; L528-S531 PolarHBondContact O-N 2.97Å; L528-S531 PolarHBondContact O-OG 2.9Å; L529-S531 VanDerWaalsContact C-N 3.29Å; L529-S531 PolarHBondContact O-N 3.31Å |
| 532 | C | 69 | Low | 65.6 | Low | 41 Ų | 41 | 66.1 Ų | 66.1 | 28% | 0.277 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -81.6 | -32.9 | 179.8 | -62 | 0 | 0 | 0 | 0 | 113.3 | L450 L528 L529 | L450-C532 HydrophobicContact CD2-CB 4.45Å; L528-C532 PolarHBondContact O-N 3.47Å; L528-C532 PolarHBondContact O-SG 2.95Å; L528-C532 VanDerWaalsContact O-SG 3.35Å; L529-C532 PolarHBondContact O-N 3.08Å |
| 533 | A | 66.3 | Low | 62.8 | Low | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -139.3 | 85.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L529 I535 L560 T563 Q564 | L529-A533 PolarHBondContact O-N 3.14Å; A533-I535 PolarHBondContact O-N 3.28Å; A533-L560 HydrophobicContact CB-CD1 3.79Å; A533-T563 HydrophobicContact CB-CG2 3.76Å; A533-Q564 HydrophobicContact CB-CG 3.86Å |
| 534 | P | 60.3 | Low | 59.9 | Low | 90 Ų | 90 | 77.2 Ų | 77.2 | 58% | 0.584 | 44% | 0.437 | S | S | * | . | trans | -58.3 | 127.3 | 177.4 | 22.9 | -31.7 | 0 | 0 | 0 | 109.4 | T536 Q564 | P534-T536 PolarHBondContact O-N 2.91Å; P534-Q564 PolarHBondContact O-NE2 3.25Å | ||
| 535 | I | 54 | Low | 57.4 | Low | 86 Ų | 86 | 83.3 Ų | 83.3 | 44% | 0.441 | 47% | 0.474 | S | S | . | . | trans | -70.6 | 103.6 | 178.1 | -56.8 | 171.3 | 0 | 0 | 0 | 106.6 | A533 R568 | A533-I535 PolarHBondContact O-N 3.28Å; I535-R568 HydrophobicContact CD1-CG 4.47Å | ||
| 536 | T | 44.9 | Very low | 54.9 | Low | 90 Ų | 90 | 92.1 Ų | 92.1 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | trans | -66.1 | 134.6 | 169.8 | 45.3 | 0 | 0 | 0 | 0 | 108.9 | P534 | P534-T536 PolarHBondContact O-N 2.91Š| ||
| 537 | T | 39.4 | Very low | 52.3 | Low | 107 Ų | 107 | 99.6 Ų | 99.6 | 66% | 0.656 | 56% | 0.555 | S | S | * | * | trans | -55.1 | 148.5 | -179.8 | 39.2 | 0 | 0 | 0 | 0 | 111.6 | D539 | T537-D539 PolarHBondContact O-N 3.3Š| ||
| 538 | Q | 41.6 | Very low | 50.1 | Low | 153 Ų | 153 | 100.8 Ų | 100.8 | 72% | 0.715 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 13.6 | -176.7 | -99.8 | 174.4 | -37.4 | 0 | 0 | 117.2 | ||
| 539 | D | 36.5 | Very low | 47.8 | Very low | 136 Ų | 136 | 106.3 Ų | 106.3 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -9.7 | -176.9 | -74.7 | -31.2 | 0 | 0 | 0 | 114.5 | T537 | T537-D539 PolarHBondContact O-N 3.3Š|
| 540 | D | 36.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 112.7 Ų | 112.7 | 65% | 0.647 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -93.1 | -2.1 | -178.4 | -79.2 | -29.2 | 0 | 0 | 0 | 115 | V542 | D540-V542 VanDerWaalsContact C-N 3.29Å; D540-V542 PolarHBondContact O-N 2.87Å |
| 541 | E | 37.1 | Very low | 43.5 | Very low | 159 Ų | 159 | 119.6 Ų | 119.6 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 2.8 | -178.5 | -101.3 | -177.4 | 168.3 | 0 | 0 | 115 | ||
| 542 | V | 37.4 | Very low | 41.9 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 0.1 | -175.4 | -172.5 | 0 | 0 | 0 | 0 | 114.3 | D540 | D540-V542 VanDerWaalsContact C-N 3.29Å; D540-V542 PolarHBondContact O-N 2.87Å |
| 543 | S | 34.5 | Very low | 40.5 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | trans | -106.1 | 10.5 | -172.9 | -60.1 | 0 | 0 | 0 | 0 | 116.6 | T545 | S543-T545 PolarHBondContact O-N 2.81Å; S543-T545 VanDerWaalsContact O-N 3.15Å | ||
| 544 | L | 33 | Very low | 39.2 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -90.1 | 68.8 | -177 | -76.9 | 159.8 | 0 | 0 | 0 | 113.2 | ||||
| 545 | T | 35.3 | Very low | 38.5 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | -138.2 | 56.6 | 161.1 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | S543 | S543-T545 PolarHBondContact O-N 2.81Å; S543-T545 VanDerWaalsContact O-N 3.15Å | ||
| 546 | Q | 37.9 | Very low | 38.3 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -144.5 | 107.2 | 160.6 | -77.9 | -165.5 | -17.9 | 0 | 0 | 110.6 | T548 | Q546-T548 PolarHBondContact O-N 2.99Š| ||
| 547 | D | 31.5 | Very low | 38.7 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 93% | 0.93 | 72% | 0.723 | S | S | * | * | trans | -59.6 | 114.8 | 170.7 | -74 | -48.3 | 0 | 0 | 0 | 111 | ||||
| 548 | T | 38.1 | Very low | 39.7 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -139.1 | 126.9 | 156.7 | 12.5 | 0 | 0 | 0 | 0 | 110.3 | Q546 I550 | Q546-T548 PolarHBondContact O-N 2.99Å; T548-I550 PolarHBondContact O-N 3.25Å | ||
| 549 | P | 34.3 | Very low | 40.8 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | -87.4 | 102.2 | -175.2 | 33.4 | -29.7 | 0 | 0 | 0 | 109.8 | ||||
| 550 | I | 38.4 | Very low | 42.4 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | trans | -107.1 | 97.5 | 168.1 | -57.1 | 179.1 | 0 | 0 | 0 | 108.7 | T548 S552 | T548-I550 PolarHBondContact O-N 3.25Å; I550-S552 PolarHBondContact O-N 2.99Å | ||
| 551 | K | 32.6 | Very low | 44.2 | Very low | 197 Ų | 197 | 127 Ų | 127 | 86% | 0.857 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 99.1 | 171.5 | -71 | 175.5 | 175.1 | 177.9 | 0 | 109.3 | ||
| 552 | S | 40 | Very low | 46.2 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.9 | -9.7 | 147.7 | 35.9 | 0 | 0 | 0 | 0 | 116.4 | I550 | I550-S552 PolarHBondContact O-N 2.99Š|
| 553 | N | 41 | Very low | 48 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 54% | 0.54 | 63% | 0.627 | S | S | . | * | trans | -109.6 | 8.5 | -172.3 | -82.2 | 0 | 0 | 0 | 0 | 117.1 | H555 L556 | N553-H555 VanDerWaalsContact C-N 3.3Å; N553-H555 PolarHBondContact O-N 3.44Å; N553-L556 PolarHBondContact O-N 3.14Å | ||
| 554 | H | 39.1 | Very low | 50.1 | Low | 146 Ų | 146 | 115.3 Ų | 115.3 | 68% | 0.676 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.6 | -22.8 | -171.4 | -84.3 | -54.1 | 0 | 0 | 0 | 116.1 | T558 | H554-T558 PolarHBondContact O-OG1 3.38Å |
| 555 | H | 45.3 | Very low | 52.5 | Low | 159 Ų | 159 | 112.6 Ų | 112.6 | 74% | 0.736 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.6 | -48 | 178.1 | -92.5 | -71.1 | 0 | 0 | 0 | 112.4 | N553 D557 T558 D559 | N553-H555 VanDerWaalsContact C-N 3.3Å; N553-H555 PolarHBondContact O-N 3.44Å; H555-D557 PolarHBondContact O-N 3.44Å; H555-T558 WeakPolarHBondContact O-CB 3.41Å; H555-T558 PolarHBondContact O-N 2.7Å; H555-D559 PolarHBondContact O-N 2.95Å |
| 556 | L | 49.2 | Very low | 54.9 | Low | 104 Ų | 104 | 106.6 Ų | 106.6 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.1 | -39.3 | -178.9 | -81 | 144.2 | 0 | 0 | 0 | 113.4 | L448 N553 T558 D559 L560 | L448-L556 HydrophobicContact CD2-CD2 4.31Å; N553-L556 PolarHBondContact O-N 3.14Å; L556-T558 PolarHBondContact O-N 2.88Å; L556-D559 PolarHBondContact O-N 3.43Å; L556-L560 WeakPolarHBondContact O-CB 3.4Å; L556-L560 PolarHBondContact O-N 2.83Å; L556-L560 VanDerWaalsContact O-N 3.12Å |
| 557 | D | 54.4 | Low | 57.1 | Low | 93 Ų | 93 | 98 Ų | 98 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -27.5 | 176.9 | -84.4 | -18.1 | 0 | 0 | 0 | 112.8 | H555 K561 | H555-D557 PolarHBondContact O-N 3.44Å; D557-K561 VanDerWaalsContact O-CG 3.32Å; D557-K561 WeakPolarHBondContact O-CG 3.48Å; D557-K561 PolarHBondContact O-N 3.03Å |
| 558 | T | 58.9 | Low | 59.6 | Low | 85 Ų | 85 | 95.3 Ų | 95.3 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.6 | -42.2 | -179.4 | -46.2 | 0 | 0 | 0 | 0 | 110.5 | H554 H555 L556 K561 F562 | H554-T558 PolarHBondContact O-OG1 3.38Å; H555-T558 WeakPolarHBondContact O-CB 3.41Å; H555-T558 PolarHBondContact O-N 2.7Å; L556-T558 PolarHBondContact O-N 2.88Å; T558-K561 PolarHBondContact O-N 3.13Å; T558-F562 WeakPolarHBondContact O-CB 3.38Å; T558-F562 PolarHBondContact O-N 3.05Å |
| 559 | D | 65 | Low | 61.9 | Low | 61 Ų | 61 | 93.6 Ų | 93.6 | 33% | 0.326 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.2 | -34.4 | -179.3 | -60.4 | -28.1 | 0 | 0 | 0 | 112.2 | T451 H555 L556 F562 T563 | T451-D559 HydrophobicContact CG2-CB 4.42Å; H555-D559 PolarHBondContact O-N 2.95Å; L556-D559 PolarHBondContact O-N 3.43Å; D559-F562 PolarHBondContact O-N 3.32Å; D559-T563 WeakPolarHBondContact O-CB 3.41Å; D559-T563 PolarHBondContact O-N 3.35Å; D559-T563 PolarHBondContact O-OG1 3.34Å |
| 560 | L | 70.7 | Confident | 64.5 | Low | 74 Ų | 74 | 87.9 Ų | 87.9 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 174.1 | -173.8 | 65.2 | 0 | 0 | 0 | 111.8 | A533 L556 F562 T563 Q564 | A533-L560 HydrophobicContact CB-CD1 3.79Å; L556-L560 WeakPolarHBondContact O-CB 3.4Å; L556-L560 PolarHBondContact O-N 2.83Å; L556-L560 VanDerWaalsContact O-N 3.12Å; L560-F562 VanDerWaalsContact C-N 3.31Å; L560-F562 PolarHBondContact O-N 3.37Å; L560-T563 PolarHBondContact O-N 3.19Å; L560-Q564 WeakPolarHBondContact O-CG 3.19Å; L560-Q564 PolarHBondContact O-N 3.11Å |
| 561 | K | 74.7 | Confident | 66.8 | Low | 134 Ų | 134 | 82.7 Ų | 82.7 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.1 | -39 | 175.4 | -76 | 179.9 | -178.4 | -175.9 | 0 | 112 | D557 T558 Q564 N565 | D557-K561 VanDerWaalsContact O-CG 3.32Å; D557-K561 WeakPolarHBondContact O-CG 3.48Å; D557-K561 PolarHBondContact O-N 3.03Å; T558-K561 PolarHBondContact O-N 3.13Å; K561-Q564 PolarHBondContact O-N 2.87Å; K561-N565 WeakPolarHBondContact O-CB 3.3Å; K561-N565 VanDerWaalsContact O-CG 3.25Å; K561-N565 PolarHBondContact O-N 3.23Å; K561-N565 PolarHBondContact O-ND2 3.42Å |
| 562 | F | 78.1 | Confident | 69.5 | Low | 103 Ų | 103 | 80.9 Ų | 80.9 | 45% | 0.452 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 174.2 | 179.9 | -107.1 | 0 | 0 | 0 | 111.3 | L456 T558 D559 L560 Q564 N565 I566 | L456-F562 HydrophobicContact CB-CE1 4.47Å; T558-F562 WeakPolarHBondContact O-CB 3.38Å; T558-F562 PolarHBondContact O-N 3.05Å; D559-F562 PolarHBondContact O-N 3.32Å; L560-F562 VanDerWaalsContact C-N 3.31Å; L560-F562 PolarHBondContact O-N 3.37Å; F562-Q564 PolarHBondContact O-N 3.35Å; F562-N565 WeakPolarHBondContact O-CB 3.28Å; F562-N565 PolarHBondContact O-N 3.18Å; F562-I566 HydrophobicContact CD1-CD1 3.79Å; F562-I566 HydrophobicContact CE1-CD1 3.32Å; F562-I566 HydrophobicContact CE1-CG1 4.44Å; F562-I566 HydrophobicContact CE2-CD1 4.2Å; F562-I566 HydrophobicContact CG-CD1 4.42Å; F562-I566 HydrophobicContact CZ-CD1 3.56Å; F562-I566 HydrophobicContact CZ-CG1 4.41Å; F562-I566 WeakPolarHBondContact O-CG1 3.37Å; F562-I566 PolarHBondContact O-N 2.96Å |
| 563 | T | 75.9 | Confident | 72 | Confident | 3 Ų | 3 | 76.9 Ų | 76.9 | 2% | 0.018 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.8 | -53.5 | 0 | 0 | 0 | 0 | 112 | L456 L529 A533 D559 L560 N565 I566 A567 | L456-T563 HydrophobicContact CD2-CG2 4.21Å; L529-T563 HydrophobicContact CD2-CG2 4.06Å; A533-T563 HydrophobicContact CB-CG2 3.76Å; D559-T563 WeakPolarHBondContact O-CB 3.41Å; D559-T563 PolarHBondContact O-N 3.35Å; D559-T563 PolarHBondContact O-OG1 3.34Å; L560-T563 PolarHBondContact O-N 3.19Å; T563-N565 VanDerWaalsContact C-N 3.34Å; T563-N565 PolarHBondContact O-N 3.3Å; T563-I566 PolarHBondContact O-N 3.06Å; T563-A567 WeakPolarHBondContact O-CB 3.15Å; T563-A567 PolarHBondContact O-N 3.46Å |
| 564 | Q | 79.7 | Confident | 74.4 | Confident | 41 Ų | 41 | 72.5 Ų | 72.5 | 19% | 0.192 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 175.4 | -72.9 | 177.3 | -22.7 | 0 | 0 | 112.6 | A533 P534 L560 K561 F562 A567 R568 | A533-Q564 HydrophobicContact CB-CG 3.86Å; P534-Q564 PolarHBondContact O-NE2 3.25Å; L560-Q564 WeakPolarHBondContact O-CG 3.19Å; L560-Q564 PolarHBondContact O-N 3.11Å; K561-Q564 PolarHBondContact O-N 2.87Å; F562-Q564 PolarHBondContact O-N 3.35Å; Q564-A567 PolarHBondContact O-N 2.86Å; Q564-R568 WeakPolarHBondContact O-CG 3.29Å; Q564-R568 PolarHBondContact O-N 3.38Å |
| 565 | N | 83.4 | Confident | 76.9 | Confident | 100 Ų | 100 | 69.8 Ų | 69.8 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 175.9 | -74.9 | -24.6 | 0 | 0 | 0 | 111.8 | K561 F562 T563 R568 Q569 | K561-N565 WeakPolarHBondContact O-CB 3.3Å; K561-N565 VanDerWaalsContact O-CG 3.25Å; K561-N565 PolarHBondContact O-N 3.23Å; K561-N565 PolarHBondContact O-ND2 3.42Å; F562-N565 WeakPolarHBondContact O-CB 3.28Å; F562-N565 PolarHBondContact O-N 3.18Å; T563-N565 VanDerWaalsContact C-N 3.34Å; T563-N565 PolarHBondContact O-N 3.3Å; N565-R568 PolarHBondContact O-N 2.95Å; N565-Q569 PolarHBondContact O-N 3.34Å |
| 566 | I | 84.1 | Confident | 79.1 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 174.9 | -62.2 | 171.9 | 0 | 0 | 0 | 110.5 | L456 I459 P460 L529 F562 T563 R568 Q569 C570 | L456-I566 WeakPolarHBondContact O-CD1 3.35Å; I459-I566 HydrophobicContact CB-CG2 4.46Å; I459-I566 HydrophobicContact CG2-CG2 4.1Å; P460-I566 HydrophobicContact CG-CB 4.5Å; P460-I566 HydrophobicContact CG-CD1 3.93Å; P460-I566 HydrophobicContact CG-CG1 3.88Å; P460-I566 HydrophobicContact CG-CG2 3.83Å; L529-I566 HydrophobicContact CD1-CB 4.45Å; L529-I566 HydrophobicContact CD1-CG2 3.64Å; L529-I566 HydrophobicContact CD2-CG2 4.4Å; F562-I566 HydrophobicContact CD1-CD1 3.79Å; F562-I566 HydrophobicContact CE1-CD1 3.32Å; F562-I566 HydrophobicContact CE1-CG1 4.44Å; F562-I566 HydrophobicContact CE2-CD1 4.2Å; F562-I566 HydrophobicContact CG-CD1 4.42Å; F562-I566 HydrophobicContact CZ-CD1 3.56Å; F562-I566 HydrophobicContact CZ-CG1 4.41Å; F562-I566 WeakPolarHBondContact O-CG1 3.37Å; F562-I566 PolarHBondContact O-N 2.96Å; T563-I566 PolarHBondContact O-N 3.06Å; I566-R568 VanDerWaalsContact C-N 3.33Å; I566-R568 PolarHBondContact O-N 3.4Å; I566-Q569 PolarHBondContact O-N 3.48Å; I566-C570 PolarHBondContact O-N 2.86Å; I566-C570 PolarHBondContact O-SG 2.98Å |
| 567 | A | 84 | Confident | 81.2 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L529 T563 Q564 Q569 C570 G571 | L529-A567 HydrophobicContact CB-CB 3.86Å; L529-A567 HydrophobicContact CD1-CB 4.47Å; T563-A567 WeakPolarHBondContact O-CB 3.15Å; T563-A567 PolarHBondContact O-N 3.46Å; Q564-A567 PolarHBondContact O-N 2.86Å; A567-Q569 PolarHBondContact O-N 2.92Å; A567-C570 PolarHBondContact O-N 3.4Å; A567-G571 PolarHBondContact O-N 3.16Å |
| 568 | R | 85 | Confident | 82.9 | Confident | 119 Ų | 119 | 55.6 Ų | 55.6 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 174.9 | -78.6 | 178.5 | 135.1 | 156.9 | -1.6 | 112.5 | I535 Q564 N565 I566 G571 Y572 | I535-R568 HydrophobicContact CD1-CG 4.47Å; Q564-R568 WeakPolarHBondContact O-CG 3.29Å; Q564-R568 PolarHBondContact O-N 3.38Å; N565-R568 PolarHBondContact O-N 2.95Å; I566-R568 VanDerWaalsContact C-N 3.33Å; I566-R568 PolarHBondContact O-N 3.4Å; R568-G571 PolarHBondContact O-N 2.96Å; R568-Y572 WeakPolarHBondContact O-CB 3.49Å; R568-Y572 PolarHBondContact O-N 2.73Å |
| 569 | Q | 86.8 | Confident | 84.4 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 177.7 | -176.3 | 176.5 | 1.3 | 0 | 0 | 111.8 | N464 N565 I566 A567 Y572 L573 | N464-Q569 PolarHBondContact ND2-NE2 3.06Å; N565-Q569 PolarHBondContact O-N 3.34Å; I566-Q569 PolarHBondContact O-N 3.48Å; A567-Q569 PolarHBondContact O-N 2.92Å; Q569-Y572 PolarHBondContact O-N 3.01Å; Q569-L573 HydrophobicContact CG-CD1 4.4Å; Q569-L573 WeakPolarHBondContact O-CG 3.45Å; Q569-L573 PolarHBondContact O-N 3.01Å |
| 570 | C | 87.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | S463 L522 L529 I566 A567 Y572 L573 L574 | S463-C570 PolarHBondContact OG-SG 3.34Å; L522-C570 HydrophobicContact CD1-CB 4.46Å; L529-C570 HydrophobicContact CD1-CB 4.37Å; I566-C570 PolarHBondContact O-N 2.86Å; I566-C570 PolarHBondContact O-SG 2.98Å; A567-C570 PolarHBondContact O-N 3.4Å; C570-Y572 PolarHBondContact O-N 3.15Å; C570-L573 PolarHBondContact O-N 3.38Å; C570-L574 WeakPolarHBondContact O-CB 3.45Å; C570-L574 PolarHBondContact O-N 3.33Å |
| 571 | G | 87.5 | Confident | 86.5 | Confident | 24 Ų | 24 | 53 Ų | 53 | 25% | 0.247 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A567 R568 L574 Q575 | A567-G571 PolarHBondContact O-N 3.16Å; R568-G571 PolarHBondContact O-N 2.96Å; G571-L574 PolarHBondContact O-N 2.85Å; G571-Q575 WeakPolarHBondContact O-CB 3.49Å; G571-Q575 PolarHBondContact O-N 3.07Å |
| 572 | Y | 89.9 | Confident | 87.1 | Confident | 159 Ų | 159 | 47.5 Ų | 47.5 | 62% | 0.624 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63 | -44.4 | 175.3 | 177.5 | -93.4 | 0 | 0 | 0 | 112.4 | R568 Q569 C570 Q575 S576 | R568-Y572 WeakPolarHBondContact O-CB 3.49Å; R568-Y572 PolarHBondContact O-N 2.73Å; Q569-Y572 PolarHBondContact O-N 3.01Å; C570-Y572 PolarHBondContact O-N 3.15Å; Y572-Q575 PolarHBondContact O-N 2.91Å; Y572-S576 WeakPolarHBondContact O-CB 3.39Å; Y572-S576 PolarHBondContact O-N 3.3Å |
| 573 | L | 91.8 | Very high | 87.7 | Confident | 21 Ų | 21 | 42.7 Ų | 42.7 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 176.5 | -70.1 | 172.6 | 0 | 0 | 0 | 111.5 | C467 L522 Q569 C570 S576 L577 | C467-L573 HydrophobicContact CB-CD2 4.24Å; L522-L573 HydrophobicContact CD2-CB 4.15Å; Q569-L573 HydrophobicContact CG-CD1 4.4Å; Q569-L573 WeakPolarHBondContact O-CG 3.45Å; Q569-L573 PolarHBondContact O-N 3.01Å; C570-L573 PolarHBondContact O-N 3.38Å; L573-S576 PolarHBondContact O-N 3.17Å; L573-L577 WeakPolarHBondContact O-CG 3.23Å; L573-L577 PolarHBondContact O-N 3.34Å |
| 574 | L | 92.3 | Very high | 88.2 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -48 | 176.7 | 179.7 | 64.4 | 0 | 0 | 0 | 111.1 | I519 L522 F523 C570 G571 S576 L577 I578 L617 | I519-L574 HydrophobicContact CG2-CD1 3.75Å; L522-L574 HydrophobicContact CD2-CB 3.99Å; L522-L574 HydrophobicContact CD2-CD1 4.28Å; L522-L574 HydrophobicContact CG-CB 4.21Å; L522-L574 HydrophobicContact CG-CD1 4.4Å; F523-L574 HydrophobicContact CB-CD1 4.28Å; F523-L574 HydrophobicContact CB-CD2 4.17Å; F523-L574 HydrophobicContact CD2-CD2 3.92Å; C570-L574 WeakPolarHBondContact O-CB 3.45Å; C570-L574 PolarHBondContact O-N 3.33Å; G571-L574 PolarHBondContact O-N 2.85Å; L574-S576 PolarHBondContact O-N 2.89Å; L574-L577 PolarHBondContact O-N 3.23Å; L574-I578 HydrophobicContact CD1-CD1 4.02Å; L574-I578 HydrophobicContact CD1-CG1 4.45Å; L574-I578 HydrophobicContact CG-CD1 3.88Å; L574-I578 WeakPolarHBondContact O-CG1 3.32Å; L574-I578 PolarHBondContact O-N 3.47Å; L574-L617 HydrophobicContact CD1-CD2 4.23Å |
| 575 | Q | 90.7 | Very high | 88.4 | Confident | 90 Ų | 90 | 40.7 Ų | 40.7 | 42% | 0.421 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 175.7 | -178.5 | 176.4 | -5.3 | 0 | 0 | 110.9 | G571 Y572 L577 I578 E579 V624 | G571-Q575 WeakPolarHBondContact O-CB 3.49Å; G571-Q575 PolarHBondContact O-N 3.07Å; Y572-Q575 PolarHBondContact O-N 2.91Å; Q575-L577 VanDerWaalsContact C-N 3.25Å; Q575-L577 PolarHBondContact O-N 3.18Å; Q575-I578 PolarHBondContact O-N 3.37Å; Q575-I578 VanDerWaalsContact O-N 3.12Å; Q575-E579 HydrophobicContact CG-CG 4.13Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.25Å; Q575-E579 PolarHBondContact NE2-OE1 2.84Å; Q575-E579 WeakPolarHBondContact O-CB 3.42Å; Q575-E579 VanDerWaalsContact O-CG 3.29Å; Q575-E579 WeakPolarHBondContact O-CG 3.27Å; Q575-E579 PolarHBondContact O-N 2.77Å; Q575-V624 HydrophobicContact CG-CG1 4.26Å |
| 576 | S | 91.9 | Very high | 88.7 | Confident | 54 Ų | 54 | 36 Ų | 36 | 38% | 0.378 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.1 | -34.8 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 113.2 | Y572 L573 L574 | Y572-S576 WeakPolarHBondContact O-CB 3.39Å; Y572-S576 PolarHBondContact O-N 3.3Å; L573-S576 PolarHBondContact O-N 3.17Å; L574-S576 PolarHBondContact O-N 2.89Å |
| 577 | L | 92.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.8 | -41.9 | 175.5 | -69.5 | 175.9 | 0 | 0 | 0 | 111.5 | C467 V470 I519 L522 L573 L574 Q575 E579 R580 M583 | C467-L577 HydrophobicContact CB-CD1 4.39Å; V470-L577 HydrophobicContact CB-CD1 4.36Å; V470-L577 HydrophobicContact CB-CD2 4.13Å; V470-L577 HydrophobicContact CG1-CD1 4.39Å; V470-L577 HydrophobicContact CG1-CD2 3.76Å; V470-L577 HydrophobicContact CG2-CD1 4.36Å; I519-L577 HydrophobicContact CG1-CD1 4.09Å; L522-L577 HydrophobicContact CD2-CD1 3.86Å; L573-L577 WeakPolarHBondContact O-CG 3.23Å; L573-L577 PolarHBondContact O-N 3.34Å; L574-L577 PolarHBondContact O-N 3.23Å; Q575-L577 VanDerWaalsContact C-N 3.25Å; Q575-L577 PolarHBondContact O-N 3.18Å; L577-E579 VanDerWaalsContact C-N 3.33Å; L577-E579 PolarHBondContact O-N 2.96Å; L577-R580 VanDerWaalsContact O-CB 3.32Å; L577-R580 WeakPolarHBondContact O-CB 3.43Å; L577-R580 WeakPolarHBondContact O-CG 3.4Å; L577-R580 PolarHBondContact O-N 3.48Å; L577-M583 WeakPolarHBondContact O-CG 3.39Å |
| 578 | I | 91.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -35.5 | 178.5 | -67.4 | 168.5 | 0 | 0 | 0 | 111.9 | L574 Q575 R580 V621 V624 F627 | L574-I578 HydrophobicContact CD1-CD1 4.02Å; L574-I578 HydrophobicContact CD1-CG1 4.45Å; L574-I578 HydrophobicContact CG-CD1 3.88Å; L574-I578 WeakPolarHBondContact O-CG1 3.32Å; L574-I578 PolarHBondContact O-N 3.47Å; Q575-I578 PolarHBondContact O-N 3.37Å; Q575-I578 VanDerWaalsContact O-N 3.12Å; I578-R580 PolarHBondContact O-N 3.45Å; I578-V621 HydrophobicContact CD1-CG2 3.83Å; I578-V621 HydrophobicContact CG1-CG2 4.02Å; I578-V621 HydrophobicContact CG2-CB 4.27Å; I578-V621 HydrophobicContact CG2-CG1 3.98Å; I578-V621 HydrophobicContact CG2-CG2 3.88Å; I578-V624 HydrophobicContact CB-CG2 4.46Å; I578-V624 HydrophobicContact CD1-CG2 4.36Å; I578-V624 HydrophobicContact CG2-CB 3.98Å; I578-V624 HydrophobicContact CG2-CG1 4.08Å; I578-V624 HydrophobicContact CG2-CG2 3.87Å; I578-F627 HydrophobicContact CG2-CB 4.3Å; I578-F627 HydrophobicContact CG2-CD2 4.11Å |
| 579 | E | 90.5 | Very high | 88.4 | Confident | 48 Ų | 48 | 30.2 Ų | 30.2 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -3.5 | 179.5 | -70.1 | -173 | 176.5 | 0 | 0 | 114.2 | Q575 L577 V624 K626 | Q575-E579 HydrophobicContact CG-CG 4.13Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.25Å; Q575-E579 PolarHBondContact NE2-OE1 2.84Å; Q575-E579 WeakPolarHBondContact O-CB 3.42Å; Q575-E579 VanDerWaalsContact O-CG 3.29Å; Q575-E579 WeakPolarHBondContact O-CG 3.27Å; Q575-E579 PolarHBondContact O-N 2.77Å; L577-E579 VanDerWaalsContact C-N 3.33Å; L577-E579 PolarHBondContact O-N 2.96Å; E579-V624 HydrophobicContact CG-CG1 3.57Å; E579-K626 HydrophobicContact CB-CB 4.32Å; E579-K626 HydrophobicContact CB-CD 4.35Å; E579-K626 HydrophobicContact CG-CB 4.01Å; E579-K626 HydrophobicContact CG-CD 4.17Å; E579-K626 HydrophobicContact CG-CG 4.36Å; E579-K626 IonicContact OE1-NZ 3.75Å; E579-K626 WeakPolarHBondContact OE2-CD 3.48Å; E579-K626 WeakPolarHBondContact OE2-CE 3.21Å; E579-K626 IonicContact OE2-NZ 3.69Å; E579-K626 PolarHBondContact OE2-NZ 2.76Å |
| 580 | R | 90.2 | Very high | 88 | Confident | 42 Ų | 42 | 26.4 Ų | 26.4 | 16% | 0.158 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -69 | 139.9 | 177.2 | -75.8 | -167.1 | 64.2 | 128 | 3.5 | 111.8 | N471 D475 L577 I578 E582 M583 | N471-R580 PolarHBondContact OD1-NH1 2.97Å; D475-R580 IonicContact OD1-CZ 3.9Å; D475-R580 IonicContact OD1-NH1 2.7Å; D475-R580 PolarHBondContact OD1-NH1 3.11Å; D475-R580 IonicContact OD1-NH2 3.35Å; D475-R580 PolarHBondContact OD1-NH2 3.38Å; L577-R580 VanDerWaalsContact O-CB 3.32Å; L577-R580 WeakPolarHBondContact O-CB 3.43Å; L577-R580 WeakPolarHBondContact O-CG 3.4Å; L577-R580 PolarHBondContact O-N 3.48Å; I578-R580 PolarHBondContact O-N 3.45Å; R580-E582 WeakPolarHBondContact CB-OE2 3.37Å; R580-E582 IonicContact CZ-OE2 2.61Å; R580-E582 IonicContact NE-OE2 3.43Å; R580-E582 PolarHBondContact NE-OE2 2.9Å; R580-E582 VanDerWaalsContact NE-OE2 3.09Å; R580-E582 IonicContact NH2-OE1 3.38Å; R580-E582 PolarHBondContact NH2-OE1 2.96Å; R580-E582 IonicContact NH2-OE2 3.19Å; R580-E582 PolarHBondContact NH2-OE2 3.01Å; R580-E582 PolarHBondContact O-N 3.39Å; R580-M583 HydrophobicContact CB-CG 3.88Å; R580-M583 WeakPolarHBondContact O-CB 3.2Å; R580-M583 WeakPolarHBondContact O-CG 3.34Å; R580-M583 PolarHBondContact O-N 3.36Å; R580-M583 VanDerWaalsContact O-N 3.13Å |
| 581 | P | 88.1 | Confident | 87.4 | Confident | 77 Ų | 77 | 27.1 Ų | 27.1 | 50% | 0.5 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.5 | -174.5 | 26.9 | -35.4 | 0 | 0 | 0 | 113.9 | L484 M583 | L484-P581 HydrophobicContact CD2-CB 3.82Å; L484-P581 HydrophobicContact CD2-CG 4.05Å; P581-M583 VanDerWaalsContact C-N 3.31Å |
| 582 | E | 87.9 | Confident | 86.3 | Confident | 18 Ų | 18 | 26.6 Ų | 26.6 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -21.2 | 178.5 | -55.5 | 80.4 | 177.1 | 0 | 0 | 113.4 | V480 L484 R580 G585 L586 | V480-E582 HydrophobicContact CB-CG 4.44Å; V480-E582 HydrophobicContact CG1-CB 4.29Å; V480-E582 HydrophobicContact CG1-CG 3.28Å; V480-E582 HydrophobicContact CG2-CG 4.48Å; L484-E582 HydrophobicContact CD1-CG 3.89Å; L484-E582 HydrophobicContact CD2-CB 4.42Å; L484-E582 HydrophobicContact CD2-CG 3.83Å; L484-E582 HydrophobicContact CG-CG 3.89Å; R580-E582 WeakPolarHBondContact CB-OE2 3.37Å; R580-E582 IonicContact CZ-OE2 2.61Å; R580-E582 IonicContact NE-OE2 3.43Å; R580-E582 PolarHBondContact NE-OE2 2.9Å; R580-E582 VanDerWaalsContact NE-OE2 3.09Å; R580-E582 IonicContact NH2-OE1 3.38Å; R580-E582 PolarHBondContact NH2-OE1 2.96Å; R580-E582 IonicContact NH2-OE2 3.19Å; R580-E582 PolarHBondContact NH2-OE2 3.01Å; R580-E582 PolarHBondContact O-N 3.39Å; E582-G585 PolarHBondContact O-N 2.85Å; E582-G585 VanDerWaalsContact O-N 3.08Å; E582-L586 PolarHBondContact O-N 2.93Å |
| 583 | M | 91.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | -167.8 | -74.6 | -61.1 | -59.7 | 0 | 0 | 114.5 | I519 L577 R580 P581 G585 L586 L587 F627 | I519-M583 HydrophobicContact CD1-CE 3.53Å; I519-M583 HydrophobicContact CD1-SD 3.74Å; L577-M583 WeakPolarHBondContact O-CG 3.39Å; R580-M583 HydrophobicContact CB-CG 3.88Å; R580-M583 WeakPolarHBondContact O-CB 3.2Å; R580-M583 WeakPolarHBondContact O-CG 3.34Å; R580-M583 PolarHBondContact O-N 3.36Å; R580-M583 VanDerWaalsContact O-N 3.13Å; P581-M583 VanDerWaalsContact C-N 3.31Å; M583-G585 PolarHBondContact O-N 3.38Å; M583-L586 HydrophobicContact CE-CD2 4.35Å; M583-L586 PolarHBondContact O-N 2.99Å; M583-L586 HydrophobicContact SD-CD2 3.85Å; M583-L587 HydrophobicContact CE-CD1 4.4Å; M583-L587 HydrophobicContact CE-CD2 4.07Å; M583-L587 HydrophobicContact CE-CG 4.19Å; M583-L587 WeakPolarHBondContact O-CG 3.34Å; M583-L587 PolarHBondContact O-N 3.32Å; M583-F627 HydrophobicContact CB-CD2 4.39Å; M583-F627 HydrophobicContact CB-CE2 4.13Å |
| 584 | P | 87 | Confident | 82.7 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -53.1 | -42.3 | 174.6 | -28.2 | 36.1 | 0 | 0 | 0 | 112.6 | A588 F627 D628 R631 F632 | P584-A588 VanDerWaalsContact O-CB 3.3Å; P584-A588 WeakPolarHBondContact O-CB 3.16Å; P584-A588 PolarHBondContact O-N 2.93Å; P584-A588 VanDerWaalsContact O-N 3.15Å; P584-F627 HydrophobicContact CB-CE2 4.23Å; P584-F627 HydrophobicContact CB-CZ 4.2Å; P584-F627 HydrophobicContact CG-CD2 4.11Å; P584-F627 HydrophobicContact CG-CE2 3.68Å; P584-F627 HydrophobicContact CG-CZ 4.04Å; P584-D628 HydrophobicContact CG-CB 4.06Å; P584-R631 HydrophobicContact CB-CB 4.16Å; P584-R631 HydrophobicContact CB-CG 4Å; P584-F632 HydrophobicContact CB-CB 3.9Å; P584-F632 WeakPolarHBondContact O-CD2 3.39Å |
| 585 | G | 83.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E582 M583 A588 L589 L635 | E582-G585 PolarHBondContact O-N 2.85Å; E582-G585 VanDerWaalsContact O-N 3.08Å; M583-G585 PolarHBondContact O-N 3.38Å; G585-A588 PolarHBondContact O-N 3.44Å; G585-L589 VanDerWaalsContact O-CB 3.28Å; G585-L589 WeakPolarHBondContact O-CB 3.3Å; G585-L589 PolarHBondContact O-N 3.37Å; G585-L635 VanDerWaalsContact CA-CD1 3.44Å |
| 586 | L | 88.2 | Confident | 77 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 177.7 | -178.2 | 70.4 | 0 | 0 | 0 | 111.5 | L474 C512 I519 E582 M583 L589 C590 | L474-L586 HydrophobicContact CD2-CD1 4.07Å; L474-L586 HydrophobicContact CD2-CD2 4.11Å; C512-L586 HydrophobicContact CB-CD1 3.53Å; I519-L586 HydrophobicContact CD1-CD2 4.37Å; E582-L586 PolarHBondContact O-N 2.93Å; M583-L586 HydrophobicContact CE-CD2 4.35Å; M583-L586 PolarHBondContact O-N 2.99Å; M583-L586 HydrophobicContact SD-CD2 3.85Å; L586-L589 PolarHBondContact O-N 3.09Å; L586-C590 WeakPolarHBondContact O-CB 3.25Å; L586-C590 PolarHBondContact O-N 2.92Å; L586-C590 PolarHBondContact O-SG 3.21Å |
| 587 | L | 87.7 | Confident | 74.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | -179.4 | -61.2 | -178.2 | 0 | 0 | 0 | 111.1 | M583 L589 C590 L591 V614 L617 L618 V621 F627 F632 | M583-L587 HydrophobicContact CE-CD1 4.4Å; M583-L587 HydrophobicContact CE-CD2 4.07Å; M583-L587 HydrophobicContact CE-CG 4.19Å; M583-L587 WeakPolarHBondContact O-CG 3.34Å; M583-L587 PolarHBondContact O-N 3.32Å; L587-L589 PolarHBondContact O-N 2.99Å; L587-C590 PolarHBondContact O-N 2.83Å; L587-L591 WeakPolarHBondContact O-CG 3.39Å; L587-L591 PolarHBondContact O-N 2.93Å; L587-L591 VanDerWaalsContact O-N 3.07Å; L587-V614 HydrophobicContact CB-CG1 4Å; L587-V614 HydrophobicContact CD2-CB 4.46Å; L587-V614 HydrophobicContact CD2-CG1 3.95Å; L587-V614 HydrophobicContact CD2-CG2 3.97Å; L587-V614 HydrophobicContact CG-CG1 4.47Å; L587-L617 HydrophobicContact CD2-CD1 4.35Å; L587-L618 HydrophobicContact CD1-CD2 4.37Å; L587-V621 HydrophobicContact CD1-CG1 4.33Å; L587-V621 HydrophobicContact CD1-CG2 4.18Å; L587-F627 HydrophobicContact CD1-CE2 4.02Å; L587-F627 HydrophobicContact CD1-CZ 4.09Å; L587-F632 HydrophobicContact CB-CD2 4.17Å; L587-F632 HydrophobicContact CB-CE2 3.97Å |
| 588 | A | 79.4 | Confident | 71.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P584 G585 L591 T592 F632 L635 F636 L639 | P584-A588 VanDerWaalsContact O-CB 3.3Å; P584-A588 WeakPolarHBondContact O-CB 3.16Å; P584-A588 PolarHBondContact O-N 2.93Å; P584-A588 VanDerWaalsContact O-N 3.15Å; G585-A588 PolarHBondContact O-N 3.44Å; A588-L591 PolarHBondContact O-N 2.94Å; A588-T592 VanDerWaalsContact O-CG2 3.31Å; A588-T592 WeakPolarHBondContact O-CG2 3.4Å; A588-T592 PolarHBondContact O-N 3.08Å; A588-T592 PolarHBondContact O-OG1 3.09Å; A588-F632 HydrophobicContact CB-CD2 4.14Å; A588-F632 HydrophobicContact CB-CE2 4.23Å; A588-L635 HydrophobicContact CB-CB 4.08Å; A588-F636 HydrophobicContact CB-CB 3.95Å; A588-L639 HydrophobicContact CB-CD1 4.16Å |
| 589 | L | 79.5 | Confident | 68.4 | Low | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -48 | 176.2 | -176.9 | 67.2 | 0 | 0 | 0 | 111.7 | L483 L509 C512 G585 L586 L587 L591 T592 A593 L639 L650 | L483-L589 HydrophobicContact CD1-CD2 4.44Å; L509-L589 HydrophobicContact CD2-CD1 4.11Å; L509-L589 HydrophobicContact CD2-CD2 3.95Å; L509-L589 HydrophobicContact CD2-CG 4.2Å; C512-L589 HydrophobicContact CB-CD2 4.29Å; G585-L589 VanDerWaalsContact O-CB 3.28Å; G585-L589 WeakPolarHBondContact O-CB 3.3Å; G585-L589 PolarHBondContact O-N 3.37Å; L586-L589 PolarHBondContact O-N 3.09Å; L587-L589 PolarHBondContact O-N 2.99Å; L589-L591 VanDerWaalsContact C-N 3.27Å; L589-L591 PolarHBondContact O-N 3.07Å; L589-T592 PolarHBondContact O-N 2.99Å; L589-T592 VanDerWaalsContact O-N 3.11Å; L589-T592 PolarHBondContact O-OG1 3.33Å; L589-T592 VanDerWaalsContact O-OG1 3.07Å; L589-A593 WeakPolarHBondContact O-CB 3.21Å; L589-A593 PolarHBondContact O-N 3.49Å; L589-L639 HydrophobicContact CB-CD1 4.34Å; L589-L639 HydrophobicContact CD1-CD1 4.43Å; L589-L650 HydrophobicContact CD1-CD1 4.48Å |
| 590 | C | 78.6 | Confident | 65.6 | Low | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -27.5 | -179 | -68.3 | 0 | 0 | 0 | 0 | 113.1 | A516 L586 L587 V606 T610 V614 | A516-C590 HydrophobicContact CB-CB 4.43Å; L586-C590 WeakPolarHBondContact O-CB 3.25Å; L586-C590 PolarHBondContact O-N 2.92Å; L586-C590 PolarHBondContact O-SG 3.21Å; L587-C590 PolarHBondContact O-N 2.83Å; C590-V606 HydrophobicContact CB-CG1 4.32Å; C590-V606 WeakPolarHBondContact O-CG1 3.34Å; C590-T610 HydrophobicContact CB-CG2 4.12Å; C590-V614 HydrophobicContact CB-CG2 3.75Å |
| 591 | L | 74.6 | Confident | 63 | Low | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.8 | -34.5 | 172.3 | -70.8 | 169.9 | 0 | 0 | 0 | 112.6 | L587 A588 L589 R611 V614 F615 L618 F632 F636 | L587-L591 WeakPolarHBondContact O-CG 3.39Å; L587-L591 PolarHBondContact O-N 2.93Å; L587-L591 VanDerWaalsContact O-N 3.07Å; A588-L591 PolarHBondContact O-N 2.94Å; L589-L591 VanDerWaalsContact C-N 3.27Å; L589-L591 PolarHBondContact O-N 3.07Å; L591-R611 PolarHBondContact O-NE 3.32Å; L591-R611 PolarHBondContact O-NH2 3.18Å; L591-V614 HydrophobicContact CD1-CG1 3.88Å; L591-V614 HydrophobicContact CD2-CB 4.14Å; L591-V614 HydrophobicContact CD2-CG1 3.77Å; L591-V614 HydrophobicContact CG-CB 4.35Å; L591-V614 HydrophobicContact CG-CG1 3.6Å; L591-F615 HydrophobicContact CD2-CD1 4.29Å; L591-F615 HydrophobicContact CD2-CD2 4.28Å; L591-F615 HydrophobicContact CD2-CE1 3.95Å; L591-F615 HydrophobicContact CD2-CE2 3.92Å; L591-F615 HydrophobicContact CD2-CG 4.44Å; L591-F615 HydrophobicContact CD2-CZ 3.74Å; L591-L618 HydrophobicContact CD1-CD1 4.03Å; L591-F632 HydrophobicContact CD1-CE2 4.06Å; L591-F632 HydrophobicContact CD1-CZ 3.84Å; L591-F636 HydrophobicContact CB-CD2 4.21Å; L591-F636 HydrophobicContact CB-CE2 3.7Å; L591-F636 HydrophobicContact CD1-CD2 4.27Å; L591-F636 HydrophobicContact CD1-CE2 3.93Å; L591-F636 HydrophobicContact CG-CE2 4.47Å |
| 592 | T | 66.1 | Low | 60.7 | Low | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -88.4 | -31.1 | -171.7 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | A588 L589 S594 S595 F636 L639 I640 | A588-T592 VanDerWaalsContact O-CG2 3.31Å; A588-T592 WeakPolarHBondContact O-CG2 3.4Å; A588-T592 PolarHBondContact O-N 3.08Å; A588-T592 PolarHBondContact O-OG1 3.09Å; L589-T592 PolarHBondContact O-N 2.99Å; L589-T592 VanDerWaalsContact O-N 3.11Å; L589-T592 PolarHBondContact O-OG1 3.33Å; L589-T592 VanDerWaalsContact O-OG1 3.07Å; T592-S594 VanDerWaalsContact C-N 3.26Å; T592-S594 PolarHBondContact O-N 3.44Å; T592-S594 VanDerWaalsContact O-N 3.13Å; T592-S595 WeakPolarHBondContact O-CB 3.41Å; T592-S595 PolarHBondContact O-N 3.29Å; T592-S595 VanDerWaalsContact O-N 3.09Å; T592-F636 HydrophobicContact CG2-CD2 3.84Å; T592-F636 HydrophobicContact CG2-CE2 3.99Å; T592-L639 HydrophobicContact CG2-CB 3.78Å; T592-I640 HydrophobicContact CG2-CD1 4.31Å; T592-I640 HydrophobicContact CG2-CG1 3.54Å |
| 593 | A | 57.7 | Low | 58.6 | Low | 16 Ų | 16 | 44 Ų | 44 | 13% | 0.132 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12 | -171 | 0 | 0 | 0 | 0 | 0 | 115.9 | L589 V606 | L589-A593 WeakPolarHBondContact O-CB 3.21Å; L589-A593 PolarHBondContact O-N 3.49Å; A593-V606 HydrophobicContact CB-CB 3.82Å; A593-V606 HydrophobicContact CB-CG1 3.94Å; A593-V606 HydrophobicContact CB-CG2 3.67Å |
| 594 | S | 48.1 | Very low | 56.2 | Low | 34 Ų | 34 | 44.3 Ų | 44.3 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 22.5 | 172.2 | 17.8 | 0 | 0 | 0 | 0 | 113.6 | T592 V606 R611 | T592-S594 VanDerWaalsContact C-N 3.26Å; T592-S594 PolarHBondContact O-N 3.44Å; T592-S594 VanDerWaalsContact O-N 3.13Å; S594-V606 WeakPolarHBondContact CB-O 3.35Å; S594-V606 PolarHBondContact OG-O 3.39Å; S594-R611 VanDerWaalsContact C-CZ 3.44Å; S594-R611 VanDerWaalsContact O-CZ 3.26Å; S594-R611 PolarHBondContact O-NH1 2.87Å; S594-R611 PolarHBondContact O-NH2 3Å; S594-R611 WeakPolarHBondContact OG-CD 3.29Å; S594-R611 PolarHBondContact OG-NE 3.27Å; S594-R611 PolarHBondContact OG-NH2 3.23Å |
| 595 | S | 33.3 | Very low | 54.3 | Low | 32 Ų | 32 | 44.7 Ų | 44.7 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | trans | -64.9 | 134.6 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | T592 F597 Y598 | T592-S595 WeakPolarHBondContact O-CB 3.41Å; T592-S595 PolarHBondContact O-N 3.29Å; T592-S595 VanDerWaalsContact O-N 3.09Å; S595-F597 PolarHBondContact O-N 2.98Å; S595-F597 VanDerWaalsContact OG-CD2 3.3Å; S595-F597 WeakPolarHBondContact OG-CD2 3.5Å; S595-Y598 PolarHBondContact O-N 2.95Å | ||
| 596 | P | 30.2 | Very low | 53 | Low | 98 Ų | 98 | 45.1 Ų | 45.1 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -8.3 | -179 | 24.6 | -33.7 | 0 | 0 | 0 | 114.4 | Y598 | P596-Y598 PolarHBondContact O-N 3.49Š|
| 597 | F | 29.8 | Very low | 51.7 | Low | 168 Ų | 168 | 46.5 Ų | 46.5 | 74% | 0.737 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.9 | 169.7 | -70.1 | -70.9 | 0 | 0 | 0 | 113.2 | S595 Q599 | S595-F597 PolarHBondContact O-N 2.98Å; S595-F597 VanDerWaalsContact OG-CD2 3.3Å; S595-F597 WeakPolarHBondContact OG-CD2 3.5Å; F597-Q599 PolarHBondContact O-N 3.37Å |
| 598 | Y | 36.3 | Very low | 50.7 | Low | 82 Ų | 82 | 53 Ų | 53 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | trans | -89.1 | 82.4 | 167.2 | -63.2 | -79.9 | 0 | 0 | 0 | 109.2 | S595 P596 S600 L654 | S595-Y598 PolarHBondContact O-N 2.95Å; P596-Y598 PolarHBondContact O-N 3.49Å; Y598-S600 PolarHBondContact O-N 3.09Å; Y598-L654 HydrophobicContact CE1-CD1 4.22Å | ||
| 599 | Q | 27.9 | Very low | 50.4 | Low | 192 Ų | 192 | 55.3 Ų | 55.3 | 90% | 0.897 | 30% | 0.303 | S | S | * | . | trans | -63.2 | 1.9 | 169.9 | -83.7 | -177.6 | -11.6 | 0 | 0 | 113.8 | F597 D601 | F597-Q599 PolarHBondContact O-N 3.37Å; Q599-D601 PolarHBondContact O-N 3.42Å | ||
| 600 | S | 31.8 | Very low | 50.4 | Low | 54 Ų | 54 | 55 Ų | 55 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | trans | -84.8 | 101.2 | 161.6 | 63 | 0 | 0 | 0 | 0 | 108 | Y598 D602 | Y598-S600 PolarHBondContact O-N 3.09Å; S600-D602 PolarHBondContact O-N 3.41Å | ||
| 601 | D | 35.4 | Very low | 50.2 | Low | 130 Ų | 130 | 57.6 Ų | 57.6 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -10.7 | 160.5 | -85.7 | -33 | 0 | 0 | 0 | 111.8 | Q599 V603 R675 | Q599-D601 PolarHBondContact O-N 3.42Å; D601-V603 PolarHBondContact O-N 3.45Å; D601-R675 PolarHBondContact O-NH1 2.87Å; D601-R675 PolarHBondContact O-NH2 3.31Å |
| 602 | D | 39.5 | Very low | 50.3 | Low | 42 Ų | 42 | 61.7 Ų | 61.7 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.1 | -170.9 | -67 | -29.9 | 0 | 0 | 0 | 118.3 | S600 L604 T667 | S600-D602 PolarHBondContact O-N 3.41Å; D602-L604 PolarHBondContact O-N 3.06Å; D602-T667 HydrophobicContact CB-CG2 3.97Å; D602-T667 WeakPolarHBondContact OD1-CB 3.39Å; D602-T667 WeakPolarHBondContact OD1-CG2 3.48Å; D602-T667 PolarHBondContact OD1-OG1 2.95Å |
| 603 | V | 43.7 | Very low | 51.2 | Low | 39 Ų | 39 | 61.1 Ų | 61.1 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | trans | -76.3 | 120.7 | -174.8 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | L509 D601 | L509-V603 HydrophobicContact CD1-CG1 3.92Å; D601-V603 PolarHBondContact O-N 3.45Å | ||
| 604 | L | 42.3 | Very low | 52.5 | Low | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | trans | -71.3 | 140.6 | 179.2 | -75.9 | 141 | 0 | 0 | 0 | 112.5 | D506 L510 D602 V606 L668 N671 | D506-L604 HydrophobicContact CB-CD1 4.03Å; L510-L604 HydrophobicContact CB-CB 4.4Å; L510-L604 HydrophobicContact CD1-CB 4.4Å; D602-L604 PolarHBondContact O-N 3.06Å; L604-V606 PolarHBondContact O-N 3.04Å; L604-L668 HydrophobicContact CD1-CB 4.26Å; L604-L668 HydrophobicContact CD1-CD1 3.09Å; L604-L668 HydrophobicContact CD1-CG 3.52Å; L604-L668 HydrophobicContact CD2-CB 4.31Å; L604-L668 HydrophobicContact CD2-CD1 3.49Å; L604-L668 VanDerWaalsContact CD2-CD1 3.49Å; L604-L668 HydrophobicContact CD2-CG 4.31Å; L604-L668 HydrophobicContact CG-CD1 3.8Å; L604-L668 HydrophobicContact CG-CG 4.42Å; L604-N671 HydrophobicContact CD2-CB 3.95Å; L604-N671 VanDerWaalsContact CD2-ND2 3.33Å; L604-N671 WeakPolarHBondContact CD2-ND2 2.99Å | ||
| 605 | G | 47 | Very low | 54.1 | Low | 11 Ų | 11 | 64.1 Ų | 64.1 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 95.8 | -39 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | A513 G607 T610 | A513-G605 WeakPolarHBondContact CB-O 3.43Å; G605-G607 PolarHBondContact O-N 2.98Å; G605-G607 VanDerWaalsContact O-N 3.16Å; G605-T610 PolarHBondContact O-OG1 3.01Å; G605-T610 VanDerWaalsContact O-OG1 3.12Å |
| 606 | V | 55.4 | Low | 56.4 | Low | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | trans | -95.9 | 69.3 | -172.8 | -162 | 0 | 0 | 0 | 0 | 111.9 | A513 C590 A593 S594 L604 T610 | A513-V606 HydrophobicContact CB-CG2 4.2Å; C590-V606 HydrophobicContact CB-CG1 4.32Å; C590-V606 WeakPolarHBondContact O-CG1 3.34Å; A593-V606 HydrophobicContact CB-CB 3.82Å; A593-V606 HydrophobicContact CB-CG1 3.94Å; A593-V606 HydrophobicContact CB-CG2 3.67Å; S594-V606 WeakPolarHBondContact CB-O 3.35Å; S594-V606 PolarHBondContact OG-O 3.39Å; L604-V606 PolarHBondContact O-N 3.04Å; V606-T610 HydrophobicContact CG1-CG2 4.36Å | ||
| 607 | G | 61.4 | Low | 59.1 | Low | 29 Ų | 29 | 60.2 Ų | 60.2 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | trans | -81.5 | -177.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G605 Q609 T610 R611 | G605-G607 PolarHBondContact O-N 2.98Å; G605-G607 VanDerWaalsContact O-N 3.16Å; G607-Q609 PolarHBondContact O-N 3.05Å; G607-T610 PolarHBondContact N-OG1 3.06Å; G607-T610 PolarHBondContact O-N 2.89Å; G607-R611 PolarHBondContact O-N 3.29Å | ||
| 608 | L | 67.2 | Low | 61.7 | Low | 136 Ų | 136 | 53.2 Ų | 53.2 | 71% | 0.712 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -57.3 | -37.3 | 172.4 | -75.4 | 166.4 | 0 | 0 | 0 | 112.2 | R611 K612 | L608-R611 PolarHBondContact O-N 3.44Å; L608-K612 PolarHBondContact O-N 3.32Å |
| 609 | Q | 73 | Confident | 63.8 | Low | 49 Ų | 49 | 54.8 Ų | 54.8 | 23% | 0.229 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 179.1 | -175 | 52 | 50.1 | 0 | 0 | 111.9 | R429 G607 R611 K612 D613 | R429-Q609 HydrophobicContact CG-CG 4.05Å; G607-Q609 PolarHBondContact O-N 3.05Å; Q609-R611 VanDerWaalsContact C-N 3.27Å; Q609-R611 PolarHBondContact O-N 2.85Å; Q609-K612 WeakPolarHBondContact O-CB 3.34Å; Q609-K612 PolarHBondContact O-N 2.93Å; Q609-K612 VanDerWaalsContact O-N 3.08Å; Q609-D613 PolarHBondContact NE2-OD1 3.45Å; Q609-D613 VanDerWaalsContact NE2-OD1 3.08Å; Q609-D613 PolarHBondContact NE2-OD2 2.9Å; Q609-D613 VanDerWaalsContact NE2-OD2 3.1Å; Q609-D613 VanDerWaalsContact O-CG 3.28Å; Q609-D613 PolarHBondContact O-N 3.21Å |
| 610 | T | 79 | Confident | 66.3 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.8 | -43.1 | 174.9 | -37.4 | 0 | 0 | 0 | 0 | 111.5 | A513 A516 E517 C590 G605 V606 G607 D613 V614 | A513-T610 HydrophobicContact CB-CG2 3.92Å; A516-T610 HydrophobicContact CB-CG2 3.84Å; E517-T610 HydrophobicContact CG-CG2 4.21Å; E517-T610 PolarHBondContact OE1-OG1 3.47Å; C590-T610 HydrophobicContact CB-CG2 4.12Å; G605-T610 PolarHBondContact O-OG1 3.01Å; G605-T610 VanDerWaalsContact O-OG1 3.12Å; V606-T610 HydrophobicContact CG1-CG2 4.36Å; G607-T610 PolarHBondContact N-OG1 3.06Å; G607-T610 PolarHBondContact O-N 2.89Å; T610-D613 PolarHBondContact O-N 2.89Å; T610-V614 WeakPolarHBondContact O-CG2 3.47Å; T610-V614 PolarHBondContact O-N 3.34Å |
| 611 | R | 74.8 | Confident | 68.7 | Low | 54 Ų | 54 | 45.2 Ų | 45.2 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 175 | -78.1 | -178.6 | 159.5 | 160.2 | 2.8 | 112.5 | L591 S594 G607 L608 Q609 D613 V614 F615 | L591-R611 PolarHBondContact O-NE 3.32Å; L591-R611 PolarHBondContact O-NH2 3.18Å; S594-R611 VanDerWaalsContact C-CZ 3.44Å; S594-R611 VanDerWaalsContact O-CZ 3.26Å; S594-R611 PolarHBondContact O-NH1 2.87Å; S594-R611 PolarHBondContact O-NH2 3Å; S594-R611 WeakPolarHBondContact OG-CD 3.29Å; S594-R611 PolarHBondContact OG-NE 3.27Å; S594-R611 PolarHBondContact OG-NH2 3.23Å; G607-R611 PolarHBondContact O-N 3.29Å; L608-R611 PolarHBondContact O-N 3.44Å; Q609-R611 VanDerWaalsContact C-N 3.27Å; Q609-R611 PolarHBondContact O-N 2.85Å; R611-D613 VanDerWaalsContact C-N 3.25Å; R611-D613 PolarHBondContact O-N 3.28Å; R611-V614 PolarHBondContact O-N 2.88Å; R611-F615 HydrophobicContact CB-CD2 4.41Å; R611-F615 HydrophobicContact CB-CE2 4.31Å; R611-F615 WeakPolarHBondContact O-CD2 3.4Å; R611-F615 PolarHBondContact O-N 3.08Å |
| 612 | K | 76.4 | Confident | 70.6 | Confident | 101 Ų | 101 | 41.4 Ų | 41.4 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.1 | -44.2 | 176.8 | -178.9 | -178.2 | 174.7 | -175.7 | 0 | 110.6 | L608 Q609 F615 Q616 | L608-K612 PolarHBondContact O-N 3.32Å; Q609-K612 WeakPolarHBondContact O-CB 3.34Å; Q609-K612 PolarHBondContact O-N 2.93Å; Q609-K612 VanDerWaalsContact O-N 3.08Å; K612-F615 PolarHBondContact O-N 3.45Å; K612-Q616 WeakPolarHBondContact O-CG 3.35Å; K612-Q616 PolarHBondContact O-N 2.9Å |
| 613 | D | 84.2 | Confident | 72.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 176.9 | -65.3 | -48.1 | 0 | 0 | 0 | 112 | K432 Q609 T610 R611 F615 Q616 L617 | K432-D613 IonicContact NZ-OD1 3.38Å; K432-D613 PolarHBondContact NZ-OD1 3.28Å; K432-D613 IonicContact NZ-OD2 3.08Å; K432-D613 PolarHBondContact NZ-OD2 3.08Å; Q609-D613 PolarHBondContact NE2-OD1 3.45Å; Q609-D613 VanDerWaalsContact NE2-OD1 3.08Å; Q609-D613 PolarHBondContact NE2-OD2 2.9Å; Q609-D613 VanDerWaalsContact NE2-OD2 3.1Å; Q609-D613 VanDerWaalsContact O-CG 3.28Å; Q609-D613 PolarHBondContact O-N 3.21Å; T610-D613 PolarHBondContact O-N 2.89Å; R611-D613 VanDerWaalsContact C-N 3.25Å; R611-D613 PolarHBondContact O-N 3.28Å; D613-F615 VanDerWaalsContact C-N 3.35Å; D613-F615 PolarHBondContact O-N 3.31Å; D613-Q616 WeakPolarHBondContact O-CB 3.29Å; D613-Q616 PolarHBondContact O-N 3.49Å; D613-L617 WeakPolarHBondContact O-CB 3.45Å; D613-L617 VanDerWaalsContact O-CG 3.26Å; D613-L617 WeakPolarHBondContact O-CG 3.44Å; D613-L617 PolarHBondContact O-N 3.01Å |
| 614 | V | 85 | Confident | 74.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.5 | 175 | 0 | 0 | 0 | 0 | 111.5 | A516 L587 C590 L591 T610 R611 Q616 L617 L618 | A516-V614 HydrophobicContact CB-CG2 4.12Å; L587-V614 HydrophobicContact CB-CG1 4Å; L587-V614 HydrophobicContact CD2-CB 4.46Å; L587-V614 HydrophobicContact CD2-CG1 3.95Å; L587-V614 HydrophobicContact CD2-CG2 3.97Å; L587-V614 HydrophobicContact CG-CG1 4.47Å; C590-V614 HydrophobicContact CB-CG2 3.75Å; L591-V614 HydrophobicContact CD1-CG1 3.88Å; L591-V614 HydrophobicContact CD2-CB 4.14Å; L591-V614 HydrophobicContact CD2-CG1 3.77Å; L591-V614 HydrophobicContact CG-CB 4.35Å; L591-V614 HydrophobicContact CG-CG1 3.6Å; T610-V614 WeakPolarHBondContact O-CG2 3.47Å; T610-V614 PolarHBondContact O-N 3.34Å; R611-V614 PolarHBondContact O-N 2.88Å; V614-Q616 VanDerWaalsContact C-N 3.33Å; V614-Q616 PolarHBondContact O-N 3.1Å; V614-L617 PolarHBondContact O-N 3.39Å; V614-L618 HydrophobicContact CG1-CD1 4.44Å; V614-L618 HydrophobicContact CG1-CG 4.39Å; V614-L618 WeakPolarHBondContact O-CG 3.43Å; V614-L618 PolarHBondContact O-N 3.31Å |
| 615 | F | 81.7 | Confident | 76 | Confident | 113 Ų | 113 | 53.4 Ų | 53.4 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.9 | -77.7 | -59.2 | 0 | 0 | 0 | 112.4 | L591 R611 K612 D613 L618 | L591-F615 HydrophobicContact CD2-CD1 4.29Å; L591-F615 HydrophobicContact CD2-CD2 4.28Å; L591-F615 HydrophobicContact CD2-CE1 3.95Å; L591-F615 HydrophobicContact CD2-CE2 3.92Å; L591-F615 HydrophobicContact CD2-CG 4.44Å; L591-F615 HydrophobicContact CD2-CZ 3.74Å; R611-F615 HydrophobicContact CB-CD2 4.41Å; R611-F615 HydrophobicContact CB-CE2 4.31Å; R611-F615 WeakPolarHBondContact O-CD2 3.4Å; R611-F615 PolarHBondContact O-N 3.08Å; K612-F615 PolarHBondContact O-N 3.45Å; D613-F615 VanDerWaalsContact C-N 3.35Å; D613-F615 PolarHBondContact O-N 3.31Å; F615-L618 HydrophobicContact CD1-CD1 4.42Å |
| 616 | Q | 82.9 | Confident | 77.8 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 173.7 | -75.7 | -178.9 | -19.3 | 0 | 0 | 111.4 | F523 Q524 K612 D613 V614 N619 | F523-Q616 HydrophobicContact CD1-CB 4.1Å; F523-Q616 HydrophobicContact CE1-CB 3.94Å; Q524-Q616 VanDerWaalsContact NE2-OE1 3.11Å; K612-Q616 WeakPolarHBondContact O-CG 3.35Å; K612-Q616 PolarHBondContact O-N 2.9Å; D613-Q616 WeakPolarHBondContact O-CB 3.29Å; D613-Q616 PolarHBondContact O-N 3.49Å; V614-Q616 VanDerWaalsContact C-N 3.33Å; V614-Q616 PolarHBondContact O-N 3.1Å; Q616-N619 WeakPolarHBondContact O-CB 3.48Å; Q616-N619 PolarHBondContact O-N 3.46Å |
| 617 | L | 87.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 178.9 | -70.5 | 170.8 | 0 | 0 | 0 | 112.7 | I519 F523 L574 L587 D613 V614 N619 V620 V621 | I519-L617 HydrophobicContact CB-CD1 3.96Å; I519-L617 HydrophobicContact CG2-CD1 3.61Å; I519-L617 HydrophobicContact CG2-CD2 3.66Å; I519-L617 HydrophobicContact CG2-CG 4.29Å; F523-L617 HydrophobicContact CB-CD2 3.63Å; F523-L617 HydrophobicContact CG-CD2 4.07Å; L574-L617 HydrophobicContact CD1-CD2 4.23Å; L587-L617 HydrophobicContact CD2-CD1 4.35Å; D613-L617 WeakPolarHBondContact O-CB 3.45Å; D613-L617 VanDerWaalsContact O-CG 3.26Å; D613-L617 WeakPolarHBondContact O-CG 3.44Å; D613-L617 PolarHBondContact O-N 3.01Å; V614-L617 PolarHBondContact O-N 3.39Å; L617-N619 PolarHBondContact O-N 3.47Å; L617-N619 VanDerWaalsContact O-N 3.1Å; L617-V620 PolarHBondContact O-N 3.39Å; L617-V621 HydrophobicContact CB-CG2 4.25Å; L617-V621 WeakPolarHBondContact O-CB 3.42Å; L617-V621 WeakPolarHBondContact O-CG2 3.33Å; L617-V621 PolarHBondContact O-N 2.92Å |
| 618 | L | 84.6 | Confident | 80.4 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.6 | -27.6 | 177.5 | -75.2 | 175.6 | 0 | 0 | 0 | 112.8 | L587 L591 V614 F615 V620 H622 F632 | L587-L618 HydrophobicContact CD1-CD2 4.37Å; L591-L618 HydrophobicContact CD1-CD1 4.03Å; V614-L618 HydrophobicContact CG1-CD1 4.44Å; V614-L618 HydrophobicContact CG1-CG 4.39Å; V614-L618 WeakPolarHBondContact O-CG 3.43Å; V614-L618 PolarHBondContact O-N 3.31Å; F615-L618 HydrophobicContact CD1-CD1 4.42Å; L618-V620 PolarHBondContact O-N 2.99Å; L618-H622 PolarHBondContact O-CD2 2.87Å; L618-F632 HydrophobicContact CD1-CZ 4.15Å; L618-F632 HydrophobicContact CD2-CE1 4.19Å; L618-F632 HydrophobicContact CD2-CE2 4.17Å; L618-F632 HydrophobicContact CD2-CZ 3.86Å |
| 619 | N | 79.4 | Confident | 81.1 | Confident | 115 Ų | 115 | 57.7 Ų | 57.7 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.4 | -22.1 | 174.9 | -64 | -31.5 | 0 | 0 | 0 | 113.5 | Q616 L617 H623 | Q616-N619 WeakPolarHBondContact O-CB 3.48Å; Q616-N619 PolarHBondContact O-N 3.46Å; L617-N619 PolarHBondContact O-N 3.47Å; L617-N619 VanDerWaalsContact O-N 3.1Å; N619-H623 PolarHBondContact O-CD2 3.42Å |
| 620 | V | 81.1 | Confident | 81.5 | Confident | 44 Ų | 44 | 62 Ų | 62 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -110 | -35.4 | -178.3 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | F523 L617 L618 H622 H623 | F523-V620 HydrophobicContact CD2-CG2 4.01Å; F523-V620 HydrophobicContact CE2-CB 4.47Å; F523-V620 HydrophobicContact CE2-CG2 3.33Å; F523-V620 HydrophobicContact CZ-CG2 3.94Å; L617-V620 PolarHBondContact O-N 3.39Å; L618-V620 PolarHBondContact O-N 2.99Å; V620-H622 VanDerWaalsContact C-N 3.28Å; V620-H622 PolarHBondContact O-N 2.99Å; V620-H623 WeakPolarHBondContact O-CB 3.1Å; V620-H623 PolarHBondContact O-N 2.76Å |
| 621 | V | 82.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.7 | -38.6 | -172.8 | 168.3 | 0 | 0 | 0 | 0 | 112.3 | I578 L587 L617 H623 V624 F627 | I578-V621 HydrophobicContact CD1-CG2 3.83Å; I578-V621 HydrophobicContact CG1-CG2 4.02Å; I578-V621 HydrophobicContact CG2-CB 4.27Å; I578-V621 HydrophobicContact CG2-CG1 3.98Å; I578-V621 HydrophobicContact CG2-CG2 3.88Å; L587-V621 HydrophobicContact CD1-CG1 4.33Å; L587-V621 HydrophobicContact CD1-CG2 4.18Å; L617-V621 HydrophobicContact CB-CG2 4.25Å; L617-V621 WeakPolarHBondContact O-CB 3.42Å; L617-V621 WeakPolarHBondContact O-CG2 3.33Å; L617-V621 PolarHBondContact O-N 2.92Å; V621-H623 PolarHBondContact O-N 3.11Å; V621-H623 VanDerWaalsContact O-N 3.12Å; V621-V624 WeakPolarHBondContact O-CB 3.39Å; V621-V624 PolarHBondContact O-N 2.86Å; V621-F627 HydrophobicContact CG1-CB 4.01Å; V621-F627 HydrophobicContact CG1-CD1 3.25Å; V621-F627 HydrophobicContact CG1-CD2 3.25Å; V621-F627 HydrophobicContact CG1-CE1 3.34Å; V621-F627 HydrophobicContact CG1-CE2 3.33Å; V621-F627 HydrophobicContact CG1-CG 3.19Å; V621-F627 HydrophobicContact CG1-CZ 3.36Å |
| 622 | H | 74.4 | Confident | 82.1 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.2 | 176.7 | -63 | -52.6 | 0 | 0 | 0 | 114.5 | L618 V620 D629 | L618-H622 PolarHBondContact O-CD2 2.87Å; V620-H622 VanDerWaalsContact C-N 3.28Å; V620-H622 PolarHBondContact O-N 2.99Å; H622-D629 IonicContact CE1-OD1 3.93Å; H622-D629 PolarHBondContact CE1-OD1 3.05Å; H622-D629 IonicContact CG-OD1 2.74Å; H622-D629 IonicContact ND1-OD1 2.88Å; H622-D629 PolarHBondContact ND1-OD1 3.4Å; H622-D629 IonicContact ND1-OD2 3.84Å |
| 623 | H | 78.7 | Confident | 82.1 | Confident | 140 Ų | 140 | 58.5 Ų | 58.5 | 65% | 0.648 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -11.4 | 174.9 | -62.3 | -58.9 | 0 | 0 | 0 | 113 | N619 V620 V621 | N619-H623 PolarHBondContact O-CD2 3.42Å; V620-H623 WeakPolarHBondContact O-CB 3.1Å; V620-H623 PolarHBondContact O-N 2.76Å; V621-H623 PolarHBondContact O-N 3.11Å; V621-H623 VanDerWaalsContact O-N 3.12Å |
| 624 | V | 82.1 | Confident | 81.8 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -85.7 | 119.2 | 179.8 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | Q575 I578 E579 V621 K626 F627 | Q575-V624 HydrophobicContact CG-CG1 4.26Å; I578-V624 HydrophobicContact CB-CG2 4.46Å; I578-V624 HydrophobicContact CD1-CG2 4.36Å; I578-V624 HydrophobicContact CG2-CB 3.98Å; I578-V624 HydrophobicContact CG2-CG1 4.08Å; I578-V624 HydrophobicContact CG2-CG2 3.87Å; E579-V624 HydrophobicContact CG-CG1 3.57Å; V621-V624 WeakPolarHBondContact O-CB 3.39Å; V621-V624 PolarHBondContact O-N 2.86Å; V624-K626 VanDerWaalsContact C-N 3.27Å; V624-K626 PolarHBondContact O-N 2.91Å; V624-K626 VanDerWaalsContact O-N 3.15Å; V624-F627 HydrophobicContact CB-CB 4.42Å; V624-F627 PolarHBondContact O-N 3.29Å; V624-F627 VanDerWaalsContact O-N 3.17Å |
| 625 | E | 78.1 | Confident | 81.3 | Confident | 182 Ų | 182 | 64.4 Ų | 64.4 | 85% | 0.85 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -30.6 | -170.5 | -67.2 | -173.7 | 164.6 | 0 | 0 | 115.1 | ||
| 626 | K | 84.3 | Confident | 80.8 | Confident | 143 Ų | 143 | 60.6 Ų | 60.6 | 62% | 0.622 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -1.4 | -177.7 | -54.5 | -174.3 | -167 | 150.3 | 0 | 114.4 | E579 V624 | E579-K626 HydrophobicContact CB-CB 4.32Å; E579-K626 HydrophobicContact CB-CD 4.35Å; E579-K626 HydrophobicContact CG-CB 4.01Å; E579-K626 HydrophobicContact CG-CD 4.17Å; E579-K626 HydrophobicContact CG-CG 4.36Å; E579-K626 IonicContact OE1-NZ 3.75Å; E579-K626 WeakPolarHBondContact OE2-CD 3.48Å; E579-K626 WeakPolarHBondContact OE2-CE 3.21Å; E579-K626 IonicContact OE2-NZ 3.69Å; E579-K626 PolarHBondContact OE2-NZ 2.76Å; V624-K626 VanDerWaalsContact C-N 3.27Å; V624-K626 PolarHBondContact O-N 2.91Å; V624-K626 VanDerWaalsContact O-N 3.15Å |
| 627 | F | 85.8 | Confident | 80.1 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | trans | -75.5 | 128.4 | 177 | -178 | -96.9 | 0 | 0 | 0 | 110.3 | I578 M583 P584 L587 V621 V624 D629 F632 | I578-F627 HydrophobicContact CG2-CB 4.3Å; I578-F627 HydrophobicContact CG2-CD2 4.11Å; M583-F627 HydrophobicContact CB-CD2 4.39Å; M583-F627 HydrophobicContact CB-CE2 4.13Å; P584-F627 HydrophobicContact CB-CE2 4.23Å; P584-F627 HydrophobicContact CB-CZ 4.2Å; P584-F627 HydrophobicContact CG-CD2 4.11Å; P584-F627 HydrophobicContact CG-CE2 3.68Å; P584-F627 HydrophobicContact CG-CZ 4.04Å; L587-F627 HydrophobicContact CD1-CE2 4.02Å; L587-F627 HydrophobicContact CD1-CZ 4.09Å; V621-F627 HydrophobicContact CG1-CB 4.01Å; V621-F627 HydrophobicContact CG1-CD1 3.25Å; V621-F627 HydrophobicContact CG1-CD2 3.25Å; V621-F627 HydrophobicContact CG1-CE1 3.34Å; V621-F627 HydrophobicContact CG1-CE2 3.33Å; V621-F627 HydrophobicContact CG1-CG 3.19Å; V621-F627 HydrophobicContact CG1-CZ 3.36Å; V624-F627 HydrophobicContact CB-CB 4.42Å; V624-F627 PolarHBondContact O-N 3.29Å; V624-F627 VanDerWaalsContact O-N 3.17Å; F627-D629 VanDerWaalsContact CD1-OD1 3.23Å; F627-D629 WeakPolarHBondContact CD1-OD1 3.25Å; F627-D629 WeakPolarHBondContact CE1-OD1 3.33Å; F627-D629 PolarHBondContact O-N 3.33Å; F627-F632 HydrophobicContact CE1-CB 4.01Å; F627-F632 HydrophobicContact CE1-CG 4.46Å; F627-F632 HydrophobicContact CZ-CB 3.9Å; F627-F632 HydrophobicContact CZ-CD2 4.43Å; F627-F632 HydrophobicContact CZ-CG 4.25Å | ||
| 628 | D | 85 | Confident | 79.1 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -87.6 | 90 | -178 | -171 | -17 | 0 | 0 | 0 | 111 | P584 D630 R631 F632 | P584-D628 HydrophobicContact CG-CB 4.06Å; D628-D630 VanDerWaalsContact C-N 3.33Å; D628-D630 PolarHBondContact O-N 3.49Å; D628-D630 PolarHBondContact OD1-N 3.09Å; D628-R631 HydrophobicContact CB-CB 3.87Å; D628-R631 PolarHBondContact O-N 2.79Å; D628-R631 WeakPolarHBondContact OD1-CB 3.45Å; D628-R631 PolarHBondContact OD1-N 3.39Å; D628-R631 WeakPolarHBondContact OD2-CB 3.27Å; D628-F632 PolarHBondContact O-N 2.81Å | ||
| 629 | D | 83 | Confident | 78.2 | Confident | 48 Ų | 48 | 64 Ų | 64 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 177.3 | -74.1 | -36.1 | 0 | 0 | 0 | 112.2 | H622 F627 R631 F632 V633 | H622-D629 IonicContact CE1-OD1 3.93Å; H622-D629 PolarHBondContact CE1-OD1 3.05Å; H622-D629 IonicContact CG-OD1 2.74Å; H622-D629 IonicContact ND1-OD1 2.88Å; H622-D629 PolarHBondContact ND1-OD1 3.4Å; H622-D629 IonicContact ND1-OD2 3.84Å; F627-D629 VanDerWaalsContact CD1-OD1 3.23Å; F627-D629 WeakPolarHBondContact CD1-OD1 3.25Å; F627-D629 WeakPolarHBondContact CE1-OD1 3.33Å; F627-D629 PolarHBondContact O-N 3.33Å; D629-R631 PolarHBondContact O-N 2.92Å; D629-F632 WeakPolarHBondContact O-CB 3.4Å; D629-F632 PolarHBondContact O-N 3.33Å; D629-V633 WeakPolarHBondContact O-CG2 3.32Å; D629-V633 PolarHBondContact O-N 3.37Å |
| 630 | D | 81.7 | Confident | 77.4 | Confident | 138 Ų | 138 | 61.9 Ų | 61.9 | 74% | 0.738 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | -177.8 | -75.5 | -30.4 | 0 | 0 | 0 | 110.5 | D628 V633 F634 | D628-D630 VanDerWaalsContact C-N 3.33Å; D628-D630 PolarHBondContact O-N 3.49Å; D628-D630 PolarHBondContact OD1-N 3.09Å; D630-V633 PolarHBondContact O-N 3.36Å; D630-F634 VanDerWaalsContact O-CB 3.25Å; D630-F634 WeakPolarHBondContact O-CB 3.29Å; D630-F634 PolarHBondContact O-N 3.19Å |
| 631 | R | 82.6 | Confident | 76.1 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.9 | -177 | -177.6 | -174.3 | 136.5 | 19.8 | 112.2 | L483 L484 D486 P584 D628 D629 F634 L635 | L483-R631 PolarHBondContact O-NH2 3.18Å; L484-R631 PolarHBondContact O-NH2 3.28Å; D486-R631 VanDerWaalsContact CG-NH2 3.32Å; D486-R631 IonicContact OD1-CZ 3.81Å; D486-R631 VanDerWaalsContact OD1-CZ 3.31Å; D486-R631 IonicContact OD1-NE 2.68Å; D486-R631 IonicContact OD1-NH1 3.13Å; D486-R631 IonicContact OD1-NH2 3.31Å; D486-R631 PolarHBondContact OD1-NH2 2.9Å; D486-R631 VanDerWaalsContact OD1-NH2 3.13Å; D486-R631 IonicContact OD2-CZ 2.77Å; D486-R631 IonicContact OD2-NH1 3.15Å; D486-R631 PolarHBondContact OD2-NH1 3.44Å; D486-R631 IonicContact OD2-NH2 3.11Å; D486-R631 PolarHBondContact OD2-NH2 3.08Å; D486-R631 VanDerWaalsContact OD2-NH2 3.15Å; P584-R631 HydrophobicContact CB-CB 4.16Å; P584-R631 HydrophobicContact CB-CG 4Å; D628-R631 HydrophobicContact CB-CB 3.87Å; D628-R631 PolarHBondContact O-N 2.79Å; D628-R631 WeakPolarHBondContact OD1-CB 3.45Å; D628-R631 PolarHBondContact OD1-N 3.39Å; D628-R631 WeakPolarHBondContact OD2-CB 3.27Å; D629-R631 PolarHBondContact O-N 2.92Å; R631-F634 PolarHBondContact O-N 2.85Å; R631-L635 HydrophobicContact CG-CD1 3.84Å; R631-L635 HydrophobicContact CG-CG 4.3Å; R631-L635 WeakPolarHBondContact O-CB 3.48Å; R631-L635 WeakPolarHBondContact O-CG 3.06Å; R631-L635 PolarHBondContact O-N 2.9Å |
| 632 | F | 82.4 | Confident | 74.4 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 5% | 0.053 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.6 | -51 | 176.4 | 166.7 | -101 | 0 | 0 | 0 | 110.7 | P584 L587 A588 L591 L618 F627 D628 D629 F634 L635 F636 | P584-F632 HydrophobicContact CB-CB 3.9Å; P584-F632 WeakPolarHBondContact O-CD2 3.39Å; L587-F632 HydrophobicContact CB-CD2 4.17Å; L587-F632 HydrophobicContact CB-CE2 3.97Å; A588-F632 HydrophobicContact CB-CD2 4.14Å; A588-F632 HydrophobicContact CB-CE2 4.23Å; L591-F632 HydrophobicContact CD1-CE2 4.06Å; L591-F632 HydrophobicContact CD1-CZ 3.84Å; L618-F632 HydrophobicContact CD1-CZ 4.15Å; L618-F632 HydrophobicContact CD2-CE1 4.19Å; L618-F632 HydrophobicContact CD2-CE2 4.17Å; L618-F632 HydrophobicContact CD2-CZ 3.86Å; F627-F632 HydrophobicContact CE1-CB 4.01Å; F627-F632 HydrophobicContact CE1-CG 4.46Å; F627-F632 HydrophobicContact CZ-CB 3.9Å; F627-F632 HydrophobicContact CZ-CD2 4.43Å; F627-F632 HydrophobicContact CZ-CG 4.25Å; D628-F632 PolarHBondContact O-N 2.81Å; D629-F632 WeakPolarHBondContact O-CB 3.4Å; D629-F632 PolarHBondContact O-N 3.33Å; F632-F634 PolarHBondContact O-N 3.45Å; F632-L635 PolarHBondContact O-N 3.33Å; F632-F636 WeakPolarHBondContact O-CB 3.5Å; F632-F636 PolarHBondContact O-N 3.05Å |
| 633 | V | 78.1 | Confident | 72.6 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 179.9 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | D629 D630 N637 M791 | D629-V633 WeakPolarHBondContact O-CG2 3.32Å; D629-V633 PolarHBondContact O-N 3.37Å; D630-V633 PolarHBondContact O-N 3.36Å; V633-N637 WeakPolarHBondContact CG1-ND2 3.43Å; V633-N637 WeakPolarHBondContact O-CB 3.3Å; V633-N637 VanDerWaalsContact O-CG 3.25Å; V633-N637 PolarHBondContact O-N 3.21Å; V633-N637 PolarHBondContact O-ND2 2.94Å; V633-M791 HydrophobicContact CG1-CE 4.18Å; V633-M791 HydrophobicContact CG2-CE 3.9Å |
| 634 | F | 77.2 | Confident | 71 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60 | -53.8 | 176.5 | 174.2 | -104.3 | 0 | 0 | 0 | 112 | D630 R631 F632 N637 Q638 | D630-F634 VanDerWaalsContact O-CB 3.25Å; D630-F634 WeakPolarHBondContact O-CB 3.29Å; D630-F634 PolarHBondContact O-N 3.19Å; R631-F634 PolarHBondContact O-N 2.85Å; F632-F634 PolarHBondContact O-N 3.45Å; F634-N637 PolarHBondContact O-N 3.16Å; F634-Q638 VanDerWaalsContact CE2-NE2 3.33Å; F634-Q638 WeakPolarHBondContact O-CG 3.35Å; F634-Q638 PolarHBondContact O-N 3.27Å |
| 635 | L | 73.9 | Confident | 69.2 | Low | 12 Ų | 12 | 73.8 Ų | 73.8 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | -179.6 | -70.3 | 175.4 | 0 | 0 | 0 | 111.7 | G585 A588 R631 F632 N637 Q638 L639 | G585-L635 VanDerWaalsContact CA-CD1 3.44Å; A588-L635 HydrophobicContact CB-CB 4.08Å; R631-L635 HydrophobicContact CG-CD1 3.84Å; R631-L635 HydrophobicContact CG-CG 4.3Å; R631-L635 WeakPolarHBondContact O-CB 3.48Å; R631-L635 WeakPolarHBondContact O-CG 3.06Å; R631-L635 PolarHBondContact O-N 2.9Å; F632-L635 PolarHBondContact O-N 3.33Å; L635-N637 PolarHBondContact O-N 3.31Å; L635-Q638 PolarHBondContact O-N 3.36Å; L635-L639 WeakPolarHBondContact O-CB 3.46Å; L635-L639 VanDerWaalsContact O-CG 3.25Å; L635-L639 WeakPolarHBondContact O-CG 3.4Å; L635-L639 PolarHBondContact O-N 3.14Å |
| 636 | F | 72.5 | Confident | 67.6 | Low | 33 Ų | 33 | 66.7 Ų | 66.7 | 15% | 0.145 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 176.5 | -178.8 | -110 | 0 | 0 | 0 | 112 | A588 L591 T592 F632 Q638 L639 I640 | A588-F636 HydrophobicContact CB-CB 3.95Å; L591-F636 HydrophobicContact CB-CD2 4.21Å; L591-F636 HydrophobicContact CB-CE2 3.7Å; L591-F636 HydrophobicContact CD1-CD2 4.27Å; L591-F636 HydrophobicContact CD1-CE2 3.93Å; L591-F636 HydrophobicContact CG-CE2 4.47Å; T592-F636 HydrophobicContact CG2-CD2 3.84Å; T592-F636 HydrophobicContact CG2-CE2 3.99Å; F632-F636 WeakPolarHBondContact O-CB 3.5Å; F632-F636 PolarHBondContact O-N 3.05Å; F636-Q638 VanDerWaalsContact C-N 3.32Å; F636-Q638 PolarHBondContact O-N 3.1Å; F636-L639 PolarHBondContact O-N 3.48Å; F636-I640 HydrophobicContact CD1-CD1 3.65Å; F636-I640 HydrophobicContact CD2-CD1 3.97Å; F636-I640 HydrophobicContact CE1-CD1 3.23Å; F636-I640 HydrophobicContact CE2-CD1 3.56Å; F636-I640 HydrophobicContact CE2-CG1 4.34Å; F636-I640 HydrophobicContact CG-CD1 4.03Å; F636-I640 HydrophobicContact CZ-CD1 3.21Å; F636-I640 HydrophobicContact CZ-CG1 4.4Å; F636-I640 WeakPolarHBondContact O-CG1 3.39Å; F636-I640 PolarHBondContact O-N 2.78Å |
| 637 | N | 67.7 | Low | 65.9 | Low | 79 Ų | 79 | 60 Ų | 60 | 42% | 0.422 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 176.5 | -75.4 | -35.3 | 0 | 0 | 0 | 112.5 | V633 F634 L635 N641 | V633-N637 WeakPolarHBondContact CG1-ND2 3.43Å; V633-N637 WeakPolarHBondContact O-CB 3.3Å; V633-N637 VanDerWaalsContact O-CG 3.25Å; V633-N637 PolarHBondContact O-N 3.21Å; V633-N637 PolarHBondContact O-ND2 2.94Å; F634-N637 PolarHBondContact O-N 3.16Å; L635-N637 PolarHBondContact O-N 3.31Å; N637-N641 PolarHBondContact O-N 3.5Å |
| 638 | Q | 66.3 | Low | 63.9 | Low | 35 Ų | 35 | 62.3 Ų | 62.3 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.8 | -35.9 | 175.4 | -77.3 | -144.1 | 30.7 | 0 | 0 | 113.5 | F634 L635 F636 C646 G647 | F634-Q638 VanDerWaalsContact CE2-NE2 3.33Å; F634-Q638 WeakPolarHBondContact O-CG 3.35Å; F634-Q638 PolarHBondContact O-N 3.27Å; L635-Q638 PolarHBondContact O-N 3.36Å; F636-Q638 VanDerWaalsContact C-N 3.32Å; F636-Q638 PolarHBondContact O-N 3.1Å; Q638-C646 HydrophobicContact CB-CB 4.19Å; Q638-C646 PolarHBondContact OE1-SG 3Å; Q638-G647 PolarHBondContact O-N 3.34Å |
| 639 | L | 65.9 | Low | 62.2 | Low | 26 Ų | 26 | 61.8 Ų | 61.8 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -80.6 | -28.4 | -178.9 | -71.3 | 169.4 | 0 | 0 | 0 | 112.6 | A588 L589 T592 L635 F636 L650 | A588-L639 HydrophobicContact CB-CD1 4.16Å; L589-L639 HydrophobicContact CB-CD1 4.34Å; L589-L639 HydrophobicContact CD1-CD1 4.43Å; T592-L639 HydrophobicContact CG2-CB 3.78Å; L635-L639 WeakPolarHBondContact O-CB 3.46Å; L635-L639 VanDerWaalsContact O-CG 3.25Å; L635-L639 WeakPolarHBondContact O-CG 3.4Å; L635-L639 PolarHBondContact O-N 3.14Å; F636-L639 PolarHBondContact O-N 3.48Å; L639-L650 HydrophobicContact CD2-CD1 3.78Å |
| 640 | I | 63.2 | Low | 60.7 | Low | 72 Ų | 72 | 61 Ų | 61 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.4 | -38.9 | 174.4 | -71.1 | 171.2 | 0 | 0 | 0 | 112 | T592 F636 P642 | T592-I640 HydrophobicContact CG2-CD1 4.31Å; T592-I640 HydrophobicContact CG2-CG1 3.54Å; F636-I640 HydrophobicContact CD1-CD1 3.65Å; F636-I640 HydrophobicContact CD2-CD1 3.97Å; F636-I640 HydrophobicContact CE1-CD1 3.23Å; F636-I640 HydrophobicContact CE2-CD1 3.56Å; F636-I640 HydrophobicContact CE2-CG1 4.34Å; F636-I640 HydrophobicContact CG-CD1 4.03Å; F636-I640 HydrophobicContact CZ-CD1 3.21Å; F636-I640 HydrophobicContact CZ-CG1 4.4Å; F636-I640 WeakPolarHBondContact O-CG1 3.39Å; F636-I640 PolarHBondContact O-N 2.78Å; I640-P642 VanDerWaalsContact O-CD 3.26Å; I640-P642 WeakPolarHBondContact O-CD 3.27Å |
| 641 | N | 53.1 | Low | 58.9 | Low | 91 Ų | 91 | 56.9 Ų | 56.9 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | trans | -76.7 | 117.4 | -177.1 | -94.7 | -40.8 | 0 | 0 | 0 | 110.5 | N637 F643 G644 | N637-N641 PolarHBondContact O-N 3.5Å; N641-F643 PolarHBondContact O-N 3.12Å; N641-G644 PolarHBondContact O-N 2.75Å | ||
| 642 | P | 46.8 | Very low | 57.2 | Low | 73 Ų | 73 | 62.1 Ų | 62.1 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.2 | 174.6 | 24.1 | -31.5 | 0 | 0 | 0 | 112.5 | I640 N648 L651 | I640-P642 VanDerWaalsContact O-CD 3.26Å; I640-P642 WeakPolarHBondContact O-CD 3.27Å; P642-N648 PolarHBondContact O-OD1 3.37Å; P642-N648 VanDerWaalsContact O-OD1 3.09Å; P642-L651 HydrophobicContact CB-CD1 4.2Å |
| 643 | F | 37.1 | Very low | 55.5 | Low | 180 Ų | 180 | 64.3 Ų | 64.3 | 79% | 0.789 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.4 | 175.3 | -57.2 | -74.2 | 0 | 0 | 0 | 114.3 | N641 N648 | N641-F643 PolarHBondContact O-N 3.12Å; F643-N648 VanDerWaalsContact C-ND2 3.35Å; F643-N648 PolarHBondContact O-ND2 3.47Å |
| 644 | G | 45.1 | Very low | 53.9 | Low | 15 Ų | 15 | 64.2 Ų | 64.2 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -68.1 | 151.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N641 G647 N648 | N641-G644 PolarHBondContact O-N 2.75Å; G644-G647 PolarHBondContact O-N 3.35Å; G644-N648 WeakPolarHBondContact O-CB 3.41Å; G644-N648 PolarHBondContact O-N 3.05Å; G644-N648 PolarHBondContact O-ND2 2.98Å |
| 645 | Y | 42.7 | Very low | 52.2 | Low | 144 Ų | 144 | 62.2 Ų | 62.2 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.7 | -41.2 | -176.4 | -177.4 | -109.3 | 0 | 0 | 0 | 112.7 | N648 K649 | Y645-N648 PolarHBondContact O-N 3.23Å; Y645-K649 HydrophobicContact CD1-CD 4.3Å; Y645-K649 HydrophobicContact CE1-CD 3.91Å; Y645-K649 WeakPolarHBondContact O-CB 3.2Å; Y645-K649 WeakPolarHBondContact O-CG 3.41Å; Y645-K649 PolarHBondContact O-N 3.42Å; Y645-K649 VanDerWaalsContact OH-CE 3.22Å; Y645-K649 WeakPolarHBondContact OH-CE 3.45Å; Y645-K649 PolarHBondContact OH-NZ 2.96Å |
| 646 | C | 45.9 | Very low | 50.8 | Low | 32 Ų | 32 | 67 Ų | 67 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 171.8 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | Q638 N648 K649 L650 | Q638-C646 HydrophobicContact CB-CB 4.19Å; Q638-C646 PolarHBondContact OE1-SG 3Å; C646-N648 VanDerWaalsContact C-N 3.34Å; C646-N648 PolarHBondContact O-N 3.06Å; C646-K649 PolarHBondContact O-N 3.32Å; C646-L650 WeakPolarHBondContact O-CB 3.46Å; C646-L650 PolarHBondContact O-N 3.48Å |
| 647 | G | 47.2 | Very low | 49.2 | Very low | 4 Ų | 4 | 71.7 Ų | 71.7 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.2 | -46.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | Q638 G644 L651 | Q638-G647 PolarHBondContact O-N 3.34Å; G644-G647 PolarHBondContact O-N 3.35Å; G647-L651 WeakPolarHBondContact O-CA 3.33Å; G647-L651 WeakPolarHBondContact O-CB 3.5Å; G647-L651 VanDerWaalsContact O-CD1 3.3Å; G647-L651 WeakPolarHBondContact O-CD1 3.44Å; G647-L651 WeakPolarHBondContact O-CG 3.44Å; G647-L651 PolarHBondContact O-N 3.27Å |
| 648 | N | 44.4 | Very low | 47.6 | Very low | 61 Ų | 61 | 76.2 Ų | 76.2 | 33% | 0.326 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.5 | -31.2 | 176.3 | -88.5 | -45 | 0 | 0 | 0 | 113.6 | P642 F643 G644 Y645 C646 K652 | P642-N648 PolarHBondContact O-OD1 3.37Å; P642-N648 VanDerWaalsContact O-OD1 3.09Å; F643-N648 VanDerWaalsContact C-ND2 3.35Å; F643-N648 PolarHBondContact O-ND2 3.47Å; G644-N648 WeakPolarHBondContact O-CB 3.41Å; G644-N648 PolarHBondContact O-N 3.05Å; G644-N648 PolarHBondContact O-ND2 2.98Å; Y645-N648 PolarHBondContact O-N 3.23Å; C646-N648 VanDerWaalsContact C-N 3.34Å; C646-N648 PolarHBondContact O-N 3.06Å; N648-K652 WeakPolarHBondContact O-CA 3.31Å; N648-K652 WeakPolarHBondContact O-CB 3.45Å; N648-K652 VanDerWaalsContact O-CG 3.28Å; N648-K652 WeakPolarHBondContact O-CG 3.48Å; N648-K652 PolarHBondContact O-N 3.46Å |
| 649 | K | 49.5 | Very low | 46 | Very low | 60 Ų | 60 | 84 Ų | 84 | 26% | 0.261 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.6 | -51 | 172.7 | -87.4 | -175.6 | 169.4 | -178.6 | 0 | 110.1 | Y645 C646 L651 K652 F653 | Y645-K649 HydrophobicContact CD1-CD 4.3Å; Y645-K649 HydrophobicContact CE1-CD 3.91Å; Y645-K649 WeakPolarHBondContact O-CB 3.2Å; Y645-K649 WeakPolarHBondContact O-CG 3.41Å; Y645-K649 PolarHBondContact O-N 3.42Å; Y645-K649 VanDerWaalsContact OH-CE 3.22Å; Y645-K649 WeakPolarHBondContact OH-CE 3.45Å; Y645-K649 PolarHBondContact OH-NZ 2.96Å; C646-K649 PolarHBondContact O-N 3.32Å; K649-L651 VanDerWaalsContact C-N 3.34Å; K649-L651 PolarHBondContact O-N 3.11Å; K649-K652 PolarHBondContact O-N 3.48Å; K649-F653 VanDerWaalsContact O-CB 3.27Å; K649-F653 WeakPolarHBondContact O-CB 3.27Å; K649-F653 VanDerWaalsContact O-CD2 3.3Å; K649-F653 WeakPolarHBondContact O-CD2 3.49Å; K649-F653 PolarHBondContact O-N 2.82Å |
| 650 | L | 50.7 | Low | 44.2 | Very low | 31 Ų | 31 | 90.8 Ų | 90.8 | 16% | 0.162 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 173.9 | -110.8 | 144.1 | 0 | 0 | 0 | 110.9 | L589 L639 C646 F653 L654 | L589-L650 HydrophobicContact CD1-CD1 4.48Å; L639-L650 HydrophobicContact CD2-CD1 3.78Å; C646-L650 WeakPolarHBondContact O-CB 3.46Å; C646-L650 PolarHBondContact O-N 3.48Å; L650-F653 CarbonylContact O-C 3.52Å; L650-F653 PolarHBondContact O-N 3.28Å; L650-L654 HydrophobicContact CD2-CD1 3.97Å; L650-L654 HydrophobicContact CD2-CG 4.46Å; L650-L654 WeakPolarHBondContact O-CB 3.49Å; L650-L654 WeakPolarHBondContact O-CD1 3.47Å; L650-L654 WeakPolarHBondContact O-CG 3.24Å; L650-L654 PolarHBondContact O-N 2.96Å |
| 651 | L | 45 | Very low | 42.5 | Very low | 51 Ų | 51 | 96.8 Ų | 96.8 | 27% | 0.267 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 174.8 | -83.2 | 155.9 | 0 | 0 | 0 | 110.7 | P642 G647 K649 F653 L654 S655 | P642-L651 HydrophobicContact CB-CD1 4.2Å; G647-L651 WeakPolarHBondContact O-CA 3.33Å; G647-L651 WeakPolarHBondContact O-CB 3.5Å; G647-L651 VanDerWaalsContact O-CD1 3.3Å; G647-L651 WeakPolarHBondContact O-CD1 3.44Å; G647-L651 WeakPolarHBondContact O-CG 3.44Å; G647-L651 PolarHBondContact O-N 3.27Å; K649-L651 VanDerWaalsContact C-N 3.34Å; K649-L651 PolarHBondContact O-N 3.11Å; L651-F653 VanDerWaalsContact C-N 3.33Å; L651-F653 PolarHBondContact O-N 2.79Å; L651-L654 CarbonylContact O-C 3.54Å; L651-L654 WeakPolarHBondContact O-CA 3.42Å; L651-L654 PolarHBondContact O-N 3.39Å; L651-L654 VanDerWaalsContact O-N 3.07Å; L651-S655 VanDerWaalsContact C-OG 3.25Å; L651-S655 WeakPolarHBondContact O-CA 3.42Å; L651-S655 WeakPolarHBondContact O-CB 3.38Å; L651-S655 PolarHBondContact O-N 3.14Å; L651-S655 PolarHBondContact O-OG 3.1Å |
| 652 | K | 46.7 | Very low | 41.2 | Very low | 136 Ų | 136 | 96.3 Ų | 96.3 | 59% | 0.591 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.8 | -43.4 | 174.9 | -84.7 | -178 | 170.7 | -175.2 | 0 | 111.7 | N648 K649 L654 S655 D656 | N648-K652 WeakPolarHBondContact O-CA 3.31Å; N648-K652 WeakPolarHBondContact O-CB 3.45Å; N648-K652 VanDerWaalsContact O-CG 3.28Å; N648-K652 WeakPolarHBondContact O-CG 3.48Å; N648-K652 PolarHBondContact O-N 3.46Å; K649-K652 PolarHBondContact O-N 3.48Å; K652-L654 VanDerWaalsContact C-N 3.27Å; K652-L654 PolarHBondContact O-N 2.73Å; K652-S655 PolarHBondContact O-N 2.95Å; K652-S655 VanDerWaalsContact O-N 3.16Å; K652-D656 WeakPolarHBondContact O-CB 3.13Å; K652-D656 PolarHBondContact O-N 3Å |
| 653 | F | 47.2 | Very low | 40.6 | Very low | 57 Ų | 57 | 99.1 Ų | 99.1 | 25% | 0.25 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -59.7 | -37.6 | 173.6 | -99.1 | -86.6 | 0 | 0 | 0 | 112.6 | C495 I505 K649 L650 L651 | C495-F653 VanDerWaalsContact C-CZ 3.47Å; C495-F653 HydrophobicContact CB-CD2 4.3Å; C495-F653 HydrophobicContact CB-CE1 3.89Å; C495-F653 HydrophobicContact CB-CE2 3.24Å; C495-F653 HydrophobicContact CB-CZ 3.02Å; I505-F653 HydrophobicContact CD1-CB 4.25Å; I505-F653 HydrophobicContact CD1-CD1 4.28Å; K649-F653 VanDerWaalsContact O-CB 3.27Å; K649-F653 WeakPolarHBondContact O-CB 3.27Å; K649-F653 VanDerWaalsContact O-CD2 3.3Å; K649-F653 WeakPolarHBondContact O-CD2 3.49Å; K649-F653 PolarHBondContact O-N 2.82Å; L650-F653 CarbonylContact O-C 3.52Å; L650-F653 PolarHBondContact O-N 3.28Å; L651-F653 VanDerWaalsContact C-N 3.33Å; L651-F653 PolarHBondContact O-N 2.79Å |
| 654 | L | 43.6 | Very low | 40.3 | Very low | 43 Ų | 43 | 98.9 Ų | 98.9 | 23% | 0.225 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -83.5 | -16.8 | 177.8 | -68.2 | 169.4 | 0 | 0 | 0 | 113.2 | I505 Y598 L650 L651 K652 | I505-L654 HydrophobicContact CD1-CD2 4.33Å; I505-L654 HydrophobicContact CG2-CD2 4.14Å; Y598-L654 HydrophobicContact CE1-CD1 4.22Å; L650-L654 HydrophobicContact CD2-CD1 3.97Å; L650-L654 HydrophobicContact CD2-CG 4.46Å; L650-L654 WeakPolarHBondContact O-CB 3.49Å; L650-L654 WeakPolarHBondContact O-CD1 3.47Å; L650-L654 WeakPolarHBondContact O-CG 3.24Å; L650-L654 PolarHBondContact O-N 2.96Å; L651-L654 CarbonylContact O-C 3.54Å; L651-L654 WeakPolarHBondContact O-CA 3.42Å; L651-L654 PolarHBondContact O-N 3.39Å; L651-L654 VanDerWaalsContact O-N 3.07Å; K652-L654 VanDerWaalsContact C-N 3.27Å; K652-L654 PolarHBondContact O-N 2.73Å |
| 655 | S | 41.5 | Very low | 39.7 | Very low | 71 Ų | 71 | 101.9 Ų | 101.9 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -123.4 | 4.2 | -169.6 | 62.9 | 0 | 0 | 0 | 0 | 116.2 | L651 K652 E657 | L651-S655 VanDerWaalsContact C-OG 3.25Å; L651-S655 WeakPolarHBondContact O-CA 3.42Å; L651-S655 WeakPolarHBondContact O-CB 3.38Å; L651-S655 PolarHBondContact O-N 3.14Å; L651-S655 PolarHBondContact O-OG 3.1Å; K652-S655 PolarHBondContact O-N 2.95Å; K652-S655 VanDerWaalsContact O-N 3.16Å; S655-E657 PolarHBondContact O-N 3.41Å |
| 656 | D | 44.4 | Very low | 39.6 | Very low | 113 Ų | 113 | 99.4 Ų | 99.4 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | trans | -68.5 | 46.5 | 168.5 | -96 | -12.7 | 0 | 0 | 0 | 112.8 | K652 Q658 | K652-D656 WeakPolarHBondContact O-CB 3.13Å; K652-D656 PolarHBondContact O-N 3Å; D656-Q658 PolarHBondContact O-N 3.13Å; D656-Q658 VanDerWaalsContact O-N 3.12Å | ||
| 657 | E | 38.7 | Very low | 39.1 | Very low | 132 Ų | 132 | 98.1 Ų | 98.1 | 62% | 0.617 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 19.2 | 175.4 | -74 | -161.4 | 152.8 | 0 | 0 | 113.9 | S655 | S655-E657 PolarHBondContact O-N 3.41Š|
| 658 | Q | 35.6 | Very low | 39.1 | Very low | 173 Ų | 173 | 99.1 Ų | 99.1 | 81% | 0.808 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.1 | -176.6 | -74.1 | -162.5 | -11.9 | 0 | 0 | 115.8 | D656 | D656-Q658 PolarHBondContact O-N 3.13Å; D656-Q658 VanDerWaalsContact O-N 3.12Å |
| 659 | Y | 31.2 | Very low | 38.8 | Very low | 198 Ų | 198 | 96.4 Ų | 96.4 | 78% | 0.776 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -128.8 | 105.7 | 175.2 | -75.1 | -87.2 | 0 | 0 | 0 | 111.4 | ||
| 660 | H | 29.3 | Very low | 38.4 | Very low | 170 Ų | 170 | 94.3 Ų | 94.3 | 79% | 0.787 | 46% | 0.456 | S | S | * | . | trans | 84.4 | 97.5 | 173.9 | -51 | -66.6 | 0 | 0 | 0 | 116.5 | P662 | H660-P662 VanDerWaalsContact O-CD 3.22Å; H660-P662 WeakPolarHBondContact O-CD 3.42Å | ||
| 661 | Q | 26.1 | Very low | 37.9 | Very low | 197 Ų | 197 | 93.5 Ų | 93.5 | 92% | 0.921 | 45% | 0.452 | S | S | * | . | trans | -50 | 124.3 | 158.1 | -72.9 | 178 | -23.4 | 0 | 0 | 109.6 | ||||
| 662 | P | 27.4 | Very low | 37.9 | Very low | 82 Ų | 82 | 92.1 Ų | 92.1 | 53% | 0.532 | 44% | 0.444 | S | S | . | . | -148.1 | 118.2 | 111.8 | 30.8 | -10.8 | 0 | 0 | 0 | 114.1 | H660 | H660-P662 VanDerWaalsContact O-CD 3.22Å; H660-P662 WeakPolarHBondContact O-CD 3.42Å | |||
| 663 | N | 32.5 | Very low | 37.6 | Very low | 131 Ų | 131 | 86.3 Ų | 86.3 | 70% | 0.701 | 42% | 0.418 | S | S | * | . | trans | 54.8 | 112.3 | 153.1 | -64.6 | -17.4 | 0 | 0 | 0 | 119.4 | N665 | N663-N665 VanDerWaalsContact C-N 3.27Å; N663-N665 PolarHBondContact O-N 2.95Å | ||
| 664 | K | 31.9 | Very low | 37.3 | Very low | 176 Ų | 176 | 83.8 Ų | 83.8 | 77% | 0.765 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -63.4 | 15.3 | -176.5 | -73 | -176.6 | 168.5 | -174.2 | 0 | 118.5 | ||
| 665 | N | 33.1 | Very low | 37.2 | Very low | 78 Ų | 78 | 86.6 Ų | 86.6 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | trans | -128.8 | 33.7 | -168.3 | -72.4 | 13.2 | 0 | 0 | 0 | 115.4 | N663 T667 K672 | N663-N665 VanDerWaalsContact C-N 3.27Å; N663-N665 PolarHBondContact O-N 2.95Å; N665-T667 PolarHBondContact O-N 3.27Å; N665-K672 PolarHBondContact O-NZ 3.46Å | ||
| 666 | K | 39.2 | Very low | 37 | Very low | 91 Ų | 91 | 85.4 Ų | 85.4 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | trans | -94.6 | 65.8 | -172.8 | -64.8 | -175.6 | -174.5 | 174.8 | 0 | 113.2 | Y88 | Y88-K666 HydrophobicContact CE1-CD 4.45Š| ||
| 667 | T | 36.6 | Very low | 36.5 | Very low | 6 Ų | 6 | 80.4 Ų | 80.4 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | trans | -71 | 147.5 | 161.6 | -11.4 | 0 | 0 | 0 | 0 | 109.7 | Y83 D602 N665 F669 N671 K672 | Y83-T667 PolarHBondContact OH-O 3.39Å; Y83-T667 VanDerWaalsContact OH-O 3.07Å; D602-T667 HydrophobicContact CB-CG2 3.97Å; D602-T667 WeakPolarHBondContact OD1-CB 3.39Å; D602-T667 WeakPolarHBondContact OD1-CG2 3.48Å; D602-T667 PolarHBondContact OD1-OG1 2.95Å; N665-T667 PolarHBondContact O-N 3.27Å; T667-F669 PolarHBondContact O-N 3.19Å; T667-N671 HydrophobicContact CG2-CB 4.36Å; T667-K672 HydrophobicContact CG2-CG 4.14Å; T667-K672 WeakPolarHBondContact OG1-CD 3.37Å; T667-K672 WeakPolarHBondContact OG1-CE 3.34Å; T667-K672 WeakPolarHBondContact OG1-CG 3.43Å | ||
| 668 | L | 45.7 | Very low | 36.3 | Very low | 24 Ų | 24 | 76.1 Ų | 76.1 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | trans | -58.6 | 129.1 | 170.2 | -74.9 | 171 | 0 | 0 | 0 | 109.8 | L415 S418 L604 L670 N671 K672 | L415-L668 HydrophobicContact CB-CD2 4.33Å; L415-L668 HydrophobicContact CD2-CD2 3.33Å; L415-L668 HydrophobicContact CG-CD2 3.61Å; S418-L668 WeakPolarHBondContact OG-CD1 3.42Å; S418-L668 VanDerWaalsContact OG-CD2 3.28Å; S418-L668 WeakPolarHBondContact OG-CD2 3.36Å; L604-L668 HydrophobicContact CD1-CB 4.26Å; L604-L668 HydrophobicContact CD1-CD1 3.09Å; L604-L668 HydrophobicContact CD1-CG 3.52Å; L604-L668 HydrophobicContact CD2-CB 4.31Å; L604-L668 HydrophobicContact CD2-CD1 3.49Å; L604-L668 VanDerWaalsContact CD2-CD1 3.49Å; L604-L668 HydrophobicContact CD2-CG 4.31Å; L604-L668 HydrophobicContact CG-CD1 3.8Å; L604-L668 HydrophobicContact CG-CG 4.42Å; L668-L670 PolarHBondContact O-N 3.15Å; L668-N671 HydrophobicContact CB-CB 4.48Å; L668-N671 PolarHBondContact O-N 2.89Å; L668-K672 PolarHBondContact O-N 3.35Å | ||
| 669 | F | 37.9 | Very low | 36.2 | Very low | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -34.6 | -50.5 | 174.6 | 162.7 | -113.6 | 0 | 0 | 0 | 113.1 | I79 Y83 L125 L355 T667 K672 W673 | I79-F669 HydrophobicContact CD1-CE2 4.44Å; I79-F669 HydrophobicContact CD1-CZ 4.14Å; I79-F669 HydrophobicContact CG1-CE2 4.1Å; I79-F669 HydrophobicContact CG1-CZ 3.86Å; I79-F669 HydrophobicContact CG2-CZ 4.06Å; Y83-F669 HydrophobicContact CD1-CB 3.69Å; Y83-F669 HydrophobicContact CD1-CD2 4.26Å; Y83-F669 HydrophobicContact CD1-CG 4.24Å; Y83-F669 HydrophobicContact CD2-CB 4.29Å; Y83-F669 AromaticContact CD2-CD2 3.65Å; Y83-F669 HydrophobicContact CD2-CD2 3.65Å; Y83-F669 HydrophobicContact CD2-CG 4.38Å; Y83-F669 HydrophobicContact CE1-CB 3.68Å; Y83-F669 HydrophobicContact CE2-CB 4.26Å; Y83-F669 HydrophobicContact CE2-CD2 4.18Å; Y83-F669 HydrophobicContact CG-CB 3.99Å; Y83-F669 AromaticContact CG-CD2 3.66Å; Y83-F669 HydrophobicContact CG-CD2 3.66Å; Y83-F669 HydrophobicContact CG-CG 4.1Å; L125-F669 HydrophobicContact CD2-CD2 3.77Å; L125-F669 HydrophobicContact CD2-CE2 3.4Å; L125-F669 VanDerWaalsContact CD2-CE2 3.4Å; L355-F669 HydrophobicContact CB-CE1 4.41Å; L355-F669 HydrophobicContact CD1-CD1 4.42Å; L355-F669 HydrophobicContact CD1-CE1 3.53Å; L355-F669 HydrophobicContact CD1-CZ 3.65Å; L355-F669 HydrophobicContact CD2-CE1 3.91Å; L355-F669 HydrophobicContact CD2-CZ 3.63Å; L355-F669 HydrophobicContact CG-CE1 4.19Å; L355-F669 HydrophobicContact CG-CZ 4.26Å; T667-F669 PolarHBondContact O-N 3.19Å; F669-K672 PolarHBondContact O-N 2.66Å; F669-W673 VanDerWaalsContact O-CB 3.22Å; F669-W673 WeakPolarHBondContact O-CB 3.35Å; F669-W673 PolarHBondContact O-N 3.22Å |
| 670 | L | 41.1 | Very low | 36.3 | Very low | 16 Ų | 16 | 66.8 Ų | 66.8 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 179.9 | -70.1 | 167 | 0 | 0 | 0 | 111.6 | D354 L355 L668 K672 W673 F674 | D354-L670 HydrophobicContact CB-CD1 3.88Å; D354-L670 HydrophobicContact CB-CD2 4.33Å; L355-L670 HydrophobicContact CB-CD2 3.83Å; L355-L670 HydrophobicContact CD1-CD2 3.49Å; L355-L670 VanDerWaalsContact CD1-CD2 3.49Å; L355-L670 HydrophobicContact CG-CD2 4.3Å; L668-L670 PolarHBondContact O-N 3.15Å; L670-K672 PolarHBondContact O-N 3.2Å; L670-W673 PolarHBondContact O-N 2.81Å; L670-F674 VanDerWaalsContact C-CD2 3.45Å; L670-F674 HydrophobicContact CB-CD2 3.95Å; L670-F674 HydrophobicContact CB-CE2 3.73Å; L670-F674 HydrophobicContact CD2-CE2 3.55Å; L670-F674 HydrophobicContact CD2-CZ 4.09Å; L670-F674 HydrophobicContact CG-CE2 4.2Å; L670-F674 VanDerWaalsContact O-CB 3.23Å; L670-F674 WeakPolarHBondContact O-CB 3.3Å; L670-F674 WeakPolarHBondContact O-CD2 3.46Å; L670-F674 VanDerWaalsContact O-CG 3.29Å; L670-F674 WeakPolarHBondContact O-CG 3.35Å; L670-F674 PolarHBondContact O-N 2.89Å |
| 671 | N | 41 | Very low | 36.4 | Very low | 14 Ų | 14 | 64.7 Ų | 64.7 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.4 | -39.8 | -177.6 | -167.6 | -1.7 | 0 | 0 | 0 | 112.4 | L604 T667 L668 R675 | L604-N671 HydrophobicContact CD2-CB 3.95Å; L604-N671 VanDerWaalsContact CD2-ND2 3.33Å; L604-N671 WeakPolarHBondContact CD2-ND2 2.99Å; T667-N671 HydrophobicContact CG2-CB 4.36Å; L668-N671 HydrophobicContact CB-CB 4.48Å; L668-N671 PolarHBondContact O-N 2.89Å; N671-R675 VanDerWaalsContact O-CB 3.28Å; N671-R675 WeakPolarHBondContact O-CB 3.4Å; N671-R675 WeakPolarHBondContact O-CG 3.47Å; N671-R675 PolarHBondContact O-N 3.32Å; N671-R675 PolarHBondContact OD1-NE 3.49Å |
| 672 | K | 44.3 | Very low | 36.5 | Very low | 22 Ų | 22 | 61.8 Ų | 61.8 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 174.3 | -97.9 | 176.6 | 160.7 | -173.9 | 0 | 112.1 | D126 N665 T667 L668 F669 L670 R675 S676 | D126-K672 HydrophobicContact CB-CD 4.02Å; D126-K672 PolarHBondContact O-NZ 2.92Å; D126-K672 VanDerWaalsContact O-NZ 3.09Å; D126-K672 WeakPolarHBondContact OD2-CE 3.32Å; D126-K672 IonicContact OD2-NZ 3.58Å; D126-K672 PolarHBondContact OD2-NZ 3.29Å; N665-K672 PolarHBondContact O-NZ 3.46Å; T667-K672 HydrophobicContact CG2-CG 4.14Å; T667-K672 WeakPolarHBondContact OG1-CD 3.37Å; T667-K672 WeakPolarHBondContact OG1-CE 3.34Å; T667-K672 WeakPolarHBondContact OG1-CG 3.43Å; L668-K672 PolarHBondContact O-N 3.35Å; F669-K672 PolarHBondContact O-N 2.66Å; L670-K672 PolarHBondContact O-N 3.2Å; K672-R675 PolarHBondContact O-N 2.99Å; K672-S676 WeakPolarHBondContact O-CB 3.32Å; K672-S676 PolarHBondContact O-N 2.89Å |
| 673 | W | 40.8 | Very low | 36.6 | Very low | 14 Ų | 14 | 65 Ų | 65 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 177.7 | -166.9 | 78.4 | 0 | 0 | 0 | 111 | L291 L355 A359 F669 L670 R675 S676 L677 | L291-W673 HydrophobicContact CB-CH2 4.25Å; L291-W673 HydrophobicContact CB-CZ2 4.26Å; L291-W673 HydrophobicContact CD2-CH2 3.33Å; L291-W673 HydrophobicContact CD2-CZ2 4.01Å; L291-W673 HydrophobicContact CD2-CZ3 4.01Å; L291-W673 HydrophobicContact CG-CH2 4.26Å; L355-W673 HydrophobicContact CD1-CB 4.4Å; L355-W673 HydrophobicContact CD1-CD2 3.48Å; L355-W673 VanDerWaalsContact CD1-CD2 3.48Å; L355-W673 HydrophobicContact CD1-CE3 3.05Å; L355-W673 HydrophobicContact CD1-CG 4.08Å; L355-W673 HydrophobicContact CD1-CH2 4.24Å; L355-W673 HydrophobicContact CD1-CZ3 3.45Å; L355-W673 VanDerWaalsContact CD1-CZ3 3.45Å; L355-W673 HydrophobicContact CG-CD2 4.3Å; L355-W673 HydrophobicContact CG-CE3 3.83Å; L355-W673 HydrophobicContact CG-CH2 4.12Å; L355-W673 HydrophobicContact CG-CZ3 3.68Å; A359-W673 HydrophobicContact CB-CH2 4.03Å; A359-W673 HydrophobicContact CB-CZ3 3.96Å; F669-W673 VanDerWaalsContact O-CB 3.22Å; F669-W673 WeakPolarHBondContact O-CB 3.35Å; F669-W673 PolarHBondContact O-N 3.22Å; L670-W673 PolarHBondContact O-N 2.81Å; W673-R675 PolarHBondContact O-N 2.89Å; W673-S676 WeakPolarHBondContact O-CB 3.27Å; W673-S676 PolarHBondContact O-N 3.35Å; W673-S676 VanDerWaalsContact O-N 3.14Å; W673-S676 PolarHBondContact O-OG 3.33Å; W673-L677 HydrophobicContact CD2-CD1 3.46Å; W673-L677 VanDerWaalsContact CD2-CD1 3.46Å; W673-L677 HydrophobicContact CD2-CG 4.35Å; W673-L677 HydrophobicContact CE3-CD1 3.09Å; W673-L677 HydrophobicContact CE3-CG 4.34Å; W673-L677 HydrophobicContact CG-CD1 4.39Å; W673-L677 HydrophobicContact CH2-CD1 3.27Å; W673-L677 HydrophobicContact CH2-CG 4.47Å; W673-L677 HydrophobicContact CZ2-CD1 3.63Å; W673-L677 HydrophobicContact CZ2-CD2 4.4Å; W673-L677 HydrophobicContact CZ2-CG 4.49Å; W673-L677 HydrophobicContact CZ3-CD1 3.03Å; W673-L677 HydrophobicContact CZ3-CG 4.44Å; W673-L677 WeakPolarHBondContact O-CB 3.49Å; W673-L677 WeakPolarHBondContact O-CD1 3.35Å; W673-L677 WeakPolarHBondContact O-CG 3.22Å; W673-L677 PolarHBondContact O-N 2.93Å |
| 674 | F | 40.5 | Very low | 36.2 | Very low | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 173 | -72.8 | -55.4 | 0 | 0 | 0 | 112.2 | L355 A359 F422 L670 S676 L677 T678 | L355-F674 HydrophobicContact CD1-CZ 4.14Å; L355-F674 WeakPolarHBondContact O-CZ 3.44Å; A359-F674 HydrophobicContact CB-CE1 4.4Å; F422-F674 AromaticContact CD1-CD2 3.94Å; F422-F674 HydrophobicContact CD1-CD2 3.94Å; F422-F674 HydrophobicContact CD1-CE2 4.26Å; F422-F674 HydrophobicContact CE1-CB 4.27Å; F422-F674 AromaticContact CE1-CD2 3.31Å; F422-F674 HydrophobicContact CE1-CD2 3.31Å; F422-F674 AromaticContact CE1-CE2 3.98Å; F422-F674 HydrophobicContact CE1-CE2 3.98Å; F422-F674 AromaticContact CE1-CG 3.79Å; F422-F674 HydrophobicContact CE1-CG 3.79Å; F422-F674 HydrophobicContact CZ-CB 4.28Å; F422-F674 HydrophobicContact CZ-CD2 4.1Å; F422-F674 HydrophobicContact CZ-CG 4.3Å; L670-F674 VanDerWaalsContact C-CD2 3.45Å; L670-F674 HydrophobicContact CB-CD2 3.95Å; L670-F674 HydrophobicContact CB-CE2 3.73Å; L670-F674 HydrophobicContact CD2-CE2 3.55Å; L670-F674 HydrophobicContact CD2-CZ 4.09Å; L670-F674 HydrophobicContact CG-CE2 4.2Å; L670-F674 VanDerWaalsContact O-CB 3.23Å; L670-F674 WeakPolarHBondContact O-CB 3.3Å; L670-F674 WeakPolarHBondContact O-CD2 3.46Å; L670-F674 VanDerWaalsContact O-CG 3.29Å; L670-F674 WeakPolarHBondContact O-CG 3.35Å; L670-F674 PolarHBondContact O-N 2.89Å; F674-S676 VanDerWaalsContact C-N 3.3Å; F674-S676 PolarHBondContact O-N 3.18Å; F674-L677 HydrophobicContact CD1-CD1 4.2Å; F674-L677 HydrophobicContact CE1-CD1 4.37Å; F674-L677 CarbonylContact O-C 3.6Å; F674-L677 WeakPolarHBondContact O-CA 3.14Å; F674-L677 WeakPolarHBondContact O-CB 3.32Å; F674-L677 PolarHBondContact O-N 3.24Å; F674-T678 WeakPolarHBondContact O-CB 3.41Å; F674-T678 WeakPolarHBondContact O-CG2 3.48Å; F674-T678 PolarHBondContact O-N 2.7Å; F674-T678 PolarHBondContact O-OG1 3.1Å |
| 675 | R | 42.1 | Very low | 35.8 | Very low | 102 Ų | 102 | 64.7 Ų | 64.7 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.5 | -30.2 | 173.5 | -75.3 | 178.7 | -174.7 | -174.5 | 2.9 | 114.1 | D601 N671 K672 W673 L677 T678 | D601-R675 PolarHBondContact O-NH1 2.87Å; D601-R675 PolarHBondContact O-NH2 3.31Å; N671-R675 VanDerWaalsContact O-CB 3.28Å; N671-R675 WeakPolarHBondContact O-CB 3.4Å; N671-R675 WeakPolarHBondContact O-CG 3.47Å; N671-R675 PolarHBondContact O-N 3.32Å; N671-R675 PolarHBondContact OD1-NE 3.49Å; K672-R675 PolarHBondContact O-N 2.99Å; W673-R675 PolarHBondContact O-N 2.89Å; R675-L677 PolarHBondContact O-N 3.31Å; R675-T678 VanDerWaalsContact O-O 3.11Å |
| 676 | S | 37 | Very low | 35.4 | Very low | 47 Ų | 47 | 65.9 Ų | 65.9 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.7 | -25.2 | 171.9 | 79.8 | 0 | 0 | 0 | 0 | 111.8 | K672 W673 F674 | K672-S676 WeakPolarHBondContact O-CB 3.32Å; K672-S676 PolarHBondContact O-N 2.89Å; W673-S676 WeakPolarHBondContact O-CB 3.27Å; W673-S676 PolarHBondContact O-N 3.35Å; W673-S676 VanDerWaalsContact O-N 3.14Å; W673-S676 PolarHBondContact O-OG 3.33Å; F674-S676 VanDerWaalsContact C-N 3.3Å; F674-S676 PolarHBondContact O-N 3.18Å |
| 677 | L | 33.7 | Very low | 34.7 | Very low | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -92.4 | -50.4 | -179.1 | -72.3 | 169.4 | 0 | 0 | 0 | 113 | N295 R298 W673 F674 R675 N679 | N295-L677 HydrophobicContact CB-CD2 4.07Å; N295-L677 WeakPolarHBondContact OD1-CD2 3.45Å; R298-L677 PolarHBondContact NE-O 3.08Å; R298-L677 VanDerWaalsContact NH2-C 3.33Å; R298-L677 VanDerWaalsContact NH2-CA 3.32Å; R298-L677 PolarHBondContact NH2-O 2.86Å; W673-L677 HydrophobicContact CD2-CD1 3.46Å; W673-L677 VanDerWaalsContact CD2-CD1 3.46Å; W673-L677 HydrophobicContact CD2-CG 4.35Å; W673-L677 HydrophobicContact CE3-CD1 3.09Å; W673-L677 HydrophobicContact CE3-CG 4.34Å; W673-L677 HydrophobicContact CG-CD1 4.39Å; W673-L677 HydrophobicContact CH2-CD1 3.27Å; W673-L677 HydrophobicContact CH2-CG 4.47Å; W673-L677 HydrophobicContact CZ2-CD1 3.63Å; W673-L677 HydrophobicContact CZ2-CD2 4.4Å; W673-L677 HydrophobicContact CZ2-CG 4.49Å; W673-L677 HydrophobicContact CZ3-CD1 3.03Å; W673-L677 HydrophobicContact CZ3-CG 4.44Å; W673-L677 WeakPolarHBondContact O-CB 3.49Å; W673-L677 WeakPolarHBondContact O-CD1 3.35Å; W673-L677 WeakPolarHBondContact O-CG 3.22Å; W673-L677 PolarHBondContact O-N 2.93Å; F674-L677 HydrophobicContact CD1-CD1 4.2Å; F674-L677 HydrophobicContact CE1-CD1 4.37Å; F674-L677 CarbonylContact O-C 3.6Å; F674-L677 WeakPolarHBondContact O-CA 3.14Å; F674-L677 WeakPolarHBondContact O-CB 3.32Å; F674-L677 PolarHBondContact O-N 3.24Å; R675-L677 PolarHBondContact O-N 3.31Å; L677-N679 VanDerWaalsContact C-N 3.32Å; L677-N679 PolarHBondContact O-N 3.29Å |
| 678 | T | 35.5 | Very low | 34.2 | Very low | 42 Ų | 42 | 74 Ų | 74 | 26% | 0.258 | 39% | 0.389 | S | S | . | . | trans | -74.3 | 86.5 | 171.6 | 65.4 | 0 | 0 | 0 | 0 | 107.3 | F674 R675 D680 | F674-T678 WeakPolarHBondContact O-CB 3.41Å; F674-T678 WeakPolarHBondContact O-CG2 3.48Å; F674-T678 PolarHBondContact O-N 2.7Å; F674-T678 PolarHBondContact O-OG1 3.1Å; R675-T678 VanDerWaalsContact O-O 3.11Å; T678-D680 PolarHBondContact O-N 2.64Å | ||
| 679 | N | 33.9 | Very low | 33.4 | Very low | 54 Ų | 54 | 80.8 Ų | 80.8 | 29% | 0.289 | 41% | 0.413 | S | S | . | . | trans | -63.2 | 68.8 | 163.3 | -86.1 | -36.2 | 0 | 0 | 0 | 108.7 | L677 T681 K683 | L677-N679 VanDerWaalsContact C-N 3.32Å; L677-N679 PolarHBondContact O-N 3.29Å; N679-T681 PolarHBondContact O-N 3.25Å; N679-K683 WeakPolarHBondContact OD1-CE 3.37Å; N679-K683 PolarHBondContact OD1-NZ 3.48Å | ||
| 680 | D | 33.1 | Very low | 32.8 | Very low | 121 Ų | 121 | 86 Ų | 86 | 65% | 0.647 | 45% | 0.449 | S | S | * | . | trans | -71.7 | 83.4 | -175.1 | -141.9 | -1.1 | 0 | 0 | 0 | 108.1 | T678 N682 | T678-D680 PolarHBondContact O-N 2.64Å; D680-N682 PolarHBondContact O-N 2.88Å | ||
| 681 | T | 31.6 | Very low | 32.3 | Very low | 125 Ų | 125 | 93.1 Ų | 93.1 | 77% | 0.767 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 37.3 | 4.7 | 155.6 | 53.7 | 0 | 0 | 0 | 0 | 121.2 | N679 | N679-T681 PolarHBondContact O-N 3.25Š|
| 682 | N | 28.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 97.9 Ų | 97.9 | 73% | 0.727 | 50% | 0.502 | S | S | * | . | trans | -130.7 | 35.9 | 178 | -79.4 | -37.8 | 0 | 0 | 0 | 111.7 | D680 V684 | D680-N682 PolarHBondContact O-N 2.88Å; N682-V684 PolarHBondContact O-N 3.18Å | ||
| 683 | K | 28.5 | Very low | 30.8 | Very low | 150 Ų | 150 | 103.3 Ų | 103.3 | 65% | 0.652 | 53% | 0.529 | S | S | * | . | trans | -63.2 | 93.5 | 154 | -84.1 | -176.7 | 173.6 | 171.2 | 0 | 107.1 | N679 K685 | N679-K683 WeakPolarHBondContact OD1-CE 3.37Å; N679-K683 PolarHBondContact OD1-NZ 3.48Å; K683-K685 PolarHBondContact O-N 3.3Å | ||
| 684 | V | 25.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 110.2 Ų | 110.2 | 79% | 0.788 | 56% | 0.56 | S | S | * | * | trans | -39.8 | 101.9 | 139.7 | 174.5 | 0 | 0 | 0 | 0 | 103.9 | N682 P686 | N682-V684 PolarHBondContact O-N 3.18Å; V684-P686 WeakPolarHBondContact O-CD 3.49Å | ||
| 685 | K | 23.8 | Very low | 29.7 | Very low | 171 Ų | 171 | 113.7 Ų | 113.7 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | trans | -39.8 | 120.2 | 172.3 | -75.8 | 179.5 | 174.7 | -178.2 | 0 | 104.7 | K683 I687 | K683-K685 PolarHBondContact O-N 3.3Å; K685-I687 PolarHBondContact O-N 3.37Å | ||
| 686 | P | 24 | Very low | 29.2 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 67% | 0.669 | 60% | 0.604 | S | S | * | * | trans | -56.8 | 110.7 | 158.1 | 25.1 | -26.7 | 0 | 0 | 0 | 101.9 | V684 N688 | V684-P686 WeakPolarHBondContact O-CD 3.49Å; P686-N688 PolarHBondContact O-N 3.48Å | ||
| 687 | I | 25.1 | Very low | 29 | Very low | 124 Ų | 124 | 127 Ų | 127 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | trans | -66.5 | 76.7 | 175.1 | -62.5 | 175.4 | 0 | 0 | 0 | 103.8 | K685 R689 | K685-I687 PolarHBondContact O-N 3.37Å; I687-R689 HydrophobicContact CG2-CB 4.03Å; I687-R689 HydrophobicContact CG2-CG 3.42Å; I687-R689 VanDerWaalsContact CG2-CG 3.42Å; I687-R689 PolarHBondContact O-N 3.24Å | ||
| 688 | N | 26 | Very low | 29.1 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | trans | -69.6 | 76.9 | 148.8 | -86.5 | -14.1 | 0 | 0 | 0 | 103.8 | P686 S690 | P686-N688 PolarHBondContact O-N 3.48Å; N688-S690 PolarHBondContact O-N 3.21Å | ||
| 689 | R | 27.5 | Very low | 29.5 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 62% | 0.623 | 67% | 0.671 | S | S | * | * | trans | -52.2 | 101.4 | 156.4 | -98 | 157 | -178.8 | -171.2 | -0.6 | 104.6 | I687 Y691 | I687-R689 HydrophobicContact CG2-CB 4.03Å; I687-R689 HydrophobicContact CG2-CG 3.42Å; I687-R689 VanDerWaalsContact CG2-CG 3.42Å; I687-R689 PolarHBondContact O-N 3.24Å; R689-Y691 HydrophobicContact CB-CD2 3.76Å; R689-Y691 HydrophobicContact CB-CE2 3.77Å; R689-Y691 HydrophobicContact CB-CG 4.48Å; R689-Y691 HydrophobicContact CG-CD2 4.5Å; R689-Y691 HydrophobicContact CG-CE2 4.08Å; R689-Y691 PolarHBondContact NH1-OH 3.17Å; R689-Y691 PolarHBondContact O-N 3.42Å | ||
| 690 | S | 25.8 | Very low | 30.4 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -54 | 81.7 | 145.3 | 51.1 | 0 | 0 | 0 | 0 | 106.6 | N688 D692 | N688-S690 PolarHBondContact O-N 3.21Å; S690-D692 PolarHBondContact O-N 3.02Å | ||
| 691 | Y | 30.1 | Very low | 31.6 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 66% | 0.655 | 67% | 0.671 | S | S | * | * | trans | -69.1 | 96.2 | 152.8 | -78.9 | -67.5 | 0 | 0 | 0 | 104.8 | R689 M693 | R689-Y691 HydrophobicContact CB-CD2 3.76Å; R689-Y691 HydrophobicContact CB-CE2 3.77Å; R689-Y691 HydrophobicContact CB-CG 4.48Å; R689-Y691 HydrophobicContact CG-CD2 4.5Å; R689-Y691 HydrophobicContact CG-CE2 4.08Å; R689-Y691 PolarHBondContact NH1-OH 3.17Å; R689-Y691 PolarHBondContact O-N 3.42Å; Y691-M693 PolarHBondContact O-N 3.43Å | ||
| 692 | D | 26.8 | Very low | 33.1 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | trans | -56.1 | 73 | 157.8 | -153.1 | 11.6 | 0 | 0 | 0 | 106.8 | S690 K694 | S690-D692 PolarHBondContact O-N 3.02Å; D692-K694 PolarHBondContact O-N 3.16Å; D692-K694 WeakPolarHBondContact OD1-CE 3.36Å; D692-K694 IonicContact OD1-NZ 3.93Å; D692-K694 PolarHBondContact OD1-NZ 3.36Å; D692-K694 VanDerWaalsContact OD1-NZ 3.17Å; D692-K694 IonicContact OD2-NZ 2.8Å; D692-K694 PolarHBondContact OD2-NZ 3.5Å | ||
| 693 | M | 27.3 | Very low | 34.9 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 67% | 0.665 | 65% | 0.645 | S | S | * | * | trans | -83.4 | 59.5 | 171.3 | -127.9 | -109.2 | 148.5 | 0 | 0 | 107 | Y691 S695 | Y691-M693 PolarHBondContact O-N 3.43Å; M693-S695 WeakPolarHBondContact CE-O 3.33Å; M693-S695 PolarHBondContact O-N 3.4Å | ||
| 694 | K | 28.6 | Very low | 36.9 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | trans | -63.2 | 125.3 | 154.1 | -73.9 | 171 | -176.5 | 138.2 | 0 | 105.8 | D692 | D692-K694 PolarHBondContact O-N 3.16Å; D692-K694 WeakPolarHBondContact OD1-CE 3.36Å; D692-K694 IonicContact OD1-NZ 3.93Å; D692-K694 PolarHBondContact OD1-NZ 3.36Å; D692-K694 VanDerWaalsContact OD1-NZ 3.17Å; D692-K694 IonicContact OD2-NZ 2.8Å; D692-K694 PolarHBondContact OD2-NZ 3.5Å | ||
| 695 | S | 29.4 | Very low | 39.3 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | S | Bend | trans | 89.8 | 126.2 | 175.6 | -168.1 | 0 | 0 | 0 | 0 | 116.1 | M693 | M693-S695 WeakPolarHBondContact CE-O 3.33Å; M693-S695 PolarHBondContact O-N 3.4Å |
| 696 | Y | 31.5 | Very low | 41.9 | Very low | 201 Ų | 201 | 119.3 Ų | 119.3 | 79% | 0.788 | 60% | 0.603 | S | S | * | * | trans | 95 | 50.2 | 173 | -57 | -77.7 | 0 | 0 | 0 | 119.2 | ||||
| 697 | R | 33.8 | Very low | 44.5 | Very low | 226 Ų | 226 | 115.8 Ų | 115.8 | 85% | 0.853 | 58% | 0.578 | S | S | * | * | trans | -137 | 29.9 | 161.7 | -87.5 | -160.1 | -170.3 | -151.2 | 5.2 | 115.1 | ||||
| 698 | S | 36.1 | Very low | 47.2 | Very low | 84 Ų | 84 | 115.4 Ų | 115.4 | 59% | 0.587 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -86 | -19.3 | 176.6 | 51.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 699 | D | 43.8 | Very low | 49.8 | Very low | 111 Ų | 111 | 112.8 Ų | 112.8 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -100.7 | -21.1 | -167.4 | -63.7 | 6.9 | 0 | 0 | 0 | 114 | S701 E702 V703 | D699-S701 PolarHBondContact O-N 3.3Å; D699-E702 PolarHBondContact O-N 2.83Å; D699-V703 WeakPolarHBondContact O-CG2 3.36Å; D699-V703 PolarHBondContact O-N 2.99Å |
| 700 | S | 51.6 | Low | 52.4 | Low | 72 Ų | 72 | 105.4 Ų | 105.4 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.8 | -30 | -172.1 | 71.2 | 0 | 0 | 0 | 0 | 113.7 | E704 | S700-E704 WeakPolarHBondContact O-CG 3.37Å; S700-E704 PolarHBondContact O-N 2.96Å; S700-E704 VanDerWaalsContact O-N 3.16Å |
| 701 | S | 58.5 | Low | 55.2 | Low | 62 Ų | 62 | 103 Ų | 103 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73 | -37.1 | 177.3 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | D699 L705 | D699-S701 PolarHBondContact O-N 3.3Å; S701-L705 WeakPolarHBondContact O-CB 3.24Å; S701-L705 WeakPolarHBondContact O-CD1 3.24Å; S701-L705 PolarHBondContact O-N 2.96Å |
| 702 | E | 62.9 | Low | 57.7 | Low | 137 Ų | 137 | 101.7 Ų | 101.7 | 64% | 0.64 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.4 | -40.3 | 177.6 | -70 | -173.1 | 171.1 | 0 | 0 | 111.4 | D699 L705 L706 | D699-E702 PolarHBondContact O-N 2.83Å; E702-L705 PolarHBondContact O-N 3.28Å; E702-L706 VanDerWaalsContact O-CB 3.24Å; E702-L706 WeakPolarHBondContact O-CB 3.39Å; E702-L706 PolarHBondContact O-N 3.34Å |
| 703 | V | 67.7 | Low | 60.4 | Low | 52 Ų | 52 | 99.4 Ų | 99.4 | 32% | 0.315 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | D699 L706 E707 L743 | D699-V703 WeakPolarHBondContact O-CG2 3.36Å; D699-V703 PolarHBondContact O-N 2.99Å; V703-L706 PolarHBondContact O-N 3.4Å; V703-E707 WeakPolarHBondContact O-CB 3.49Å; V703-E707 PolarHBondContact O-N 3.15Å; V703-L743 HydrophobicContact CG1-CD1 4.09Å; V703-L743 HydrophobicContact CG1-CD2 4.27Å; V703-L743 HydrophobicContact CG1-CG 4.2Å |
| 704 | E | 69.5 | Low | 63 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 47% | 0.467 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 175.4 | -77.3 | -177.6 | 177.9 | 0 | 0 | 112.7 | S700 E707 K708 | S700-E704 WeakPolarHBondContact O-CG 3.37Å; S700-E704 PolarHBondContact O-N 2.96Å; S700-E704 VanDerWaalsContact O-N 3.16Å; E704-E707 PolarHBondContact O-N 3.12Å; E704-K708 PolarHBondContact O-N 2.88Å |
| 705 | L | 76.5 | Confident | 65.4 | Low | 92 Ų | 92 | 88.3 Ų | 88.3 | 48% | 0.482 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 171 | -106.3 | 122.1 | 0 | 0 | 0 | 111 | S701 E702 E707 K708 D709 | S701-L705 WeakPolarHBondContact O-CB 3.24Å; S701-L705 WeakPolarHBondContact O-CD1 3.24Å; S701-L705 PolarHBondContact O-N 2.96Å; E702-L705 PolarHBondContact O-N 3.28Å; L705-E707 VanDerWaalsContact C-N 3.33Å; L705-E707 PolarHBondContact O-N 3.28Å; L705-K708 WeakPolarHBondContact O-CB 3.44Å; L705-K708 PolarHBondContact O-N 3.38Å; L705-D709 WeakPolarHBondContact O-CB 3.5Å; L705-D709 VanDerWaalsContact O-CG 3.3Å; L705-D709 PolarHBondContact O-N 3.41Å |
| 706 | L | 77.8 | Confident | 67.6 | Low | 66 Ų | 66 | 88.7 Ų | 88.7 | 35% | 0.346 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.6 | -170.2 | 68.8 | 0 | 0 | 0 | 111.6 | E702 V703 D709 I710 Y739 L743 | E702-L706 VanDerWaalsContact O-CB 3.24Å; E702-L706 WeakPolarHBondContact O-CB 3.39Å; E702-L706 PolarHBondContact O-N 3.34Å; V703-L706 PolarHBondContact O-N 3.4Å; L706-D709 PolarHBondContact O-N 3.5Å; L706-I710 HydrophobicContact CG-CD1 4.06Å; L706-I710 WeakPolarHBondContact O-CB 3.35Å; L706-I710 WeakPolarHBondContact O-CD1 3.26Å; L706-I710 WeakPolarHBondContact O-CG1 3.21Å; L706-I710 PolarHBondContact O-N 2.96Å; L706-Y739 HydrophobicContact CD2-CE1 3.78Å; L706-Y739 WeakPolarHBondContact CD2-OH 3.3Å; L706-Y739 HydrophobicContact CG-CE1 4.41Å; L706-L743 HydrophobicContact CD2-CD1 4.16Å |
| 707 | E | 78.2 | Confident | 69.5 | Low | 29 Ų | 29 | 80.4 Ų | 80.4 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 174.6 | -166.5 | 175.8 | 177.1 | 0 | 0 | 111.2 | V703 E704 L705 D709 I710 D711 L743 R747 | V703-E707 WeakPolarHBondContact O-CB 3.49Å; V703-E707 PolarHBondContact O-N 3.15Å; E704-E707 PolarHBondContact O-N 3.12Å; L705-E707 VanDerWaalsContact C-N 3.33Å; L705-E707 PolarHBondContact O-N 3.28Å; E707-D709 VanDerWaalsContact C-N 3.34Å; E707-D709 PolarHBondContact O-N 3.05Å; E707-I710 PolarHBondContact O-N 3.27Å; E707-D711 WeakPolarHBondContact O-CB 3.4Å; E707-D711 PolarHBondContact O-N 3.2Å; E707-L743 HydrophobicContact CB-CD2 3.78Å; E707-L743 HydrophobicContact CG-CD2 4.03Å; E707-R747 IonicContact OE2-NH1 3.8Å; E707-R747 PolarHBondContact OE2-NH1 3.47Å |
| 708 | K | 81.5 | Confident | 70.9 | Confident | 116 Ų | 116 | 76.6 Ų | 76.6 | 50% | 0.504 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 174.4 | -79.4 | 177.7 | -179.3 | 167.6 | 0 | 112.5 | E704 L705 D711 K712 | E704-K708 PolarHBondContact O-N 2.88Å; L705-K708 WeakPolarHBondContact O-CB 3.44Å; L705-K708 PolarHBondContact O-N 3.38Å; K708-D711 PolarHBondContact O-N 3.4Å; K708-K712 WeakPolarHBondContact O-CB 3.43Å; K708-K712 PolarHBondContact O-N 2.9Å |
| 709 | D | 81.5 | Confident | 72 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 179.3 | -74 | -21.4 | 0 | 0 | 0 | 111.3 | L705 L706 E707 D711 K712 F713 | L705-D709 WeakPolarHBondContact O-CB 3.5Å; L705-D709 VanDerWaalsContact O-CG 3.3Å; L705-D709 PolarHBondContact O-N 3.41Å; L706-D709 PolarHBondContact O-N 3.5Å; E707-D709 VanDerWaalsContact C-N 3.34Å; E707-D709 PolarHBondContact O-N 3.05Å; D709-D711 VanDerWaalsContact C-N 3.35Å; D709-K712 PolarHBondContact O-N 3.35Å; D709-F713 WeakPolarHBondContact O-CB 3.46Å; D709-F713 PolarHBondContact O-N 2.93Å |
| 710 | I | 82.2 | Confident | 72.7 | Confident | 9 Ų | 9 | 78.6 Ų | 78.6 | 5% | 0.046 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 172 | -68.9 | 159 | 0 | 0 | 0 | 110.5 | L706 E707 K712 F713 L714 M736 Y739 K740 | L706-I710 HydrophobicContact CG-CD1 4.06Å; L706-I710 WeakPolarHBondContact O-CB 3.35Å; L706-I710 WeakPolarHBondContact O-CD1 3.26Å; L706-I710 WeakPolarHBondContact O-CG1 3.21Å; L706-I710 PolarHBondContact O-N 2.96Å; E707-I710 PolarHBondContact O-N 3.27Å; I710-K712 VanDerWaalsContact C-N 3.34Å; I710-K712 PolarHBondContact O-N 3.24Å; I710-F713 WeakPolarHBondContact O-CB 3.44Å; I710-F713 PolarHBondContact O-N 2.76Å; I710-L714 HydrophobicContact CG2-CD1 3.83Å; I710-L714 HydrophobicContact CG2-CG 4.33Å; I710-L714 WeakPolarHBondContact O-CB 3.43Å; I710-L714 VanDerWaalsContact O-CG 3.3Å; I710-L714 WeakPolarHBondContact O-CG 3.18Å; I710-L714 PolarHBondContact O-N 3.47Å; I710-M736 HydrophobicContact CG2-CG 4.1Å; I710-Y739 HydrophobicContact CD1-CD1 3.49Å; I710-Y739 VanDerWaalsContact CD1-CD1 3.49Å; I710-Y739 HydrophobicContact CD1-CE1 3.71Å; I710-K740 HydrophobicContact CG2-CB 4.14Å; I710-K740 HydrophobicContact CG2-CD 4.34Å; I710-K740 HydrophobicContact CG2-CG 4.46Å |
| 711 | D | 83.2 | Confident | 72.8 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 34% | 0.342 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 177.7 | -80.6 | -16.8 | 0 | 0 | 0 | 112.6 | E707 K708 D709 L714 A715 K740 | E707-D711 WeakPolarHBondContact O-CB 3.4Å; E707-D711 PolarHBondContact O-N 3.2Å; K708-D711 PolarHBondContact O-N 3.4Å; D709-D711 VanDerWaalsContact C-N 3.35Å; D711-L714 PolarHBondContact O-N 3.4Å; D711-A715 VanDerWaalsContact O-CB 3.24Å; D711-A715 WeakPolarHBondContact O-CB 3.44Å; D711-A715 PolarHBondContact O-N 3Å; D711-K740 WeakPolarHBondContact OD1-CE 3.33Å; D711-K740 IonicContact OD1-NZ 3.84Å; D711-K740 PolarHBondContact OD1-NZ 2.83Å; D711-K740 IonicContact OD2-NZ 3.4Å; D711-K740 PolarHBondContact OD2-NZ 2.99Å |
| 712 | K | 83.5 | Confident | 72.5 | Confident | 138 Ų | 138 | 84.4 Ų | 84.4 | 60% | 0.6 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 174.4 | -164.5 | 176.5 | -175.7 | -179.6 | 0 | 111.4 | K708 D709 I710 A715 N716 | K708-K712 WeakPolarHBondContact O-CB 3.43Å; K708-K712 PolarHBondContact O-N 2.9Å; D709-K712 PolarHBondContact O-N 3.35Å; I710-K712 VanDerWaalsContact C-N 3.34Å; I710-K712 PolarHBondContact O-N 3.24Å; K712-A715 PolarHBondContact O-N 2.98Å; K712-N716 WeakPolarHBondContact O-CB 3.38Å; K712-N716 PolarHBondContact O-N 3.1Å; K712-N716 PolarHBondContact O-ND2 3.44Å |
| 713 | F | 82.2 | Confident | 72 | Confident | 67 Ų | 67 | 85 Ų | 85 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 174.4 | 179.4 | -92.1 | 0 | 0 | 0 | 111.6 | D709 I710 A715 N716 Q717 L732 M736 | D709-F713 WeakPolarHBondContact O-CB 3.46Å; D709-F713 PolarHBondContact O-N 2.93Å; I710-F713 WeakPolarHBondContact O-CB 3.44Å; I710-F713 PolarHBondContact O-N 2.76Å; F713-A715 PolarHBondContact O-N 2.98Å; F713-N716 PolarHBondContact O-N 2.9Å; F713-Q717 HydrophobicContact CE1-CG 4.3Å; F713-Q717 HydrophobicContact CZ-CG 4.32Å; F713-Q717 PolarHBondContact O-N 3.33Å; F713-L732 HydrophobicContact CE1-CG 4.38Å; F713-L732 HydrophobicContact CE2-CD2 4.32Å; F713-L732 HydrophobicContact CZ-CD2 3.65Å; F713-L732 HydrophobicContact CZ-CG 3.86Å; F713-M736 HydrophobicContact CD1-CB 4.27Å; F713-M736 HydrophobicContact CD1-CG 3.86Å; F713-M736 HydrophobicContact CE1-CB 4.25Å; F713-M736 HydrophobicContact CE1-CE 4.47Å; F713-M736 HydrophobicContact CE1-CG 4.21Å |
| 714 | L | 82.3 | Confident | 71.6 | Confident | 11 Ų | 11 | 90.6 Ų | 90.6 | 6% | 0.058 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 179.3 | -69.2 | 172.6 | 0 | 0 | 0 | 112.5 | I710 D711 K718 T733 M736 Y737 K740 | I710-L714 HydrophobicContact CG2-CD1 3.83Å; I710-L714 HydrophobicContact CG2-CG 4.33Å; I710-L714 WeakPolarHBondContact O-CB 3.43Å; I710-L714 VanDerWaalsContact O-CG 3.3Å; I710-L714 WeakPolarHBondContact O-CG 3.18Å; I710-L714 PolarHBondContact O-N 3.47Å; D711-L714 PolarHBondContact O-N 3.4Å; L714-K718 PolarHBondContact O-N 3.37Å; L714-T733 HydrophobicContact CD2-CG2 4.11Å; L714-M736 HydrophobicContact CD2-CB 4.22Å; L714-Y737 HydrophobicContact CD1-CD1 3.92Å; L714-Y737 HydrophobicContact CD1-CE1 3.72Å; L714-Y737 HydrophobicContact CD2-CD1 4.3Å; L714-Y737 HydrophobicContact CD2-CD2 4.12Å; L714-Y737 HydrophobicContact CD2-CE1 4.04Å; L714-Y737 HydrophobicContact CD2-CE2 3.86Å; L714-Y737 HydrophobicContact CD2-CG 4.33Å; L714-Y737 HydrophobicContact CG-CE1 4.44Å; L714-K740 HydrophobicContact CD1-CD 4.29Å |
| 715 | A | 79.8 | Confident | 71.1 | Confident | 50 Ų | 50 | 89.7 Ų | 89.7 | 41% | 0.413 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D711 K712 F713 K718 L719 | D711-A715 VanDerWaalsContact O-CB 3.24Å; D711-A715 WeakPolarHBondContact O-CB 3.44Å; D711-A715 PolarHBondContact O-N 3Å; K712-A715 PolarHBondContact O-N 2.98Å; F713-A715 PolarHBondContact O-N 2.98Å; A715-K718 PolarHBondContact O-N 3.15Å; A715-L719 PolarHBondContact O-N 3.38Å |
| 716 | N | 75.7 | Confident | 70.7 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 177.3 | -72.5 | -14.8 | 0 | 0 | 0 | 112.1 | K712 F713 K718 L719 I720 | K712-N716 WeakPolarHBondContact O-CB 3.38Å; K712-N716 PolarHBondContact O-N 3.1Å; K712-N716 PolarHBondContact O-ND2 3.44Å; F713-N716 PolarHBondContact O-N 2.9Å; N716-K718 VanDerWaalsContact C-N 3.34Å; N716-K718 PolarHBondContact O-N 3.29Å; N716-L719 WeakPolarHBondContact O-CB 3.31Å; N716-L719 PolarHBondContact O-N 3.43Å; N716-L719 VanDerWaalsContact O-N 3.12Å; N716-I720 WeakPolarHBondContact O-CG1 3.31Å; N716-I720 PolarHBondContact O-N 2.81Å |
| 717 | Q | 70.2 | Confident | 70.4 | Confident | 28 Ų | 28 | 91.8 Ų | 91.8 | 13% | 0.131 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 174 | -96.2 | -73.3 | -3.2 | 0 | 0 | 112.1 | F713 L719 I720 | F713-Q717 HydrophobicContact CE1-CG 4.3Å; F713-Q717 HydrophobicContact CZ-CG 4.32Å; F713-Q717 PolarHBondContact O-N 3.33Å; Q717-L719 PolarHBondContact O-N 3.35Å; Q717-I720 PolarHBondContact O-N 3.12Å; Q717-I720 VanDerWaalsContact O-N 3.07Å |
| 718 | K | 65 | Low | 70.3 | Confident | 146 Ų | 146 | 96.1 Ų | 96.1 | 64% | 0.635 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.3 | -22.1 | 172.6 | -78 | -176 | 176.9 | -178.7 | 0 | 114.1 | L714 A715 N716 | L714-K718 PolarHBondContact O-N 3.37Å; A715-K718 PolarHBondContact O-N 3.15Å; N716-K718 VanDerWaalsContact C-N 3.34Å; N716-K718 PolarHBondContact O-N 3.29Å |
| 719 | L | 59.3 | Low | 69.8 | Low | 143 Ų | 143 | 92.7 Ų | 92.7 | 75% | 0.749 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -85.5 | -14.7 | 175.7 | -82.8 | 155.1 | 0 | 0 | 0 | 113 | A715 N716 Q717 D721 | A715-L719 PolarHBondContact O-N 3.38Å; N716-L719 WeakPolarHBondContact O-CB 3.31Å; N716-L719 PolarHBondContact O-N 3.43Å; N716-L719 VanDerWaalsContact O-N 3.12Å; Q717-L719 PolarHBondContact O-N 3.35Å; L719-D721 VanDerWaalsContact C-N 3.28Å |
| 720 | I | 57.8 | Low | 69.5 | Low | 94 Ų | 94 | 92.6 Ų | 92.6 | 48% | 0.482 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -86 | -3.2 | 178.9 | -64.3 | 169.1 | 0 | 0 | 0 | 111.7 | N716 Q717 N722 | N716-I720 WeakPolarHBondContact O-CG1 3.31Å; N716-I720 PolarHBondContact O-N 2.81Å; Q717-I720 PolarHBondContact O-N 3.12Å; Q717-I720 VanDerWaalsContact O-N 3.07Å; I720-N722 VanDerWaalsContact C-N 3.27Å; I720-N722 PolarHBondContact O-N 2.84Å |
| 721 | D | 53.5 | Low | 69.5 | Low | 106 Ų | 106 | 98.9 Ų | 98.9 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 89.7 | 164.7 | -89.2 | -21.7 | 0 | 0 | 0 | 109.7 | L719 | L719-D721 VanDerWaalsContact C-N 3.28Š|
| 722 | N | 53 | Low | 69.3 | Low | 150 Ų | 150 | 99.5 Ų | 99.5 | 80% | 0.802 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -162.7 | -4.7 | 143.6 | -96.9 | -29.8 | 0 | 0 | 0 | 117.9 | I720 | I720-N722 VanDerWaalsContact C-N 3.27Å; I720-N722 PolarHBondContact O-N 2.84Å |
| 723 | N | 52.4 | Low | 69.2 | Low | 148 Ų | 148 | 94.2 Ų | 94.2 | 79% | 0.791 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -163.9 | -7.7 | 168.8 | -95.9 | -34.6 | 0 | 0 | 0 | 121.4 | ||
| 724 | H | 58.6 | Low | 69.3 | Low | 171 Ų | 171 | 95.8 Ų | 95.8 | 79% | 0.792 | 50% | 0.502 | S | S | * | . | trans | -153.5 | 76.5 | 176.7 | -73.4 | -59.9 | 0 | 0 | 0 | 112 | ||||
| 725 | T | 59 | Low | 69.4 | Low | 80 Ų | 80 | 98.4 Ų | 98.4 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | trans | -84.1 | 121.7 | 166.8 | 28.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 726 | T | 67.1 | Low | 69.6 | Low | 74 Ų | 74 | 98.2 Ų | 98.2 | 45% | 0.454 | 51% | 0.512 | S | S | . | . | trans | -88.8 | 155.6 | 174.3 | 64.3 | 0 | 0 | 0 | 0 | 110.7 | D728 D729 I730 | T726-D728 PolarHBondContact O-N 3.01Å; T726-D729 PolarHBondContact N-OD2 3Å; T726-D729 WeakPolarHBondContact O-CB 3.38Å; T726-D729 PolarHBondContact O-N 2.77Å; T726-D729 PolarHBondContact OG1-N 3.41Å; T726-D729 PolarHBondContact OG1-OD2 3.44Å; T726-I730 PolarHBondContact O-N 3.05Å | ||
| 727 | D | 73.4 | Confident | 70.1 | Confident | 128 Ų | 128 | 98.5 Ų | 98.5 | 68% | 0.684 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.1 | -28.5 | 178.1 | -153 | 31.6 | 0 | 0 | 0 | 111.7 | I730 K731 | D727-I730 PolarHBondContact O-N 3.04Å; D727-K731 PolarHBondContact O-N 2.95Å |
| 728 | D | 75.5 | Confident | 70.9 | Confident | 120 Ų | 120 | 102.6 Ų | 102.6 | 64% | 0.642 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.7 | -35.7 | 173.4 | -72.7 | -26.9 | 0 | 0 | 0 | 112.5 | T726 K731 L732 | T726-D728 PolarHBondContact O-N 3.01Å; D728-K731 PolarHBondContact O-N 3.35Å; D728-L732 WeakPolarHBondContact O-CB 3.47Å; D728-L732 PolarHBondContact O-N 3.22Å |
| 729 | D | 70.9 | Confident | 71.9 | Confident | 45 Ų | 45 | 101 Ų | 101 | 24% | 0.241 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 176.7 | -64.6 | -49.1 | 0 | 0 | 0 | 111.7 | T726 L732 T733 | T726-D729 PolarHBondContact N-OD2 3Å; T726-D729 WeakPolarHBondContact O-CB 3.38Å; T726-D729 PolarHBondContact O-N 2.77Å; T726-D729 PolarHBondContact OG1-N 3.41Å; T726-D729 PolarHBondContact OG1-OD2 3.44Å; D729-L732 PolarHBondContact O-N 3.29Å; D729-T733 WeakPolarHBondContact O-CB 3.45Å; D729-T733 PolarHBondContact O-N 2.78Å; D729-T733 PolarHBondContact O-OG1 3.44Å |
| 730 | I | 76 | Confident | 73.2 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 45% | 0.451 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 176.7 | -62.1 | 174.7 | 0 | 0 | 0 | 109.9 | T726 D727 L732 T733 L734 | T726-I730 PolarHBondContact O-N 3.05Å; D727-I730 PolarHBondContact O-N 3.04Å; I730-L732 PolarHBondContact O-N 3.22Å; I730-T733 PolarHBondContact O-N 3.19Å; I730-L734 HydrophobicContact CG2-CD1 4.07Å; I730-L734 WeakPolarHBondContact O-CG 3.31Å; I730-L734 PolarHBondContact O-N 2.86Å |
| 731 | K | 80.7 | Confident | 74.6 | Confident | 140 Ų | 140 | 96.5 Ų | 96.5 | 61% | 0.609 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 176.8 | -115.4 | 177.6 | -177 | 169.1 | 0 | 112.5 | D727 D728 S735 | D727-K731 PolarHBondContact O-N 2.95Å; D728-K731 PolarHBondContact O-N 3.35Å; K731-S735 WeakPolarHBondContact O-CB 3.38Å; K731-S735 PolarHBondContact O-N 3.29Å; K731-S735 PolarHBondContact O-OG 3.4Å |
| 732 | L | 80.4 | Confident | 76.2 | Confident | 78 Ų | 78 | 99.5 Ų | 99.5 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 177.6 | -176.7 | 61.8 | 0 | 0 | 0 | 111 | F713 D728 D729 I730 S735 M736 | F713-L732 HydrophobicContact CE1-CG 4.38Å; F713-L732 HydrophobicContact CE2-CD2 4.32Å; F713-L732 HydrophobicContact CZ-CD2 3.65Å; F713-L732 HydrophobicContact CZ-CG 3.86Å; D728-L732 WeakPolarHBondContact O-CB 3.47Å; D728-L732 PolarHBondContact O-N 3.22Å; D729-L732 PolarHBondContact O-N 3.29Å; I730-L732 PolarHBondContact O-N 3.22Å; L732-S735 PolarHBondContact O-N 3.35Å; L732-M736 HydrophobicContact CD1-CE 3.88Å; L732-M736 PolarHBondContact O-N 3.37Å |
| 733 | T | 80.3 | Confident | 77.7 | Confident | 26 Ų | 26 | 93.1 Ų | 93.1 | 16% | 0.16 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 178.2 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L714 D729 I730 M736 Y737 | L714-T733 HydrophobicContact CD2-CG2 4.11Å; D729-T733 WeakPolarHBondContact O-CB 3.45Å; D729-T733 PolarHBondContact O-N 2.78Å; D729-T733 PolarHBondContact O-OG1 3.44Å; I730-T733 PolarHBondContact O-N 3.19Å; T733-M736 PolarHBondContact O-N 3.03Å; T733-Y737 HydrophobicContact CG2-CD2 3.98Å; T733-Y737 HydrophobicContact CG2-CE2 3.63Å; T733-Y737 VanDerWaalsContact O-CD2 3.26Å; T733-Y737 WeakPolarHBondContact O-CD2 3.3Å; T733-Y737 PolarHBondContact O-N 3.27Å |
| 734 | L | 83.6 | Confident | 79.3 | Confident | 101 Ų | 101 | 89.5 Ų | 89.5 | 53% | 0.529 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 175 | -75.1 | 170.6 | 0 | 0 | 0 | 112.1 | I730 M736 Y737 E738 | I730-L734 HydrophobicContact CG2-CD1 4.07Å; I730-L734 WeakPolarHBondContact O-CG 3.31Å; I730-L734 PolarHBondContact O-N 2.86Å; L734-M736 PolarHBondContact O-N 3.47Å; L734-Y737 PolarHBondContact O-N 3.24Å; L734-E738 PolarHBondContact O-N 3.17Å |
| 735 | S | 84.9 | Confident | 80.7 | Confident | 65 Ų | 65 | 86.4 Ų | 86.4 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 176.8 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | K731 L732 E738 Y739 | K731-S735 WeakPolarHBondContact O-CB 3.38Å; K731-S735 PolarHBondContact O-N 3.29Å; K731-S735 PolarHBondContact O-OG 3.4Å; L732-S735 PolarHBondContact O-N 3.35Å; S735-E738 PolarHBondContact O-N 3.15Å; S735-Y739 PolarHBondContact O-N 2.96Å |
| 736 | M | 84.3 | Confident | 81.9 | Confident | 47 Ų | 47 | 85.5 Ų | 85.5 | 23% | 0.232 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.7 | -36.3 | 177.6 | -138.5 | 56.7 | 59.2 | 0 | 0 | 112.6 | I710 F713 L714 L732 T733 L734 Y739 K740 | I710-M736 HydrophobicContact CG2-CG 4.1Å; F713-M736 HydrophobicContact CD1-CB 4.27Å; F713-M736 HydrophobicContact CD1-CG 3.86Å; F713-M736 HydrophobicContact CE1-CB 4.25Å; F713-M736 HydrophobicContact CE1-CE 4.47Å; F713-M736 HydrophobicContact CE1-CG 4.21Å; L714-M736 HydrophobicContact CD2-CB 4.22Å; L732-M736 HydrophobicContact CD1-CE 3.88Å; L732-M736 PolarHBondContact O-N 3.37Å; T733-M736 PolarHBondContact O-N 3.03Å; L734-M736 PolarHBondContact O-N 3.47Å; M736-Y739 PolarHBondContact O-N 3.31Å; M736-K740 PolarHBondContact O-N 2.92Å |
| 737 | Y | 86 | Confident | 82.6 | Confident | 91 Ų | 91 | 86.5 Ų | 86.5 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 170 | -79.8 | -62.1 | 0 | 0 | 0 | 112.2 | L714 T733 L734 Y739 K740 I741 | L714-Y737 HydrophobicContact CD1-CD1 3.92Å; L714-Y737 HydrophobicContact CD1-CE1 3.72Å; L714-Y737 HydrophobicContact CD2-CD1 4.3Å; L714-Y737 HydrophobicContact CD2-CD2 4.12Å; L714-Y737 HydrophobicContact CD2-CE1 4.04Å; L714-Y737 HydrophobicContact CD2-CE2 3.86Å; L714-Y737 HydrophobicContact CD2-CG 4.33Å; L714-Y737 HydrophobicContact CG-CE1 4.44Å; T733-Y737 HydrophobicContact CG2-CD2 3.98Å; T733-Y737 HydrophobicContact CG2-CE2 3.63Å; T733-Y737 VanDerWaalsContact O-CD2 3.26Å; T733-Y737 WeakPolarHBondContact O-CD2 3.3Å; T733-Y737 PolarHBondContact O-N 3.27Å; L734-Y737 PolarHBondContact O-N 3.24Å; Y737-Y739 VanDerWaalsContact C-N 3.32Å; Y737-Y739 PolarHBondContact O-N 3.36Å; Y737-K740 PolarHBondContact O-N 3.38Å; Y737-I741 WeakPolarHBondContact O-CG1 3.34Å; Y737-I741 PolarHBondContact O-N 3.16Å |
| 738 | E | 87.8 | Confident | 83.2 | Confident | 114 Ų | 114 | 85.7 Ų | 85.7 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 174.6 | -75.3 | -170.6 | 173.1 | 0 | 0 | 111.9 | L734 S735 I741 R742 | L734-E738 PolarHBondContact O-N 3.17Å; S735-E738 PolarHBondContact O-N 3.15Å; E738-I741 PolarHBondContact O-N 2.97Å; E738-R742 WeakPolarHBondContact O-CG 3.31Å; E738-R742 PolarHBondContact O-N 3.2Å |
| 739 | Y | 85.6 | Confident | 83.7 | Confident | 113 Ų | 113 | 87.2 Ų | 87.2 | 44% | 0.443 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63 | -44 | 176.3 | -169.4 | -90.6 | 0 | 0 | 0 | 111.3 | L706 I710 S735 M736 Y737 I741 R742 L743 | L706-Y739 HydrophobicContact CD2-CE1 3.78Å; L706-Y739 WeakPolarHBondContact CD2-OH 3.3Å; L706-Y739 HydrophobicContact CG-CE1 4.41Å; I710-Y739 HydrophobicContact CD1-CD1 3.49Å; I710-Y739 VanDerWaalsContact CD1-CD1 3.49Å; I710-Y739 HydrophobicContact CD1-CE1 3.71Å; S735-Y739 PolarHBondContact O-N 2.96Å; M736-Y739 PolarHBondContact O-N 3.31Å; Y737-Y739 VanDerWaalsContact C-N 3.32Å; Y737-Y739 PolarHBondContact O-N 3.36Å; Y739-I741 VanDerWaalsContact C-N 3.33Å; Y739-I741 PolarHBondContact O-N 3.15Å; Y739-R742 PolarHBondContact O-N 3.19Å; Y739-L743 HydrophobicContact CE1-CD1 4.2Å; Y739-L743 WeakPolarHBondContact O-CB 3.3Å; Y739-L743 PolarHBondContact O-N 3.49Å |
| 740 | K | 87.2 | Confident | 84.2 | Confident | 46 Ų | 46 | 89.1 Ų | 89.1 | 20% | 0.2 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 174.9 | -170.2 | 174.4 | -178.5 | 178.2 | 0 | 112 | I710 D711 L714 M736 Y737 R742 L743 L744 | I710-K740 HydrophobicContact CG2-CB 4.14Å; I710-K740 HydrophobicContact CG2-CD 4.34Å; I710-K740 HydrophobicContact CG2-CG 4.46Å; D711-K740 WeakPolarHBondContact OD1-CE 3.33Å; D711-K740 IonicContact OD1-NZ 3.84Å; D711-K740 PolarHBondContact OD1-NZ 2.83Å; D711-K740 IonicContact OD2-NZ 3.4Å; D711-K740 PolarHBondContact OD2-NZ 2.99Å; L714-K740 HydrophobicContact CD1-CD 4.29Å; M736-K740 PolarHBondContact O-N 2.92Å; Y737-K740 PolarHBondContact O-N 3.38Å; K740-R742 PolarHBondContact O-N 3.47Å; K740-L743 WeakPolarHBondContact O-CB 3.32Å; K740-L743 PolarHBondContact O-N 2.79Å; K740-L744 HydrophobicContact CG-CD1 4.15Å; K740-L744 HydrophobicContact CG-CG 4.46Å; K740-L744 WeakPolarHBondContact O-CG 3.33Å; K740-L744 PolarHBondContact O-N 2.86Å |
| 741 | I | 87 | Confident | 84.4 | Confident | 95 Ų | 95 | 90.2 Ų | 90.2 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 177 | -69.8 | 166 | 0 | 0 | 0 | 110.8 | Y737 E738 Y739 L743 L744 Q745 | Y737-I741 WeakPolarHBondContact O-CG1 3.34Å; Y737-I741 PolarHBondContact O-N 3.16Å; E738-I741 PolarHBondContact O-N 2.97Å; Y739-I741 VanDerWaalsContact C-N 3.33Å; Y739-I741 PolarHBondContact O-N 3.15Å; I741-L743 VanDerWaalsContact C-N 3.34Å; I741-L743 PolarHBondContact O-N 3.36Å; I741-L744 PolarHBondContact O-N 2.89Å; I741-Q745 WeakPolarHBondContact O-CG 3.37Å; I741-Q745 PolarHBondContact O-N 2.76Å |
| 742 | R | 87.6 | Confident | 84.6 | Confident | 169 Ų | 169 | 88.3 Ų | 88.3 | 64% | 0.638 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.3 | -38.3 | 177.4 | -68.8 | -177.4 | -167.8 | 170.3 | 9 | 112.3 | E738 Y739 K740 Q745 S746 | E738-R742 WeakPolarHBondContact O-CG 3.31Å; E738-R742 PolarHBondContact O-N 3.2Å; Y739-R742 PolarHBondContact O-N 3.19Å; K740-R742 PolarHBondContact O-N 3.47Å; R742-Q745 PolarHBondContact O-N 3.34Å; R742-S746 PolarHBondContact O-N 3.34Å; R742-S746 VanDerWaalsContact O-N 3.1Å |
| 743 | L | 84.7 | Confident | 84.9 | Confident | 16 Ų | 16 | 91.3 Ų | 91.3 | 8% | 0.084 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.9 | -50.8 | 175.6 | -163.2 | 88.6 | 0 | 0 | 0 | 110.5 | V703 L706 E707 Y739 K740 I741 Q745 S746 R747 | V703-L743 HydrophobicContact CG1-CD1 4.09Å; V703-L743 HydrophobicContact CG1-CD2 4.27Å; V703-L743 HydrophobicContact CG1-CG 4.2Å; L706-L743 HydrophobicContact CD2-CD1 4.16Å; E707-L743 HydrophobicContact CB-CD2 3.78Å; E707-L743 HydrophobicContact CG-CD2 4.03Å; Y739-L743 HydrophobicContact CE1-CD1 4.2Å; Y739-L743 WeakPolarHBondContact O-CB 3.3Å; Y739-L743 PolarHBondContact O-N 3.49Å; K740-L743 WeakPolarHBondContact O-CB 3.32Å; K740-L743 PolarHBondContact O-N 2.79Å; I741-L743 VanDerWaalsContact C-N 3.34Å; I741-L743 PolarHBondContact O-N 3.36Å; L743-Q745 PolarHBondContact O-N 2.88Å; L743-S746 PolarHBondContact O-N 3.41Å; L743-S746 VanDerWaalsContact O-N 3.14Å; L743-S746 PolarHBondContact O-OG 2.98Å; L743-R747 PolarHBondContact O-N 3.19Å; L743-R747 VanDerWaalsContact O-N 3.11Å |
| 744 | L | 85.1 | Confident | 84.9 | Confident | 72 Ų | 72 | 94 Ų | 94 | 38% | 0.377 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 179.4 | -69.9 | 172.8 | 0 | 0 | 0 | 112.2 | K740 I741 S746 R747 E748 | K740-L744 HydrophobicContact CG-CD1 4.15Å; K740-L744 HydrophobicContact CG-CG 4.46Å; K740-L744 WeakPolarHBondContact O-CG 3.33Å; K740-L744 PolarHBondContact O-N 2.86Å; I741-L744 PolarHBondContact O-N 2.89Å; L744-S746 VanDerWaalsContact C-N 3.3Å; L744-S746 PolarHBondContact O-N 3.37Å; L744-R747 PolarHBondContact O-N 2.88Å; L744-E748 PolarHBondContact O-N 3.28Å |
| 745 | Q | 87.9 | Confident | 84.9 | Confident | 106 Ų | 106 | 92 Ų | 92 | 50% | 0.495 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -33.4 | 175 | -74.9 | 176.6 | -14.5 | 0 | 0 | 113.1 | I741 R742 L743 K749 | I741-Q745 WeakPolarHBondContact O-CG 3.37Å; I741-Q745 PolarHBondContact O-N 2.76Å; R742-Q745 PolarHBondContact O-N 3.34Å; L743-Q745 PolarHBondContact O-N 2.88Å; Q745-K749 WeakPolarHBondContact O-CG 3.1Å; Q745-K749 PolarHBondContact O-N 3.43Å |
| 746 | S | 85 | Confident | 84.9 | Confident | 61 Ų | 61 | 97.2 Ų | 97.2 | 43% | 0.427 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 176.5 | 80.8 | 0 | 0 | 0 | 0 | 111.6 | R742 L743 L744 K749 V750 | R742-S746 PolarHBondContact O-N 3.34Å; R742-S746 VanDerWaalsContact O-N 3.1Å; L743-S746 PolarHBondContact O-N 3.41Å; L743-S746 VanDerWaalsContact O-N 3.14Å; L743-S746 PolarHBondContact O-OG 2.98Å; L744-S746 VanDerWaalsContact C-N 3.3Å; L744-S746 PolarHBondContact O-N 3.37Å; S746-K749 PolarHBondContact O-N 3.43Å; S746-V750 WeakPolarHBondContact O-CG2 3.49Å; S746-V750 PolarHBondContact O-N 3.42Å |
| 747 | R | 81.8 | Confident | 85 | Confident | 96 Ų | 96 | 99 Ų | 99 | 36% | 0.362 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 175.3 | -176.9 | 176.9 | 164.9 | 164.9 | 2 | 112.1 | E707 L743 L744 K749 V750 Q751 | E707-R747 IonicContact OE2-NH1 3.8Å; E707-R747 PolarHBondContact OE2-NH1 3.47Å; L743-R747 PolarHBondContact O-N 3.19Å; L743-R747 VanDerWaalsContact O-N 3.11Å; L744-R747 PolarHBondContact O-N 2.88Å; R747-K749 PolarHBondContact O-N 2.95Å; R747-V750 PolarHBondContact O-N 3.37Å; R747-Q751 WeakPolarHBondContact O-CG 3.5Å; R747-Q751 PolarHBondContact O-N 2.92Å |
| 748 | E | 84.6 | Confident | 84.8 | Confident | 111 Ų | 111 | 100 Ų | 100 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 174.3 | -175.5 | 177.9 | -158.1 | 0 | 0 | 111.1 | L744 V750 Q751 E752 | L744-E748 PolarHBondContact O-N 3.28Å; E748-V750 VanDerWaalsContact C-N 3.33Å; E748-V750 PolarHBondContact O-N 3.27Å; E748-Q751 PolarHBondContact O-N 2.99Å; E748-E752 WeakPolarHBondContact O-CG 3.47Å; E748-E752 PolarHBondContact O-N 3.13Å |
| 749 | K | 86.1 | Confident | 84.7 | Confident | 151 Ų | 151 | 97.4 Ų | 97.4 | 66% | 0.657 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.3 | -38.6 | 176.7 | -73.8 | 178.5 | -179.6 | 177.9 | 0 | 113.5 | Q745 S746 R747 K753 | Q745-K749 WeakPolarHBondContact O-CG 3.1Å; Q745-K749 PolarHBondContact O-N 3.43Å; S746-K749 PolarHBondContact O-N 3.43Å; R747-K749 PolarHBondContact O-N 2.95Å; K749-K753 PolarHBondContact O-N 2.88Å; K749-K753 VanDerWaalsContact O-N 3.07Å |
| 750 | V | 82.5 | Confident | 84.7 | Confident | 86 Ų | 86 | 98.3 Ų | 98.3 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | S746 R747 E748 K753 N754 | S746-V750 WeakPolarHBondContact O-CG2 3.49Å; S746-V750 PolarHBondContact O-N 3.42Å; R747-V750 PolarHBondContact O-N 3.37Å; E748-V750 VanDerWaalsContact C-N 3.33Å; E748-V750 PolarHBondContact O-N 3.27Å; V750-K753 PolarHBondContact O-N 3.03Å; V750-N754 PolarHBondContact O-N 3.44Å |
| 751 | Q | 79.9 | Confident | 84.4 | Confident | 111 Ų | 111 | 98.8 Ų | 98.8 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 175.3 | -76.3 | -174.5 | -19 | 0 | 0 | 112 | R747 E748 K753 N754 A755 | R747-Q751 WeakPolarHBondContact O-CG 3.5Å; R747-Q751 PolarHBondContact O-N 2.92Å; E748-Q751 PolarHBondContact O-N 2.99Å; Q751-K753 VanDerWaalsContact C-N 3.34Å; Q751-K753 PolarHBondContact O-N 3.05Å; Q751-N754 PolarHBondContact O-N 3.15Å; Q751-A755 WeakPolarHBondContact O-CB 3.44Å; Q751-A755 PolarHBondContact O-N 2.95Å |
| 752 | E | 84.8 | Confident | 84.1 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 173.3 | -75.9 | -171.4 | 156.5 | 0 | 0 | 112 | E748 A755 R756 | E748-E752 WeakPolarHBondContact O-CG 3.47Å; E748-E752 PolarHBondContact O-N 3.13Å; E752-A755 PolarHBondContact O-N 3Å; E752-R756 WeakPolarHBondContact O-CG 3.39Å; E752-R756 PolarHBondContact O-N 3.01Å |
| 753 | K | 86.9 | Confident | 84 | Confident | 141 Ų | 141 | 93.4 Ų | 93.4 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.8 | -44.5 | 176 | -172.7 | -179.5 | 178.3 | -176.2 | 0 | 111.5 | K749 V750 Q751 R756 I757 | K749-K753 PolarHBondContact O-N 2.88Å; K749-K753 VanDerWaalsContact O-N 3.07Å; V750-K753 PolarHBondContact O-N 3.03Å; Q751-K753 VanDerWaalsContact C-N 3.34Å; Q751-K753 PolarHBondContact O-N 3.05Å; K753-R756 PolarHBondContact O-N 3.33Å; K753-I757 HydrophobicContact CG-CD1 4.27Å; K753-I757 WeakPolarHBondContact O-CG1 3.44Å; K753-I757 PolarHBondContact O-N 3.13Å |
| 754 | N | 80.4 | Confident | 83.9 | Confident | 84 Ų | 84 | 96.1 Ų | 96.1 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 177 | -72.4 | -15.2 | 0 | 0 | 0 | 111.9 | V750 Q751 I757 N758 | V750-N754 PolarHBondContact O-N 3.44Å; Q751-N754 PolarHBondContact O-N 3.15Å; N754-I757 PolarHBondContact O-N 3.39Å; N754-N758 WeakPolarHBondContact O-CB 3.42Å; N754-N758 PolarHBondContact O-N 3.15Å |
| 755 | A | 82.3 | Confident | 83.6 | Confident | 59 Ų | 59 | 95.2 Ų | 95.2 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q751 E752 N758 A759 | Q751-A755 WeakPolarHBondContact O-CB 3.44Å; Q751-A755 PolarHBondContact O-N 2.95Å; E752-A755 PolarHBondContact O-N 3Å; A755-N758 PolarHBondContact O-N 3Å; A755-A759 WeakPolarHBondContact O-CB 3.4Å; A755-A759 PolarHBondContact O-N 2.69Å |
| 756 | R | 86.3 | Confident | 83.3 | Confident | 173 Ų | 173 | 96.1 Ų | 96.1 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 174.1 | -71.7 | 179.3 | -171.8 | -177.5 | 5 | 112.4 | E752 K753 N758 A759 E760 | E752-R756 WeakPolarHBondContact O-CG 3.39Å; E752-R756 PolarHBondContact O-N 3.01Å; K753-R756 PolarHBondContact O-N 3.33Å; R756-N758 VanDerWaalsContact C-N 3.35Å; R756-N758 PolarHBondContact O-N 2.95Å; R756-A759 PolarHBondContact O-N 3.38Å; R756-E760 WeakPolarHBondContact O-CG 3.15Å; R756-E760 PolarHBondContact O-N 3.03Å |
| 757 | I | 84.5 | Confident | 83.3 | Confident | 84 Ų | 84 | 99.8 Ų | 99.8 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 177.1 | -66.6 | 167 | 0 | 0 | 0 | 110.9 | K753 N754 A759 E760 A761 | K753-I757 HydrophobicContact CG-CD1 4.27Å; K753-I757 WeakPolarHBondContact O-CG1 3.44Å; K753-I757 PolarHBondContact O-N 3.13Å; N754-I757 PolarHBondContact O-N 3.39Å; I757-A759 VanDerWaalsContact C-N 3.33Å; I757-A759 PolarHBondContact O-N 3Å; I757-E760 PolarHBondContact O-N 2.94Å; I757-A761 WeakPolarHBondContact O-CB 3.28Å; I757-A761 PolarHBondContact O-N 3.21Å |
| 758 | N | 82.7 | Confident | 83.2 | Confident | 113 Ų | 113 | 99.9 Ų | 99.9 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -37.3 | 176.1 | -76.3 | -10.9 | 0 | 0 | 0 | 112.2 | N754 A755 R756 A761 A762 | N754-N758 WeakPolarHBondContact O-CB 3.42Å; N754-N758 PolarHBondContact O-N 3.15Å; A755-N758 PolarHBondContact O-N 3Å; R756-N758 VanDerWaalsContact C-N 3.35Å; R756-N758 PolarHBondContact O-N 2.95Å; N758-A761 PolarHBondContact O-N 2.91Å; N758-A762 WeakPolarHBondContact O-CB 3.27Å; N758-A762 PolarHBondContact O-N 3.45Å |
| 759 | A | 85.6 | Confident | 82.8 | Confident | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A755 R756 I757 A762 L763 | A755-A759 WeakPolarHBondContact O-CB 3.4Å; A755-A759 PolarHBondContact O-N 2.69Å; R756-A759 PolarHBondContact O-N 3.38Å; I757-A759 VanDerWaalsContact C-N 3.33Å; I757-A759 PolarHBondContact O-N 3Å; A759-A762 PolarHBondContact O-N 3.46Å; A759-L763 WeakPolarHBondContact O-CB 3.39Å; A759-L763 PolarHBondContact O-N 3.27Å |
| 760 | E | 86 | Confident | 82.7 | Confident | 133 Ų | 133 | 94.4 Ų | 94.4 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -39 | 174.7 | -72.9 | 175.7 | -177.2 | 0 | 0 | 112.4 | R756 I757 L763 S764 | R756-E760 WeakPolarHBondContact O-CG 3.15Å; R756-E760 PolarHBondContact O-N 3.03Å; I757-E760 PolarHBondContact O-N 2.94Å; E760-L763 PolarHBondContact O-N 3.45Å; E760-S764 WeakPolarHBondContact O-CB 3.34Å; E760-S764 PolarHBondContact O-N 3.2Å; E760-S764 PolarHBondContact O-OG 3.16Å |
| 761 | A | 80 | Confident | 82.8 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I757 N758 L763 S764 A765 | I757-A761 WeakPolarHBondContact O-CB 3.28Å; I757-A761 PolarHBondContact O-N 3.21Å; N758-A761 PolarHBondContact O-N 2.91Å; A761-L763 VanDerWaalsContact C-N 3.35Å; A761-S764 PolarHBondContact O-N 3.45Å; A761-A765 WeakPolarHBondContact O-CB 3.46Å; A761-A765 PolarHBondContact O-N 3.47Å |
| 762 | A | 82.1 | Confident | 82.8 | Confident | 47 Ų | 47 | 97.3 Ų | 97.3 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N758 A759 S764 A765 H766 | N758-A762 WeakPolarHBondContact O-CB 3.27Å; N758-A762 PolarHBondContact O-N 3.45Å; A759-A762 PolarHBondContact O-N 3.46Å; A762-S764 VanDerWaalsContact C-N 3.33Å; A762-S764 PolarHBondContact O-N 3.17Å; A762-A765 PolarHBondContact O-N 2.88Å; A762-H766 PolarHBondContact O-CD2 2.58Å; A762-H766 VanDerWaalsContact O-CD2 3.26Å; A762-H766 PolarHBondContact O-N 3.41Å |
| 763 | L | 85.2 | Confident | 82.7 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 177.2 | -153 | 146.2 | 0 | 0 | 0 | 111.7 | A759 E760 A761 K767 | A759-L763 WeakPolarHBondContact O-CB 3.39Å; A759-L763 PolarHBondContact O-N 3.27Å; E760-L763 PolarHBondContact O-N 3.45Å; A761-L763 VanDerWaalsContact C-N 3.35Å; L763-K767 HydrophobicContact CD2-CD 4.42Å; L763-K767 WeakPolarHBondContact O-CG 3.27Å; L763-K767 PolarHBondContact O-N 3.2Å; L763-K767 VanDerWaalsContact O-N 3.12Å |
| 764 | S | 82.9 | Confident | 82.5 | Confident | 74 Ų | 74 | 98 Ų | 98 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -38 | 172.7 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | E760 A761 A762 K767 L768 | E760-S764 WeakPolarHBondContact O-CB 3.34Å; E760-S764 PolarHBondContact O-N 3.2Å; E760-S764 PolarHBondContact O-OG 3.16Å; A761-S764 PolarHBondContact O-N 3.45Å; A762-S764 VanDerWaalsContact C-N 3.33Å; A762-S764 PolarHBondContact O-N 3.17Å; S764-K767 PolarHBondContact O-N 3.36Å; S764-L768 PolarHBondContact O-N 3.22Å; S764-L768 VanDerWaalsContact O-N 3.12Å |
| 765 | A | 77.1 | Confident | 82.6 | Confident | 52 Ų | 52 | 101.4 Ų | 101.4 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A761 A762 K767 L768 C769 | A761-A765 WeakPolarHBondContact O-CB 3.46Å; A761-A765 PolarHBondContact O-N 3.47Å; A762-A765 PolarHBondContact O-N 2.88Å; A765-K767 PolarHBondContact O-N 3.32Å; A765-L768 WeakPolarHBondContact O-CB 3.46Å; A765-L768 PolarHBondContact O-N 3.36Å; A765-L768 VanDerWaalsContact O-N 3.15Å; A765-C769 PolarHBondContact O-N 3.09Å; A765-C769 PolarHBondContact O-SG 3.39Å; A765-C769 VanDerWaalsContact O-SG 3.37Å |
| 766 | H | 82.9 | Confident | 82.4 | Confident | 125 Ų | 125 | 103.4 Ų | 103.4 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59 | -45.6 | 173.8 | -86 | -65.5 | 0 | 0 | 0 | 112.3 | A762 L768 C769 D770 | A762-H766 PolarHBondContact O-CD2 2.58Å; A762-H766 VanDerWaalsContact O-CD2 3.26Å; A762-H766 PolarHBondContact O-N 3.41Å; H766-L768 VanDerWaalsContact C-N 3.27Å; H766-L768 PolarHBondContact O-N 2.74Å; H766-C769 WeakPolarHBondContact O-CB 3.31Å; H766-C769 PolarHBondContact O-N 3.38Å; H766-C769 VanDerWaalsContact O-N 3.16Å; H766-D770 VanDerWaalsContact O-CG 3.29Å; H766-D770 PolarHBondContact O-N 3.37Å |
| 767 | K | 84.5 | Confident | 82.1 | Confident | 139 Ų | 139 | 100.7 Ų | 100.7 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.8 | -37.2 | 174.3 | -74.4 | 177.5 | 177.5 | 178.6 | 0 | 113 | L763 S764 A765 D770 Y771 | L763-K767 HydrophobicContact CD2-CD 4.42Å; L763-K767 WeakPolarHBondContact O-CG 3.27Å; L763-K767 PolarHBondContact O-N 3.2Å; L763-K767 VanDerWaalsContact O-N 3.12Å; S764-K767 PolarHBondContact O-N 3.36Å; A765-K767 PolarHBondContact O-N 3.32Å; K767-D770 PolarHBondContact O-N 3.46Å; K767-Y771 PolarHBondContact O-N 3.02Å |
| 768 | L | 79.2 | Confident | 82 | Confident | 98 Ų | 98 | 101.3 Ų | 101.3 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 176.6 | -160.2 | 88 | 0 | 0 | 0 | 111.4 | S764 A765 H766 D770 Y771 Y772 | S764-L768 PolarHBondContact O-N 3.22Å; S764-L768 VanDerWaalsContact O-N 3.12Å; A765-L768 WeakPolarHBondContact O-CB 3.46Å; A765-L768 PolarHBondContact O-N 3.36Å; A765-L768 VanDerWaalsContact O-N 3.15Å; H766-L768 VanDerWaalsContact C-N 3.27Å; H766-L768 PolarHBondContact O-N 2.74Å; L768-D770 VanDerWaalsContact C-N 3.32Å; L768-D770 PolarHBondContact O-N 3.48Å; L768-Y771 PolarHBondContact O-N 2.69Å; L768-Y772 HydrophobicContact CD1-CE2 4.43Å; L768-Y772 HydrophobicContact CD2-CD2 4.35Å; L768-Y772 HydrophobicContact CD2-CE2 3.78Å; L768-Y772 HydrophobicContact CG-CD2 4.06Å; L768-Y772 HydrophobicContact CG-CE2 3.74Å; L768-Y772 WeakPolarHBondContact O-CD2 3.39Å; L768-Y772 PolarHBondContact O-N 3.44Å |
| 769 | C | 77.5 | Confident | 81.7 | Confident | 70 Ų | 70 | 99.2 Ų | 99.2 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 173.6 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | A765 H766 Y772 R773 | A765-C769 PolarHBondContact O-N 3.09Å; A765-C769 PolarHBondContact O-SG 3.39Å; A765-C769 VanDerWaalsContact O-SG 3.37Å; H766-C769 WeakPolarHBondContact O-CB 3.31Å; H766-C769 PolarHBondContact O-N 3.38Å; H766-C769 VanDerWaalsContact O-N 3.16Å; C769-Y772 PolarHBondContact O-N 3.08Å; C769-R773 WeakPolarHBondContact O-CB 3.36Å; C769-R773 PolarHBondContact O-N 3.19Å |
| 770 | D | 82.3 | Confident | 81.2 | Confident | 77 Ų | 77 | 100.3 Ų | 100.3 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 176.6 | -65.9 | -24 | 0 | 0 | 0 | 111.3 | H766 K767 L768 Y772 R773 E774 | H766-D770 VanDerWaalsContact O-CG 3.29Å; H766-D770 PolarHBondContact O-N 3.37Å; K767-D770 PolarHBondContact O-N 3.46Å; L768-D770 VanDerWaalsContact C-N 3.32Å; L768-D770 PolarHBondContact O-N 3.48Å; D770-Y772 PolarHBondContact O-N 2.97Å; D770-R773 PolarHBondContact O-N 3.24Å; D770-R773 IonicContact OD1-CZ 2.87Å; D770-R773 IonicContact OD1-NH1 3.73Å; D770-R773 PolarHBondContact OD1-NH1 2.91Å; D770-R773 IonicContact OD1-NH2 2.7Å; D770-E774 PolarHBondContact O-N 3.12Å |
| 771 | Y | 85.6 | Confident | 81.1 | Confident | 125 Ų | 125 | 101.5 Ų | 101.5 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 173 | 172.9 | -99.8 | 0 | 0 | 0 | 112.9 | K767 L768 R773 R775 | K767-Y771 PolarHBondContact O-N 3.02Å; L768-Y771 PolarHBondContact O-N 2.69Å; Y771-R773 VanDerWaalsContact C-N 3.35Å; Y771-R775 WeakPolarHBondContact O-CB 3.24Å; Y771-R775 PolarHBondContact O-N 3.19Å |
| 772 | Y | 79.9 | Confident | 81.1 | Confident | 133 Ų | 133 | 104.9 Ų | 104.9 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.4 | -31.1 | 176.3 | -76.7 | -63 | 0 | 0 | 0 | 112.7 | L768 C769 D770 L776 | L768-Y772 HydrophobicContact CD1-CE2 4.43Å; L768-Y772 HydrophobicContact CD2-CD2 4.35Å; L768-Y772 HydrophobicContact CD2-CE2 3.78Å; L768-Y772 HydrophobicContact CG-CD2 4.06Å; L768-Y772 HydrophobicContact CG-CE2 3.74Å; L768-Y772 WeakPolarHBondContact O-CD2 3.39Å; L768-Y772 PolarHBondContact O-N 3.44Å; C769-Y772 PolarHBondContact O-N 3.08Å; D770-Y772 PolarHBondContact O-N 2.97Å; Y772-L776 WeakPolarHBondContact O-CB 3.49Å; Y772-L776 PolarHBondContact O-N 3.38Å |
| 773 | R | 82.9 | Confident | 80.8 | Confident | 136 Ų | 136 | 105.2 Ų | 105.2 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 173.4 | -165.6 | -177.3 | -63.5 | 120.9 | 3.7 | 111.1 | C769 D770 Y771 R775 L776 E777 | C769-R773 WeakPolarHBondContact O-CB 3.36Å; C769-R773 PolarHBondContact O-N 3.19Å; D770-R773 PolarHBondContact O-N 3.24Å; D770-R773 IonicContact OD1-CZ 2.87Å; D770-R773 IonicContact OD1-NH1 3.73Å; D770-R773 PolarHBondContact OD1-NH1 2.91Å; D770-R773 IonicContact OD1-NH2 2.7Å; Y771-R773 VanDerWaalsContact C-N 3.35Å; R773-R775 VanDerWaalsContact C-N 3.32Å; R773-R775 PolarHBondContact O-N 3.03Å; R773-L776 WeakPolarHBondContact O-CB 3.32Å; R773-L776 PolarHBondContact O-N 3.48Å; R773-E777 WeakPolarHBondContact O-CG 3.46Å; R773-E777 PolarHBondContact O-N 2.95Å |
| 774 | E | 83.3 | Confident | 80.3 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 175.5 | -172.8 | 178.7 | -170.9 | 0 | 0 | 111.7 | D770 E777 L778 | D770-E774 PolarHBondContact O-N 3.12Å; E774-E777 PolarHBondContact O-N 2.84Å; E774-L778 PolarHBondContact O-N 3.32Å |
| 775 | R | 81.9 | Confident | 80.2 | Confident | 154 Ų | 154 | 105.1 Ų | 105.1 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.4 | -33.2 | 176.2 | -171 | 174.9 | 141.2 | 157.9 | -4.2 | 112.8 | Y771 R773 S779 | Y771-R775 WeakPolarHBondContact O-CB 3.24Å; Y771-R775 PolarHBondContact O-N 3.19Å; R773-R775 VanDerWaalsContact C-N 3.32Å; R773-R775 PolarHBondContact O-N 3.03Å; R775-S779 WeakPolarHBondContact O-CB 3.35Å; R775-S779 PolarHBondContact O-N 3.31Å |
| 776 | L | 78.4 | Confident | 80.4 | Confident | 101 Ų | 101 | 107.7 Ų | 107.7 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -46.8 | 172.7 | -178 | 65.9 | 0 | 0 | 0 | 110.6 | Y772 R773 L778 S779 E780 | Y772-L776 WeakPolarHBondContact O-CB 3.49Å; Y772-L776 PolarHBondContact O-N 3.38Å; R773-L776 WeakPolarHBondContact O-CB 3.32Å; R773-L776 PolarHBondContact O-N 3.48Å; L776-L778 VanDerWaalsContact C-N 3.33Å; L776-L778 PolarHBondContact O-N 2.91Å; L776-S779 WeakPolarHBondContact O-CB 3.5Å; L776-S779 PolarHBondContact O-N 2.97Å; L776-S779 VanDerWaalsContact O-N 3.13Å; L776-E780 WeakPolarHBondContact O-CG 3.5Å; L776-E780 PolarHBondContact O-N 2.99Å |
| 777 | E | 80.4 | Confident | 80 | Confident | 116 Ų | 116 | 106.9 Ų | 106.9 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.2 | -42 | 175.9 | -72.1 | 173 | -167.7 | 0 | 0 | 112 | R773 E774 E780 Y781 | R773-E777 WeakPolarHBondContact O-CG 3.46Å; R773-E777 PolarHBondContact O-N 2.95Å; E774-E777 PolarHBondContact O-N 2.84Å; E777-E780 PolarHBondContact O-N 3.29Å; E777-Y781 WeakPolarHBondContact O-CB 3.44Å; E777-Y781 PolarHBondContact O-N 2.98Å |
| 778 | L | 81.4 | Confident | 79.8 | Confident | 97 Ų | 97 | 106.8 Ų | 106.8 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 173.3 | -81.1 | 166.4 | 0 | 0 | 0 | 112.3 | E774 L776 E780 Y781 E782 | E774-L778 PolarHBondContact O-N 3.32Å; L776-L778 VanDerWaalsContact C-N 3.33Å; L776-L778 PolarHBondContact O-N 2.91Å; L778-E780 VanDerWaalsContact C-N 3.31Å; L778-E780 PolarHBondContact O-N 3.05Å; L778-Y781 PolarHBondContact O-N 3.44Å; L778-E782 WeakPolarHBondContact O-CG 3.44Å; L778-E782 PolarHBondContact O-N 3.41Å |
| 779 | S | 76.7 | Confident | 80.1 | Confident | 70 Ų | 70 | 106.6 Ų | 106.6 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 177.7 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | R775 L776 S783 | R775-S779 WeakPolarHBondContact O-CB 3.35Å; R775-S779 PolarHBondContact O-N 3.31Å; L776-S779 WeakPolarHBondContact O-CB 3.5Å; L776-S779 PolarHBondContact O-N 2.97Å; L776-S779 VanDerWaalsContact O-N 3.13Å; S779-S783 VanDerWaalsContact O-CB 3.26Å; S779-S783 WeakPolarHBondContact O-CB 3.22Å; S779-S783 PolarHBondContact O-N 3.2Å |
| 780 | E | 75.5 | Confident | 80.1 | Confident | 82 Ų | 82 | 108 Ų | 108 | 38% | 0.383 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -39.4 | 175.4 | -74.3 | -177 | 166.7 | 0 | 0 | 112 | L776 E777 L778 S784 | L776-E780 WeakPolarHBondContact O-CG 3.5Å; L776-E780 PolarHBondContact O-N 2.99Å; E777-E780 PolarHBondContact O-N 3.29Å; L778-E780 VanDerWaalsContact C-N 3.31Å; L778-E780 PolarHBondContact O-N 3.05Å; E780-S784 VanDerWaalsContact O-CB 3.28Å; E780-S784 WeakPolarHBondContact O-CB 3.49Å; E780-S784 PolarHBondContact O-N 2.95Å; E780-S784 PolarHBondContact O-OG 3.01Å |
| 781 | Y | 83.3 | Confident | 80 | Confident | 157 Ų | 157 | 107.7 Ų | 107.7 | 62% | 0.616 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -46.4 | 173.4 | 177.5 | -99.8 | 0 | 0 | 0 | 111.5 | E777 L778 S784 K785 | E777-Y781 WeakPolarHBondContact O-CB 3.44Å; E777-Y781 PolarHBondContact O-N 2.98Å; L778-Y781 PolarHBondContact O-N 3.44Å; Y781-S784 PolarHBondContact O-N 3.04Å; Y781-K785 WeakPolarHBondContact O-CB 3.4Å; Y781-K785 PolarHBondContact O-N 3.35Å |
| 782 | E | 79.6 | Confident | 79.9 | Confident | 127 Ų | 127 | 107.4 Ų | 107.4 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 176.8 | -73.2 | -177.9 | 168.7 | 0 | 0 | 112.2 | L778 S784 K785 L786 | L778-E782 WeakPolarHBondContact O-CG 3.44Å; L778-E782 PolarHBondContact O-N 3.41Å; E782-S784 VanDerWaalsContact C-N 3.32Å; E782-S784 PolarHBondContact O-N 3.27Å; E782-K785 PolarHBondContact O-N 3.46Å; E782-L786 PolarHBondContact O-N 2.92Å |
| 783 | S | 75.6 | Confident | 79.9 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 38% | 0.378 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | S779 L786 R787 | S779-S783 VanDerWaalsContact O-CB 3.26Å; S779-S783 WeakPolarHBondContact O-CB 3.22Å; S779-S783 PolarHBondContact O-N 3.2Å; S783-L786 PolarHBondContact O-N 3.35Å; S783-R787 WeakPolarHBondContact O-CG 3.47Å; S783-R787 PolarHBondContact O-N 2.83Å |
| 784 | S | 74.6 | Confident | 79.8 | Confident | 52 Ų | 52 | 100.4 Ų | 100.4 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 177.1 | -58 | 0 | 0 | 0 | 0 | 112.2 | E780 Y781 E782 R787 M788 | E780-S784 VanDerWaalsContact O-CB 3.28Å; E780-S784 WeakPolarHBondContact O-CB 3.49Å; E780-S784 PolarHBondContact O-N 2.95Å; E780-S784 PolarHBondContact O-OG 3.01Å; Y781-S784 PolarHBondContact O-N 3.04Å; E782-S784 VanDerWaalsContact C-N 3.32Å; E782-S784 PolarHBondContact O-N 3.27Å; S784-R787 PolarHBondContact O-N 3.36Å; S784-R787 PolarHBondContact OG-NH2 3.43Å; S784-M788 WeakPolarHBondContact O-CG 3.33Å; S784-M788 PolarHBondContact O-N 3.44Å |
| 785 | K | 81.6 | Confident | 79.7 | Confident | 124 Ų | 124 | 97.5 Ų | 97.5 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 171.9 | -171.8 | -178.6 | -179.8 | -174.6 | 0 | 111.9 | Y781 E782 R787 M788 L789 | Y781-K785 WeakPolarHBondContact O-CB 3.4Å; Y781-K785 PolarHBondContact O-N 3.35Å; E782-K785 PolarHBondContact O-N 3.46Å; K785-R787 VanDerWaalsContact C-N 3.35Å; K785-M788 PolarHBondContact O-N 2.91Å; K785-L789 HydrophobicContact CG-CD1 4.49Å; K785-L789 WeakPolarHBondContact O-CG 3.33Å; K785-L789 PolarHBondContact O-N 3.29Å |
| 786 | L | 80.4 | Confident | 79.9 | Confident | 105 Ų | 105 | 93.9 Ų | 93.9 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.1 | -146.7 | 107 | 0 | 0 | 0 | 111.1 | E782 S783 L789 Q790 | E782-L786 PolarHBondContact O-N 2.92Å; S783-L786 PolarHBondContact O-N 3.35Å; L786-L789 PolarHBondContact O-N 3.49Å; L786-Q790 WeakPolarHBondContact O-CG 3.44Å; L786-Q790 PolarHBondContact O-N 2.97Å |
| 787 | R | 75.3 | Confident | 80.2 | Confident | 109 Ų | 109 | 94.1 Ų | 94.1 | 41% | 0.411 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 173.8 | -78.2 | -176.3 | -74.2 | -151.2 | 1.6 | 112.7 | S783 S784 K785 Q790 M791 | S783-R787 WeakPolarHBondContact O-CG 3.47Å; S783-R787 PolarHBondContact O-N 2.83Å; S784-R787 PolarHBondContact O-N 3.36Å; S784-R787 PolarHBondContact OG-NH2 3.43Å; K785-R787 VanDerWaalsContact C-N 3.35Å; R787-Q790 PolarHBondContact O-N 3.02Å; R787-M791 PolarHBondContact O-N 3.25Å |
| 788 | M | 80.8 | Confident | 80.2 | Confident | 136 Ų | 136 | 94.1 Ų | 94.1 | 67% | 0.67 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 174.9 | -76.5 | -66.2 | -60.8 | 0 | 0 | 112.2 | S784 K785 Q790 M791 E792 | S784-M788 WeakPolarHBondContact O-CG 3.33Å; S784-M788 PolarHBondContact O-N 3.44Å; K785-M788 PolarHBondContact O-N 2.91Å; M788-Q790 VanDerWaalsContact C-N 3.34Å; M788-Q790 PolarHBondContact O-N 3.48Å; M788-M791 PolarHBondContact O-N 3.21Å; M788-E792 PolarHBondContact O-N 3.08Å |
| 789 | L | 84.4 | Confident | 80.4 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 176.8 | -72.5 | 169.6 | 0 | 0 | 0 | 112.2 | K785 L786 E792 S793 | K785-L789 HydrophobicContact CG-CD1 4.49Å; K785-L789 WeakPolarHBondContact O-CG 3.33Å; K785-L789 PolarHBondContact O-N 3.29Å; L786-L789 PolarHBondContact O-N 3.49Å; L789-E792 PolarHBondContact O-N 3.27Å; L789-S793 WeakPolarHBondContact O-CB 3.3Å; L789-S793 PolarHBondContact O-N 3.42Å |
| 790 | Q | 79 | Confident | 80.9 | Confident | 99 Ų | 99 | 97.6 Ų | 97.6 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 173.7 | -75.9 | 175.2 | -31.4 | 0 | 0 | 111.3 | L786 R787 M788 E792 S793 I794 | L786-Q790 WeakPolarHBondContact O-CG 3.44Å; L786-Q790 PolarHBondContact O-N 2.97Å; R787-Q790 PolarHBondContact O-N 3.02Å; M788-Q790 VanDerWaalsContact C-N 3.34Å; M788-Q790 PolarHBondContact O-N 3.48Å; Q790-E792 PolarHBondContact O-N 2.88Å; Q790-S793 PolarHBondContact O-N 3.25Å; Q790-S793 VanDerWaalsContact O-N 3.16Å; Q790-S793 PolarHBondContact O-OG 3.3Å; Q790-I794 WeakPolarHBondContact O-CG1 3.24Å; Q790-I794 PolarHBondContact O-N 3.29Å |
| 791 | M | 80.1 | Confident | 81.3 | Confident | 72 Ų | 72 | 98.7 Ų | 98.7 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 175.4 | -82.6 | -66.5 | -179 | 0 | 0 | 112.8 | V633 R787 M788 S793 I794 A795 | V633-M791 HydrophobicContact CG1-CE 4.18Å; V633-M791 HydrophobicContact CG2-CE 3.9Å; R787-M791 PolarHBondContact O-N 3.25Å; M788-M791 PolarHBondContact O-N 3.21Å; M791-S793 VanDerWaalsContact C-N 3.32Å; M791-S793 PolarHBondContact O-N 3.4Å; M791-I794 PolarHBondContact O-N 2.86Å; M791-A795 WeakPolarHBondContact O-CB 3.41Å; M791-A795 PolarHBondContact O-N 2.92Å |
| 792 | E | 83.3 | Confident | 81.5 | Confident | 118 Ų | 118 | 98.5 Ų | 98.5 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 174.7 | -171.1 | 175.7 | -174.4 | 0 | 0 | 111.6 | M788 L789 Q790 A795 N796 | M788-E792 PolarHBondContact O-N 3.08Å; L789-E792 PolarHBondContact O-N 3.27Å; Q790-E792 PolarHBondContact O-N 2.88Å; E792-A795 PolarHBondContact O-N 3.45Å; E792-N796 WeakPolarHBondContact O-CB 3.2Å; E792-N796 VanDerWaalsContact O-CG 3.27Å; E792-N796 PolarHBondContact O-N 3.44Å; E792-N796 PolarHBondContact O-ND2 3.04Å; E792-N796 VanDerWaalsContact O-ND2 3.16Å |
| 793 | S | 79.8 | Confident | 81.8 | Confident | 56 Ų | 56 | 97.5 Ų | 97.5 | 39% | 0.392 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 175.5 | 79.2 | 0 | 0 | 0 | 0 | 112.5 | L789 Q790 M791 N796 I797 | L789-S793 WeakPolarHBondContact O-CB 3.3Å; L789-S793 PolarHBondContact O-N 3.42Å; Q790-S793 PolarHBondContact O-N 3.25Å; Q790-S793 VanDerWaalsContact O-N 3.16Å; Q790-S793 PolarHBondContact O-OG 3.3Å; M791-S793 VanDerWaalsContact C-N 3.32Å; M791-S793 PolarHBondContact O-N 3.4Å; S793-N796 PolarHBondContact O-N 3.31Å; S793-I797 VanDerWaalsContact O-CG1 3.28Å; S793-I797 WeakPolarHBondContact O-CG1 3.47Å; S793-I797 PolarHBondContact O-N 3.48Å |
| 794 | I | 81 | Confident | 82.3 | Confident | 66 Ų | 66 | 101 Ų | 101 | 34% | 0.338 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 176.6 | -67.2 | 167.4 | 0 | 0 | 0 | 109.9 | Q790 M791 N796 I797 H798 | Q790-I794 WeakPolarHBondContact O-CG1 3.24Å; Q790-I794 PolarHBondContact O-N 3.29Å; M791-I794 PolarHBondContact O-N 2.86Å; I794-N796 VanDerWaalsContact C-N 3.32Å; I794-N796 PolarHBondContact O-N 2.98Å; I794-I797 PolarHBondContact O-N 3Å; I794-H798 PolarHBondContact O-N 3.5Å |
| 795 | A | 81.2 | Confident | 82.8 | Confident | 59 Ų | 59 | 102.1 Ų | 102.1 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M791 E792 H798 H799 | M791-A795 WeakPolarHBondContact O-CB 3.41Å; M791-A795 PolarHBondContact O-N 2.92Å; E792-A795 PolarHBondContact O-N 3.45Å; A795-H798 PolarHBondContact O-N 3.48Å; A795-H799 PolarHBondContact O-N 3.19Å |
| 796 | N | 85.1 | Confident | 83 | Confident | 77 Ų | 77 | 99.1 Ų | 99.1 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 175.4 | -75.8 | -32.1 | 0 | 0 | 0 | 112.3 | E792 S793 I794 H798 H799 Y800 | E792-N796 WeakPolarHBondContact O-CB 3.2Å; E792-N796 VanDerWaalsContact O-CG 3.27Å; E792-N796 PolarHBondContact O-N 3.44Å; E792-N796 PolarHBondContact O-ND2 3.04Å; E792-N796 VanDerWaalsContact O-ND2 3.16Å; S793-N796 PolarHBondContact O-N 3.31Å; I794-N796 VanDerWaalsContact C-N 3.32Å; I794-N796 PolarHBondContact O-N 2.98Å; N796-H798 VanDerWaalsContact C-N 3.31Å; N796-H798 PolarHBondContact O-N 2.97Å; N796-H799 PolarHBondContact O-N 2.96Å; N796-Y800 HydrophobicContact CB-CE2 4.38Å; N796-Y800 WeakPolarHBondContact O-CD2 3.34Å; N796-Y800 PolarHBondContact O-N 2.86Å |
| 797 | I | 84.5 | Confident | 83.3 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 54% | 0.544 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 175.1 | -69.7 | 165.1 | 0 | 0 | 0 | 110.2 | S793 I794 H799 Y800 K801 | S793-I797 VanDerWaalsContact O-CG1 3.28Å; S793-I797 WeakPolarHBondContact O-CG1 3.47Å; S793-I797 PolarHBondContact O-N 3.48Å; I794-I797 PolarHBondContact O-N 3Å; I797-H799 PolarHBondContact O-N 3.23Å; I797-Y800 PolarHBondContact O-N 3.1Å; I797-K801 WeakPolarHBondContact O-CB 3.45Å; I797-K801 PolarHBondContact O-N 3.38Å |
| 798 | H | 80.2 | Confident | 83.9 | Confident | 117 Ų | 117 | 92.9 Ų | 92.9 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 177.5 | -170.5 | -96.5 | 0 | 0 | 0 | 112.1 | I794 A795 N796 K801 K802 | I794-H798 PolarHBondContact O-N 3.5Å; A795-H798 PolarHBondContact O-N 3.48Å; N796-H798 VanDerWaalsContact C-N 3.31Å; N796-H798 PolarHBondContact O-N 2.97Å; H798-K801 PolarHBondContact O-N 3.5Å; H798-K802 PolarHBondContact O-N 2.8Å; H798-K802 VanDerWaalsContact O-N 3.07Å |
| 799 | H | 86.1 | Confident | 84.1 | Confident | 102 Ų | 102 | 91.6 Ų | 91.6 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 173.6 | 177 | -93 | 0 | 0 | 0 | 112.4 | A795 N796 I797 K802 Q803 | A795-H799 PolarHBondContact O-N 3.19Å; N796-H799 PolarHBondContact O-N 2.96Å; I797-H799 PolarHBondContact O-N 3.23Å; H799-K802 PolarHBondContact O-N 3.35Å; H799-Q803 PolarHBondContact CE1-NE2 3.38Å; H799-Q803 PolarHBondContact O-N 3.27Å; H799-Q803 VanDerWaalsContact O-N 3.1Å |
| 800 | Y | 86.8 | Confident | 84.3 | Confident | 138 Ų | 138 | 92.2 Ų | 92.2 | 54% | 0.541 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 175.8 | -70 | -54.4 | 0 | 0 | 0 | 112.6 | N796 I797 K802 Q803 I804 | N796-Y800 HydrophobicContact CB-CE2 4.38Å; N796-Y800 WeakPolarHBondContact O-CD2 3.34Å; N796-Y800 PolarHBondContact O-N 2.86Å; I797-Y800 PolarHBondContact O-N 3.1Å; Y800-K802 VanDerWaalsContact C-N 3.29Å; Y800-K802 PolarHBondContact O-N 2.94Å; Y800-Q803 PolarHBondContact O-N 2.86Å; Y800-Q803 VanDerWaalsContact O-N 3.14Å; Y800-I804 WeakPolarHBondContact O-CG1 3.47Å; Y800-I804 PolarHBondContact O-N 3.38Å |
| 801 | K | 85.8 | Confident | 84.7 | Confident | 104 Ų | 104 | 92.7 Ų | 92.7 | 45% | 0.452 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.4 | -45.1 | 174.9 | -172 | 178.9 | -179 | -178 | 0 | 110.7 | I797 H798 I804 T805 | I797-K801 WeakPolarHBondContact O-CB 3.45Å; I797-K801 PolarHBondContact O-N 3.38Å; H798-K801 PolarHBondContact O-N 3.5Å; K801-I804 PolarHBondContact O-N 3.13Å; K801-T805 PolarHBondContact O-N 2.66Å; K801-T805 PolarHBondContact O-OG1 2.77Å |
| 802 | K | 85.5 | Confident | 85 | Confident | 153 Ų | 153 | 95.3 Ų | 95.3 | 67% | 0.665 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -37.7 | 176.8 | -168.2 | 173.8 | -176.8 | 173 | 0 | 113.2 | H798 H799 Y800 T805 C806 | H798-K802 PolarHBondContact O-N 2.8Å; H798-K802 VanDerWaalsContact O-N 3.07Å; H799-K802 PolarHBondContact O-N 3.35Å; Y800-K802 VanDerWaalsContact C-N 3.29Å; Y800-K802 PolarHBondContact O-N 2.94Å; K802-T805 WeakPolarHBondContact CA-OG1 3.24Å; K802-T805 PolarHBondContact O-OG1 3.48Å; K802-C806 PolarHBondContact O-N 2.98Å; K802-C806 VanDerWaalsContact O-N 3.14Å |
| 803 | Q | 86.1 | Confident | 85.3 | Confident | 107 Ų | 107 | 96.1 Ų | 96.1 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 173.7 | -73.4 | -171.7 | -9.8 | 0 | 0 | 112.2 | H799 Y800 C806 G807 | H799-Q803 PolarHBondContact CE1-NE2 3.38Å; H799-Q803 PolarHBondContact O-N 3.27Å; H799-Q803 VanDerWaalsContact O-N 3.1Å; Y800-Q803 PolarHBondContact O-N 2.86Å; Y800-Q803 VanDerWaalsContact O-N 3.14Å; Q803-C806 PolarHBondContact O-N 3.22Å; Q803-G807 PolarHBondContact O-N 3.21Å |
| 804 | I | 87.3 | Confident | 85.7 | Confident | 126 Ų | 126 | 99.3 Ų | 99.3 | 65% | 0.646 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 177.6 | -68.2 | 167.7 | 0 | 0 | 0 | 110.6 | Y800 K801 G807 A808 | Y800-I804 WeakPolarHBondContact O-CG1 3.47Å; Y800-I804 PolarHBondContact O-N 3.38Å; K801-I804 PolarHBondContact O-N 3.13Å; I804-G807 PolarHBondContact O-N 3.28Å; I804-G807 VanDerWaalsContact O-N 3.16Å; I804-A808 PolarHBondContact O-N 3.47Å |
| 805 | T | 85.4 | Confident | 86.1 | Confident | 76 Ų | 76 | 101 Ų | 101 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.5 | 10.1 | 0 | 0 | 0 | 0 | 111.6 | K801 K802 G807 A808 E809 | K801-T805 PolarHBondContact O-N 2.66Å; K801-T805 PolarHBondContact O-OG1 2.77Å; K802-T805 WeakPolarHBondContact CA-OG1 3.24Å; K802-T805 PolarHBondContact O-OG1 3.48Å; T805-G807 VanDerWaalsContact C-N 3.27Å; T805-G807 PolarHBondContact O-N 3.32Å; T805-A808 PolarHBondContact O-N 3.31Å; T805-E809 PolarHBondContact O-N 3.02Å |
| 806 | C | 84.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 103.7 Ų | 103.7 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -34.5 | 174.9 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | K802 Q803 Q810 | K802-C806 PolarHBondContact O-N 2.98Å; K802-C806 VanDerWaalsContact O-N 3.14Å; Q803-C806 PolarHBondContact O-N 3.22Å; C806-Q810 WeakPolarHBondContact O-CG 3.24Å; C806-Q810 PolarHBondContact O-N 2.89Å |
| 807 | G | 87.8 | Confident | 86.7 | Confident | 29 Ų | 29 | 106 Ų | 106 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | Q803 I804 T805 Q810 L811 | Q803-G807 PolarHBondContact O-N 3.21Å; I804-G807 PolarHBondContact O-N 3.28Å; I804-G807 VanDerWaalsContact O-N 3.16Å; T805-G807 VanDerWaalsContact C-N 3.27Å; T805-G807 PolarHBondContact O-N 3.32Å; G807-Q810 PolarHBondContact O-N 2.75Å; G807-L811 PolarHBondContact O-N 3.38Å |
| 808 | A | 86.5 | Confident | 87 | Confident | 54 Ų | 54 | 105.6 Ų | 105.6 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | I804 T805 Q810 L811 E812 | I804-A808 PolarHBondContact O-N 3.47Å; T805-A808 PolarHBondContact O-N 3.31Å; A808-Q810 VanDerWaalsContact C-N 3.27Å; A808-Q810 PolarHBondContact O-N 2.76Å; A808-L811 PolarHBondContact O-N 3.31Å; A808-L811 VanDerWaalsContact O-N 3.16Å; A808-E812 PolarHBondContact O-N 2.9Å |
| 809 | E | 86.3 | Confident | 87.4 | Confident | 110 Ų | 110 | 102.9 Ų | 102.9 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -33.6 | 175.3 | -71.3 | 178 | -171.5 | 0 | 0 | 112.9 | T805 K813 | T805-E809 PolarHBondContact O-N 3.02Å; E809-K813 WeakPolarHBondContact O-CG 3.48Å; E809-K813 PolarHBondContact O-N 3.05Å |
| 810 | Q | 87.9 | Confident | 87.6 | Confident | 107 Ų | 107 | 103.5 Ų | 103.5 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.7 | -40.4 | 175 | -73.3 | 179.9 | 10 | 0 | 0 | 112.1 | C806 G807 A808 E812 K813 F814 | C806-Q810 WeakPolarHBondContact O-CG 3.24Å; C806-Q810 PolarHBondContact O-N 2.89Å; G807-Q810 PolarHBondContact O-N 2.75Å; A808-Q810 VanDerWaalsContact C-N 3.27Å; A808-Q810 PolarHBondContact O-N 2.76Å; Q810-E812 VanDerWaalsContact C-N 3.34Å; Q810-K813 PolarHBondContact O-N 3.18Å; Q810-F814 WeakPolarHBondContact O-CD2 3.32Å; Q810-F814 PolarHBondContact O-N 2.95Å |
| 811 | L | 86.7 | Confident | 87.8 | Confident | 109 Ų | 109 | 101.5 Ų | 101.5 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -40.4 | 175.7 | -80.6 | 168 | 0 | 0 | 0 | 111.7 | G807 A808 K813 F814 N815 | G807-L811 PolarHBondContact O-N 3.38Å; A808-L811 PolarHBondContact O-N 3.31Å; A808-L811 VanDerWaalsContact O-N 3.16Å; L811-K813 PolarHBondContact O-N 2.98Å; L811-F814 PolarHBondContact O-N 2.99Å; L811-N815 WeakPolarHBondContact O-CB 3.48Å; L811-N815 PolarHBondContact O-N 2.76Å |
| 812 | E | 87.2 | Confident | 88 | Confident | 126 Ų | 126 | 99.8 Ų | 99.8 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.7 | -47 | 175.5 | -167.4 | 173.5 | -164.1 | 0 | 0 | 111.3 | A808 Q810 F814 N815 E816 | A808-E812 PolarHBondContact O-N 2.9Å; Q810-E812 VanDerWaalsContact C-N 3.34Å; E812-F814 VanDerWaalsContact C-N 3.32Å; E812-F814 PolarHBondContact O-N 3.48Å; E812-N815 PolarHBondContact O-N 3.39Å; E812-E816 PolarHBondContact O-N 2.92Å |
| 813 | K | 88.4 | Confident | 88.2 | Confident | 135 Ų | 135 | 98.5 Ų | 98.5 | 59% | 0.587 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.9 | -36.8 | 174 | -72.3 | 172.5 | -177.3 | 166.5 | 0 | 113.3 | E809 Q810 L811 K817 | E809-K813 WeakPolarHBondContact O-CG 3.48Å; E809-K813 PolarHBondContact O-N 3.05Å; Q810-K813 PolarHBondContact O-N 3.18Å; L811-K813 PolarHBondContact O-N 2.98Å; K813-K817 PolarHBondContact O-N 3.31Å |
| 814 | F | 88.8 | Confident | 88.4 | Confident | 123 Ų | 123 | 99.2 Ų | 99.2 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.2 | -39 | 175.5 | -75.6 | -53.8 | 0 | 0 | 0 | 112 | Q810 L811 E812 K817 I818 | Q810-F814 WeakPolarHBondContact O-CD2 3.32Å; Q810-F814 PolarHBondContact O-N 2.95Å; L811-F814 PolarHBondContact O-N 2.99Å; E812-F814 VanDerWaalsContact C-N 3.32Å; E812-F814 PolarHBondContact O-N 3.48Å; F814-K817 PolarHBondContact O-N 3.24Å; F814-I818 VanDerWaalsContact O-CG1 3.31Å; F814-I818 WeakPolarHBondContact O-CG1 3.36Å; F814-I818 PolarHBondContact O-N 3.41Å |
| 815 | N | 89.4 | Confident | 88.6 | Confident | 103 Ų | 103 | 99 Ų | 99 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 176.3 | -75.7 | -18.9 | 0 | 0 | 0 | 111.6 | L811 E812 K817 I818 A819 | L811-N815 WeakPolarHBondContact O-CB 3.48Å; L811-N815 PolarHBondContact O-N 2.76Å; E812-N815 PolarHBondContact O-N 3.39Å; N815-K817 VanDerWaalsContact C-N 3.3Å; N815-K817 PolarHBondContact O-N 3.32Å; N815-I818 PolarHBondContact O-N 2.99Å; N815-A819 PolarHBondContact O-N 2.91Å |
| 816 | E | 89.4 | Confident | 88.7 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 172.7 | -72.7 | -176.2 | 161.4 | 0 | 0 | 111.9 | E812 A819 Q820 | E812-E816 PolarHBondContact O-N 2.92Å; E816-A819 PolarHBondContact O-N 3.43Å; E816-Q820 WeakPolarHBondContact O-CG 3.39Å; E816-Q820 PolarHBondContact O-N 3.5Å |
| 817 | K | 90.3 | Very high | 89 | Confident | 125 Ų | 125 | 102.8 Ų | 102.8 | 54% | 0.543 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 178.4 | -167.5 | 172.2 | -175.5 | 176.3 | 0 | 112.7 | K813 F814 N815 L821 | K813-K817 PolarHBondContact O-N 3.31Å; F814-K817 PolarHBondContact O-N 3.24Å; N815-K817 VanDerWaalsContact C-N 3.3Å; N815-K817 PolarHBondContact O-N 3.32Å; K817-L821 HydrophobicContact CG-CD1 4.36Å; K817-L821 WeakPolarHBondContact O-CB 3.49Å; K817-L821 VanDerWaalsContact O-CG 3.32Å; K817-L821 WeakPolarHBondContact O-CG 3.42Å; K817-L821 PolarHBondContact O-N 2.83Å |
| 818 | I | 89.3 | Confident | 89.1 | Confident | 98 Ų | 98 | 109 Ų | 109 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 174.6 | -72.2 | 167.4 | 0 | 0 | 0 | 110.1 | F814 N815 Q820 L821 S822 | F814-I818 VanDerWaalsContact O-CG1 3.31Å; F814-I818 WeakPolarHBondContact O-CG1 3.36Å; F814-I818 PolarHBondContact O-N 3.41Å; N815-I818 PolarHBondContact O-N 2.99Å; I818-Q820 PolarHBondContact O-N 3.49Å; I818-L821 PolarHBondContact O-N 3.35Å; I818-S822 WeakPolarHBondContact O-CB 3.49Å; I818-S822 PolarHBondContact O-N 3.42Å; I818-S822 PolarHBondContact O-OG 2.89Å |
| 819 | A | 89.6 | Confident | 89.2 | Confident | 60 Ų | 60 | 111.2 Ų | 111.2 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N815 E816 L821 S822 E823 | N815-A819 PolarHBondContact O-N 2.91Å; E816-A819 PolarHBondContact O-N 3.43Å; A819-L821 PolarHBondContact O-N 3.46Å; A819-S822 PolarHBondContact O-N 2.9Å; A819-E823 PolarHBondContact O-N 3.27Å |
| 820 | Q | 90.4 | Very high | 89.4 | Confident | 115 Ų | 115 | 111.2 Ų | 111.2 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 176.3 | -71.2 | 174.5 | 8.1 | 0 | 0 | 113.1 | E816 I818 S822 Q824 | E816-Q820 WeakPolarHBondContact O-CG 3.39Å; E816-Q820 PolarHBondContact O-N 3.5Å; I818-Q820 PolarHBondContact O-N 3.49Å; Q820-S822 VanDerWaalsContact C-N 3.32Å; Q820-Q824 WeakPolarHBondContact O-CG 3.31Å; Q820-Q824 PolarHBondContact O-N 3.48Å; Q820-Q824 VanDerWaalsContact O-N 3.11Å |
| 821 | L | 90.5 | Very high | 89.4 | Confident | 96 Ų | 96 | 109.1 Ų | 109.1 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -35.3 | 177.6 | -75.5 | 171 | 0 | 0 | 0 | 112 | K817 I818 A819 Q824 L825 | K817-L821 HydrophobicContact CG-CD1 4.36Å; K817-L821 WeakPolarHBondContact O-CB 3.49Å; K817-L821 VanDerWaalsContact O-CG 3.32Å; K817-L821 WeakPolarHBondContact O-CG 3.42Å; K817-L821 PolarHBondContact O-N 2.83Å; I818-L821 PolarHBondContact O-N 3.35Å; A819-L821 PolarHBondContact O-N 3.46Å; L821-Q824 PolarHBondContact O-N 2.85Å; L821-L825 WeakPolarHBondContact O-CB 3.3Å; L821-L825 PolarHBondContact O-N 3.34Å |
| 822 | S | 90 | Very high | 89.5 | Confident | 68 Ų | 68 | 110.8 Ų | 110.8 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 179.4 | -57.4 | 0 | 0 | 0 | 0 | 111 | I818 A819 Q820 L825 E826 | I818-S822 WeakPolarHBondContact O-CB 3.49Å; I818-S822 PolarHBondContact O-N 3.42Å; I818-S822 PolarHBondContact O-OG 2.89Å; A819-S822 PolarHBondContact O-N 2.9Å; Q820-S822 VanDerWaalsContact C-N 3.32Å; S822-L825 PolarHBondContact O-N 2.91Å; S822-E826 PolarHBondContact O-N 3.26Å |
| 823 | E | 90 | Very high | 89.5 | Confident | 126 Ų | 126 | 109.6 Ų | 109.6 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.1 | -44.5 | 173.5 | -171.9 | -179.8 | -169.9 | 0 | 0 | 111.8 | A819 L825 E826 I827 | A819-E823 PolarHBondContact O-N 3.27Å; E823-L825 VanDerWaalsContact C-N 3.3Å; E823-L825 PolarHBondContact O-N 3.47Å; E823-E826 PolarHBondContact O-N 3.48Å; E823-I827 HydrophobicContact CG-CD1 4.3Å; E823-I827 WeakPolarHBondContact O-CG1 3.32Å; E823-I827 PolarHBondContact O-N 3.37Å; E823-I827 VanDerWaalsContact O-N 3.08Å |
| 824 | Q | 90.7 | Very high | 89.5 | Confident | 122 Ų | 122 | 109 Ų | 109 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -37.8 | 175.7 | -73.1 | -178.1 | 15.6 | 0 | 0 | 112.7 | Q820 L821 K828 | Q820-Q824 WeakPolarHBondContact O-CG 3.31Å; Q820-Q824 PolarHBondContact O-N 3.48Å; Q820-Q824 VanDerWaalsContact O-N 3.11Å; L821-Q824 PolarHBondContact O-N 2.85Å; Q824-K828 WeakPolarHBondContact O-CB 3.35Å; Q824-K828 WeakPolarHBondContact O-CG 3.44Å; Q824-K828 PolarHBondContact O-N 2.86Å |
| 825 | L | 90.3 | Very high | 89.4 | Confident | 122 Ų | 122 | 105.9 Ų | 105.9 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.8 | -40.1 | 179.5 | -154.2 | 154.4 | 0 | 0 | 0 | 110.7 | L821 S822 E823 K828 H829 | L821-L825 WeakPolarHBondContact O-CB 3.3Å; L821-L825 PolarHBondContact O-N 3.34Å; S822-L825 PolarHBondContact O-N 2.91Å; E823-L825 VanDerWaalsContact C-N 3.3Å; E823-L825 PolarHBondContact O-N 3.47Å; L825-K828 PolarHBondContact O-N 2.83Å; L825-H829 WeakPolarHBondContact O-CB 3.5Å; L825-H829 PolarHBondContact O-N 3.36Å |
| 826 | E | 89.1 | Confident | 89.3 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 175.6 | -161.7 | -173.2 | 150 | 0 | 0 | 112.2 | S822 E823 K828 H829 K830 | S822-E826 PolarHBondContact O-N 3.26Å; E823-E826 PolarHBondContact O-N 3.48Å; E826-K828 PolarHBondContact O-N 3.36Å; E826-H829 PolarHBondContact O-N 3.21Å; E826-K830 PolarHBondContact O-N 2.76Å; E826-K830 WeakPolarHBondContact OE1-CE 3.31Å; E826-K830 IonicContact OE1-NZ 3.21Å; E826-K830 PolarHBondContact OE1-NZ 3.2Å |
| 827 | I | 90.6 | Very high | 89.2 | Confident | 106 Ų | 106 | 106.1 Ų | 106.1 | 54% | 0.544 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.3 | -66.4 | 166.5 | 0 | 0 | 0 | 110.8 | E823 H829 K830 S831 | E823-I827 HydrophobicContact CG-CD1 4.3Å; E823-I827 WeakPolarHBondContact O-CG1 3.32Å; E823-I827 PolarHBondContact O-N 3.37Å; E823-I827 VanDerWaalsContact O-N 3.08Å; I827-H829 VanDerWaalsContact C-N 3.35Å; I827-K830 PolarHBondContact O-N 3.05Å; I827-S831 PolarHBondContact O-N 3.12Å; I827-S831 VanDerWaalsContact O-N 3.14Å |
| 828 | K | 89.1 | Confident | 89.2 | Confident | 158 Ų | 158 | 106.2 Ų | 106.2 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65 | -37.9 | 177.2 | -79.7 | -72.8 | -175 | -179.4 | 0 | 112.3 | Q824 L825 E826 S831 Y832 | Q824-K828 WeakPolarHBondContact O-CB 3.35Å; Q824-K828 WeakPolarHBondContact O-CG 3.44Å; Q824-K828 PolarHBondContact O-N 2.86Å; L825-K828 PolarHBondContact O-N 2.83Å; E826-K828 PolarHBondContact O-N 3.36Å; K828-S831 PolarHBondContact O-N 2.86Å; K828-Y832 PolarHBondContact O-N 3.49Å |
| 829 | H | 89.9 | Confident | 89.1 | Confident | 101 Ų | 101 | 105.1 Ų | 105.1 | 47% | 0.468 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 177 | -167 | -80.6 | 0 | 0 | 0 | 111.5 | L825 E826 I827 S831 Y832 E833 | L825-H829 WeakPolarHBondContact O-CB 3.5Å; L825-H829 PolarHBondContact O-N 3.36Å; E826-H829 PolarHBondContact O-N 3.21Å; I827-H829 VanDerWaalsContact C-N 3.35Å; H829-S831 VanDerWaalsContact C-N 3.31Å; H829-S831 PolarHBondContact O-N 3.01Å; H829-Y832 WeakPolarHBondContact O-CB 3.37Å; H829-Y832 PolarHBondContact O-N 2.94Å; H829-Y832 VanDerWaalsContact O-N 3.07Å; H829-E833 IonicContact CE1-OE1 3.11Å; H829-E833 PolarHBondContact CE1-OE1 3.47Å; H829-E833 IonicContact ND1-OE1 3.46Å; H829-E833 PolarHBondContact ND1-OE1 2.8Å; H829-E833 IonicContact ND1-OE2 3.82Å; H829-E833 PolarHBondContact O-N 3.36Å |
| 830 | K | 89.2 | Confident | 89 | Confident | 110 Ų | 110 | 107.7 Ų | 107.7 | 48% | 0.478 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 175.9 | -72.6 | 175.3 | -174.8 | 159.2 | 0 | 112 | E826 I827 Y832 E833 E834 | E826-K830 PolarHBondContact O-N 2.76Å; E826-K830 WeakPolarHBondContact OE1-CE 3.31Å; E826-K830 IonicContact OE1-NZ 3.21Å; E826-K830 PolarHBondContact OE1-NZ 3.2Å; I827-K830 PolarHBondContact O-N 3.05Å; K830-Y832 VanDerWaalsContact C-N 3.32Å; K830-Y832 PolarHBondContact O-N 2.86Å; K830-E833 PolarHBondContact O-N 2.84Å; K830-E834 WeakPolarHBondContact O-CG 3.45Å; K830-E834 PolarHBondContact O-N 2.81Å; K830-E834 VanDerWaalsContact O-N 3.08Å |
| 831 | S | 87.9 | Confident | 88.9 | Confident | 63 Ų | 63 | 105.2 Ų | 105.2 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -33.4 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 113.3 | I827 K828 H829 S835 | I827-S831 PolarHBondContact O-N 3.12Å; I827-S831 VanDerWaalsContact O-N 3.14Å; K828-S831 PolarHBondContact O-N 2.86Å; H829-S831 VanDerWaalsContact C-N 3.31Å; H829-S831 PolarHBondContact O-N 3.01Å; S831-S835 PolarHBondContact O-N 3.36Å; S831-S835 PolarHBondContact O-OG 3.38Å |
| 832 | Y | 89.5 | Confident | 88.9 | Confident | 145 Ų | 145 | 106 Ų | 106 | 57% | 0.569 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.2 | -47.5 | 175.1 | 177.6 | -92.4 | 0 | 0 | 0 | 111.4 | K828 H829 K830 E834 S835 E836 | K828-Y832 PolarHBondContact O-N 3.49Å; H829-Y832 WeakPolarHBondContact O-CB 3.37Å; H829-Y832 PolarHBondContact O-N 2.94Å; H829-Y832 VanDerWaalsContact O-N 3.07Å; K830-Y832 VanDerWaalsContact C-N 3.32Å; K830-Y832 PolarHBondContact O-N 2.86Å; Y832-E834 VanDerWaalsContact C-N 3.34Å; Y832-E834 PolarHBondContact O-N 2.86Å; Y832-S835 WeakPolarHBondContact O-CA 3.32Å; Y832-S835 WeakPolarHBondContact O-CB 3.29Å; Y832-S835 PolarHBondContact O-N 3.31Å; Y832-E836 WeakPolarHBondContact CE1-OE2 3.49Å; Y832-E836 PolarHBondContact O-N 3.46Å |
| 833 | E | 87.8 | Confident | 88.8 | Confident | 100 Ų | 100 | 108.6 Ų | 108.6 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.9 | -43.7 | 176.6 | -71.7 | 178.6 | 151.3 | 0 | 0 | 112.1 | H829 K830 S835 E836 L837 | H829-E833 IonicContact CE1-OE1 3.11Å; H829-E833 PolarHBondContact CE1-OE1 3.47Å; H829-E833 IonicContact ND1-OE1 3.46Å; H829-E833 PolarHBondContact ND1-OE1 2.8Å; H829-E833 IonicContact ND1-OE2 3.82Å; H829-E833 PolarHBondContact O-N 3.36Å; K830-E833 PolarHBondContact O-N 2.84Å; E833-S835 VanDerWaalsContact C-N 3.26Å; E833-S835 PolarHBondContact O-N 2.99Å; E833-E836 PolarHBondContact O-N 2.99Å; E833-L837 WeakPolarHBondContact O-CB 3.16Å; E833-L837 PolarHBondContact O-N 2.88Å |
| 834 | E | 88.3 | Confident | 88.7 | Confident | 122 Ų | 122 | 107.2 Ų | 107.2 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -35.8 | 174.5 | -75.9 | -176.1 | -175.1 | 0 | 0 | 112.9 | K830 Y832 K838 | K830-E834 WeakPolarHBondContact O-CG 3.45Å; K830-E834 PolarHBondContact O-N 2.81Å; K830-E834 VanDerWaalsContact O-N 3.08Å; Y832-E834 VanDerWaalsContact C-N 3.34Å; Y832-E834 PolarHBondContact O-N 2.86Å; E834-K838 WeakPolarHBondContact O-CG 3.19Å; E834-K838 PolarHBondContact O-N 3.1Å |
| 835 | S | 85.9 | Confident | 88.7 | Confident | 58 Ų | 58 | 108 Ų | 108 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.3 | -40.2 | 179.1 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | S831 Y832 E833 K838 V839 | S831-S835 PolarHBondContact O-N 3.36Å; S831-S835 PolarHBondContact O-OG 3.38Å; Y832-S835 WeakPolarHBondContact O-CA 3.32Å; Y832-S835 WeakPolarHBondContact O-CB 3.29Å; Y832-S835 PolarHBondContact O-N 3.31Å; E833-S835 VanDerWaalsContact C-N 3.26Å; E833-S835 PolarHBondContact O-N 2.99Å; S835-K838 WeakPolarHBondContact O-CB 3.23Å; S835-K838 PolarHBondContact O-N 3.17Å; S835-V839 WeakPolarHBondContact O-CG2 3.35Å; S835-V839 PolarHBondContact O-N 3.31Å |
| 836 | E | 88.1 | Confident | 88.7 | Confident | 108 Ų | 108 | 106.4 Ų | 106.4 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.7 | -169.9 | 168.5 | -162.2 | 0 | 0 | 111.2 | Y832 E833 K838 V839 E840 | Y832-E836 WeakPolarHBondContact CE1-OE2 3.49Å; Y832-E836 PolarHBondContact O-N 3.46Å; E833-E836 PolarHBondContact O-N 2.99Å; E836-K838 VanDerWaalsContact C-N 3.31Å; E836-K838 PolarHBondContact O-N 3.43Å; E836-V839 WeakPolarHBondContact O-CB 3.47Å; E836-V839 PolarHBondContact O-N 3.35Å; E836-V839 VanDerWaalsContact O-N 3.09Å; E836-E840 PolarHBondContact O-N 3.45Å |
| 837 | L | 87.4 | Confident | 88.7 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.7 | -35.6 | 177.5 | -157.7 | 137.7 | 0 | 0 | 0 | 112.3 | E833 T841 | E833-L837 WeakPolarHBondContact O-CB 3.16Å; E833-L837 PolarHBondContact O-N 2.88Å; L837-T841 WeakPolarHBondContact O-CB 3.25Å; L837-T841 PolarHBondContact O-N 2.78Å; L837-T841 PolarHBondContact O-OG1 3.5Å |
| 838 | K | 88.9 | Confident | 88.5 | Confident | 128 Ų | 128 | 106.5 Ų | 106.5 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 171.4 | -77.3 | 169.5 | -175.2 | 161.7 | 0 | 112 | E834 S835 E836 T841 L842 | E834-K838 WeakPolarHBondContact O-CG 3.19Å; E834-K838 PolarHBondContact O-N 3.1Å; S835-K838 WeakPolarHBondContact O-CB 3.23Å; S835-K838 PolarHBondContact O-N 3.17Å; E836-K838 VanDerWaalsContact C-N 3.31Å; E836-K838 PolarHBondContact O-N 3.43Å; K838-T841 PolarHBondContact O-N 3.21Å; K838-L842 WeakPolarHBondContact O-CB 3.27Å; K838-L842 WeakPolarHBondContact O-CG 3.49Å; K838-L842 PolarHBondContact O-N 2.91Å |
| 839 | V | 88.9 | Confident | 88.4 | Confident | 75 Ų | 75 | 101.1 Ų | 101.1 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 177.7 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | S835 E836 T841 L842 Q843 | S835-V839 WeakPolarHBondContact O-CG2 3.35Å; S835-V839 PolarHBondContact O-N 3.31Å; E836-V839 WeakPolarHBondContact O-CB 3.47Å; E836-V839 PolarHBondContact O-N 3.35Å; E836-V839 VanDerWaalsContact O-N 3.09Å; V839-T841 VanDerWaalsContact C-N 3.34Å; V839-T841 PolarHBondContact O-N 2.92Å; V839-L842 PolarHBondContact O-N 3.14Å; V839-Q843 HydrophobicContact CG1-CG 4.36Å; V839-Q843 WeakPolarHBondContact O-CG 3.11Å; V839-Q843 PolarHBondContact O-N 3.13Å |
| 840 | E | 87.5 | Confident | 88.4 | Confident | 114 Ų | 114 | 103.5 Ų | 103.5 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 177.2 | -170 | 179.5 | -171.2 | 0 | 0 | 111.4 | E836 L842 Q843 N844 | E836-E840 PolarHBondContact O-N 3.45Å; E840-L842 VanDerWaalsContact C-N 3.33Å; E840-L842 PolarHBondContact O-N 2.73Å; E840-Q843 PolarHBondContact O-N 3.44Å; E840-N844 PolarHBondContact O-N 3.48Å; E840-N844 PolarHBondContact O-ND2 2.98Å |
| 841 | T | 88.3 | Confident | 88.2 | Confident | 63 Ų | 63 | 103.3 Ų | 103.3 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 175.1 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | L837 K838 V839 N844 K845 | L837-T841 WeakPolarHBondContact O-CB 3.25Å; L837-T841 PolarHBondContact O-N 2.78Å; L837-T841 PolarHBondContact O-OG1 3.5Å; K838-T841 PolarHBondContact O-N 3.21Å; V839-T841 VanDerWaalsContact C-N 3.34Å; V839-T841 PolarHBondContact O-N 2.92Å; T841-N844 PolarHBondContact O-N 3.18Å; T841-K845 WeakPolarHBondContact O-CG 3.41Å; T841-K845 PolarHBondContact O-N 3.4Å; T841-K845 VanDerWaalsContact O-N 3.08Å |
| 842 | L | 89.5 | Confident | 88.3 | Confident | 112 Ų | 112 | 106.6 Ų | 106.6 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.5 | -39 | 177.2 | -74.2 | 171.4 | 0 | 0 | 0 | 112.3 | K838 V839 E840 N844 K845 L846 | K838-L842 WeakPolarHBondContact O-CB 3.27Å; K838-L842 WeakPolarHBondContact O-CG 3.49Å; K838-L842 PolarHBondContact O-N 2.91Å; V839-L842 PolarHBondContact O-N 3.14Å; E840-L842 VanDerWaalsContact C-N 3.33Å; E840-L842 PolarHBondContact O-N 2.73Å; L842-N844 VanDerWaalsContact C-N 3.35Å; L842-K845 PolarHBondContact O-N 3.06Å; L842-L846 WeakPolarHBondContact O-CB 3.38Å; L842-L846 PolarHBondContact O-N 3.14Å |
| 843 | Q | 88.8 | Confident | 88.2 | Confident | 122 Ų | 122 | 104.2 Ų | 104.2 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 175.1 | -75.8 | -177.8 | -1.9 | 0 | 0 | 111.7 | V839 E840 L846 K847 | V839-Q843 HydrophobicContact CG1-CG 4.36Å; V839-Q843 WeakPolarHBondContact O-CG 3.11Å; V839-Q843 PolarHBondContact O-N 3.13Å; E840-Q843 PolarHBondContact O-N 3.44Å; Q843-L846 PolarHBondContact O-N 2.76Å; Q843-K847 WeakPolarHBondContact O-CB 3.31Å; Q843-K847 PolarHBondContact O-N 3.38Å |
| 844 | N | 88 | Confident | 88.1 | Confident | 97 Ų | 97 | 106.7 Ų | 106.7 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 175 | -74.9 | -29.3 | 0 | 0 | 0 | 111.8 | E840 T841 L842 K847 A848 | E840-N844 PolarHBondContact O-N 3.48Å; E840-N844 PolarHBondContact O-ND2 2.98Å; T841-N844 PolarHBondContact O-N 3.18Å; L842-N844 VanDerWaalsContact C-N 3.35Å; N844-K847 PolarHBondContact O-N 3.19Å; N844-A848 PolarHBondContact O-N 2.91Å |
| 845 | K | 89.8 | Confident | 87.9 | Confident | 138 Ų | 138 | 104.1 Ų | 104.1 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 173.7 | -73.6 | 179.3 | -179.9 | -179.4 | 0 | 112.4 | T841 L842 K847 A848 A849 | T841-K845 WeakPolarHBondContact O-CG 3.41Å; T841-K845 PolarHBondContact O-N 3.4Å; T841-K845 VanDerWaalsContact O-N 3.08Å; L842-K845 PolarHBondContact O-N 3.06Å; K845-K847 VanDerWaalsContact C-N 3.34Å; K845-K847 PolarHBondContact O-N 3.38Å; K845-A848 PolarHBondContact O-N 3.26Å; K845-A849 WeakPolarHBondContact O-CB 3.4Å; K845-A849 PolarHBondContact O-N 2.9Å |
| 846 | L | 89.8 | Confident | 88 | Confident | 89 Ų | 89 | 106.5 Ų | 106.5 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 177.1 | -172.8 | 80 | 0 | 0 | 0 | 111.4 | L842 Q843 A849 R850 | L842-L846 WeakPolarHBondContact O-CB 3.38Å; L842-L846 PolarHBondContact O-N 3.14Å; Q843-L846 PolarHBondContact O-N 2.76Å; L846-A849 PolarHBondContact O-N 3.24Å; L846-R850 WeakPolarHBondContact O-CB 3.25Å; L846-R850 WeakPolarHBondContact O-CG 3.33Å; L846-R850 PolarHBondContact O-N 3.2Å |
| 847 | K | 88.8 | Confident | 87.9 | Confident | 155 Ų | 155 | 105.2 Ų | 105.2 | 67% | 0.674 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -44.4 | 176.7 | -170.9 | 179.7 | 179.6 | -177 | 0 | 111.2 | Q843 N844 K845 R850 E851 | Q843-K847 WeakPolarHBondContact O-CB 3.31Å; Q843-K847 PolarHBondContact O-N 3.38Å; N844-K847 PolarHBondContact O-N 3.19Å; K845-K847 VanDerWaalsContact C-N 3.34Å; K845-K847 PolarHBondContact O-N 3.38Å; K847-R850 PolarHBondContact O-N 2.94Å; K847-E851 PolarHBondContact O-N 3.13Å |
| 848 | A | 86.8 | Confident | 87.8 | Confident | 64 Ų | 64 | 105.7 Ų | 105.7 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N844 K845 R850 E851 Q852 | N844-A848 PolarHBondContact O-N 2.91Å; K845-A848 PolarHBondContact O-N 3.26Å; A848-R850 PolarHBondContact O-N 3.42Å; A848-E851 PolarHBondContact O-N 2.92Å; A848-Q852 PolarHBondContact O-N 3.09Å |
| 849 | A | 86.9 | Confident | 87.7 | Confident | 44 Ų | 44 | 102.7 Ų | 102.7 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K845 L846 E851 Q852 I853 | K845-A849 WeakPolarHBondContact O-CB 3.4Å; K845-A849 PolarHBondContact O-N 2.9Å; L846-A849 PolarHBondContact O-N 3.24Å; A849-E851 VanDerWaalsContact C-N 3.34Å; A849-E851 PolarHBondContact O-N 3.13Å; A849-Q852 WeakPolarHBondContact O-CB 3.27Å; A849-Q852 PolarHBondContact O-N 3.29Å; A849-I853 WeakPolarHBondContact O-CG1 3.48Å; A849-I853 PolarHBondContact O-N 3.37Å |
| 850 | R | 90.1 | Very high | 87.6 | Confident | 152 Ų | 152 | 102.5 Ų | 102.5 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -38.4 | 175.4 | -76.9 | 174.7 | 174.6 | 175.5 | -1.3 | 112.5 | L846 K847 A848 I853 R854 | L846-R850 WeakPolarHBondContact O-CB 3.25Å; L846-R850 WeakPolarHBondContact O-CG 3.33Å; L846-R850 PolarHBondContact O-N 3.2Å; K847-R850 PolarHBondContact O-N 2.94Å; A848-R850 PolarHBondContact O-N 3.42Å; R850-I853 PolarHBondContact O-N 3.4Å; R850-R854 PolarHBondContact O-N 3.1Å |
| 851 | E | 86.1 | Confident | 87.4 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 176.4 | -164 | 59.6 | -155.5 | 0 | 0 | 111.5 | K847 A848 A849 I853 R854 S855 | K847-E851 PolarHBondContact O-N 3.13Å; A848-E851 PolarHBondContact O-N 2.92Å; A849-E851 VanDerWaalsContact C-N 3.34Å; A849-E851 PolarHBondContact O-N 3.13Å; E851-I853 VanDerWaalsContact C-N 3.34Å; E851-I853 PolarHBondContact O-N 3.03Å; E851-R854 PolarHBondContact O-N 2.99Å; E851-R854 IonicContact OE2-CZ 3.71Å; E851-R854 IonicContact OE2-NH1 2.75Å; E851-R854 PolarHBondContact OE2-NH1 2.67Å; E851-S855 PolarHBondContact O-N 3.38Å |
| 852 | Q | 89 | Confident | 87.4 | Confident | 132 Ų | 132 | 101.8 Ų | 101.8 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 172.4 | -169.3 | 178.4 | 8.5 | 0 | 0 | 111.8 | A848 A849 S855 M856 | A848-Q852 PolarHBondContact O-N 3.09Å; A849-Q852 WeakPolarHBondContact O-CB 3.27Å; A849-Q852 PolarHBondContact O-N 3.29Å; Q852-S855 PolarHBondContact O-N 3.26Å; Q852-M856 WeakPolarHBondContact O-CG 3.23Å; Q852-M856 PolarHBondContact O-N 3Å |
| 853 | I | 86.9 | Confident | 87.2 | Confident | 95 Ų | 95 | 103.5 Ų | 103.5 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 174.9 | -69.5 | 167 | 0 | 0 | 0 | 110.8 | A849 R850 E851 S855 M856 D857 | A849-I853 WeakPolarHBondContact O-CG1 3.48Å; A849-I853 PolarHBondContact O-N 3.37Å; R850-I853 PolarHBondContact O-N 3.4Å; E851-I853 VanDerWaalsContact C-N 3.34Å; E851-I853 PolarHBondContact O-N 3.03Å; I853-S855 VanDerWaalsContact C-N 3.31Å; I853-S855 PolarHBondContact O-N 2.93Å; I853-M856 CarbonylContact O-C 3.6Å; I853-M856 WeakPolarHBondContact O-CB 3.32Å; I853-M856 PolarHBondContact O-N 3.25Å; I853-M856 VanDerWaalsContact O-N 3.11Å; I853-D857 PolarHBondContact O-N 3.47Å |
| 854 | R | 86.1 | Confident | 87.2 | Confident | 152 Ų | 152 | 104.9 Ų | 104.9 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.6 | -41 | 176.2 | -73.1 | 179.5 | -166.7 | 157 | -5.1 | 112.7 | R850 E851 M856 D857 L858 | R850-R854 PolarHBondContact O-N 3.1Å; E851-R854 PolarHBondContact O-N 2.99Å; E851-R854 IonicContact OE2-CZ 3.71Å; E851-R854 IonicContact OE2-NH1 2.75Å; E851-R854 PolarHBondContact OE2-NH1 2.67Å; R854-M856 VanDerWaalsContact C-N 3.33Å; R854-D857 PolarHBondContact O-N 2.96Å; R854-L858 WeakPolarHBondContact O-CG 3.5Å; R854-L858 PolarHBondContact O-N 3.33Å |
| 855 | S | 84.4 | Confident | 87 | Confident | 69 Ų | 69 | 104.6 Ų | 104.6 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E851 Q852 I853 L858 T859 | E851-S855 PolarHBondContact O-N 3.38Å; Q852-S855 PolarHBondContact O-N 3.26Å; I853-S855 VanDerWaalsContact C-N 3.31Å; I853-S855 PolarHBondContact O-N 2.93Å; S855-L858 PolarHBondContact O-N 3.38Å; S855-T859 PolarHBondContact O-N 2.93Å; S855-T859 VanDerWaalsContact O-N 3.1Å; S855-T859 PolarHBondContact O-OG1 2.86Å |
| 856 | M | 87.4 | Confident | 86.9 | Confident | 107 Ų | 107 | 102.5 Ų | 102.5 | 53% | 0.527 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.6 | -72.5 | 177.7 | 57.2 | 0 | 0 | 111.9 | Q852 I853 R854 L858 T859 I860 | Q852-M856 WeakPolarHBondContact O-CG 3.23Å; Q852-M856 PolarHBondContact O-N 3Å; I853-M856 CarbonylContact O-C 3.6Å; I853-M856 WeakPolarHBondContact O-CB 3.32Å; I853-M856 PolarHBondContact O-N 3.25Å; I853-M856 VanDerWaalsContact O-N 3.11Å; R854-M856 VanDerWaalsContact C-N 3.33Å; M856-L858 PolarHBondContact O-N 2.96Å; M856-T859 CarbonylContact O-C 3.51Å; M856-T859 WeakPolarHBondContact O-CA 3.36Å; M856-T859 WeakPolarHBondContact O-CB 3.5Å; M856-T859 PolarHBondContact O-N 3.39Å; M856-T859 VanDerWaalsContact O-N 3.07Å; M856-I860 WeakPolarHBondContact O-CG1 3.3Å; M856-I860 PolarHBondContact O-N 2.94Å |
| 857 | D | 87.6 | Confident | 86.7 | Confident | 81 Ų | 81 | 103.6 Ų | 103.6 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 178.1 | -72.8 | -26.7 | 0 | 0 | 0 | 111.7 | I853 R854 T859 I860 D861 | I853-D857 PolarHBondContact O-N 3.47Å; R854-D857 PolarHBondContact O-N 2.96Å; D857-T859 VanDerWaalsContact C-N 3.26Å; D857-T859 PolarHBondContact O-N 3.27Å; D857-I860 PolarHBondContact O-N 3.03Å; D857-D861 PolarHBondContact O-N 3.47Å |
| 858 | L | 85.3 | Confident | 86.5 | Confident | 126 Ų | 126 | 100.1 Ų | 100.1 | 66% | 0.66 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.1 | -38.9 | 172.7 | -75.9 | 167.3 | 0 | 0 | 0 | 111.9 | R854 S855 M856 D861 D862 | R854-L858 WeakPolarHBondContact O-CG 3.5Å; R854-L858 PolarHBondContact O-N 3.33Å; S855-L858 PolarHBondContact O-N 3.38Å; M856-L858 PolarHBondContact O-N 2.96Å; L858-D861 PolarHBondContact O-N 3.44Å; L858-D862 PolarHBondContact O-N 3.25Å |
| 859 | T | 86.8 | Confident | 86.4 | Confident | 65 Ų | 65 | 103 Ų | 103 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 177.4 | -42.6 | 0 | 0 | 0 | 0 | 110.9 | S855 M856 D857 D862 Y863 | S855-T859 PolarHBondContact O-N 2.93Å; S855-T859 VanDerWaalsContact O-N 3.1Å; S855-T859 PolarHBondContact O-OG1 2.86Å; M856-T859 CarbonylContact O-C 3.51Å; M856-T859 WeakPolarHBondContact O-CA 3.36Å; M856-T859 WeakPolarHBondContact O-CB 3.5Å; M856-T859 PolarHBondContact O-N 3.39Å; M856-T859 VanDerWaalsContact O-N 3.07Å; D857-T859 VanDerWaalsContact C-N 3.26Å; D857-T859 PolarHBondContact O-N 3.27Å; T859-D862 PolarHBondContact O-N 2.85Å; T859-Y863 HydrophobicContact CG2-CD2 4.13Å; T859-Y863 HydrophobicContact CG2-CE2 3.69Å; T859-Y863 WeakPolarHBondContact O-CD2 3.39Å; T859-Y863 PolarHBondContact O-N 3.29Å |
| 860 | I | 85.6 | Confident | 86.1 | Confident | 71 Ų | 71 | 102.9 Ų | 102.9 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 175.4 | -70.4 | 167.1 | 0 | 0 | 0 | 110.7 | M856 D857 D862 Y863 R864 | M856-I860 WeakPolarHBondContact O-CG1 3.3Å; M856-I860 PolarHBondContact O-N 2.94Å; D857-I860 PolarHBondContact O-N 3.03Å; I860-D862 VanDerWaalsContact C-N 3.34Å; I860-Y863 PolarHBondContact O-N 3.36Å; I860-R864 WeakPolarHBondContact O-CG 3.42Å; I860-R864 PolarHBondContact O-N 3.38Å |
| 861 | D | 84.5 | Confident | 85.9 | Confident | 76 Ų | 76 | 100.5 Ų | 100.5 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 177.8 | -79.5 | -15.2 | 0 | 0 | 0 | 112 | D857 L858 R864 N865 | D857-D861 PolarHBondContact O-N 3.47Å; L858-D861 PolarHBondContact O-N 3.44Å; D861-R864 PolarHBondContact O-N 3.46Å; D861-R864 IonicContact OD1-CZ 3.98Å; D861-R864 IonicContact OD1-NH1 3.02Å; D861-R864 PolarHBondContact OD1-NH1 3.28Å; D861-N865 PolarHBondContact O-N 3.42Å; D861-N865 PolarHBondContact O-ND2 3.14Å |
| 862 | D | 86.3 | Confident | 85.8 | Confident | 85 Ų | 85 | 100.4 Ų | 100.4 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 171.3 | -160.9 | 50.2 | 0 | 0 | 0 | 111.3 | L858 T859 I860 R864 N865 Q866 | L858-D862 PolarHBondContact O-N 3.25Å; T859-D862 PolarHBondContact O-N 2.85Å; I860-D862 VanDerWaalsContact C-N 3.34Å; D862-R864 VanDerWaalsContact C-N 3.32Å; D862-R864 PolarHBondContact O-N 3.38Å; D862-N865 PolarHBondContact O-N 3Å; D862-Q866 WeakPolarHBondContact O-CG 3.43Å; D862-Q866 PolarHBondContact O-N 3.02Å; D862-Q866 PolarHBondContact OD2-NE2 3.32Å |
| 863 | Y | 86.8 | Confident | 85.5 | Confident | 149 Ų | 149 | 100.4 Ų | 100.4 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.5 | -38.7 | 172.7 | -75.3 | -51.3 | 0 | 0 | 0 | 112.7 | T859 I860 Q866 L867 | T859-Y863 HydrophobicContact CG2-CD2 4.13Å; T859-Y863 HydrophobicContact CG2-CE2 3.69Å; T859-Y863 WeakPolarHBondContact O-CD2 3.39Å; T859-Y863 PolarHBondContact O-N 3.29Å; I860-Y863 PolarHBondContact O-N 3.36Å; Y863-Q866 PolarHBondContact O-N 2.99Å; Y863-L867 VanDerWaalsContact O-CB 3.29Å; Y863-L867 WeakPolarHBondContact O-CB 3.48Å; Y863-L867 PolarHBondContact O-N 3.22Å |
| 864 | R | 87.5 | Confident | 85.2 | Confident | 151 Ų | 151 | 100.7 Ų | 100.7 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 174.8 | -76.5 | 171.6 | 173 | 167.3 | -3 | 111.9 | I860 D861 D862 L867 N868 | I860-R864 WeakPolarHBondContact O-CG 3.42Å; I860-R864 PolarHBondContact O-N 3.38Å; D861-R864 PolarHBondContact O-N 3.46Å; D861-R864 IonicContact OD1-CZ 3.98Å; D861-R864 IonicContact OD1-NH1 3.02Å; D861-R864 PolarHBondContact OD1-NH1 3.28Å; D862-R864 VanDerWaalsContact C-N 3.32Å; D862-R864 PolarHBondContact O-N 3.38Å; R864-L867 PolarHBondContact O-N 2.92Å; R864-N868 WeakPolarHBondContact O-CB 3.44Å; R864-N868 PolarHBondContact O-N 2.84Å; R864-N868 PolarHBondContact O-ND2 3.47Å |
| 865 | N | 85.2 | Confident | 84.9 | Confident | 91 Ų | 91 | 99.4 Ų | 99.4 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 175.8 | -74.9 | -29.2 | 0 | 0 | 0 | 111.6 | D861 D862 L867 N868 Q869 | D861-N865 PolarHBondContact O-N 3.42Å; D861-N865 PolarHBondContact O-ND2 3.14Å; D862-N865 PolarHBondContact O-N 3Å; N865-L867 VanDerWaalsContact C-N 3.29Å; N865-L867 PolarHBondContact O-N 2.79Å; N865-N868 PolarHBondContact O-N 2.95Å; N865-Q869 WeakPolarHBondContact O-CG 3.47Å; N865-Q869 PolarHBondContact O-N 2.96Å |
| 866 | Q | 86.2 | Confident | 84.6 | Confident | 93 Ų | 93 | 99.1 Ų | 99.1 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 173.8 | -68.5 | 175.8 | 25.3 | 0 | 0 | 111.3 | D862 Y863 Q869 A870 | D862-Q866 WeakPolarHBondContact O-CG 3.43Å; D862-Q866 PolarHBondContact O-N 3.02Å; D862-Q866 PolarHBondContact OD2-NE2 3.32Å; Y863-Q866 PolarHBondContact O-N 2.99Å; Q866-Q869 PolarHBondContact O-N 3.17Å; Q866-A870 WeakPolarHBondContact O-CB 3.36Å; Q866-A870 PolarHBondContact O-N 3.49Å |
| 867 | L | 86.8 | Confident | 84.2 | Confident | 113 Ų | 113 | 99.6 Ų | 99.6 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.3 | -40.2 | 178.2 | -160.9 | 136.8 | 0 | 0 | 0 | 111.9 | Y863 R864 N865 A870 Q871 | Y863-L867 VanDerWaalsContact O-CB 3.29Å; Y863-L867 WeakPolarHBondContact O-CB 3.48Å; Y863-L867 PolarHBondContact O-N 3.22Å; R864-L867 PolarHBondContact O-N 2.92Å; N865-L867 VanDerWaalsContact C-N 3.29Å; N865-L867 PolarHBondContact O-N 2.79Å; L867-A870 PolarHBondContact O-N 2.95Å; L867-Q871 VanDerWaalsContact O-CB 3.31Å; L867-Q871 WeakPolarHBondContact O-CB 3.47Å; L867-Q871 PolarHBondContact O-N 3.37Å |
| 868 | N | 84.5 | Confident | 83.8 | Confident | 81 Ų | 81 | 98.7 Ų | 98.7 | 43% | 0.433 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 172.4 | -75.9 | -25.4 | 0 | 0 | 0 | 111.9 | R864 N865 Q871 N872 | R864-N868 WeakPolarHBondContact O-CB 3.44Å; R864-N868 PolarHBondContact O-N 2.84Å; R864-N868 PolarHBondContact O-ND2 3.47Å; N865-N868 PolarHBondContact O-N 2.95Å; N868-Q871 PolarHBondContact O-N 2.72Å; N868-N872 WeakPolarHBondContact O-CB 3.47Å; N868-N872 VanDerWaalsContact O-CG 3.26Å; N868-N872 PolarHBondContact O-N 2.89Å; N868-N872 PolarHBondContact O-ND2 3.02Å |
| 869 | Q | 83.6 | Confident | 83.4 | Confident | 126 Ų | 126 | 95.2 Ų | 95.2 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.2 | -45.4 | 173.9 | -74.4 | 178.5 | 7 | 0 | 0 | 111.5 | N865 Q866 Q871 N872 Q873 | N865-Q869 WeakPolarHBondContact O-CG 3.47Å; N865-Q869 PolarHBondContact O-N 2.96Å; Q866-Q869 PolarHBondContact O-N 3.17Å; Q869-Q871 VanDerWaalsContact C-N 3.31Å; Q869-Q871 PolarHBondContact O-N 2.93Å; Q869-N872 PolarHBondContact O-N 3.22Å; Q869-Q873 WeakPolarHBondContact O-CG 3.49Å; Q869-Q873 PolarHBondContact O-N 3.31Å |
| 870 | A | 81.9 | Confident | 83 | Confident | 41 Ų | 41 | 97.6 Ų | 97.6 | 34% | 0.339 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q866 L867 Q873 I874 | Q866-A870 WeakPolarHBondContact O-CB 3.36Å; Q866-A870 PolarHBondContact O-N 3.49Å; L867-A870 PolarHBondContact O-N 2.95Å; A870-Q873 WeakPolarHBondContact O-CB 3.35Å; A870-Q873 PolarHBondContact O-N 3.46Å; A870-I874 VanDerWaalsContact O-CG1 3.3Å; A870-I874 WeakPolarHBondContact O-CG1 3.28Å; A870-I874 PolarHBondContact O-N 3.35Å |
| 871 | Q | 85.3 | Confident | 82.6 | Confident | 102 Ų | 102 | 98.8 Ų | 98.8 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 177.1 | -166.1 | 172.8 | -4.8 | 0 | 0 | 112.1 | L867 N868 Q869 I874 Q875 | L867-Q871 VanDerWaalsContact O-CB 3.31Å; L867-Q871 WeakPolarHBondContact O-CB 3.47Å; L867-Q871 PolarHBondContact O-N 3.37Å; N868-Q871 PolarHBondContact O-N 2.72Å; Q869-Q871 VanDerWaalsContact C-N 3.31Å; Q869-Q871 PolarHBondContact O-N 2.93Å; Q871-I874 PolarHBondContact O-N 3.07Å; Q871-Q875 PolarHBondContact O-N 2.95Å |
| 872 | N | 84 | Confident | 82.1 | Confident | 102 Ų | 102 | 99.5 Ų | 99.5 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 172.8 | -73.2 | -23 | 0 | 0 | 0 | 111.9 | N868 Q869 Q875 A876 | N868-N872 WeakPolarHBondContact O-CB 3.47Å; N868-N872 VanDerWaalsContact O-CG 3.26Å; N868-N872 PolarHBondContact O-N 2.89Å; N868-N872 PolarHBondContact O-ND2 3.02Å; Q869-N872 PolarHBondContact O-N 3.22Å; N872-Q875 PolarHBondContact O-N 2.76Å; N872-A876 WeakPolarHBondContact O-CB 3.44Å; N872-A876 PolarHBondContact O-N 3.22Å |
| 873 | Q | 82.2 | Confident | 81.7 | Confident | 132 Ų | 132 | 102.3 Ų | 102.3 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 173.3 | -74.7 | -180 | -1.8 | 0 | 0 | 111.7 | Q869 A870 Q875 A876 Q877 | Q869-Q873 WeakPolarHBondContact O-CG 3.49Å; Q869-Q873 PolarHBondContact O-N 3.31Å; A870-Q873 WeakPolarHBondContact O-CB 3.35Å; A870-Q873 PolarHBondContact O-N 3.46Å; Q873-Q875 VanDerWaalsContact C-N 3.34Å; Q873-Q875 PolarHBondContact O-N 3.37Å; Q873-A876 PolarHBondContact O-N 3.15Å; Q873-Q877 WeakPolarHBondContact O-CG 3.35Å; Q873-Q877 PolarHBondContact O-N 3.42Å |
| 874 | I | 80.2 | Confident | 81.2 | Confident | 101 Ų | 101 | 101.2 Ų | 101.2 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 174.7 | -69.8 | 166.9 | 0 | 0 | 0 | 110.3 | A870 Q871 Q877 T878 | A870-I874 VanDerWaalsContact O-CG1 3.3Å; A870-I874 WeakPolarHBondContact O-CG1 3.28Å; A870-I874 PolarHBondContact O-N 3.35Å; Q871-I874 PolarHBondContact O-N 3.07Å; I874-Q877 PolarHBondContact O-N 2.88Å; I874-T878 VanDerWaalsContact O-CB 3.3Å; I874-T878 WeakPolarHBondContact O-CB 3.4Å; I874-T878 PolarHBondContact O-N 3.01Å; I874-T878 PolarHBondContact O-OG1 3.36Å |
| 875 | Q | 79.7 | Confident | 80.5 | Confident | 126 Ų | 126 | 96.2 Ų | 96.2 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | 174.5 | -89.2 | -172.8 | -7.7 | 0 | 0 | 112.3 | Q871 N872 Q873 T878 A879 | Q871-Q875 PolarHBondContact O-N 2.95Å; N872-Q875 PolarHBondContact O-N 2.76Å; Q873-Q875 VanDerWaalsContact C-N 3.34Å; Q873-Q875 PolarHBondContact O-N 3.37Å; Q875-T878 PolarHBondContact O-N 3.25Å; Q875-A879 WeakPolarHBondContact O-CB 3.19Å; Q875-A879 PolarHBondContact O-N 3.34Å |
| 876 | A | 78.6 | Confident | 79.6 | Confident | 62 Ų | 62 | 98 Ų | 98 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N872 Q873 A879 Q880 | N872-A876 WeakPolarHBondContact O-CB 3.44Å; N872-A876 PolarHBondContact O-N 3.22Å; Q873-A876 PolarHBondContact O-N 3.15Å; A876-A879 PolarHBondContact O-N 3.34Å; A876-Q880 PolarHBondContact O-N 3.09Å |
| 877 | Q | 79.7 | Confident | 78.8 | Confident | 117 Ų | 117 | 98 Ų | 98 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 173.4 | -73.3 | -175.2 | -8.5 | 0 | 0 | 111.8 | Q873 I874 A879 Q880 I881 | Q873-Q877 WeakPolarHBondContact O-CG 3.35Å; Q873-Q877 PolarHBondContact O-N 3.42Å; I874-Q877 PolarHBondContact O-N 2.88Å; Q877-A879 VanDerWaalsContact C-N 3.32Å; Q877-A879 PolarHBondContact O-N 2.93Å; Q877-Q880 CarbonylContact O-C 3.59Å; Q877-Q880 WeakPolarHBondContact O-CA 3.42Å; Q877-Q880 WeakPolarHBondContact O-CB 3.38Å; Q877-Q880 PolarHBondContact O-N 3.41Å; Q877-Q880 VanDerWaalsContact O-N 3.15Å; Q877-I881 VanDerWaalsContact O-CG1 3.3Å; Q877-I881 WeakPolarHBondContact O-CG1 3.26Å; Q877-I881 PolarHBondContact O-N 2.73Å |
| 878 | T | 79.6 | Confident | 77.7 | Confident | 62 Ų | 62 | 95.8 Ų | 95.8 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 175.8 | -56.1 | 0 | 0 | 0 | 0 | 111 | I874 Q875 I881 N882 | I874-T878 VanDerWaalsContact O-CB 3.3Å; I874-T878 WeakPolarHBondContact O-CB 3.4Å; I874-T878 PolarHBondContact O-N 3.01Å; I874-T878 PolarHBondContact O-OG1 3.36Å; Q875-T878 PolarHBondContact O-N 3.25Å; T878-I881 PolarHBondContact O-N 2.9Å; T878-N882 WeakPolarHBondContact O-CB 3.47Å; T878-N882 PolarHBondContact O-N 3.46Å; T878-N882 PolarHBondContact O-ND2 3.19Å |
| 879 | A | 76.6 | Confident | 76.5 | Confident | 53 Ų | 53 | 99.7 Ų | 99.7 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q875 A876 Q877 N882 K883 | Q875-A879 WeakPolarHBondContact O-CB 3.19Å; Q875-A879 PolarHBondContact O-N 3.34Å; A876-A879 PolarHBondContact O-N 3.34Å; Q877-A879 VanDerWaalsContact C-N 3.32Å; Q877-A879 PolarHBondContact O-N 2.93Å; A879-N882 PolarHBondContact O-N 3.18Å; A879-K883 PolarHBondContact O-N 2.98Å |
| 880 | Q | 77.4 | Confident | 75.3 | Confident | 116 Ų | 116 | 99.4 Ų | 99.4 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 171 | -113 | 177.8 | -7.6 | 0 | 0 | 111.8 | A876 Q877 N882 K883 F884 | A876-Q880 PolarHBondContact O-N 3.09Å; Q877-Q880 CarbonylContact O-C 3.59Å; Q877-Q880 WeakPolarHBondContact O-CA 3.42Å; Q877-Q880 WeakPolarHBondContact O-CB 3.38Å; Q877-Q880 PolarHBondContact O-N 3.41Å; Q877-Q880 VanDerWaalsContact O-N 3.15Å; Q880-N882 VanDerWaalsContact C-N 3.28Å; Q880-N882 PolarHBondContact O-N 2.88Å; Q880-K883 WeakPolarHBondContact O-CB 3.34Å; Q880-K883 PolarHBondContact O-N 2.91Å; Q880-K883 VanDerWaalsContact O-N 3.1Å; Q880-F884 WeakPolarHBondContact O-CD2 3.43Å; Q880-F884 PolarHBondContact O-N 3.46Å |
| 881 | I | 77.1 | Confident | 74.2 | Confident | 95 Ų | 95 | 102 Ų | 102 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 175.2 | -69.3 | 166.2 | 0 | 0 | 0 | 110.1 | Q877 T878 K883 F884 T885 | Q877-I881 VanDerWaalsContact O-CG1 3.3Å; Q877-I881 WeakPolarHBondContact O-CG1 3.26Å; Q877-I881 PolarHBondContact O-N 2.73Å; T878-I881 PolarHBondContact O-N 2.9Å; I881-K883 VanDerWaalsContact C-N 3.35Å; I881-K883 PolarHBondContact O-N 3.46Å; I881-F884 CarbonylContact O-C 3.58Å; I881-F884 PolarHBondContact O-N 3.46Å; I881-T885 VanDerWaalsContact O-CB 3.27Å; I881-T885 WeakPolarHBondContact O-CB 3.41Å; I881-T885 PolarHBondContact O-N 3.08Å; I881-T885 PolarHBondContact O-OG1 3.37Å |
| 882 | N | 75.3 | Confident | 72.6 | Confident | 92 Ų | 92 | 101.6 Ų | 101.6 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 175.3 | -80.3 | -23.2 | 0 | 0 | 0 | 112.3 | T878 A879 Q880 T885 Q886 | T878-N882 WeakPolarHBondContact O-CB 3.47Å; T878-N882 PolarHBondContact O-N 3.46Å; T878-N882 PolarHBondContact O-ND2 3.19Å; A879-N882 PolarHBondContact O-N 3.18Å; Q880-N882 VanDerWaalsContact C-N 3.28Å; Q880-N882 PolarHBondContact O-N 2.88Å; N882-T885 PolarHBondContact O-N 3.48Å; N882-Q886 WeakPolarHBondContact O-CB 3.33Å; N882-Q886 WeakPolarHBondContact O-CG 3.43Å; N882-Q886 PolarHBondContact O-N 2.94Å |
| 883 | K | 76.4 | Confident | 71 | Confident | 144 Ų | 144 | 103.3 Ų | 103.3 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -45.6 | 170.3 | -74 | -178.5 | 178.7 | -178.4 | 0 | 111.3 | A879 Q880 I881 T885 Q886 I887 | A879-K883 PolarHBondContact O-N 2.98Å; Q880-K883 WeakPolarHBondContact O-CB 3.34Å; Q880-K883 PolarHBondContact O-N 2.91Å; Q880-K883 VanDerWaalsContact O-N 3.1Å; I881-K883 VanDerWaalsContact C-N 3.35Å; I881-K883 PolarHBondContact O-N 3.46Å; K883-T885 VanDerWaalsContact C-N 3.31Å; K883-T885 PolarHBondContact O-N 2.97Å; K883-Q886 PolarHBondContact O-N 3.46Å; K883-I887 WeakPolarHBondContact O-CG1 3.46Å; K883-I887 PolarHBondContact O-N 3.26Å |
| 884 | F | 76.4 | Confident | 69.4 | Low | 125 Ų | 125 | 104 Ų | 104 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.4 | -72.6 | -62.7 | 0 | 0 | 0 | 111.5 | Q880 I881 Q886 I887 T888 | Q880-F884 WeakPolarHBondContact O-CD2 3.43Å; Q880-F884 PolarHBondContact O-N 3.46Å; I881-F884 CarbonylContact O-C 3.58Å; I881-F884 PolarHBondContact O-N 3.46Å; F884-Q886 PolarHBondContact O-N 3.49Å; F884-I887 CarbonylContact O-C 3.17Å; F884-I887 WeakPolarHBondContact O-CB 3.37Å; F884-I887 PolarHBondContact O-N 3.4Å; F884-T888 WeakPolarHBondContact O-CB 3.19Å; F884-T888 PolarHBondContact O-N 2.52Å; F884-T888 PolarHBondContact O-OG1 3.3Å |
| 885 | T | 72.7 | Confident | 67.7 | Low | 47 Ų | 47 | 103.1 Ų | 103.1 | 29% | 0.288 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.1 | -33.5 | 178.2 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | I881 N882 K883 T888 R889 | I881-T885 VanDerWaalsContact O-CB 3.27Å; I881-T885 WeakPolarHBondContact O-CB 3.41Å; I881-T885 PolarHBondContact O-N 3.08Å; I881-T885 PolarHBondContact O-OG1 3.37Å; N882-T885 PolarHBondContact O-N 3.48Å; K883-T885 VanDerWaalsContact C-N 3.31Å; K883-T885 PolarHBondContact O-N 2.97Å; T885-T888 CarbonylContact O-C 3.39Å; T885-T888 PolarHBondContact O-N 3.1Å; T885-R889 VanDerWaalsContact O-CB 3.27Å; T885-R889 WeakPolarHBondContact O-CB 2.97Å; T885-R889 VanDerWaalsContact O-CG 3.3Å; T885-R889 WeakPolarHBondContact O-CG 3.48Å; T885-R889 PolarHBondContact O-N 3.29Å |
| 886 | Q | 67.2 | Low | 65.6 | Low | 127 Ų | 127 | 103.6 Ų | 103.6 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67 | -41.4 | 169.9 | -85.2 | -177.9 | -8.5 | 0 | 0 | 111.6 | N882 K883 F884 R889 L890 | N882-Q886 WeakPolarHBondContact O-CB 3.33Å; N882-Q886 WeakPolarHBondContact O-CG 3.43Å; N882-Q886 PolarHBondContact O-N 2.94Å; K883-Q886 PolarHBondContact O-N 3.46Å; F884-Q886 PolarHBondContact O-N 3.49Å; Q886-R889 PolarHBondContact O-N 2.97Å; Q886-L890 WeakPolarHBondContact O-CB 3.24Å; Q886-L890 PolarHBondContact O-N 2.72Å |
| 887 | I | 70.4 | Confident | 63.4 | Low | 93 Ų | 93 | 107.9 Ų | 107.9 | 48% | 0.477 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.4 | -45.5 | 172.5 | -66.8 | 165.2 | 0 | 0 | 0 | 109.9 | K883 F884 R889 L890 I891 | K883-I887 WeakPolarHBondContact O-CG1 3.46Å; K883-I887 PolarHBondContact O-N 3.26Å; F884-I887 CarbonylContact O-C 3.17Å; F884-I887 WeakPolarHBondContact O-CB 3.37Å; F884-I887 PolarHBondContact O-N 3.4Å; I887-R889 PolarHBondContact O-N 3.27Å; I887-L890 WeakPolarHBondContact O-CB 3.28Å; I887-L890 PolarHBondContact O-N 3.3Å; I887-I891 HydrophobicContact CG2-CD1 3.88Å; I887-I891 VanDerWaalsContact O-CG1 3.24Å; I887-I891 WeakPolarHBondContact O-CG1 3.31Å; I887-I891 PolarHBondContact O-N 3.13Å |
| 888 | T | 63.1 | Low | 61.6 | Low | 68 Ų | 68 | 107.3 Ų | 107.3 | 42% | 0.417 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.5 | -34.5 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | F884 T885 I891 N892 | F884-T888 WeakPolarHBondContact O-CB 3.19Å; F884-T888 PolarHBondContact O-N 2.52Å; F884-T888 PolarHBondContact O-OG1 3.3Å; T885-T888 CarbonylContact O-C 3.39Å; T885-T888 PolarHBondContact O-N 3.1Å; T888-I891 PolarHBondContact O-N 3.31Å; T888-N892 VanDerWaalsContact O-CB 3.28Å; T888-N892 WeakPolarHBondContact O-CB 3.38Å; T888-N892 VanDerWaalsContact O-CG 3.31Å; T888-N892 PolarHBondContact O-N 3.29Å |
| 889 | R | 58.1 | Low | 59.3 | Low | 162 Ų | 162 | 109.8 Ų | 109.8 | 61% | 0.611 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.5 | -41.3 | 171.6 | -82 | -179.3 | -174.5 | 161.9 | 3 | 111.1 | T885 Q886 I887 I891 N892 D893 | T885-R889 VanDerWaalsContact O-CB 3.27Å; T885-R889 WeakPolarHBondContact O-CB 2.97Å; T885-R889 VanDerWaalsContact O-CG 3.3Å; T885-R889 WeakPolarHBondContact O-CG 3.48Å; T885-R889 PolarHBondContact O-N 3.29Å; Q886-R889 PolarHBondContact O-N 2.97Å; I887-R889 PolarHBondContact O-N 3.27Å; R889-I891 VanDerWaalsContact C-N 3.25Å; R889-I891 PolarHBondContact O-N 3.02Å; R889-N892 PolarHBondContact O-N 2.66Å; R889-D893 VanDerWaalsContact O-CB 3.23Å; R889-D893 WeakPolarHBondContact O-CB 3.23Å; R889-D893 PolarHBondContact O-N 2.94Å |
| 890 | L | 59.5 | Low | 57.2 | Low | 121 Ų | 121 | 111.7 Ų | 111.7 | 63% | 0.634 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.1 | -35.1 | 171.6 | -109.4 | 134.3 | 0 | 0 | 0 | 112.4 | Q886 I887 | Q886-L890 WeakPolarHBondContact O-CB 3.24Å; Q886-L890 PolarHBondContact O-N 2.72Å; I887-L890 WeakPolarHBondContact O-CB 3.28Å; I887-L890 PolarHBondContact O-N 3.3Å |
| 891 | I | 57.7 | Low | 55 | Low | 96 Ų | 96 | 114.2 Ų | 114.2 | 49% | 0.492 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.8 | -45.6 | 173.6 | -68.6 | 165.8 | 0 | 0 | 0 | 110.6 | I887 T888 R889 L894 T895 | I887-I891 HydrophobicContact CG2-CD1 3.88Å; I887-I891 VanDerWaalsContact O-CG1 3.24Å; I887-I891 WeakPolarHBondContact O-CG1 3.31Å; I887-I891 PolarHBondContact O-N 3.13Å; T888-I891 PolarHBondContact O-N 3.31Å; R889-I891 VanDerWaalsContact C-N 3.25Å; R889-I891 PolarHBondContact O-N 3.02Å; I891-L894 WeakPolarHBondContact O-CB 3.38Å; I891-L894 PolarHBondContact O-N 3.27Å; I891-T895 PolarHBondContact O-N 3.11Å; I891-T895 PolarHBondContact O-OG1 3.31Å |
| 892 | N | 53 | Low | 53 | Low | 93 Ų | 93 | 117 Ų | 117 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.9 | -28.9 | -178.7 | -77.3 | -6.4 | 0 | 0 | 0 | 113.2 | T888 R889 L894 T895 | T888-N892 VanDerWaalsContact O-CB 3.28Å; T888-N892 WeakPolarHBondContact O-CB 3.38Å; T888-N892 VanDerWaalsContact O-CG 3.31Å; T888-N892 PolarHBondContact O-N 3.29Å; R889-N892 PolarHBondContact O-N 2.66Å; N892-L894 PolarHBondContact O-N 3.34Å; N892-T895 CarbonylContact O-C 3.59Å; N892-T895 PolarHBondContact O-N 3.16Å |
| 893 | D | 51 | Low | 51.1 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -18.7 | 172.5 | -72.5 | -19 | 0 | 0 | 0 | 111.4 | R889 | R889-D893 VanDerWaalsContact O-CB 3.23Å; R889-D893 WeakPolarHBondContact O-CB 3.23Å; R889-D893 PolarHBondContact O-N 2.94Å |
| 894 | L | 47.5 | Very low | 49 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 76% | 0.764 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -8.8 | 169.7 | -69.7 | 167.4 | 0 | 0 | 0 | 113.1 | I891 N892 | I891-L894 WeakPolarHBondContact O-CB 3.38Å; I891-L894 PolarHBondContact O-N 3.27Å; N892-L894 PolarHBondContact O-N 3.34Å |
| 895 | T | 43.9 | Very low | 46.9 | Very low | 83 Ų | 83 | 116 Ų | 116 | 51% | 0.509 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -150.4 | 89.4 | -176.2 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | I891 N892 | I891-T895 PolarHBondContact O-N 3.11Å; I891-T895 PolarHBondContact O-OG1 3.31Å; N892-T895 CarbonylContact O-C 3.59Å; N892-T895 PolarHBondContact O-N 3.16Å |
| 896 | V | 35.6 | Very low | 44.9 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | trans | 50.9 | 106.6 | 148.4 | -172.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 897 | N | 32.8 | Very low | 43.3 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | 50.2 | 158.3 | 123.5 | -108.6 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 898 | P | 41.6 | Very low | 41.6 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | -120.9 | 173 | -120.9 | 36.5 | -17.4 | 0 | 0 | 0 | 114.4 | |||||
| 899 | S | 32.9 | Very low | 40.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | 160.3 | 146.3 | 136.9 | 43.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 900 | A | 32.1 | Very low | 38.8 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | 65.2 | 153.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 901 | E | 31.9 | Very low | 37.6 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | cis | -178.6 | 161.8 | -20.2 | -118 | 179.8 | -177.8 | 0 | 0 | 105.4 | ||||
| 902 | L | 33.6 | Very low | 36.5 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | 72.4 | 136.5 | 153 | -95.3 | 84.8 | 0 | 0 | 0 | 123.3 | ||||
| 903 | G | 35.1 | Very low | 35.7 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 171 | 95.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 904 | N | 32.2 | Very low | 35 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -73.9 | 159.1 | 179 | -71.1 | -32 | 0 | 0 | 0 | 115 | ||||
| 905 | S | 32.7 | Very low | 34.6 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | 142.1 | 126.3 | 119.4 | -59.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 906 | L | 31.5 | Very low | 34.3 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -157 | 113.3 | 155.9 | -115.8 | 139.1 | 0 | 0 | 0 | 109.8 | ||||
| 907 | I | 34.2 | Very low | 34.2 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -115.5 | 128 | 171.5 | -66.4 | 175.7 | 0 | 0 | 0 | 107.1 | ||||
| 908 | T | 33.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -86.5 | 150.8 | -179.8 | 25.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 909 | A | 32.2 | Very low | 34.2 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -74.7 | 149.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 910 | N | 30.9 | Very low | 34.3 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 95% | 0.952 | 80% | 0.797 | S | S | * | * | trans | -153.3 | 128.6 | 156.8 | -94.4 | -22.8 | 0 | 0 | 0 | 109.9 | ||||
| 911 | G | 34.9 | Very low | 34.5 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -178.1 | 102 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 912 | L | 34.4 | Very low | 34.7 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | 54.2 | 113.5 | 86.9 | -100.7 | 95.3 | 0 | 0 | 0 | 114.5 | |||||
| 913 | D | 35.8 | Very low | 34.6 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | -164.5 | 139.1 | 103.9 | -97.4 | -24.3 | 0 | 0 | 0 | 113.8 | |||||
| 914 | R | 35.2 | Very low | 34.5 | Very low | 234 Ų | 234 | 142.2 Ų | 142.2 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -89.6 | -168.8 | 180 | -118 | 179.4 | -179.2 | -175.3 | 0.1 | 109.8 | ||||
| 915 | P | 39.9 | Very low | 34.4 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | cis | -130.7 | -179 | -15.9 | 25.3 | 0.6 | 0 | 0 | 0 | 111.4 | ||||
| 916 | V | 36.3 | Very low | 34.4 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -176.8 | 140.2 | 72.3 | 170.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 917 | Q | 35.4 | Very low | 34.4 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -121.7 | 152 | 174.8 | -151.5 | -175.9 | 2.1 | 0 | 0 | 107.7 | ||||
| 918 | P | 39.4 | Very low | 34.4 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | -145.2 | 170.9 | 105.1 | 21.7 | 1.1 | 0 | 0 | 0 | 111.1 | |||||
| 919 | D | 35 | Very low | 34.4 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | cis | -158.1 | 155.7 | -3.4 | -99.2 | -30.2 | 0 | 0 | 0 | 106.8 | ||||
| 920 | P | 34.3 | Very low | 34.4 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -99.3 | 144.5 | -178.7 | 36.1 | -27.9 | 0 | 0 | 0 | 112.3 | ||||
| 921 | I | 37.2 | Very low | 34.4 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -123.1 | 115 | 160.5 | -62.6 | -179.7 | 0 | 0 | 0 | 109.4 | ||||
| 922 | T | 35.3 | Very low | 34.1 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -80.1 | 154.4 | -179 | -16.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 923 | S | 30.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -67.6 | 143.9 | 175 | 32.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 924 | Q | 33.7 | Very low | 33.6 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -146.3 | 113.9 | 154.8 | -84.5 | 179 | -21.9 | 0 | 0 | 105.2 | ||||
| 925 | S | 31.1 | Very low | 33.4 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | 71.5 | 132.2 | 63.5 | 78.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 926 | V | 32.4 | Very low | 33.1 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | 119.4 | 104.7 | 145 | -176.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 927 | C | 31.8 | Very low | 33 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | 51.1 | 139 | 125.7 | -46 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 928 | D | 33.5 | Very low | 33 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | -161.1 | 144.1 | 50.9 | -104.3 | -37 | 0 | 0 | 0 | 113.7 | |||||
| 929 | T | 33.1 | Very low | 32.8 | Very low | 136 Ų | 136 | 135 Ų | 135 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -67.4 | 146.2 | 157.1 | 45.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 930 | G | 32 | Very low | 33 | Very low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | 165.3 | 109.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 931 | R | 30.4 | Very low | 33.2 | Very low | 236 Ų | 236 | 134.2 Ų | 134.2 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | 73.7 | 123.1 | 140.4 | -77.5 | -175.2 | 161.1 | 150.3 | -4.8 | 120.1 | ||||
| 932 | V | 29.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | cis | 102 | 115.1 | 47.7 | 158.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 933 | T | 30.2 | Very low | 33.2 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 72.9 | 115.3 | 141.9 | 60.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 934 | S | 29 | Very low | 33.6 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | 76.8 | 133.1 | 105.4 | 90.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 935 | V | 31.2 | Very low | 34.1 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | 79.1 | 117 | 138.8 | -174.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 936 | S | 33.7 | Very low | 34.4 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | 163.1 | 120.1 | 98.4 | -150.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 937 | T | 34.1 | Very low | 34.5 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 53.3 | 125.4 | 131.2 | 62.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 938 | R | 35.1 | Very low | 34.7 | Very low | 224 Ų | 224 | 150.7 Ų | 150.7 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | 176.9 | 121.9 | 98.7 | -97.8 | 178.2 | -179.3 | -178 | 0.3 | 109.6 | |||||
| 939 | K | 36.2 | Very low | 34.7 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | 59.9 | 119.2 | 103.9 | -85.8 | -173.8 | 176.9 | -177.3 | 0 | 112 | |||||
| 940 | T | 38 | Very low | 34.8 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | -169.8 | 143.2 | 55.1 | 35.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 941 | T | 38.1 | Very low | 35 | Very low | 112 Ų | 112 | 156.1 Ų | 156.1 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | 73.6 | 116.3 | 135 | 56.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 942 | N | 36.6 | Very low | 35.3 | Very low | 144 Ų | 144 | 151.1 Ų | 151.1 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | 59.3 | 131.4 | 126.3 | -67.9 | -13.8 | 0 | 0 | 0 | 118.1 | |||||
| 943 | R | 37.8 | Very low | 35.6 | Very low | 234 Ų | 234 | 153.4 Ų | 153.4 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | cis | -163.1 | 144 | 27.4 | -122 | 168.2 | -178 | 174.1 | -1.4 | 108.2 | ||||
| 944 | N | 37.9 | Very low | 36 | Very low | 151 Ų | 151 | 156.2 Ų | 156.2 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -74.9 | -175.5 | 172.4 | -136.7 | 13.2 | 0 | 0 | 0 | 109.9 | ||||
| 945 | P | 43.4 | Very low | 36.6 | Very low | 92 Ų | 92 | 160.8 Ų | 160.8 | 60% | 0.597 | 80% | 0.795 | S | S | * | * | -136.6 | -168.2 | -73.5 | 36.9 | -16.7 | 0 | 0 | 0 | 112.8 | |||||
| 946 | R | 38.8 | Very low | 37 | Very low | 231 Ų | 231 | 163.5 Ų | 163.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 79.9 | 88 | 163.5 | -64.4 | 176.5 | 178.3 | 176.3 | -1.5 | 116.6 | ||||
| 947 | H | 34.3 | Very low | 37.3 | Very low | 265 Ų | 265 | 170.2 Ų | 170.2 | 100% | 1.227 | 81% | 0.811 | S | S | * | * | -141 | 0 | 94.3 | -107 | -68.6 | 0 | 0 | 0 | 109.5 |
Retrieved 947 of 947 residues in 1746.8 ms
(Link to these results)