| 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 | 82.2 | Confident | 90 | Very high | 147 Ų | 147 | 70.6 Ų | 70.6 | 72% | 0.724 | 37% | 0.371 | S | S | * | . | 0 | 140.8 | 0 | 176.9 | -178.7 | 174.2 | 0 | 0 | 107.9 | V138 L145 | M1-V138 PolarHBondContact O-N 3.39Å; M1-L145 HydrophobicContact SD-CD2 4.19Å | |||
| 2 | K | 89 | Confident | 90 | Very high | 132 Ų | 132 | 68.8 Ų | 68.8 | 57% | 0.574 | 36% | 0.358 | S | S | * | . | B | Isolated β-bridge | trans | -111.2 | 124.9 | 170.6 | -70.5 | -165.7 | 170.7 | -144 | 0 | 109.3 | D135 G136 | K2-D135 WeakPolarHBondContact CE-OD2 3.24Å; K2-D135 IonicContact NZ-OD2 3.14Å; K2-D135 PolarHBondContact NZ-OD2 3.42Å; K2-G136 CarbonylContact C-O 3.6Å; K2-G136 VanDerWaalsContact CA-O 3.25Å; K2-G136 WeakPolarHBondContact CA-O 3.37Å |
| 3 | L | 90.3 | Very high | 90.2 | Very high | 21 Ų | 21 | 66.8 Ų | 66.8 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | trans | -77.6 | 130 | 173 | -175.1 | 65.9 | 0 | 0 | 0 | 109.2 | F8 L40 L41 L132 G136 | L3-F8 HydrophobicContact CD2-CB 3.92Å; L3-F8 HydrophobicContact CD2-CD2 4.26Å; L3-F8 HydrophobicContact CD2-CG 4.09Å; L3-F8 HydrophobicContact CG-CB 4.17Å; L3-F8 HydrophobicContact CG-CG 4.32Å; L3-F8 WeakPolarHBondContact O-CD1 3.26Å; L3-F8 WeakPolarHBondContact O-CE1 3.31Å; L3-L40 HydrophobicContact CD2-CB 3.8Å; L3-L40 HydrophobicContact CD2-CD1 4.46Å; L3-L41 HydrophobicContact CD1-CD2 4.37Å; L3-L132 HydrophobicContact CB-CD1 4.16Å; L3-L132 HydrophobicContact CD2-CD2 3.97Å; L3-G136 PolarHBondContact N-O 3.14Å | ||
| 4 | D | 91.6 | Very high | 90.4 | Very high | 130 Ų | 130 | 66.8 Ų | 66.8 | 70% | 0.695 | 37% | 0.365 | S | S | * | . | trans | -142.4 | 87.4 | 179.1 | -173.1 | 11.8 | 0 | 0 | 0 | 107.6 | H9 | D4-H9 IonicContact OD1-CD2 3.5Å; D4-H9 IonicContact OD1-CE1 3.62Å; D4-H9 IonicContact OD1-NE2 2.77Å; D4-H9 PolarHBondContact OD1-NE2 3.15Å | ||
| 5 | S | 91.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 65 Ų | 65 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | trans | -138.4 | 156.2 | -176.4 | 91.5 | 0 | 0 | 0 | 0 | 111.6 | E7 F8 H9 | S5-E7 VanDerWaalsContact CB-OE2 3.29Å; S5-E7 WeakPolarHBondContact CB-OE2 3.4Å; S5-E7 PolarHBondContact O-N 3.08Å; S5-E7 PolarHBondContact OG-N 3.33Å; S5-E7 PolarHBondContact OG-OE2 2.78Å; S5-F8 WeakPolarHBondContact O-CB 3.47Å; S5-F8 PolarHBondContact O-N 3.4Å; S5-F8 VanDerWaalsContact O-N 3.09Å; S5-F8 PolarHBondContact OG-N 3.34Å; S5-H9 PolarHBondContact O-CD2 3.32Å; S5-H9 PolarHBondContact O-N 2.84Å | ||
| 6 | P | 91 | Very high | 91 | Very high | 98 Ų | 98 | 60.9 Ų | 60.9 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56 | -38.1 | 175.9 | -25.2 | 35.1 | 0 | 0 | 0 | 113.1 | F8 H9 S10 | P6-F8 VanDerWaalsContact C-N 3.32Å; P6-H9 PolarHBondContact O-N 3.36Å; P6-S10 WeakPolarHBondContact O-CB 3.48Å; P6-S10 PolarHBondContact O-N 2.94Å |
| 7 | E | 92.1 | Very high | 91.2 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.2 | -32.6 | 178.4 | -54.8 | 71.3 | -153.5 | 0 | 0 | 111.7 | S5 S10 L40 Q45 | S5-E7 VanDerWaalsContact CB-OE2 3.29Å; S5-E7 WeakPolarHBondContact CB-OE2 3.4Å; S5-E7 PolarHBondContact O-N 3.08Å; S5-E7 PolarHBondContact OG-N 3.33Å; S5-E7 PolarHBondContact OG-OE2 2.78Å; E7-S10 PolarHBondContact O-OG 2.97Å; E7-L40 HydrophobicContact CB-CD2 3.97Å; E7-L40 WeakPolarHBondContact O-CD2 3.42Å; E7-Q45 PolarHBondContact O-OE1 3.46Å |
| 8 | F | 91.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.6 | -47.2 | 173.6 | 176.9 | -124.8 | 0 | 0 | 0 | 111.2 | L3 S5 P6 S10 L11 F12 I32 L40 L132 | L3-F8 HydrophobicContact CD2-CB 3.92Å; L3-F8 HydrophobicContact CD2-CD2 4.26Å; L3-F8 HydrophobicContact CD2-CG 4.09Å; L3-F8 HydrophobicContact CG-CB 4.17Å; L3-F8 HydrophobicContact CG-CG 4.32Å; L3-F8 WeakPolarHBondContact O-CD1 3.26Å; L3-F8 WeakPolarHBondContact O-CE1 3.31Å; S5-F8 WeakPolarHBondContact O-CB 3.47Å; S5-F8 PolarHBondContact O-N 3.4Å; S5-F8 VanDerWaalsContact O-N 3.09Å; S5-F8 PolarHBondContact OG-N 3.34Å; P6-F8 VanDerWaalsContact C-N 3.32Å; F8-S10 VanDerWaalsContact C-N 3.27Å; F8-S10 PolarHBondContact O-N 2.94Å; F8-L11 WeakPolarHBondContact O-CB 3.41Å; F8-L11 PolarHBondContact O-N 3.3Å; F8-F12 AromaticContact CD1-CE2 3.97Å; F8-F12 HydrophobicContact CD1-CE2 3.97Å; F8-F12 AromaticContact CD2-CE2 3.9Å; F8-F12 HydrophobicContact CD2-CE2 3.9Å; F8-F12 HydrophobicContact CD2-CZ 4.33Å; F8-F12 AromaticContact CE1-CE2 3.7Å; F8-F12 HydrophobicContact CE1-CE2 3.7Å; F8-F12 AromaticContact CE1-CZ 3.83Å; F8-F12 HydrophobicContact CE1-CZ 3.83Å; F8-F12 AromaticContact CE2-CE2 3.63Å; F8-F12 HydrophobicContact CE2-CE2 3.63Å; F8-F12 AromaticContact CE2-CZ 3.59Å; F8-F12 HydrophobicContact CE2-CZ 3.59Å; F8-F12 HydrophobicContact CG-CE2 4.09Å; F8-F12 AromaticContact CZ-CE2 3.55Å; F8-F12 HydrophobicContact CZ-CE2 3.55Å; F8-F12 AromaticContact CZ-CZ 3.32Å; F8-F12 HydrophobicContact CZ-CZ 3.32Å; F8-F12 VanDerWaalsContact O-CD2 3.24Å; F8-F12 WeakPolarHBondContact O-CD2 3.32Å; F8-F12 VanDerWaalsContact O-CE2 3.27Å; F8-F12 WeakPolarHBondContact O-CE2 3.5Å; F8-I32 HydrophobicContact CE2-CD1 4.48Å; F8-L40 HydrophobicContact CB-CD2 4.37Å; F8-L40 HydrophobicContact CD2-CD1 4.21Å; F8-L132 HydrophobicContact CD2-CD2 3.67Å; F8-L132 HydrophobicContact CE2-CD2 3.48Å; F8-L132 VanDerWaalsContact CE2-CD2 3.48Å; F8-L132 HydrophobicContact CE2-CG 3.98Å; F8-L132 HydrophobicContact CZ-CD2 4.39Å |
| 9 | H | 90.8 | Very high | 91.7 | Very high | 104 Ų | 104 | 58.5 Ų | 58.5 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -32.9 | 179.3 | -72.4 | -55.8 | 0 | 0 | 0 | 113.2 | D4 S5 P6 L11 F12 | D4-H9 IonicContact OD1-CD2 3.5Å; D4-H9 IonicContact OD1-CE1 3.62Å; D4-H9 IonicContact OD1-NE2 2.77Å; D4-H9 PolarHBondContact OD1-NE2 3.15Å; S5-H9 PolarHBondContact O-CD2 3.32Å; S5-H9 PolarHBondContact O-N 2.84Å; P6-H9 PolarHBondContact O-N 3.36Å; H9-L11 PolarHBondContact O-N 3.07Å; H9-F12 PolarHBondContact O-N 3.09Å |
| 10 | S | 90.9 | Very high | 91.9 | Very high | 59 Ų | 59 | 58.4 Ų | 58.4 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.8 | 178.6 | 74.5 | 0 | 0 | 0 | 0 | 113.4 | P6 E7 F8 F12 Q45 | P6-S10 WeakPolarHBondContact O-CB 3.48Å; P6-S10 PolarHBondContact O-N 2.94Å; E7-S10 PolarHBondContact O-OG 2.97Å; F8-S10 VanDerWaalsContact C-N 3.27Å; F8-S10 PolarHBondContact O-N 2.94Å; S10-F12 VanDerWaalsContact C-N 3.33Å; S10-Q45 PolarHBondContact OG-NE2 3.33Å; S10-Q45 PolarHBondContact OG-OE1 2.87Å |
| 11 | L | 89.1 | Confident | 92.1 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -23.8 | 177.5 | -58.6 | -175.9 | 0 | 0 | 0 | 113.1 | F8 H9 T13 L16 I32 L40 P46 I49 | F8-L11 WeakPolarHBondContact O-CB 3.41Å; F8-L11 PolarHBondContact O-N 3.3Å; H9-L11 PolarHBondContact O-N 3.07Å; L11-T13 PolarHBondContact O-N 3.49Å; L11-L16 HydrophobicContact CB-CD2 4.25Å; L11-L16 WeakPolarHBondContact O-CD2 3.35Å; L11-I32 HydrophobicContact CD1-CD1 4.06Å; L11-L40 HydrophobicContact CD1-CD1 3.56Å; L11-L40 HydrophobicContact CD1-CD2 3.88Å; L11-L40 HydrophobicContact CD1-CG 4.15Å; L11-L40 HydrophobicContact CG-CD2 4.39Å; L11-P46 HydrophobicContact CD1-CG 4.18Å; L11-P46 HydrophobicContact CD2-CG 3.65Å; L11-I49 HydrophobicContact CB-CD1 4.16Å; L11-I49 HydrophobicContact CD1-CD1 4.27Å; L11-I49 HydrophobicContact CD2-CD1 3.75Å; L11-I49 HydrophobicContact CD2-CG1 4.26Å; L11-I49 HydrophobicContact CG-CD1 4.28Å |
| 12 | F | 90.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 53.9 Ų | 53.9 | 21% | 0.211 | 28% | 0.282 | C | S | . | . | trans | -79.9 | 62.9 | -174.6 | -63.3 | -89.3 | 0 | 0 | 0 | 111.6 | F8 H9 S10 L17 F134 | F8-F12 AromaticContact CD1-CE2 3.97Å; F8-F12 HydrophobicContact CD1-CE2 3.97Å; F8-F12 AromaticContact CD2-CE2 3.9Å; F8-F12 HydrophobicContact CD2-CE2 3.9Å; F8-F12 HydrophobicContact CD2-CZ 4.33Å; F8-F12 AromaticContact CE1-CE2 3.7Å; F8-F12 HydrophobicContact CE1-CE2 3.7Å; F8-F12 AromaticContact CE1-CZ 3.83Å; F8-F12 HydrophobicContact CE1-CZ 3.83Å; F8-F12 AromaticContact CE2-CE2 3.63Å; F8-F12 HydrophobicContact CE2-CE2 3.63Å; F8-F12 AromaticContact CE2-CZ 3.59Å; F8-F12 HydrophobicContact CE2-CZ 3.59Å; F8-F12 HydrophobicContact CG-CE2 4.09Å; F8-F12 AromaticContact CZ-CE2 3.55Å; F8-F12 HydrophobicContact CZ-CE2 3.55Å; F8-F12 AromaticContact CZ-CZ 3.32Å; F8-F12 HydrophobicContact CZ-CZ 3.32Å; F8-F12 VanDerWaalsContact O-CD2 3.24Å; F8-F12 WeakPolarHBondContact O-CD2 3.32Å; F8-F12 VanDerWaalsContact O-CE2 3.27Å; F8-F12 WeakPolarHBondContact O-CE2 3.5Å; H9-F12 PolarHBondContact O-N 3.09Å; S10-F12 VanDerWaalsContact C-N 3.33Å; F12-L17 HydrophobicContact CB-CD1 4.35Å; F12-L17 HydrophobicContact CB-CD2 4.32Å; F12-L17 HydrophobicContact CB-CG 4.2Å; F12-L17 HydrophobicContact CD1-CD2 3.68Å; F12-L17 HydrophobicContact CD1-CG 4.36Å; F12-L17 HydrophobicContact CG-CD2 4.46Å; F12-F134 HydrophobicContact CD1-CD1 4.18Å; F12-F134 HydrophobicContact CE1-CB 4Å; F12-F134 AromaticContact CE1-CD1 3.63Å; F12-F134 HydrophobicContact CE1-CD1 3.63Å; F12-F134 HydrophobicContact CE1-CG 4.25Å; F12-F134 WeakPolarHBondContact CE1-O 3.23Å; F12-F134 VanDerWaalsContact CZ-O 3.23Å; F12-F134 WeakPolarHBondContact CZ-O 2.96Å | ||
| 13 | T | 92.4 | Very high | 93.2 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | trans | -59.8 | 158.4 | 166.4 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | L11 E15 L16 L17 E90 | L11-T13 PolarHBondContact O-N 3.49Å; T13-E15 PolarHBondContact O-N 3.42Å; T13-L16 PolarHBondContact O-N 2.84Å; T13-L16 WeakPolarHBondContact OG1-CB 3.39Å; T13-L16 PolarHBondContact OG1-N 3.25Å; T13-L17 WeakPolarHBondContact O-CG 3.35Å; T13-L17 PolarHBondContact O-N 3.48Å; T13-E90 PolarHBondContact OG1-OE2 3.13Å | ||
| 14 | A | 93.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 55% | 0.554 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.9 | -35.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E18 | A14-E18 WeakPolarHBondContact O-CB 3.14Å; A14-E18 PolarHBondContact O-N 3.34Å |
| 15 | E | 94.9 | Very high | 93.8 | Very high | 40 Ų | 40 | 50 Ų | 50 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -46.8 | 177.7 | -69 | 64.2 | -143.7 | 0 | 0 | 112.2 | T13 E18 V19 I86 N87 A89 E90 F92 | T13-E15 PolarHBondContact O-N 3.42Å; E15-E18 WeakPolarHBondContact O-CB 3.49Å; E15-E18 PolarHBondContact O-N 3.03Å; E15-V19 PolarHBondContact O-N 3.32Å; E15-I86 HydrophobicContact CB-CB 4.09Å; E15-I86 HydrophobicContact CB-CG2 4.08Å; E15-I86 HydrophobicContact CG-CB 4.25Å; E15-I86 HydrophobicContact CG-CG2 4.14Å; E15-N87 HydrophobicContact CG-CB 4.45Å; E15-N87 PolarHBondContact OE1-ND2 3.11Å; E15-N87 VanDerWaalsContact OE1-ND2 3.12Å; E15-A89 HydrophobicContact CG-CB 4.31Å; E15-E90 HydrophobicContact CB-CB 3.96Å; E15-E90 HydrophobicContact CG-CB 3.95Å; E15-F92 HydrophobicContact CB-CE2 3.85Å; E15-F92 HydrophobicContact CB-CZ 3.85Å |
| 16 | L | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 178.8 | -178.8 | 66.8 | 0 | 0 | 0 | 111.5 | L11 T13 E18 V19 K20 I49 L51 F92 F134 | L11-L16 HydrophobicContact CB-CD2 4.25Å; L11-L16 WeakPolarHBondContact O-CD2 3.35Å; T13-L16 PolarHBondContact O-N 2.84Å; T13-L16 WeakPolarHBondContact OG1-CB 3.39Å; T13-L16 PolarHBondContact OG1-N 3.25Å; L16-E18 VanDerWaalsContact C-N 3.27Å; L16-E18 PolarHBondContact O-N 2.98Å; L16-V19 WeakPolarHBondContact O-CB 3.5Å; L16-V19 PolarHBondContact O-N 3.22Å; L16-K20 PolarHBondContact O-N 3.37Å; L16-I49 HydrophobicContact CD2-CD1 4.24Å; L16-L51 HydrophobicContact CD1-CD1 3.92Å; L16-L51 HydrophobicContact CD1-CD2 4.3Å; L16-F92 HydrophobicContact CB-CE1 3.79Å; L16-F92 HydrophobicContact CB-CZ 3.79Å; L16-F92 HydrophobicContact CD1-CD1 3.85Å; L16-F92 HydrophobicContact CD1-CE1 3.57Å; L16-F92 HydrophobicContact CD1-CZ 4.26Å; L16-F92 HydrophobicContact CG-CE1 4.22Å; L16-F134 HydrophobicContact CD1-CE1 4.08Å; L16-F134 HydrophobicContact CD1-CZ 4.21Å; L16-F134 HydrophobicContact CD2-CE1 4.08Å; L16-F134 HydrophobicContact CG-CE1 3.87Å; L16-F134 HydrophobicContact CG-CZ 4.49Å |
| 17 | L | 95 | Very high | 94.3 | Very high | 81 Ų | 81 | 54.9 Ų | 54.9 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 173.7 | -74 | 173.6 | 0 | 0 | 0 | 111.9 | F12 T13 K20 R21 | F12-L17 HydrophobicContact CB-CD1 4.35Å; F12-L17 HydrophobicContact CB-CD2 4.32Å; F12-L17 HydrophobicContact CB-CG 4.2Å; F12-L17 HydrophobicContact CD1-CD2 3.68Å; F12-L17 HydrophobicContact CD1-CG 4.36Å; F12-L17 HydrophobicContact CG-CD2 4.46Å; T13-L17 WeakPolarHBondContact O-CG 3.35Å; T13-L17 PolarHBondContact O-N 3.48Å; L17-K20 WeakPolarHBondContact O-CB 3.17Å; L17-K20 PolarHBondContact O-N 3.38Å; L17-R21 WeakPolarHBondContact O-CB 3.36Å; L17-R21 PolarHBondContact O-N 3.41Å |
| 18 | E | 95.7 | Very high | 94.6 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 173.5 | 179.5 | 61.6 | -171 | 0 | 0 | 111.2 | A14 E15 L16 K20 R21 L22 I86 | A14-E18 WeakPolarHBondContact O-CB 3.14Å; A14-E18 PolarHBondContact O-N 3.34Å; E15-E18 WeakPolarHBondContact O-CB 3.49Å; E15-E18 PolarHBondContact O-N 3.03Å; L16-E18 VanDerWaalsContact C-N 3.27Å; L16-E18 PolarHBondContact O-N 2.98Å; E18-K20 VanDerWaalsContact C-N 3.31Å; E18-K20 PolarHBondContact O-N 3.27Å; E18-R21 WeakPolarHBondContact O-CB 3.47Å; E18-R21 PolarHBondContact O-N 2.63Å; E18-R21 VanDerWaalsContact O-N 3.13Å; E18-R21 IonicContact OE1-CZ 2.74Å; E18-R21 IonicContact OE1-NE 3.56Å; E18-R21 PolarHBondContact OE1-NE 3.47Å; E18-R21 IonicContact OE1-NH2 3.55Å; E18-R21 PolarHBondContact OE1-NH2 2.97Å; E18-R21 IonicContact OE2-CZ 2.82Å; E18-R21 IonicContact OE2-NE 3.93Å; E18-R21 PolarHBondContact OE2-NE 3.08Å; E18-R21 IonicContact OE2-NH2 3.68Å; E18-L22 VanDerWaalsContact O-CG 3.3Å; E18-L22 WeakPolarHBondContact O-CG 3.35Å; E18-L22 PolarHBondContact O-N 3.39Å; E18-I86 HydrophobicContact CB-CG2 4.01Å; E18-I86 HydrophobicContact CG-CG2 3.88Å |
| 19 | V | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.5 | -51.3 | 171.6 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | E15 L16 R21 L22 F23 I30 L51 I86 F92 I94 | E15-V19 PolarHBondContact O-N 3.32Å; L16-V19 WeakPolarHBondContact O-CB 3.5Å; L16-V19 PolarHBondContact O-N 3.22Å; V19-R21 VanDerWaalsContact C-N 3.3Å; V19-R21 PolarHBondContact O-N 3.21Å; V19-L22 PolarHBondContact O-N 3.36Å; V19-L22 VanDerWaalsContact O-N 3.16Å; V19-F23 HydrophobicContact CG1-CD2 3.89Å; V19-F23 HydrophobicContact CG1-CE2 3.86Å; V19-F23 VanDerWaalsContact O-CD2 3.31Å; V19-F23 WeakPolarHBondContact O-CD2 3.17Å; V19-F23 PolarHBondContact O-N 3.31Å; V19-F23 VanDerWaalsContact O-N 3.14Å; V19-I30 HydrophobicContact CG1-CD1 3.86Å; V19-L51 HydrophobicContact CG1-CD1 4.12Å; V19-I86 HydrophobicContact CG2-CD1 4.03Å; V19-I86 HydrophobicContact CG2-CG1 3.6Å; V19-F92 HydrophobicContact CG2-CB 4.5Å; V19-F92 HydrophobicContact CG2-CD2 3.44Å; V19-F92 VanDerWaalsContact CG2-CD2 3.44Å; V19-F92 HydrophobicContact CG2-CE2 3.72Å; V19-F92 HydrophobicContact CG2-CG 3.97Å; V19-F92 HydrophobicContact CG2-CZ 4.46Å; V19-I94 HydrophobicContact CG1-CD1 4.03Å |
| 20 | K | 96.3 | Very high | 95.2 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.1 | -45.5 | 178.8 | -167 | -153 | -179.1 | -54.8 | 0 | 111.8 | L16 L17 E18 L22 F23 D24 I30 F134 | L16-K20 PolarHBondContact O-N 3.37Å; L17-K20 WeakPolarHBondContact O-CB 3.17Å; L17-K20 PolarHBondContact O-N 3.38Å; E18-K20 VanDerWaalsContact C-N 3.31Å; E18-K20 PolarHBondContact O-N 3.27Å; K20-L22 VanDerWaalsContact C-N 3.31Å; K20-L22 PolarHBondContact O-N 3.04Å; K20-F23 PolarHBondContact O-N 3.26Å; K20-D24 IonicContact NZ-OD1 3.04Å; K20-D24 PolarHBondContact NZ-OD1 3.4Å; K20-D24 IonicContact NZ-OD2 3.73Å; K20-D24 PolarHBondContact NZ-OD2 3.13Å; K20-D24 VanDerWaalsContact O-CG 3.29Å; K20-D24 PolarHBondContact O-N 3.07Å; K20-I30 HydrophobicContact CG-CG2 4.49Å; K20-F134 HydrophobicContact CB-CD1 4Å; K20-F134 HydrophobicContact CB-CE1 3.83Å; K20-F134 HydrophobicContact CB-CG 4.48Å; K20-F134 HydrophobicContact CB-CZ 4.16Å; K20-F134 HydrophobicContact CD-CB 3.78Å; K20-F134 HydrophobicContact CD-CD1 3.77Å; K20-F134 HydrophobicContact CD-CD2 4.31Å; K20-F134 HydrophobicContact CD-CE1 4.45Å; K20-F134 HydrophobicContact CD-CG 3.7Å; K20-F134 VanDerWaalsContact CE-CB 3.47Å; K20-F134 HydrophobicContact CG-CB 4.43Å; K20-F134 HydrophobicContact CG-CD1 3.87Å; K20-F134 HydrophobicContact CG-CD2 4.03Å; K20-F134 HydrophobicContact CG-CE1 4.09Å; K20-F134 HydrophobicContact CG-CE2 4.26Å; K20-F134 HydrophobicContact CG-CG 3.85Å; K20-F134 HydrophobicContact CG-CZ 4.29Å |
| 21 | R | 96.8 | Very high | 95.5 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 179.5 | -169.1 | -164.1 | 68 | 71.7 | -2.2 | 112 | L17 E18 V19 K25 | L17-R21 WeakPolarHBondContact O-CB 3.36Å; L17-R21 PolarHBondContact O-N 3.41Å; E18-R21 WeakPolarHBondContact O-CB 3.47Å; E18-R21 PolarHBondContact O-N 2.63Å; E18-R21 VanDerWaalsContact O-N 3.13Å; E18-R21 IonicContact OE1-CZ 2.74Å; E18-R21 IonicContact OE1-NE 3.56Å; E18-R21 PolarHBondContact OE1-NE 3.47Å; E18-R21 IonicContact OE1-NH2 3.55Å; E18-R21 PolarHBondContact OE1-NH2 2.97Å; E18-R21 IonicContact OE2-CZ 2.82Å; E18-R21 IonicContact OE2-NE 3.93Å; E18-R21 PolarHBondContact OE2-NE 3.08Å; E18-R21 IonicContact OE2-NH2 3.68Å; V19-R21 VanDerWaalsContact C-N 3.3Å; V19-R21 PolarHBondContact O-N 3.21Å; R21-K25 WeakPolarHBondContact O-CB 3.42Å; R21-K25 PolarHBondContact O-N 3.3Å |
| 22 | L | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 177.7 | -63.7 | 172.4 | 0 | 0 | 0 | 111.3 | E18 V19 K20 D24 K25 H26 M63 F64 E67 V69 I86 | E18-L22 VanDerWaalsContact O-CG 3.3Å; E18-L22 WeakPolarHBondContact O-CG 3.35Å; E18-L22 PolarHBondContact O-N 3.39Å; V19-L22 PolarHBondContact O-N 3.36Å; V19-L22 VanDerWaalsContact O-N 3.16Å; K20-L22 VanDerWaalsContact C-N 3.31Å; K20-L22 PolarHBondContact O-N 3.04Å; L22-D24 PolarHBondContact O-N 3.29Å; L22-K25 WeakPolarHBondContact O-CB 3.16Å; L22-K25 PolarHBondContact O-N 3.22Å; L22-H26 PolarHBondContact O-CD2 2.63Å; L22-H26 PolarHBondContact O-N 2.95Å; L22-H26 VanDerWaalsContact O-N 3.1Å; L22-M63 HydrophobicContact CB-SD 4.45Å; L22-F64 HydrophobicContact CD1-CE1 4.5Å; L22-E67 HydrophobicContact CD2-CB 3.88Å; L22-E67 HydrophobicContact CD2-CG 3.72Å; L22-V69 HydrophobicContact CD1-CG2 3.78Å; L22-I86 HydrophobicContact CD1-CD1 4.26Å |
| 23 | F | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 178.1 | -83 | -100.1 | 0 | 0 | 0 | 112.2 | V19 K20 H26 Q27 Y28 I30 T53 A55 M60 M63 F64 I94 | V19-F23 HydrophobicContact CG1-CD2 3.89Å; V19-F23 HydrophobicContact CG1-CE2 3.86Å; V19-F23 VanDerWaalsContact O-CD2 3.31Å; V19-F23 WeakPolarHBondContact O-CD2 3.17Å; V19-F23 PolarHBondContact O-N 3.31Å; V19-F23 VanDerWaalsContact O-N 3.14Å; K20-F23 PolarHBondContact O-N 3.26Å; F23-H26 CarbonylContact O-C 3.49Å; F23-H26 PolarHBondContact O-N 3.31Å; F23-Q27 PolarHBondContact O-N 2.54Å; F23-Y28 PolarHBondContact O-N 2.85Å; F23-I30 HydrophobicContact CB-CB 4.1Å; F23-I30 HydrophobicContact CB-CG2 3.63Å; F23-I30 HydrophobicContact CD1-CB 3.9Å; F23-I30 HydrophobicContact CD1-CD1 3.97Å; F23-I30 HydrophobicContact CD1-CG1 4.47Å; F23-I30 HydrophobicContact CD1-CG2 4.39Å; F23-I30 HydrophobicContact CD2-CD1 3.64Å; F23-I30 HydrophobicContact CE1-CD1 4.03Å; F23-I30 HydrophobicContact CE2-CD1 3.68Å; F23-I30 HydrophobicContact CG-CB 3.95Å; F23-I30 HydrophobicContact CG-CD1 3.79Å; F23-I30 HydrophobicContact CG-CG1 4.49Å; F23-I30 HydrophobicContact CG-CG2 3.97Å; F23-I30 HydrophobicContact CZ-CD1 3.89Å; F23-T53 WeakPolarHBondContact CD1-OG1 3.41Å; F23-T53 HydrophobicContact CE1-CG2 3.88Å; F23-T53 WeakPolarHBondContact CE1-OG1 3.42Å; F23-T53 HydrophobicContact CZ-CG2 4.5Å; F23-A55 HydrophobicContact CE1-CB 4.12Å; F23-M60 HydrophobicContact CE1-CG 4.27Å; F23-M60 HydrophobicContact CE1-SD 4.37Å; F23-M60 HydrophobicContact CZ-CG 4.11Å; F23-M60 HydrophobicContact CZ-SD 4.03Å; F23-M63 HydrophobicContact CD1-CE 4.37Å; F23-M63 HydrophobicContact CD2-CE 3.75Å; F23-M63 HydrophobicContact CD2-SD 4.41Å; F23-M63 HydrophobicContact CE1-CE 3.99Å; F23-M63 HydrophobicContact CE2-CE 3.35Å; F23-M63 HydrophobicContact CG-CE 4.26Å; F23-M63 HydrophobicContact CZ-CE 3.48Å; F23-M63 VanDerWaalsContact CZ-CE 3.48Å; F23-F64 HydrophobicContact CE2-CE1 4.23Å; F23-F64 AromaticContact CE2-CZ 3.89Å; F23-F64 HydrophobicContact CE2-CZ 3.89Å; F23-F64 HydrophobicContact CZ-CZ 4.16Å; F23-I94 HydrophobicContact CE1-CG2 4.37Å; F23-I94 HydrophobicContact CE2-CD1 3.73Å; F23-I94 HydrophobicContact CZ-CD1 3.85Å; F23-I94 HydrophobicContact CZ-CG2 3.87Å |
| 24 | D | 96.7 | Very high | 96.1 | Very high | 85 Ų | 85 | 48.7 Ų | 48.7 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.4 | -69.8 | -15.4 | 0 | 0 | 0 | 111.5 | K20 L22 H26 Q27 | K20-D24 IonicContact NZ-OD1 3.04Å; K20-D24 PolarHBondContact NZ-OD1 3.4Å; K20-D24 IonicContact NZ-OD2 3.73Å; K20-D24 PolarHBondContact NZ-OD2 3.13Å; K20-D24 VanDerWaalsContact O-CG 3.29Å; K20-D24 PolarHBondContact O-N 3.07Å; L22-D24 PolarHBondContact O-N 3.29Å; D24-H26 VanDerWaalsContact C-N 3.27Å; D24-H26 PolarHBondContact O-N 3.18Å; D24-Q27 PolarHBondContact O-N 3.48Å; D24-Q27 VanDerWaalsContact O-N 3.14Å |
| 25 | K | 97.2 | Very high | 96 | Very high | 117 Ų | 117 | 46.4 Ų | 46.4 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 178.7 | -178.8 | -171.5 | 179.6 | -166.7 | 0 | 111.5 | R21 L22 Q27 E67 | R21-K25 WeakPolarHBondContact O-CB 3.42Å; R21-K25 PolarHBondContact O-N 3.3Å; L22-K25 WeakPolarHBondContact O-CB 3.16Å; L22-K25 PolarHBondContact O-N 3.22Å; K25-Q27 VanDerWaalsContact C-N 3.32Å; K25-E67 WeakPolarHBondContact CD-OE1 3.15Å; K25-E67 WeakPolarHBondContact CE-OE1 3.27Å; K25-E67 IonicContact NZ-OE1 3.46Å; K25-E67 PolarHBondContact NZ-OE1 3.34Å; K25-E67 IonicContact NZ-OE2 2.61Å; K25-E67 PolarHBondContact NZ-OE2 3.32Å |
| 26 | H | 96.9 | Very high | 95.9 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 19% | 0.185 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5.5 | -179.3 | -75.5 | -96.2 | 0 | 0 | 0 | 113.8 | L22 F23 D24 Y28 M63 E66 E67 | L22-H26 PolarHBondContact O-CD2 2.63Å; L22-H26 PolarHBondContact O-N 2.95Å; L22-H26 VanDerWaalsContact O-N 3.1Å; F23-H26 CarbonylContact O-C 3.49Å; F23-H26 PolarHBondContact O-N 3.31Å; D24-H26 VanDerWaalsContact C-N 3.27Å; D24-H26 PolarHBondContact O-N 3.18Å; H26-Y28 VanDerWaalsContact C-N 3.31Å; H26-Y28 HydrophobicContact CB-CD2 3.68Å; H26-Y28 HydrophobicContact CB-CE2 3.72Å; H26-Y28 PolarHBondContact O-N 3.08Å; H26-M63 HydrophobicContact CB-CG 4.26Å; H26-M63 HydrophobicContact CB-SD 3.78Å; H26-M63 VanDerWaalsContact CD2-CG 3.48Å; H26-M63 WeakPolarHBondContact CD2-CG 3.47Å; H26-E66 IonicContact CE1-OE2 3.78Å; H26-E66 PolarHBondContact CE1-OE2 3.35Å; H26-E67 IonicContact CD2-OE1 3.67Å; H26-E67 IonicContact CE1-OE1 3.21Å; H26-E67 IonicContact NE2-OE1 2.67Å; H26-E67 PolarHBondContact NE2-OE1 3.45Å |
| 27 | Q | 96.7 | Very high | 95.9 | Very high | 178 Ų | 178 | 44.6 Ų | 44.6 | 83% | 0.832 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 34.4 | 176.5 | -53.7 | -177.7 | -8.9 | 0 | 0 | 114.2 | F23 D24 K25 | F23-Q27 PolarHBondContact O-N 2.54Å; D24-Q27 PolarHBondContact O-N 3.48Å; D24-Q27 VanDerWaalsContact O-N 3.14Å; K25-Q27 VanDerWaalsContact C-N 3.32Å |
| 28 | Y | 97 | Very high | 95.9 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | trans | -105.4 | 137.2 | 172.6 | -60 | -54.4 | 0 | 0 | 0 | 110.7 | F23 H26 A55 Q59 M63 | F23-Y28 PolarHBondContact O-N 2.85Å; H26-Y28 VanDerWaalsContact C-N 3.31Å; H26-Y28 HydrophobicContact CB-CD2 3.68Å; H26-Y28 HydrophobicContact CB-CE2 3.72Å; H26-Y28 PolarHBondContact O-N 3.08Å; Y28-A55 HydrophobicContact CD1-CB 3.88Å; Y28-A55 HydrophobicContact CD2-CB 3.77Å; Y28-A55 HydrophobicContact CE1-CB 4.34Å; Y28-A55 HydrophobicContact CE2-CB 4.25Å; Y28-A55 HydrophobicContact CG-CB 3.58Å; Y28-Q59 HydrophobicContact CE1-CB 4.39Å; Y28-Q59 HydrophobicContact CE1-CG 4.42Å; Y28-Q59 HydrophobicContact CE2-CB 4.16Å; Y28-Q59 WeakPolarHBondContact OH-CB 3.44Å; Y28-Q59 WeakPolarHBondContact OH-CG 3.36Å; Y28-M63 HydrophobicContact CD2-SD 4.23Å | ||
| 29 | E | 97.3 | Very high | 95.9 | Very high | 95 Ų | 95 | 39.2 Ų | 39.2 | 44% | 0.444 | 18% | 0.182 | S | C | . | . | trans | -75.6 | 139.7 | 174.7 | -62.4 | -170.1 | -177.4 | 0 | 0 | 110.3 | R31 T53 T54 W116 | E29-R31 IonicContact OE2-CZ 3.94Å; E29-R31 IonicContact OE2-NE 2.65Å; E29-R31 IonicContact OE2-NH2 3.32Å; E29-R31 PolarHBondContact OE2-NH2 2.84Å; E29-T53 WeakPolarHBondContact O-CA 3.4Å; E29-T53 VanDerWaalsContact O-CB 3.28Å; E29-T53 WeakPolarHBondContact O-CB 3.47Å; E29-T53 PolarHBondContact O-OG1 2.98Å; E29-T54 HydrophobicContact CB-CG2 3.98Å; E29-T54 HydrophobicContact CG-CG2 4.44Å; E29-T54 PolarHBondContact N-OG1 3.44Å; E29-T54 VanDerWaalsContact N-OG1 3.08Å; E29-T54 PolarHBondContact O-N 3.39Å; E29-W116 HydrophobicContact CB-CZ2 3.88Å; E29-W116 PolarHBondContact OE2-NE1 2.9Å | ||
| 30 | I | 97.8 | Very high | 95.8 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 137.2 | 174.6 | -172 | 161 | 0 | 0 | 0 | 110.6 | V19 K20 F23 L51 A52 I94 F134 | V19-I30 HydrophobicContact CG1-CD1 3.86Å; K20-I30 HydrophobicContact CG-CG2 4.49Å; F23-I30 HydrophobicContact CB-CB 4.1Å; F23-I30 HydrophobicContact CB-CG2 3.63Å; F23-I30 HydrophobicContact CD1-CB 3.9Å; F23-I30 HydrophobicContact CD1-CD1 3.97Å; F23-I30 HydrophobicContact CD1-CG1 4.47Å; F23-I30 HydrophobicContact CD1-CG2 4.39Å; F23-I30 HydrophobicContact CD2-CD1 3.64Å; F23-I30 HydrophobicContact CE1-CD1 4.03Å; F23-I30 HydrophobicContact CE2-CD1 3.68Å; F23-I30 HydrophobicContact CG-CB 3.95Å; F23-I30 HydrophobicContact CG-CD1 3.79Å; F23-I30 HydrophobicContact CG-CG1 4.49Å; F23-I30 HydrophobicContact CG-CG2 3.97Å; F23-I30 HydrophobicContact CZ-CD1 3.89Å; I30-L51 HydrophobicContact CD1-CB 4.19Å; I30-L51 HydrophobicContact CD1-CD1 4.02Å; I30-L51 HydrophobicContact CG1-CB 4.33Å; I30-A52 WeakPolarHBondContact CA-O 3.36Å; I30-I94 HydrophobicContact CD1-CG2 4.31Å; I30-F134 HydrophobicContact CG1-CE2 4.3Å; I30-F134 HydrophobicContact CG2-CE2 3.87Å; I30-F134 HydrophobicContact CG2-CZ 4.49Å |
| 31 | R | 97.6 | Very high | 95.7 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 11% | 0.109 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.4 | -179.6 | -57 | 179.8 | -167.2 | 169.9 | 6 | 110.4 | E29 L51 A52 W116 F131 F139 | E29-R31 IonicContact OE2-CZ 3.94Å; E29-R31 IonicContact OE2-NE 2.65Å; E29-R31 IonicContact OE2-NH2 3.32Å; E29-R31 PolarHBondContact OE2-NH2 2.84Å; R31-L51 WeakPolarHBondContact O-CA 3.2Å; R31-A52 PolarHBondContact N-O 3.11Å; R31-A52 PolarHBondContact O-N 3.11Å; R31-W116 HydrophobicContact CB-CH2 3.56Å; R31-W116 HydrophobicContact CB-CZ2 4.41Å; R31-W116 HydrophobicContact CB-CZ3 3.74Å; R31-W116 HydrophobicContact CG-CH2 3.41Å; R31-W116 VanDerWaalsContact CG-CH2 3.41Å; R31-W116 HydrophobicContact CG-CZ2 3.77Å; R31-W116 HydrophobicContact CG-CZ3 3.89Å; R31-W116 VanDerWaalsContact CZ-CE2 3.41Å; R31-F131 HydrophobicContact CB-CB 4.12Å; R31-F139 VanDerWaalsContact NH1-CD1 3.32Å |
| 32 | I | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 138.9 | 167.5 | -59.7 | 166.3 | 0 | 0 | 0 | 107.7 | F8 L11 A36 V37 I49 L51 F131 L132 | F8-I32 HydrophobicContact CE2-CD1 4.48Å; L11-I32 HydrophobicContact CD1-CD1 4.06Å; I32-A36 HydrophobicContact CG2-CB 3.76Å; I32-V37 HydrophobicContact CB-CG2 4.41Å; I32-V37 HydrophobicContact CG2-CG2 3.91Å; I32-V37 WeakPolarHBondContact O-CG2 3.49Å; I32-I49 HydrophobicContact CG1-CG2 4.19Å; I32-I49 HydrophobicContact CG2-CG2 4.06Å; I32-L51 HydrophobicContact CG1-CD2 3.92Å; I32-F131 CarbonylContact O-C 2.98Å; I32-F131 VanDerWaalsContact O-CA 3.25Å; I32-F131 WeakPolarHBondContact O-CA 3.32Å; I32-L132 HydrophobicContact CB-CB 4.22Å; I32-L132 HydrophobicContact CD1-CD2 4.44Å; I32-L132 PolarHBondContact N-O 3.38Å; I32-L132 PolarHBondContact O-N 2.9Å |
| 33 | A | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 158 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | G35 D50 A52 F131 | A33-G35 PolarHBondContact O-N 2.75Å; A33-D50 PolarHBondContact N-O 3.48Å; A33-A52 HydrophobicContact CB-CB 3.79Å; A33-F131 HydrophobicContact CB-CD1 3.69Å; A33-F131 HydrophobicContact CB-CE1 3.95Å |
| 34 | G | 91.8 | Very high | 95 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | -129.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A36 V37 R38 N128 M130 | G34-A36 VanDerWaalsContact C-N 3.27Å; G34-A36 PolarHBondContact O-N 2.91Å; G34-V37 PolarHBondContact O-N 3.27Å; G34-R38 PolarHBondContact O-N 2.72Å; G34-N128 WeakPolarHBondContact CA-O 3.48Å; G34-M130 PolarHBondContact N-O 3.02Å |
| 35 | G | 91 | Very high | 94.7 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -26.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A33 R38 D39 | A33-G35 PolarHBondContact O-N 2.75Å; G35-R38 VanDerWaalsContact CA-NH1 3.28Å; G35-R38 PolarHBondContact O-NH2 3.44Å; G35-D39 PolarHBondContact O-N 3.14Å; G35-D39 VanDerWaalsContact O-N 3.08Å |
| 36 | A | 93.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I32 G34 R38 D39 L40 P46 | I32-A36 HydrophobicContact CG2-CB 3.76Å; G34-A36 VanDerWaalsContact C-N 3.27Å; G34-A36 PolarHBondContact O-N 2.91Å; A36-R38 VanDerWaalsContact C-N 3.34Å; A36-R38 PolarHBondContact O-N 3.16Å; A36-D39 PolarHBondContact O-N 3.37Å; A36-L40 WeakPolarHBondContact O-CB 3.27Å; A36-L40 VanDerWaalsContact O-CG 3.26Å; A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 3.4Å; A36-P46 HydrophobicContact CB-CB 3.9Å; A36-P46 HydrophobicContact CB-CG 4.28Å |
| 37 | V | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | I32 G34 L40 L41 M130 L132 | I32-V37 HydrophobicContact CB-CG2 4.41Å; I32-V37 HydrophobicContact CG2-CG2 3.91Å; I32-V37 WeakPolarHBondContact O-CG2 3.49Å; G34-V37 PolarHBondContact O-N 3.27Å; V37-L40 PolarHBondContact O-N 3.4Å; V37-L41 HydrophobicContact CG1-CD1 3.79Å; V37-L41 HydrophobicContact CG1-CG 4.4Å; V37-L41 WeakPolarHBondContact O-CB 3.36Å; V37-L41 VanDerWaalsContact O-CG 3.25Å; V37-L41 WeakPolarHBondContact O-CG 3.39Å; V37-L41 PolarHBondContact O-N 3.17Å; V37-M130 HydrophobicContact CG1-CB 3.86Å; V37-L132 HydrophobicContact CG1-CB 4.1Å; V37-L132 HydrophobicContact CG2-CB 3.81Å |
| 38 | R | 95.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 34 Ų | 34 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.6 | -50.1 | 175.9 | -175.7 | -162.5 | 64.1 | -110.6 | -10.3 | 112.4 | G34 G35 A36 L41 M42 V127 N128 I148 V180 | G34-R38 PolarHBondContact O-N 2.72Å; G35-R38 VanDerWaalsContact CA-NH1 3.28Å; G35-R38 PolarHBondContact O-NH2 3.44Å; A36-R38 VanDerWaalsContact C-N 3.34Å; A36-R38 PolarHBondContact O-N 3.16Å; R38-L41 PolarHBondContact O-N 3.04Å; R38-M42 HydrophobicContact CG-SD 4.03Å; R38-M42 WeakPolarHBondContact O-CB 3.46Å; R38-M42 VanDerWaalsContact O-CG 3.32Å; R38-M42 WeakPolarHBondContact O-CG 3.35Å; R38-M42 PolarHBondContact O-N 2.93Å; R38-V127 WeakPolarHBondContact CB-O 3.3Å; R38-V127 HydrophobicContact CG-CB 4.24Å; R38-N128 PolarHBondContact NH1-OD1 3.03Å; R38-I148 HydrophobicContact CB-CD1 4.3Å; R38-I148 HydrophobicContact CG-CD1 3.93Å; R38-I148 HydrophobicContact CG-CG1 4.37Å; R38-V180 HydrophobicContact CG-CG2 4.45Å |
| 39 | D | 93.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | -176.2 | -77.6 | -3.6 | 0 | 0 | 0 | 110.5 | G35 A36 L41 M42 G43 V44 P46 R179 | G35-D39 PolarHBondContact O-N 3.14Å; G35-D39 VanDerWaalsContact O-N 3.08Å; A36-D39 PolarHBondContact O-N 3.37Å; D39-L41 PolarHBondContact O-N 3.14Å; D39-M42 CarbonylContact O-C 3.04Å; D39-M42 WeakPolarHBondContact O-CA 3.39Å; D39-M42 WeakPolarHBondContact O-CB 3.4Å; D39-M42 PolarHBondContact O-N 3.18Å; D39-G43 PolarHBondContact O-N 3.04Å; D39-G43 VanDerWaalsContact O-N 3.17Å; D39-V44 CarbonylContact C-O 3.58Å; D39-V44 HydrophobicContact CB-CB 4.22Å; D39-V44 WeakPolarHBondContact O-CA 3.34Å; D39-V44 PolarHBondContact O-N 3.34Å; D39-V44 VanDerWaalsContact O-O 3.09Å; D39-P46 HydrophobicContact CB-CB 4.36Å; D39-R179 IonicContact OD1-CZ 3.46Å; D39-R179 IonicContact OD1-NE 3.38Å; D39-R179 PolarHBondContact OD1-NE 2.91Å; D39-R179 IonicContact OD1-NH2 3.64Å; D39-R179 IonicContact OD2-CZ 2.64Å; D39-R179 IonicContact OD2-NE 2.69Å; D39-R179 IonicContact OD2-NH2 3.38Å; D39-R179 PolarHBondContact OD2-NH2 2.83Å |
| 40 | L | 94.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 173.9 | -72.1 | 172 | 0 | 0 | 0 | 113 | L3 E7 F8 L11 A36 V37 M42 G43 V44 P46 L132 | L3-L40 HydrophobicContact CD2-CB 3.8Å; L3-L40 HydrophobicContact CD2-CD1 4.46Å; E7-L40 HydrophobicContact CB-CD2 3.97Å; E7-L40 WeakPolarHBondContact O-CD2 3.42Å; F8-L40 HydrophobicContact CB-CD2 4.37Å; F8-L40 HydrophobicContact CD2-CD1 4.21Å; L11-L40 HydrophobicContact CD1-CD1 3.56Å; L11-L40 HydrophobicContact CD1-CD2 3.88Å; L11-L40 HydrophobicContact CD1-CG 4.15Å; L11-L40 HydrophobicContact CG-CD2 4.39Å; A36-L40 WeakPolarHBondContact O-CB 3.27Å; A36-L40 VanDerWaalsContact O-CG 3.26Å; A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 3.4Å; V37-L40 PolarHBondContact O-N 3.4Å; L40-M42 PolarHBondContact O-N 3.5Å; L40-G43 PolarHBondContact O-N 3.49Å; L40-V44 PolarHBondContact N-O 2.99Å; L40-P46 HydrophobicContact CD2-CG 4.29Å; L40-P46 HydrophobicContact CG-CG 4.26Å; L40-L132 HydrophobicContact CD1-CD2 3.51Å |
| 41 | L | 94 | Very high | 92.5 | Very high | 31 Ų | 31 | 31.3 Ų | 31.3 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -21.1 | 176.5 | -70.9 | 169.2 | 0 | 0 | 0 | 112.7 | L3 V37 R38 D39 M130 V138 L145 I148 | L3-L41 HydrophobicContact CD1-CD2 4.37Å; V37-L41 HydrophobicContact CG1-CD1 3.79Å; V37-L41 HydrophobicContact CG1-CG 4.4Å; V37-L41 WeakPolarHBondContact O-CB 3.36Å; V37-L41 VanDerWaalsContact O-CG 3.25Å; V37-L41 WeakPolarHBondContact O-CG 3.39Å; V37-L41 PolarHBondContact O-N 3.17Å; R38-L41 PolarHBondContact O-N 3.04Å; D39-L41 PolarHBondContact O-N 3.14Å; L41-M130 HydrophobicContact CD1-CE 3.81Å; L41-M130 HydrophobicContact CD1-SD 3.83Å; L41-V138 HydrophobicContact CD1-CG1 4.41Å; L41-V138 HydrophobicContact CD2-CG2 4.02Å; L41-L145 HydrophobicContact CD1-CD2 3.78Å; L41-L145 HydrophobicContact CD2-CD2 3.87Å; L41-L145 HydrophobicContact CG-CD2 4.44Å; L41-I148 HydrophobicContact CB-CD1 3.89Å; L41-I148 HydrophobicContact CB-CG2 4.45Å; L41-I148 HydrophobicContact CD1-CD1 3.84Å |
| 42 | M | 93.2 | Very high | 92.5 | Very high | 32 Ų | 32 | 30 Ų | 30 | 16% | 0.158 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 1 | 172.7 | -73.3 | 179.6 | 52.3 | 0 | 0 | 113.6 | R38 D39 L40 V44 I148 R179 V180 | R38-M42 HydrophobicContact CG-SD 4.03Å; R38-M42 WeakPolarHBondContact O-CB 3.46Å; R38-M42 VanDerWaalsContact O-CG 3.32Å; R38-M42 WeakPolarHBondContact O-CG 3.35Å; R38-M42 PolarHBondContact O-N 2.93Å; D39-M42 CarbonylContact O-C 3.04Å; D39-M42 WeakPolarHBondContact O-CA 3.39Å; D39-M42 WeakPolarHBondContact O-CB 3.4Å; D39-M42 PolarHBondContact O-N 3.18Å; L40-M42 PolarHBondContact O-N 3.5Å; M42-V44 HydrophobicContact CB-CG2 4.38Å; M42-I148 HydrophobicContact CG-CG2 3.83Å; M42-R179 VanDerWaalsContact CE-O 3.29Å; M42-R179 WeakPolarHBondContact CE-O 3.48Å; M42-V180 HydrophobicContact SD-CG2 4.15Å |
| 43 | G | 92.3 | Very high | 92.6 | Very high | 43 Ų | 43 | 30 Ų | 30 | 44% | 0.443 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 29.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D39 L40 | D39-G43 PolarHBondContact O-N 3.04Å; D39-G43 VanDerWaalsContact O-N 3.17Å; L40-G43 PolarHBondContact O-N 3.49Å |
| 44 | V | 91.3 | Very high | 92.6 | Very high | 53 Ų | 53 | 31 Ų | 31 | 32% | 0.321 | 20% | 0.197 | S | C | . | . | trans | -118.1 | 132.6 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | D39 L40 M42 P46 | D39-V44 CarbonylContact C-O 3.58Å; D39-V44 HydrophobicContact CB-CB 4.22Å; D39-V44 WeakPolarHBondContact O-CA 3.34Å; D39-V44 PolarHBondContact O-N 3.34Å; D39-V44 VanDerWaalsContact O-O 3.09Å; L40-V44 PolarHBondContact N-O 2.99Å; M42-V44 HydrophobicContact CB-CG2 4.38Å; V44-P46 WeakPolarHBondContact O-CD 3.39Å | ||
| 45 | Q | 90.1 | Very high | 92.9 | Very high | 89 Ų | 89 | 30.8 Ų | 30.8 | 42% | 0.416 | 20% | 0.196 | S | C | . | . | trans | -62.7 | 121.3 | 172.6 | -170.3 | 68.4 | 30.2 | 0 | 0 | 110.1 | E7 S10 | E7-Q45 PolarHBondContact O-OE1 3.46Å; S10-Q45 PolarHBondContact OG-NE2 3.33Å; S10-Q45 PolarHBondContact OG-OE1 2.87Å | ||
| 46 | P | 89.8 | Confident | 93.1 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | trans | -69.5 | 145 | 174.1 | 30.5 | -35.3 | 0 | 0 | 0 | 110.5 | L11 A36 D39 L40 V44 | L11-P46 HydrophobicContact CD1-CG 4.18Å; L11-P46 HydrophobicContact CD2-CG 3.65Å; A36-P46 HydrophobicContact CB-CB 3.9Å; A36-P46 HydrophobicContact CB-CG 4.28Å; D39-P46 HydrophobicContact CB-CB 4.36Å; L40-P46 HydrophobicContact CD2-CG 4.29Å; L40-P46 HydrophobicContact CG-CG 4.26Å; V44-P46 WeakPolarHBondContact O-CD 3.39Å | ||
| 47 | G | 82.5 | Confident | 93.1 | Very high | 74 Ų | 74 | 32.1 Ų | 32.1 | 76% | 0.763 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -78.6 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 48 | D | 84.2 | Confident | 92.9 | Very high | 143 Ų | 143 | 38.5 Ų | 38.5 | 77% | 0.765 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -124.9 | 144.5 | 177.7 | -58.6 | -51 | 0 | 0 | 0 | 108.9 | ||
| 49 | I | 90.7 | Very high | 92.9 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | trans | -107.1 | 116.4 | 178 | -54.8 | 174.4 | 0 | 0 | 0 | 108.7 | L11 L16 I32 L51 | L11-I49 HydrophobicContact CB-CD1 4.16Å; L11-I49 HydrophobicContact CD1-CD1 4.27Å; L11-I49 HydrophobicContact CD2-CD1 3.75Å; L11-I49 HydrophobicContact CD2-CG1 4.26Å; L11-I49 HydrophobicContact CG-CD1 4.28Å; L16-I49 HydrophobicContact CD2-CD1 4.24Å; I32-I49 HydrophobicContact CG1-CG2 4.19Å; I32-I49 HydrophobicContact CG2-CG2 4.06Å; I49-L51 HydrophobicContact CG2-CD2 3.9Å; I49-L51 HydrophobicContact CG2-CG 4.28Å | ||
| 50 | D | 92.6 | Very high | 93 | Very high | 72 Ų | 72 | 40.6 Ų | 40.6 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125 | 168.7 | -64.1 | -23.7 | 0 | 0 | 0 | 109 | A33 | A33-D50 PolarHBondContact N-O 3.48Å |
| 51 | L | 96.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.2 | 174.5 | -62.3 | 174.5 | 0 | 0 | 0 | 110 | L16 V19 I30 R31 I32 I49 F92 E93 I94 T95 F134 | L16-L51 HydrophobicContact CD1-CD1 3.92Å; L16-L51 HydrophobicContact CD1-CD2 4.3Å; V19-L51 HydrophobicContact CG1-CD1 4.12Å; I30-L51 HydrophobicContact CD1-CB 4.19Å; I30-L51 HydrophobicContact CD1-CD1 4.02Å; I30-L51 HydrophobicContact CG1-CB 4.33Å; R31-L51 WeakPolarHBondContact O-CA 3.2Å; I32-L51 HydrophobicContact CG1-CD2 3.92Å; I49-L51 HydrophobicContact CG2-CD2 3.9Å; I49-L51 HydrophobicContact CG2-CG 4.28Å; L51-F92 HydrophobicContact CD1-CB 4.12Å; L51-F92 HydrophobicContact CD1-CD1 4.25Å; L51-F92 HydrophobicContact CD1-CG 4.44Å; L51-E93 PolarHBondContact N-O 2.87Å; L51-I94 HydrophobicContact CB-CB 4.37Å; L51-I94 HydrophobicContact CB-CG1 3.9Å; L51-I94 HydrophobicContact CB-CG2 4.31Å; L51-I94 HydrophobicContact CD1-CG1 3.91Å; L51-I94 HydrophobicContact CG-CG1 4.49Å; L51-I94 WeakPolarHBondContact O-CA 3.45Å; L51-T95 PolarHBondContact O-N 3.3Å; L51-F134 HydrophobicContact CD2-CZ 4.21Å |
| 52 | A | 97.5 | Very high | 93 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I30 R31 A33 T95 L97 W116 F131 | I30-A52 WeakPolarHBondContact CA-O 3.36Å; R31-A52 PolarHBondContact N-O 3.11Å; R31-A52 PolarHBondContact O-N 3.11Å; A33-A52 HydrophobicContact CB-CB 3.79Å; A52-T95 VanDerWaalsContact CA-O 3.28Å; A52-T95 WeakPolarHBondContact CA-O 3.46Å; A52-L97 HydrophobicContact CB-CD2 3.96Å; A52-W116 HydrophobicContact CB-CH2 4.24Å; A52-W116 HydrophobicContact CB-CZ3 3.79Å; A52-W116 WeakPolarHBondContact O-CH2 2.83Å; A52-F131 HydrophobicContact CB-CD1 4.31Å; A52-F131 HydrophobicContact CB-CE1 4.08Å |
| 53 | T | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 154.3 | -176.5 | -175.4 | 0 | 0 | 0 | 0 | 113.7 | F23 E29 A55 M60 I94 T95 T96 L97 | F23-T53 WeakPolarHBondContact CD1-OG1 3.41Å; F23-T53 HydrophobicContact CE1-CG2 3.88Å; F23-T53 WeakPolarHBondContact CE1-OG1 3.42Å; F23-T53 HydrophobicContact CZ-CG2 4.5Å; E29-T53 WeakPolarHBondContact O-CA 3.4Å; E29-T53 VanDerWaalsContact O-CB 3.28Å; E29-T53 WeakPolarHBondContact O-CB 3.47Å; E29-T53 PolarHBondContact O-OG1 2.98Å; T53-A55 VanDerWaalsContact C-N 3.28Å; T53-A55 HydrophobicContact CG2-CB 4Å; T53-A55 PolarHBondContact OG1-N 2.84Å; T53-A55 VanDerWaalsContact OG1-N 3.12Å; T53-M60 HydrophobicContact CG2-CE 4.2Å; T53-M60 HydrophobicContact CG2-CG 4.47Å; T53-M60 HydrophobicContact CG2-SD 3.65Å; T53-I94 HydrophobicContact CG2-CG2 3.53Å; T53-T95 PolarHBondContact N-O 3.1Å; T53-T96 WeakPolarHBondContact O-CA 3.29Å; T53-L97 WeakPolarHBondContact O-CG 3.45Å; T53-L97 PolarHBondContact O-N 3.25Å |
| 54 | T | 97.5 | Very high | 93.2 | Very high | 22 Ų | 22 | 42 Ų | 42 | 14% | 0.135 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -75.1 | -15.1 | 169 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | E29 L97 T114 W116 | E29-T54 HydrophobicContact CB-CG2 3.98Å; E29-T54 HydrophobicContact CG-CG2 4.44Å; E29-T54 PolarHBondContact N-OG1 3.44Å; E29-T54 VanDerWaalsContact N-OG1 3.08Å; E29-T54 PolarHBondContact O-N 3.39Å; T54-L97 HydrophobicContact CG2-CD1 4.01Å; T54-T114 HydrophobicContact CG2-CG2 4.41Å; T54-W116 HydrophobicContact CG2-CZ2 4.33Å |
| 55 | A | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -69.6 | 132.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F23 Y28 T53 Q59 M60 T96 | F23-A55 HydrophobicContact CE1-CB 4.12Å; Y28-A55 HydrophobicContact CD1-CB 3.88Å; Y28-A55 HydrophobicContact CD2-CB 3.77Å; Y28-A55 HydrophobicContact CE1-CB 4.34Å; Y28-A55 HydrophobicContact CE2-CB 4.25Å; Y28-A55 HydrophobicContact CG-CB 3.58Å; T53-A55 VanDerWaalsContact C-N 3.28Å; T53-A55 HydrophobicContact CG2-CB 4Å; T53-A55 PolarHBondContact OG1-N 2.84Å; T53-A55 VanDerWaalsContact OG1-N 3.12Å; A55-Q59 HydrophobicContact CB-CB 4.34Å; A55-M60 HydrophobicContact CB-CG 3.65Å; A55-T96 WeakPolarHBondContact O-CB 3.23Å; A55-T96 WeakPolarHBondContact O-CG2 3.35Å; A55-T96 PolarHBondContact O-OG1 3.23Å |
| 56 | T | 94.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | trans | -67.9 | 161.9 | 171.3 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | E58 Q59 M60 F112 | T56-E58 PolarHBondContact O-N 3.34Å; T56-Q59 PolarHBondContact O-N 2.89Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.46Å; T56-Q59 PolarHBondContact OG1-N 2.92Å; T56-Q59 PolarHBondContact OG1-OE1 3.44Å; T56-M60 WeakPolarHBondContact O-CG 3.48Å; T56-M60 PolarHBondContact O-N 2.89Å; T56-F112 HydrophobicContact CG2-CD2 4.42Å | ||
| 57 | P | 93.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.2 | -37.4 | 176.2 | -26.5 | 37.4 | 0 | 0 | 0 | 112.8 | M60 M61 V82 T96 F112 | P57-M60 PolarHBondContact O-N 3.26Å; P57-M61 WeakPolarHBondContact O-CB 3.05Å; P57-M61 VanDerWaalsContact O-CG 3.26Å; P57-M61 WeakPolarHBondContact O-CG 2.66Å; P57-M61 PolarHBondContact O-N 3.11Å; P57-V82 HydrophobicContact CB-CG2 4.14Å; P57-T96 VanDerWaalsContact CD-OG1 3.3Å; P57-T96 WeakPolarHBondContact CD-OG1 3.36Å; P57-F112 HydrophobicContact CG-CE1 4.17Å; P57-F112 HydrophobicContact CG-CE2 3.95Å; P57-F112 HydrophobicContact CG-CZ 3.57Å |
| 58 | E | 93 | Very high | 94.4 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 63% | 0.631 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.7 | -49.5 | 175.6 | -172.5 | 173.8 | -166.1 | 0 | 0 | 111.4 | T56 M60 M61 D62 | T56-E58 PolarHBondContact O-N 3.34Å; E58-M60 VanDerWaalsContact C-N 3.33Å; E58-M60 PolarHBondContact O-N 3.22Å; E58-M61 PolarHBondContact O-N 3.23Å; E58-M61 VanDerWaalsContact O-N 3.15Å; E58-D62 PolarHBondContact O-N 2.83Å |
| 59 | Q | 95.6 | Very high | 94.8 | Very high | 67 Ų | 67 | 45.4 Ų | 45.4 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 176.4 | -73.1 | 172.3 | -32.5 | 0 | 0 | 112.8 | Y28 A55 T56 M63 | Y28-Q59 HydrophobicContact CE1-CB 4.39Å; Y28-Q59 HydrophobicContact CE1-CG 4.42Å; Y28-Q59 HydrophobicContact CE2-CB 4.16Å; Y28-Q59 WeakPolarHBondContact OH-CB 3.44Å; Y28-Q59 WeakPolarHBondContact OH-CG 3.36Å; A55-Q59 HydrophobicContact CB-CB 4.34Å; T56-Q59 PolarHBondContact O-N 2.89Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.46Å; T56-Q59 PolarHBondContact OG1-N 2.92Å; T56-Q59 PolarHBondContact OG1-OE1 3.44Å; Q59-M63 VanDerWaalsContact O-CB 3.25Å; Q59-M63 WeakPolarHBondContact O-CB 3.47Å; Q59-M63 PolarHBondContact O-N 2.98Å |
| 60 | M | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 175.2 | -73.9 | -169.8 | -75.6 | 0 | 0 | 111.5 | F23 T53 A55 T56 P57 E58 M63 F64 V82 I94 T96 | F23-M60 HydrophobicContact CE1-CG 4.27Å; F23-M60 HydrophobicContact CE1-SD 4.37Å; F23-M60 HydrophobicContact CZ-CG 4.11Å; F23-M60 HydrophobicContact CZ-SD 4.03Å; T53-M60 HydrophobicContact CG2-CE 4.2Å; T53-M60 HydrophobicContact CG2-CG 4.47Å; T53-M60 HydrophobicContact CG2-SD 3.65Å; A55-M60 HydrophobicContact CB-CG 3.65Å; T56-M60 WeakPolarHBondContact O-CG 3.48Å; T56-M60 PolarHBondContact O-N 2.89Å; P57-M60 PolarHBondContact O-N 3.26Å; E58-M60 VanDerWaalsContact C-N 3.33Å; E58-M60 PolarHBondContact O-N 3.22Å; M60-M63 PolarHBondContact O-N 2.87Å; M60-F64 HydrophobicContact CB-CD2 4.32Å; M60-F64 HydrophobicContact CB-CE2 4Å; M60-F64 WeakPolarHBondContact O-CB 3.32Å; M60-F64 WeakPolarHBondContact O-CD2 3.32Å; M60-F64 VanDerWaalsContact O-CG 3.26Å; M60-F64 WeakPolarHBondContact O-CG 3.29Å; M60-F64 PolarHBondContact O-N 3.43Å; M60-V82 HydrophobicContact CB-CB 4.48Å; M60-V82 HydrophobicContact CB-CG2 4.28Å; M60-V82 HydrophobicContact CE-CB 4.08Å; M60-V82 HydrophobicContact CE-CG2 3.79Å; M60-V82 HydrophobicContact SD-CB 4.3Å; M60-I94 HydrophobicContact SD-CB 4.01Å; M60-I94 HydrophobicContact SD-CG2 3.53Å; M60-I94 VanDerWaalsContact SD-CG2 3.53Å; M60-T96 VanDerWaalsContact CE-OG1 3.27Å; M60-T96 WeakPolarHBondContact CE-OG1 3.33Å |
| 61 | M | 92.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 20% | 0.197 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 177.5 | -75.1 | -173 | -69.1 | 0 | 0 | 111.8 | P57 E58 F64 N65 M71 E77 | P57-M61 WeakPolarHBondContact O-CB 3.05Å; P57-M61 VanDerWaalsContact O-CG 3.26Å; P57-M61 WeakPolarHBondContact O-CG 2.66Å; P57-M61 PolarHBondContact O-N 3.11Å; E58-M61 PolarHBondContact O-N 3.23Å; E58-M61 VanDerWaalsContact O-N 3.15Å; M61-F64 PolarHBondContact O-N 3.42Å; M61-N65 WeakPolarHBondContact O-CB 3.27Å; M61-N65 PolarHBondContact O-N 3.49Å; M61-N65 PolarHBondContact O-ND2 3.32Å; M61-M71 HydrophobicContact CB-CE 4.32Å; M61-M71 HydrophobicContact CB-SD 4.12Å; M61-M71 HydrophobicContact CG-CE 4.38Å; M61-M71 HydrophobicContact CG-SD 3.77Å; M61-E77 HydrophobicContact SD-CG 4.18Å; M61-E77 VanDerWaalsContact SD-OE1 3.32Å |
| 62 | D | 94.6 | Very high | 94.3 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 177.9 | -71.6 | -17 | 0 | 0 | 0 | 111.1 | E58 F64 N65 E66 | E58-D62 PolarHBondContact O-N 2.83Å; D62-F64 PolarHBondContact O-N 3.05Å; D62-N65 PolarHBondContact O-N 3.37Å; D62-E66 WeakPolarHBondContact O-CB 3.38Å; D62-E66 PolarHBondContact O-N 3.12Å |
| 63 | M | 96.2 | Very high | 93 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.5 | -50 | 174.5 | 173.3 | -178.6 | 75.5 | 0 | 0 | 111.7 | L22 F23 H26 Y28 Q59 M60 N65 E66 E67 | L22-M63 HydrophobicContact CB-SD 4.45Å; F23-M63 HydrophobicContact CD1-CE 4.37Å; F23-M63 HydrophobicContact CD2-CE 3.75Å; F23-M63 HydrophobicContact CD2-SD 4.41Å; F23-M63 HydrophobicContact CE1-CE 3.99Å; F23-M63 HydrophobicContact CE2-CE 3.35Å; F23-M63 HydrophobicContact CG-CE 4.26Å; F23-M63 HydrophobicContact CZ-CE 3.48Å; F23-M63 VanDerWaalsContact CZ-CE 3.48Å; H26-M63 HydrophobicContact CB-CG 4.26Å; H26-M63 HydrophobicContact CB-SD 3.78Å; H26-M63 VanDerWaalsContact CD2-CG 3.48Å; H26-M63 WeakPolarHBondContact CD2-CG 3.47Å; Y28-M63 HydrophobicContact CD2-SD 4.23Å; Q59-M63 VanDerWaalsContact O-CB 3.25Å; Q59-M63 WeakPolarHBondContact O-CB 3.47Å; Q59-M63 PolarHBondContact O-N 2.98Å; M60-M63 PolarHBondContact O-N 2.87Å; M63-N65 VanDerWaalsContact C-N 3.34Å; M63-N65 PolarHBondContact O-N 3.25Å; M63-E66 PolarHBondContact O-N 3.42Å; M63-E67 WeakPolarHBondContact O-CB 3.49Å; M63-E67 WeakPolarHBondContact O-CG 3.26Å; M63-E67 PolarHBondContact O-N 3.36Å |
| 64 | F | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.1 | -35.1 | -179.3 | -67.2 | -43.8 | 0 | 0 | 0 | 112.5 | L22 F23 M60 M61 D62 N68 V69 M71 V82 C84 I94 | L22-F64 HydrophobicContact CD1-CE1 4.5Å; F23-F64 HydrophobicContact CE2-CE1 4.23Å; F23-F64 AromaticContact CE2-CZ 3.89Å; F23-F64 HydrophobicContact CE2-CZ 3.89Å; F23-F64 HydrophobicContact CZ-CZ 4.16Å; M60-F64 HydrophobicContact CB-CD2 4.32Å; M60-F64 HydrophobicContact CB-CE2 4Å; M60-F64 WeakPolarHBondContact O-CB 3.32Å; M60-F64 WeakPolarHBondContact O-CD2 3.32Å; M60-F64 VanDerWaalsContact O-CG 3.26Å; M60-F64 WeakPolarHBondContact O-CG 3.29Å; M60-F64 PolarHBondContact O-N 3.43Å; M61-F64 PolarHBondContact O-N 3.42Å; D62-F64 PolarHBondContact O-N 3.05Å; F64-N68 PolarHBondContact O-N 3.27Å; F64-V69 HydrophobicContact CB-CB 4.06Å; F64-V69 HydrophobicContact CB-CG1 4.41Å; F64-V69 HydrophobicContact CD1-CB 3.85Å; F64-V69 HydrophobicContact CD1-CG1 3.75Å; F64-V69 HydrophobicContact CD1-CG2 4.34Å; F64-V69 HydrophobicContact CE1-CG1 4.37Å; F64-V69 HydrophobicContact CG-CB 4.31Å; F64-V69 HydrophobicContact CG-CG1 4.25Å; F64-V69 PolarHBondContact O-N 2.64Å; F64-M71 HydrophobicContact CB-CE 4.21Å; F64-M71 HydrophobicContact CB-CG 3.83Å; F64-M71 HydrophobicContact CB-SD 3.86Å; F64-M71 HydrophobicContact CD2-CG 3.87Å; F64-M71 HydrophobicContact CD2-SD 3.88Å; F64-M71 HydrophobicContact CG-CG 4.17Å; F64-M71 HydrophobicContact CG-SD 4.36Å; F64-V82 HydrophobicContact CD2-CG1 3.95Å; F64-V82 HydrophobicContact CE2-CG1 3.8Å; F64-C84 HydrophobicContact CD1-CB 4.27Å; F64-C84 HydrophobicContact CD2-CB 4.24Å; F64-C84 HydrophobicContact CE1-CB 3.93Å; F64-C84 HydrophobicContact CE2-CB 3.9Å; F64-C84 HydrophobicContact CG-CB 4.43Å; F64-C84 HydrophobicContact CZ-CB 3.75Å; F64-I94 HydrophobicContact CE2-CD1 4.38Å; F64-I94 HydrophobicContact CZ-CD1 3.7Å |
| 65 | N | 93.7 | Very high | 89.7 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 174 | -72.9 | -37.9 | 0 | 0 | 0 | 111.7 | M61 D62 M63 E67 N68 M71 | M61-N65 WeakPolarHBondContact O-CB 3.27Å; M61-N65 PolarHBondContact O-N 3.49Å; M61-N65 PolarHBondContact O-ND2 3.32Å; D62-N65 PolarHBondContact O-N 3.37Å; M63-N65 VanDerWaalsContact C-N 3.34Å; M63-N65 PolarHBondContact O-N 3.25Å; N65-E67 VanDerWaalsContact C-N 3.32Å; N65-E67 PolarHBondContact O-N 2.99Å; N65-N68 PolarHBondContact O-N 3.13Å; N65-M71 WeakPolarHBondContact OD1-CE 3.49Å |
| 66 | E | 95.5 | Very high | 88.1 | Confident | 131 Ų | 131 | 76 Ų | 76 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 178.3 | -173.7 | 177.9 | 168.9 | 0 | 0 | 111.7 | H26 D62 M63 N68 | H26-E66 IonicContact CE1-OE2 3.78Å; H26-E66 PolarHBondContact CE1-OE2 3.35Å; D62-E66 WeakPolarHBondContact O-CB 3.38Å; D62-E66 PolarHBondContact O-N 3.12Å; M63-E66 PolarHBondContact O-N 3.42Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 3.09Å |
| 67 | E | 94.9 | Very high | 86.7 | Confident | 39 Ų | 39 | 76.8 Ų | 76.8 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 5.4 | -178.5 | -56.1 | -71.5 | 155.7 | 0 | 0 | 113 | L22 K25 H26 M63 N65 V69 | L22-E67 HydrophobicContact CD2-CB 3.88Å; L22-E67 HydrophobicContact CD2-CG 3.72Å; K25-E67 WeakPolarHBondContact CD-OE1 3.15Å; K25-E67 WeakPolarHBondContact CE-OE1 3.27Å; K25-E67 IonicContact NZ-OE1 3.46Å; K25-E67 PolarHBondContact NZ-OE1 3.34Å; K25-E67 IonicContact NZ-OE2 2.61Å; K25-E67 PolarHBondContact NZ-OE2 3.32Å; H26-E67 IonicContact CD2-OE1 3.67Å; H26-E67 IonicContact CE1-OE1 3.21Å; H26-E67 IonicContact NE2-OE1 2.67Å; H26-E67 PolarHBondContact NE2-OE1 3.45Å; M63-E67 WeakPolarHBondContact O-CB 3.49Å; M63-E67 WeakPolarHBondContact O-CG 3.26Å; M63-E67 PolarHBondContact O-N 3.36Å; N65-E67 VanDerWaalsContact C-N 3.32Å; N65-E67 PolarHBondContact O-N 2.99Å; E67-V69 HydrophobicContact CB-CG2 4.12Å; E67-V69 PolarHBondContact O-N 2.98Å |
| 68 | N | 93.2 | Very high | 85.4 | Confident | 152 Ų | 152 | 84.9 Ų | 84.9 | 81% | 0.813 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 34.6 | -176.6 | -59 | -80.4 | 0 | 0 | 0 | 113.9 | F64 N65 E66 | F64-N68 PolarHBondContact O-N 3.27Å; N65-N68 PolarHBondContact O-N 3.13Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 3.09Å |
| 69 | V | 93.7 | Very high | 84.4 | Confident | 22 Ų | 22 | 84 Ų | 84 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 130.5 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | L22 F64 E67 M71 C84 I86 | L22-V69 HydrophobicContact CD1-CG2 3.78Å; F64-V69 HydrophobicContact CB-CB 4.06Å; F64-V69 HydrophobicContact CB-CG1 4.41Å; F64-V69 HydrophobicContact CD1-CB 3.85Å; F64-V69 HydrophobicContact CD1-CG1 3.75Å; F64-V69 HydrophobicContact CD1-CG2 4.34Å; F64-V69 HydrophobicContact CE1-CG1 4.37Å; F64-V69 HydrophobicContact CG-CB 4.31Å; F64-V69 HydrophobicContact CG-CG1 4.25Å; F64-V69 PolarHBondContact O-N 2.64Å; E67-V69 HydrophobicContact CB-CG2 4.12Å; E67-V69 PolarHBondContact O-N 2.98Å; V69-M71 PolarHBondContact O-N 2.86Å; V69-C84 HydrophobicContact CG1-CB 3.89Å; V69-I86 HydrophobicContact CG1-CD1 3.67Å; V69-I86 HydrophobicContact CG2-CD1 4.18Å |
| 70 | R | 92.7 | Very high | 83.9 | Confident | 140 Ų | 140 | 80.9 Ų | 80.9 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125.9 | 179 | -176.3 | 178.7 | 179.1 | -176.8 | 2.6 | 110.6 | C84 R85 D88 | R70-C84 CarbonylContact O-C 3.59Å; R70-R85 HydrophobicContact CB-CB 4.49Å; R70-R85 PolarHBondContact O-N 3.14Å; R70-D88 IonicContact NH1-OD1 2.68Å; R70-D88 PolarHBondContact NH1-OD1 2.85Å; R70-D88 VanDerWaalsContact NH1-OD1 3.07Å |
| 71 | M | 91.9 | Very high | 83.7 | Confident | 44 Ų | 44 | 82 Ų | 82 | 22% | 0.217 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 142.4 | 171 | -65.6 | 177.9 | -81.9 | 0 | 0 | 111.5 | M61 F64 N65 V69 V82 T83 | M61-M71 HydrophobicContact CB-CE 4.32Å; M61-M71 HydrophobicContact CB-SD 4.12Å; M61-M71 HydrophobicContact CG-CE 4.38Å; M61-M71 HydrophobicContact CG-SD 3.77Å; F64-M71 HydrophobicContact CB-CE 4.21Å; F64-M71 HydrophobicContact CB-CG 3.83Å; F64-M71 HydrophobicContact CB-SD 3.86Å; F64-M71 HydrophobicContact CD2-CG 3.87Å; F64-M71 HydrophobicContact CD2-SD 3.88Å; F64-M71 HydrophobicContact CG-CG 4.17Å; F64-M71 HydrophobicContact CG-SD 4.36Å; N65-M71 WeakPolarHBondContact OD1-CE 3.49Å; V69-M71 PolarHBondContact O-N 2.86Å; M71-V82 HydrophobicContact CG-CG1 4.34Å; M71-V82 HydrophobicContact SD-CG1 4.09Å; M71-T83 CarbonylContact C-O 3.45Å; M71-T83 WeakPolarHBondContact CA-O 3.41Å |
| 72 | L | 85 | Confident | 83.7 | Confident | 39 Ų | 39 | 80.3 Ų | 80.3 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.4 | 175.4 | -57.2 | 178.8 | 0 | 0 | 0 | 109.1 | T83 R85 N91 | L72-T83 HydrophobicContact CB-CG2 4.14Å; L72-T83 HydrophobicContact CD1-CG2 4.4Å; L72-T83 PolarHBondContact N-O 3.2Å; L72-R85 HydrophobicContact CD1-CB 4.1Å; L72-R85 HydrophobicContact CG-CB 4.24Å; L72-N91 HydrophobicContact CD1-CB 4.5Å; L72-N91 WeakPolarHBondContact CD1-OD1 3.45Å |
| 73 | N | 69.1 | Low | 83.7 | Confident | 130 Ų | 130 | 76.5 Ų | 76.5 | 70% | 0.695 | 36% | 0.36 | S | S | * | . | trans | 56.7 | 80.6 | 170.2 | -60.3 | -23.8 | 0 | 0 | 0 | 116.8 | R75 G76 | N73-R75 PolarHBondContact O-N 3Å; N73-G76 PolarHBondContact O-N 3.11Å | ||
| 74 | K | 63.8 | Low | 83.5 | Confident | 164 Ų | 164 | 76.4 Ų | 76.4 | 71% | 0.713 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 2.7 | 171.5 | -59.9 | -169.3 | 176.6 | -168.1 | 0 | 116.4 | E77 | K74-E77 VanDerWaalsContact CA-OE1 3.23Å; K74-E77 WeakPolarHBondContact CA-OE1 3.37Å; K74-E77 VanDerWaalsContact CB-OE1 3.3Å; K74-E77 WeakPolarHBondContact CB-OE1 3.47Å |
| 75 | R | 62.9 | Low | 83.5 | Confident | 228 Ų | 228 | 79.5 Ų | 79.5 | 86% | 0.86 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -22 | 179.1 | -67.1 | -171 | -172.7 | -170.7 | 3.9 | 112.9 | N73 E77 | N73-R75 PolarHBondContact O-N 3Å; R75-E77 VanDerWaalsContact C-N 3.25Å; R75-E77 PolarHBondContact O-N 3.35Å |
| 76 | G | 62.6 | Low | 83.4 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -70.4 | -20.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N73 K78 H79 G80 T81 | N73-G76 PolarHBondContact O-N 3.11Å; G76-K78 PolarHBondContact O-N 3.35Å; G76-K78 VanDerWaalsContact O-N 3.14Å; G76-H79 PolarHBondContact O-N 3.04Å; G76-G80 PolarHBondContact O-N 3Å; G76-T81 CarbonylContact C-O 3.58Å; G76-T81 WeakPolarHBondContact CA-O 3.47Å; G76-T81 PolarHBondContact O-N 3.1Å; G76-T81 VanDerWaalsContact O-N 3.14Å |
| 77 | E | 65.2 | Low | 83.1 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -56.5 | -33.9 | -176.5 | -65.6 | 164.2 | -152.7 | 0 | 0 | 112.5 | M61 K74 R75 H79 G80 T81 V82 | M61-E77 HydrophobicContact SD-CG 4.18Å; M61-E77 VanDerWaalsContact SD-OE1 3.32Å; K74-E77 VanDerWaalsContact CA-OE1 3.23Å; K74-E77 WeakPolarHBondContact CA-OE1 3.37Å; K74-E77 VanDerWaalsContact CB-OE1 3.3Å; K74-E77 WeakPolarHBondContact CB-OE1 3.47Å; R75-E77 VanDerWaalsContact C-N 3.25Å; R75-E77 PolarHBondContact O-N 3.35Å; E77-H79 PolarHBondContact O-N 3.07Å; E77-H79 VanDerWaalsContact O-N 3.16Å; E77-G80 PolarHBondContact O-N 3.02Å; E77-T81 PolarHBondContact N-O 3.26Å; E77-V82 HydrophobicContact CG-CG2 4.47Å |
| 78 | K | 66.2 | Low | 82.7 | Confident | 180 Ų | 180 | 77.2 Ų | 77.2 | 78% | 0.783 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -62.3 | -22.1 | 176.4 | -68.8 | -172.4 | 177.6 | -175.7 | 0 | 113.9 | G76 | G76-K78 PolarHBondContact O-N 3.35Å; G76-K78 VanDerWaalsContact O-N 3.14Å |
| 79 | H | 72.2 | Confident | 82.5 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -106.4 | 9.3 | 176.4 | -58.6 | -55.8 | 0 | 0 | 0 | 111.8 | G76 E77 R98 | G76-H79 PolarHBondContact O-N 3.04Å; E77-H79 PolarHBondContact O-N 3.07Å; E77-H79 VanDerWaalsContact O-N 3.16Å; H79-R98 PolarHBondContact O-NH1 3.11Å |
| 80 | G | 84.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 18.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G76 E77 T95 T96 | G76-G80 PolarHBondContact O-N 3Å; E77-G80 PolarHBondContact O-N 3.02Å; G80-T95 CarbonylContact O-C 3.58Å; G80-T95 WeakPolarHBondContact O-CA 3.45Å; G80-T96 PolarHBondContact O-N 2.92Å |
| 81 | T | 90.9 | Very high | 82.5 | Confident | 23 Ų | 23 | 71.7 Ų | 71.7 | 14% | 0.141 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.7 | -177.7 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | G76 E77 E93 I94 T95 | G76-T81 CarbonylContact C-O 3.58Å; G76-T81 WeakPolarHBondContact CA-O 3.47Å; G76-T81 PolarHBondContact O-N 3.1Å; G76-T81 VanDerWaalsContact O-N 3.14Å; E77-T81 PolarHBondContact N-O 3.26Å; T81-E93 HydrophobicContact CG2-CB 4.38Å; T81-I94 CarbonylContact C-O 3.45Å; T81-I94 WeakPolarHBondContact CA-O 3.35Å; T81-T95 PolarHBondContact OG1-OG1 3.27Å |
| 82 | V | 93.6 | Very high | 82.6 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.3 | 174.8 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | P57 M60 F64 M71 E77 I94 | P57-V82 HydrophobicContact CB-CG2 4.14Å; M60-V82 HydrophobicContact CB-CB 4.48Å; M60-V82 HydrophobicContact CB-CG2 4.28Å; M60-V82 HydrophobicContact CE-CB 4.08Å; M60-V82 HydrophobicContact CE-CG2 3.79Å; M60-V82 HydrophobicContact SD-CB 4.3Å; F64-V82 HydrophobicContact CD2-CG1 3.95Å; F64-V82 HydrophobicContact CE2-CG1 3.8Å; M71-V82 HydrophobicContact CG-CG1 4.34Å; M71-V82 HydrophobicContact SD-CG1 4.09Å; E77-V82 HydrophobicContact CG-CG2 4.47Å; V82-I94 PolarHBondContact N-O 3.33Å; V82-I94 PolarHBondContact O-N 3.48Å |
| 83 | T | 94 | Very high | 83 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.2 | 174.4 | -50.5 | 0 | 0 | 0 | 0 | 109.1 | M71 L72 N91 F92 E93 | M71-T83 CarbonylContact C-O 3.45Å; M71-T83 WeakPolarHBondContact CA-O 3.41Å; L72-T83 HydrophobicContact CB-CG2 4.14Å; L72-T83 HydrophobicContact CD1-CG2 4.4Å; L72-T83 PolarHBondContact N-O 3.2Å; T83-N91 HydrophobicContact CG2-CB 4.31Å; T83-F92 VanDerWaalsContact CA-O 3.25Å; T83-F92 WeakPolarHBondContact CA-O 3.43Å; T83-E93 HydrophobicContact CG2-CG 4.26Å |
| 84 | C | 93.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 154.7 | 172.5 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | F64 V69 R70 N91 F92 | F64-C84 HydrophobicContact CD1-CB 4.27Å; F64-C84 HydrophobicContact CD2-CB 4.24Å; F64-C84 HydrophobicContact CE1-CB 3.93Å; F64-C84 HydrophobicContact CE2-CB 3.9Å; F64-C84 HydrophobicContact CG-CB 4.43Å; F64-C84 HydrophobicContact CZ-CB 3.75Å; V69-C84 HydrophobicContact CG1-CB 3.89Å; R70-C84 CarbonylContact O-C 3.59Å; C84-N91 CarbonylContact O-C 3.56Å; C84-N91 WeakPolarHBondContact O-CA 3.41Å; C84-F92 PolarHBondContact N-O 3.29Å; C84-F92 PolarHBondContact O-N 3.18Å |
| 85 | R | 94.1 | Very high | 85.7 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117.8 | 173.2 | -174.5 | 176.5 | -173.7 | 79.7 | 3.7 | 109 | R70 L72 D88 A89 E90 N91 | R70-R85 HydrophobicContact CB-CB 4.49Å; R70-R85 PolarHBondContact O-N 3.14Å; L72-R85 HydrophobicContact CD1-CB 4.1Å; L72-R85 HydrophobicContact CG-CB 4.24Å; R85-D88 VanDerWaalsContact CZ-O 3.3Å; R85-D88 VanDerWaalsContact NE-C 3.26Å; R85-D88 PolarHBondContact NE-O 2.98Å; R85-D88 IonicContact NE-OD1 2.84Å; R85-D88 PolarHBondContact NH2-O 3.29Å; R85-A89 PolarHBondContact NH2-O 3.24Å; R85-E90 VanDerWaalsContact CA-O 3.31Å; R85-E90 WeakPolarHBondContact CA-O 3.44Å; R85-N91 VanDerWaalsContact CG-OD1 3.31Å; R85-N91 WeakPolarHBondContact CG-OD1 3.48Å; R85-N91 PolarHBondContact NH1-OD1 3.41Å |
| 86 | I | 92.9 | Very high | 87.3 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 135.6 | -179.1 | -55 | -60.3 | 0 | 0 | 0 | 109.4 | E15 E18 V19 L22 V69 D88 A89 E90 F92 | E15-I86 HydrophobicContact CB-CB 4.09Å; E15-I86 HydrophobicContact CB-CG2 4.08Å; E15-I86 HydrophobicContact CG-CB 4.25Å; E15-I86 HydrophobicContact CG-CG2 4.14Å; E18-I86 HydrophobicContact CB-CG2 4.01Å; E18-I86 HydrophobicContact CG-CG2 3.88Å; V19-I86 HydrophobicContact CG2-CD1 4.03Å; V19-I86 HydrophobicContact CG2-CG1 3.6Å; L22-I86 HydrophobicContact CD1-CD1 4.26Å; V69-I86 HydrophobicContact CG1-CD1 3.67Å; V69-I86 HydrophobicContact CG2-CD1 4.18Å; I86-D88 PolarHBondContact O-N 3.24Å; I86-A89 PolarHBondContact O-N 2.88Å; I86-E90 PolarHBondContact N-O 3.27Å; I86-E90 PolarHBondContact O-N 2.97Å; I86-F92 HydrophobicContact CB-CE2 4.24Å; I86-F92 HydrophobicContact CG1-CD2 3.95Å; I86-F92 HydrophobicContact CG1-CE2 3.87Å |
| 87 | N | 88.3 | Confident | 88.9 | Confident | 113 Ų | 113 | 48.2 Ų | 48.2 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 23.5 | 179.1 | -59.3 | -26.6 | 0 | 0 | 0 | 115 | E15 A89 | E15-N87 HydrophobicContact CG-CB 4.45Å; E15-N87 PolarHBondContact OE1-ND2 3.11Å; E15-N87 VanDerWaalsContact OE1-ND2 3.12Å; N87-A89 HydrophobicContact CB-CB 4.47Å; N87-A89 PolarHBondContact O-N 3.35Å |
| 88 | D | 85.7 | Confident | 90.2 | Very high | 101 Ų | 101 | 48 Ų | 48 | 54% | 0.54 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 26.7 | -169.1 | -83.6 | -46.1 | 0 | 0 | 0 | 114 | R70 R85 I86 | R70-D88 IonicContact NH1-OD1 2.68Å; R70-D88 PolarHBondContact NH1-OD1 2.85Å; R70-D88 VanDerWaalsContact NH1-OD1 3.07Å; R85-D88 VanDerWaalsContact CZ-O 3.3Å; R85-D88 VanDerWaalsContact NE-C 3.26Å; R85-D88 PolarHBondContact NE-O 2.98Å; R85-D88 IonicContact NE-OD1 2.84Å; R85-D88 PolarHBondContact NH2-O 3.29Å; I86-D88 PolarHBondContact O-N 3.24Å |
| 89 | A | 90.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 50% | 0.496 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -61.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E15 R85 I86 N87 | E15-A89 HydrophobicContact CG-CB 4.31Å; R85-A89 PolarHBondContact NH2-O 3.24Å; I86-A89 PolarHBondContact O-N 2.88Å; N87-A89 HydrophobicContact CB-CB 4.47Å; N87-A89 PolarHBondContact O-N 3.35Å |
| 90 | E | 92.3 | Very high | 91.5 | Very high | 60 Ų | 60 | 39 Ų | 39 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 146.4 | -170.8 | -165.4 | 169 | -170.6 | 0 | 0 | 111.7 | T13 E15 R85 I86 F92 | T13-E90 PolarHBondContact OG1-OE2 3.13Å; E15-E90 HydrophobicContact CB-CB 3.96Å; E15-E90 HydrophobicContact CG-CB 3.95Å; R85-E90 VanDerWaalsContact CA-O 3.31Å; R85-E90 WeakPolarHBondContact CA-O 3.44Å; I86-E90 PolarHBondContact N-O 3.27Å; I86-E90 PolarHBondContact O-N 2.97Å; E90-F92 HydrophobicContact CB-CE2 4.04Å; E90-F92 HydrophobicContact CB-CZ 4.02Å; E90-F92 HydrophobicContact CG-CE1 4.03Å; E90-F92 HydrophobicContact CG-CE2 4Å; E90-F92 HydrophobicContact CG-CZ 3.59Å; E90-F92 WeakPolarHBondContact OE2-CZ 3.27Å |
| 91 | N | 93.1 | Very high | 90.7 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 138.2 | 177.3 | -62.7 | -25.8 | 0 | 0 | 0 | 109.7 | L72 T83 C84 R85 | L72-N91 HydrophobicContact CD1-CB 4.5Å; L72-N91 WeakPolarHBondContact CD1-OD1 3.45Å; T83-N91 HydrophobicContact CG2-CB 4.31Å; C84-N91 CarbonylContact O-C 3.56Å; C84-N91 WeakPolarHBondContact O-CA 3.41Å; R85-N91 VanDerWaalsContact CG-OD1 3.31Å; R85-N91 WeakPolarHBondContact CG-OD1 3.48Å; R85-N91 PolarHBondContact NH1-OD1 3.41Å |
| 92 | F | 93.9 | Very high | 89.3 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.4 | 175.4 | -58.5 | -80 | 0 | 0 | 0 | 110.7 | E15 L16 V19 L51 T83 C84 I86 E90 I94 | E15-F92 HydrophobicContact CB-CE2 3.85Å; E15-F92 HydrophobicContact CB-CZ 3.85Å; L16-F92 HydrophobicContact CB-CE1 3.79Å; L16-F92 HydrophobicContact CB-CZ 3.79Å; L16-F92 HydrophobicContact CD1-CD1 3.85Å; L16-F92 HydrophobicContact CD1-CE1 3.57Å; L16-F92 HydrophobicContact CD1-CZ 4.26Å; L16-F92 HydrophobicContact CG-CE1 4.22Å; V19-F92 HydrophobicContact CG2-CB 4.5Å; V19-F92 HydrophobicContact CG2-CD2 3.44Å; V19-F92 VanDerWaalsContact CG2-CD2 3.44Å; V19-F92 HydrophobicContact CG2-CE2 3.72Å; V19-F92 HydrophobicContact CG2-CG 3.97Å; V19-F92 HydrophobicContact CG2-CZ 4.46Å; L51-F92 HydrophobicContact CD1-CB 4.12Å; L51-F92 HydrophobicContact CD1-CD1 4.25Å; L51-F92 HydrophobicContact CD1-CG 4.44Å; T83-F92 VanDerWaalsContact CA-O 3.25Å; T83-F92 WeakPolarHBondContact CA-O 3.43Å; C84-F92 PolarHBondContact N-O 3.29Å; C84-F92 PolarHBondContact O-N 3.18Å; I86-F92 HydrophobicContact CB-CE2 4.24Å; I86-F92 HydrophobicContact CG1-CD2 3.95Å; I86-F92 HydrophobicContact CG1-CE2 3.87Å; E90-F92 HydrophobicContact CB-CE2 4.04Å; E90-F92 HydrophobicContact CB-CZ 4.02Å; E90-F92 HydrophobicContact CG-CE1 4.03Å; E90-F92 HydrophobicContact CG-CE2 4Å; E90-F92 HydrophobicContact CG-CZ 3.59Å; E90-F92 WeakPolarHBondContact OE2-CZ 3.27Å; F92-I94 HydrophobicContact CB-CG1 4.44Å |
| 93 | E | 94 | Very high | 87.2 | Confident | 104 Ų | 104 | 49.6 Ų | 49.6 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.9 | 171.2 | -63.7 | -164.5 | 171.2 | 0 | 0 | 109.4 | L51 T81 T83 | L51-E93 PolarHBondContact N-O 2.87Å; T81-E93 HydrophobicContact CG2-CB 4.38Å; T83-E93 HydrophobicContact CG2-CG 4.26Å |
| 94 | I | 95.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.1 | -177.1 | -54.9 | 158.2 | 0 | 0 | 0 | 108.5 | V19 F23 I30 L51 T53 M60 F64 T81 V82 F92 | V19-I94 HydrophobicContact CG1-CD1 4.03Å; F23-I94 HydrophobicContact CE1-CG2 4.37Å; F23-I94 HydrophobicContact CE2-CD1 3.73Å; F23-I94 HydrophobicContact CZ-CD1 3.85Å; F23-I94 HydrophobicContact CZ-CG2 3.87Å; I30-I94 HydrophobicContact CD1-CG2 4.31Å; L51-I94 HydrophobicContact CB-CB 4.37Å; L51-I94 HydrophobicContact CB-CG1 3.9Å; L51-I94 HydrophobicContact CB-CG2 4.31Å; L51-I94 HydrophobicContact CD1-CG1 3.91Å; L51-I94 HydrophobicContact CG-CG1 4.49Å; L51-I94 WeakPolarHBondContact O-CA 3.45Å; T53-I94 HydrophobicContact CG2-CG2 3.53Å; M60-I94 HydrophobicContact SD-CB 4.01Å; M60-I94 HydrophobicContact SD-CG2 3.53Å; M60-I94 VanDerWaalsContact SD-CG2 3.53Å; F64-I94 HydrophobicContact CE2-CD1 4.38Å; F64-I94 HydrophobicContact CZ-CD1 3.7Å; T81-I94 CarbonylContact C-O 3.45Å; T81-I94 WeakPolarHBondContact CA-O 3.35Å; V82-I94 PolarHBondContact N-O 3.33Å; V82-I94 PolarHBondContact O-N 3.48Å; F92-I94 HydrophobicContact CB-CG1 4.44Å |
| 95 | T | 95.1 | Very high | 83 | Confident | 27 Ų | 27 | 59 Ų | 59 | 17% | 0.166 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.8 | -177.3 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | L51 A52 T53 G80 T81 R98 | L51-T95 PolarHBondContact O-N 3.3Å; A52-T95 VanDerWaalsContact CA-O 3.28Å; A52-T95 WeakPolarHBondContact CA-O 3.46Å; T53-T95 PolarHBondContact N-O 3.1Å; G80-T95 CarbonylContact O-C 3.58Å; G80-T95 WeakPolarHBondContact O-CA 3.45Å; T81-T95 PolarHBondContact OG1-OG1 3.27Å; T95-R98 VanDerWaalsContact CG2-NH1 3.29Å |
| 96 | T | 96 | Very high | 80.9 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 136.9 | 170.9 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | T53 A55 P57 M60 G80 R98 F112 | T53-T96 WeakPolarHBondContact O-CA 3.29Å; A55-T96 WeakPolarHBondContact O-CB 3.23Å; A55-T96 WeakPolarHBondContact O-CG2 3.35Å; A55-T96 PolarHBondContact O-OG1 3.23Å; P57-T96 VanDerWaalsContact CD-OG1 3.3Å; P57-T96 WeakPolarHBondContact CD-OG1 3.36Å; M60-T96 VanDerWaalsContact CE-OG1 3.27Å; M60-T96 WeakPolarHBondContact CE-OG1 3.33Å; G80-T96 PolarHBondContact O-N 2.92Å; T96-R98 PolarHBondContact O-N 3.11Å; T96-F112 HydrophobicContact CG2-CB 3.89Å; T96-F112 HydrophobicContact CG2-CD1 3.53Å; T96-F112 HydrophobicContact CG2-CE1 4.28Å; T96-F112 HydrophobicContact CG2-CG 3.79Å |
| 97 | L | 96.2 | Very high | 78.8 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | trans | -55.6 | 134.5 | 171.8 | -59.5 | 176.6 | 0 | 0 | 0 | 109.9 | A52 T53 T54 F112 T113 W116 D119 F131 | A52-L97 HydrophobicContact CB-CD2 3.96Å; T53-L97 WeakPolarHBondContact O-CG 3.45Å; T53-L97 PolarHBondContact O-N 3.25Å; T54-L97 HydrophobicContact CG2-CD1 4.01Å; L97-F112 WeakPolarHBondContact O-CA 3.47Å; L97-T113 HydrophobicContact CB-CG2 3.88Å; L97-T113 WeakPolarHBondContact CB-O 3.41Å; L97-T113 PolarHBondContact O-N 3.17Å; L97-W116 HydrophobicContact CD1-CD2 3.66Å; L97-W116 HydrophobicContact CD1-CE3 4.01Å; L97-W116 HydrophobicContact CD1-CG 3.94Å; L97-W116 HydrophobicContact CD1-CZ2 4.25Å; L97-W116 HydrophobicContact CD1-CZ3 4.44Å; L97-W116 HydrophobicContact CD2-CD2 4.15Å; L97-W116 HydrophobicContact CD2-CE3 3.6Å; L97-W116 HydrophobicContact CD2-CH2 4.31Å; L97-W116 HydrophobicContact CD2-CZ3 3.7Å; L97-W116 HydrophobicContact CG-CD2 4.5Å; L97-W116 HydrophobicContact CG-CE3 4.38Å; L97-W116 HydrophobicContact CG-CZ3 4.49Å; L97-D119 WeakPolarHBondContact CA-OD1 3.19Å; L97-D119 HydrophobicContact CB-CB 4.04Å; L97-D119 HydrophobicContact CD2-CB 3.57Å; L97-D119 HydrophobicContact CG-CB 4.31Å; L97-F131 HydrophobicContact CD2-CE1 4.37Å; L97-F131 HydrophobicContact CD2-CZ 4.41Å | ||
| 98 | R | 91.9 | Very high | 77.3 | Confident | 50 Ų | 50 | 74 Ų | 74 | 19% | 0.189 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 160.5 | -172.5 | 67.6 | -171.2 | -170.7 | -131.1 | -8.1 | 113.1 | H79 T95 T96 V110 E111 F112 D119 R122 | H79-R98 PolarHBondContact O-NH1 3.11Å; T95-R98 VanDerWaalsContact CG2-NH1 3.29Å; T96-R98 PolarHBondContact O-N 3.11Å; R98-V110 HydrophobicContact CB-CB 4.31Å; R98-E111 CarbonylContact C-O 3.55Å; R98-E111 WeakPolarHBondContact CA-O 3.2Å; R98-F112 HydrophobicContact CB-CD1 4.28Å; R98-D119 PolarHBondContact N-OD1 3.5Å; R98-R122 VanDerWaalsContact CG-NE 3.26Å; R98-R122 WeakPolarHBondContact O-CD 3.46Å; R98-R122 PolarHBondContact O-NE 3.23Å; R98-R122 VanDerWaalsContact O-NE 3.08Å |
| 99 | V | 86.3 | Confident | 76.6 | Confident | 45 Ų | 45 | 76 Ų | 76 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.7 | 169.7 | -164.1 | 0 | 0 | 0 | 0 | 107 | V101 V110 E111 T113 V118 | V99-V101 PolarHBondContact O-N 3.33Å; V99-V110 WeakPolarHBondContact O-CA 3.47Å; V99-E111 HydrophobicContact CB-CB 4.47Å; V99-E111 PolarHBondContact N-O 3.15Å; V99-E111 PolarHBondContact O-N 2.64Å; V99-T113 HydrophobicContact CG2-CG2 4.04Å; V99-V118 HydrophobicContact CB-CG1 4.41Å; V99-V118 HydrophobicContact CG1-CG1 4.26Å; V99-V118 HydrophobicContact CG2-CG1 3.44Å; V99-V118 VanDerWaalsContact CG2-CG1 3.44Å |
| 100 | D | 78.6 | Confident | 76.1 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 34% | 0.342 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 114.7 | 174.2 | -62 | -39.3 | 0 | 0 | 0 | 108 | ||
| 101 | V | 69.5 | Low | 75.9 | Confident | 49 Ų | 49 | 77.6 Ų | 77.6 | 30% | 0.297 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 134.1 | 173.8 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | V99 C103 E109 E111 | V99-V101 PolarHBondContact O-N 3.33Å; V101-C103 PolarHBondContact O-N 3.04Å; V101-E109 PolarHBondContact N-O 2.99Å; V101-E111 HydrophobicContact CG2-CB 4.09Å; V101-E111 HydrophobicContact CG2-CG 3.6Å |
| 102 | V | 60.8 | Low | 75.9 | Confident | 141 Ų | 141 | 78 Ų | 78 | 86% | 0.855 | 41% | 0.405 | S | S | * | . | trans | -38.5 | 124.7 | -166.6 | 178.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 103 | C | 49 | Very low | 75.8 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 42% | 0.419 | 41% | 0.413 | S | S | . | . | trans | -92.3 | 113.3 | -177.6 | -41.3 | 0 | 0 | 0 | 0 | 110.9 | V101 G105 R107 A108 | V101-C103 PolarHBondContact O-N 3.04Å; C103-G105 PolarHBondContact O-N 3.15Å; C103-R107 WeakPolarHBondContact CA-O 3.33Å; C103-R107 WeakPolarHBondContact CB-O 3.5Å; C103-A108 WeakPolarHBondContact SG-CA 3.26Å; C103-A108 WeakPolarHBondContact SG-CB 3.3Å | ||
| 104 | D | 52.1 | Low | 75.9 | Confident | 134 Ų | 134 | 79.2 Ų | 79.2 | 72% | 0.717 | 42% | 0.42 | S | S | * | . | trans | -52.9 | 126.3 | 141.8 | 162.6 | -31.4 | 0 | 0 | 0 | 105.8 | R106 R107 | D104-R106 PolarHBondContact O-N 3.22Å; D104-R107 PolarHBondContact O-N 3.36Å | ||
| 105 | G | 47.9 | Very low | 75.9 | Confident | 79 Ų | 79 | 82.8 Ų | 82.8 | 81% | 0.814 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 23.3 | -158.8 | 0 | 0 | 0 | 0 | 0 | 118 | C103 | C103-G105 PolarHBondContact O-N 3.15Š|
| 106 | R | 49.5 | Very low | 76 | Confident | 235 Ų | 235 | 82.1 Ų | 82.1 | 89% | 0.887 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.7 | -9 | 171.4 | -65.5 | -175.7 | 177.5 | 178.8 | -0.2 | 114.8 | D104 | D104-R106 PolarHBondContact O-N 3.22Š|
| 107 | R | 49.1 | Very low | 76 | Confident | 207 Ų | 207 | 86.6 Ų | 86.6 | 78% | 0.781 | 46% | 0.455 | S | S | * | . | trans | -145.8 | 120 | 175.4 | -70.2 | -176.2 | 178.6 | 165.7 | 0.2 | 111.1 | C103 D104 | C103-R107 WeakPolarHBondContact CA-O 3.33Å; C103-R107 WeakPolarHBondContact CB-O 3.5Å; D104-R107 PolarHBondContact O-N 3.36Å | ||
| 108 | A | 56.1 | Low | 75.8 | Confident | 55 Ų | 55 | 89 Ų | 89 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | trans | -85 | 114.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | C103 | C103-A108 WeakPolarHBondContact SG-CA 3.26Å; C103-A108 WeakPolarHBondContact SG-CB 3.3Å | ||
| 109 | E | 71.4 | Confident | 75.9 | Confident | 142 Ų | 142 | 86.7 Ų | 86.7 | 66% | 0.664 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 131.1 | 163.4 | -69.6 | -173.7 | 175.6 | 0 | 0 | 107.3 | V101 | V101-E109 PolarHBondContact N-O 2.99Å |
| 110 | V | 80.8 | Confident | 76.3 | Confident | 33 Ų | 33 | 84.5 Ų | 84.5 | 20% | 0.2 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.6 | 178.9 | -62.9 | 0 | 0 | 0 | 0 | 108.1 | R98 V99 F112 | R98-V110 HydrophobicContact CB-CB 4.31Å; V99-V110 WeakPolarHBondContact O-CA 3.47Å; V110-F112 HydrophobicContact CG2-CE1 4.12Å; V110-F112 HydrophobicContact CG2-CZ 4.45Å |
| 111 | E | 88 | Confident | 77 | Confident | 121 Ų | 121 | 85.5 Ų | 85.5 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128 | 170 | -78.3 | 179.8 | -173.6 | 0 | 0 | 108.6 | R98 V99 V101 | R98-E111 CarbonylContact C-O 3.55Å; R98-E111 WeakPolarHBondContact CA-O 3.2Å; V99-E111 HydrophobicContact CB-CB 4.47Å; V99-E111 PolarHBondContact N-O 3.15Å; V99-E111 PolarHBondContact O-N 2.64Å; V101-E111 HydrophobicContact CG2-CB 4.09Å; V101-E111 HydrophobicContact CG2-CG 3.6Å |
| 112 | F | 91.8 | Very high | 77.9 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 38% | 0.377 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 139.9 | 175.1 | -58.6 | -49.6 | 0 | 0 | 0 | 110.2 | T56 P57 T96 L97 R98 V110 | T56-F112 HydrophobicContact CG2-CD2 4.42Å; P57-F112 HydrophobicContact CG-CE1 4.17Å; P57-F112 HydrophobicContact CG-CE2 3.95Å; P57-F112 HydrophobicContact CG-CZ 3.57Å; T96-F112 HydrophobicContact CG2-CB 3.89Å; T96-F112 HydrophobicContact CG2-CD1 3.53Å; T96-F112 HydrophobicContact CG2-CE1 4.28Å; T96-F112 HydrophobicContact CG2-CG 3.79Å; L97-F112 WeakPolarHBondContact O-CA 3.47Å; R98-F112 HydrophobicContact CB-CD1 4.28Å; V110-F112 HydrophobicContact CG2-CE1 4.12Å; V110-F112 HydrophobicContact CG2-CZ 4.45Å |
| 113 | T | 93.2 | Very high | 79.4 | Confident | 30 Ų | 30 | 79.9 Ų | 79.9 | 18% | 0.184 | 41% | 0.412 | C | S | . | . | trans | -128.7 | 162.5 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | L97 V99 D115 V118 | L97-T113 HydrophobicContact CB-CG2 3.88Å; L97-T113 WeakPolarHBondContact CB-O 3.41Å; L97-T113 PolarHBondContact O-N 3.17Å; V99-T113 HydrophobicContact CG2-CG2 4.04Å; T113-D115 PolarHBondContact OG1-N 2.71Å; T113-V118 HydrophobicContact CG2-CB 4.45Å | ||
| 114 | T | 95 | Very high | 81.4 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 63% | 0.632 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -106 | 1.4 | 166.5 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | T54 | T54-T114 HydrophobicContact CG2-CG2 4.41Š|
| 115 | D | 96.1 | Very high | 83.5 | Confident | 76 Ų | 76 | 71 Ų | 71 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | trans | -90.3 | 108.9 | 179.6 | -168.6 | -24.8 | 0 | 0 | 0 | 111.5 | T113 M117 V118 D119 | T113-D115 PolarHBondContact OG1-N 2.71Å; D115-M117 VanDerWaalsContact C-N 3.31Å; D115-M117 PolarHBondContact O-N 3.06Å; D115-M117 WeakPolarHBondContact OD1-CB 3.4Å; D115-M117 PolarHBondContact OD1-N 3.26Å; D115-V118 HydrophobicContact CB-CB 4.14Å; D115-V118 HydrophobicContact CB-CG2 3.79Å; D115-V118 PolarHBondContact O-N 3.4Å; D115-V118 PolarHBondContact OD1-N 3.36Å; D115-D119 PolarHBondContact O-N 3.13Å | ||
| 116 | W | 96.6 | Very high | 85.8 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 5% | 0.045 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -35.2 | 176.9 | -67.1 | 92.6 | 0 | 0 | 0 | 113.7 | E29 R31 A52 T54 L97 V118 D119 A120 F131 Y141 | E29-W116 HydrophobicContact CB-CZ2 3.88Å; E29-W116 PolarHBondContact OE2-NE1 2.9Å; R31-W116 HydrophobicContact CB-CH2 3.56Å; R31-W116 HydrophobicContact CB-CZ2 4.41Å; R31-W116 HydrophobicContact CB-CZ3 3.74Å; R31-W116 HydrophobicContact CG-CH2 3.41Å; R31-W116 VanDerWaalsContact CG-CH2 3.41Å; R31-W116 HydrophobicContact CG-CZ2 3.77Å; R31-W116 HydrophobicContact CG-CZ3 3.89Å; R31-W116 VanDerWaalsContact CZ-CE2 3.41Å; A52-W116 HydrophobicContact CB-CH2 4.24Å; A52-W116 HydrophobicContact CB-CZ3 3.79Å; A52-W116 WeakPolarHBondContact O-CH2 2.83Å; T54-W116 HydrophobicContact CG2-CZ2 4.33Å; L97-W116 HydrophobicContact CD1-CD2 3.66Å; L97-W116 HydrophobicContact CD1-CE3 4.01Å; L97-W116 HydrophobicContact CD1-CG 3.94Å; L97-W116 HydrophobicContact CD1-CZ2 4.25Å; L97-W116 HydrophobicContact CD1-CZ3 4.44Å; L97-W116 HydrophobicContact CD2-CD2 4.15Å; L97-W116 HydrophobicContact CD2-CE3 3.6Å; L97-W116 HydrophobicContact CD2-CH2 4.31Å; L97-W116 HydrophobicContact CD2-CZ3 3.7Å; L97-W116 HydrophobicContact CG-CD2 4.5Å; L97-W116 HydrophobicContact CG-CE3 4.38Å; L97-W116 HydrophobicContact CG-CZ3 4.49Å; W116-V118 VanDerWaalsContact C-N 3.31Å; W116-D119 PolarHBondContact O-N 2.69Å; W116-A120 WeakPolarHBondContact O-CB 3.25Å; W116-A120 PolarHBondContact O-N 2.69Å; W116-F131 HydrophobicContact CB-CE2 4.25Å; W116-F131 HydrophobicContact CE3-CB 4.41Å; W116-F131 AromaticContact CE3-CD1 3.67Å; W116-F131 HydrophobicContact CE3-CD1 3.67Å; W116-F131 AromaticContact CE3-CD2 3.79Å; W116-F131 HydrophobicContact CE3-CD2 3.79Å; W116-F131 AromaticContact CE3-CE1 3.72Å; W116-F131 HydrophobicContact CE3-CE1 3.72Å; W116-F131 AromaticContact CE3-CE2 3.81Å; W116-F131 HydrophobicContact CE3-CE2 3.81Å; W116-F131 AromaticContact CE3-CG 3.69Å; W116-F131 HydrophobicContact CE3-CG 3.69Å; W116-F131 AromaticContact CE3-CZ 3.79Å; W116-F131 HydrophobicContact CE3-CZ 3.79Å; W116-F131 HydrophobicContact CZ3-CB 4.43Å; W116-F131 AromaticContact CZ3-CD1 3.56Å; W116-F131 HydrophobicContact CZ3-CD1 3.56Å; W116-F131 HydrophobicContact CZ3-CD2 4.46Å; W116-F131 AromaticContact CZ3-CE1 3.81Å; W116-F131 HydrophobicContact CZ3-CE1 3.81Å; W116-F131 AromaticContact CZ3-CG 3.91Å; W116-F131 HydrophobicContact CZ3-CG 3.91Å; W116-F131 HydrophobicContact CZ3-CZ 4.36Å; W116-F131 WeakPolarHBondContact O-CE2 3.35Å; W116-Y141 HydrophobicContact CB-CE2 4.01Å; W116-Y141 VanDerWaalsContact CB-OH 3.25Å; W116-Y141 WeakPolarHBondContact CB-OH 3.46Å |
| 117 | M | 95.5 | Very high | 88.1 | Confident | 94 Ų | 94 | 56.4 Ų | 56.4 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 179.8 | -174.4 | 178.9 | -175.3 | 0 | 0 | 110.5 | D115 A120 N121 Y141 | D115-M117 VanDerWaalsContact C-N 3.31Å; D115-M117 PolarHBondContact O-N 3.06Å; D115-M117 WeakPolarHBondContact OD1-CB 3.4Å; D115-M117 PolarHBondContact OD1-N 3.26Å; M117-A120 PolarHBondContact O-N 2.99Å; M117-N121 WeakPolarHBondContact O-CB 3.32Å; M117-N121 PolarHBondContact O-N 3.25Å; M117-Y141 HydrophobicContact CB-CD1 3.86Å; M117-Y141 HydrophobicContact CB-CE1 4.02Å; M117-Y141 HydrophobicContact CB-CG 4.18Å; M117-Y141 HydrophobicContact CG-CD1 3.86Å; M117-Y141 HydrophobicContact CG-CG 4.04Å; M117-Y141 HydrophobicContact SD-CD1 4.47Å |
| 118 | V | 93.5 | Very high | 90.3 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | V99 T113 D115 W116 N121 R122 | V99-V118 HydrophobicContact CB-CG1 4.41Å; V99-V118 HydrophobicContact CG1-CG1 4.26Å; V99-V118 HydrophobicContact CG2-CG1 3.44Å; V99-V118 VanDerWaalsContact CG2-CG1 3.44Å; T113-V118 HydrophobicContact CG2-CB 4.45Å; D115-V118 HydrophobicContact CB-CB 4.14Å; D115-V118 HydrophobicContact CB-CG2 3.79Å; D115-V118 PolarHBondContact O-N 3.4Å; D115-V118 PolarHBondContact OD1-N 3.36Å; W116-V118 VanDerWaalsContact C-N 3.31Å; V118-N121 WeakPolarHBondContact O-CB 3.32Å; V118-N121 PolarHBondContact O-N 3.12Å; V118-R122 PolarHBondContact O-N 2.86Å |
| 119 | D | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 173.7 | -171.6 | 81 | 0 | 0 | 0 | 112 | L97 R98 D115 W116 N121 R122 R123 F131 | L97-D119 WeakPolarHBondContact CA-OD1 3.19Å; L97-D119 HydrophobicContact CB-CB 4.04Å; L97-D119 HydrophobicContact CD2-CB 3.57Å; L97-D119 HydrophobicContact CG-CB 4.31Å; R98-D119 PolarHBondContact N-OD1 3.5Å; D115-D119 PolarHBondContact O-N 3.13Å; W116-D119 PolarHBondContact O-N 2.69Å; D119-N121 VanDerWaalsContact C-N 3.28Å; D119-N121 PolarHBondContact O-N 3.39Å; D119-R122 WeakPolarHBondContact O-CG 3.45Å; D119-R122 PolarHBondContact O-N 3.46Å; D119-R122 IonicContact OD1-CZ 2.67Å; D119-R122 IonicContact OD1-NE 3.13Å; D119-R122 PolarHBondContact OD1-NE 2.86Å; D119-R122 IonicContact OD1-NH2 2.8Å; D119-R122 PolarHBondContact OD1-NH2 3.27Å; D119-R122 IonicContact OD2-NH2 3.37Å; D119-R122 PolarHBondContact OD2-NH2 3.01Å; D119-R123 WeakPolarHBondContact O-CG 3.44Å; D119-R123 IonicContact OD2-CZ 3.59Å; D119-R123 IonicContact OD2-NE 3.55Å; D119-R123 PolarHBondContact OD2-NE 2.79Å; D119-R123 IonicContact OD2-NH2 2.71Å; D119-R123 PolarHBondContact OD2-NH2 3.2Å; D119-F131 HydrophobicContact CB-CZ 4.21Å; D119-F131 WeakPolarHBondContact OD2-CZ 3.49Å |
| 120 | A | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | W116 M117 R122 R123 A129 F131 Y141 F142 | W116-A120 WeakPolarHBondContact O-CB 3.25Å; W116-A120 PolarHBondContact O-N 2.69Å; M117-A120 PolarHBondContact O-N 2.99Å; A120-R122 VanDerWaalsContact C-N 3.31Å; A120-R122 PolarHBondContact O-N 2.86Å; A120-R123 WeakPolarHBondContact O-CB 3.19Å; A120-R123 PolarHBondContact O-N 3.29Å; A120-R123 VanDerWaalsContact O-N 3.1Å; A120-A129 HydrophobicContact CB-CB 4.39Å; A120-A129 VanDerWaalsContact CB-O 3.26Å; A120-A129 WeakPolarHBondContact CB-O 3.17Å; A120-F131 HydrophobicContact CB-CE2 3.77Å; A120-F131 HydrophobicContact CB-CZ 4.22Å; A120-Y141 HydrophobicContact CB-CD2 3.67Å; A120-Y141 HydrophobicContact CB-CE2 4.38Å; A120-Y141 HydrophobicContact CB-CG 4.47Å; A120-F142 VanDerWaalsContact C-CE2 3.49Å; A120-F142 HydrophobicContact CB-CD2 3.98Å; A120-F142 HydrophobicContact CB-CE2 3.56Å |
| 121 | N | 92.7 | Very high | 94.2 | Very high | 84 Ų | 84 | 35.9 Ų | 35.9 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.5 | -35.1 | -179.2 | -165.1 | 49.7 | 0 | 0 | 0 | 112.7 | M117 V118 D119 R123 F142 R162 | M117-N121 WeakPolarHBondContact O-CB 3.32Å; M117-N121 PolarHBondContact O-N 3.25Å; V118-N121 WeakPolarHBondContact O-CB 3.32Å; V118-N121 PolarHBondContact O-N 3.12Å; D119-N121 VanDerWaalsContact C-N 3.28Å; D119-N121 PolarHBondContact O-N 3.39Å; N121-R123 VanDerWaalsContact C-N 3.27Å; N121-R123 PolarHBondContact O-N 3.48Å; N121-F142 HydrophobicContact CB-CE2 4.1Å; N121-F142 HydrophobicContact CB-CZ 3.61Å; N121-F142 WeakPolarHBondContact OD1-CZ 3.35Å; N121-R162 PolarHBondContact O-NH1 3.45Å; N121-R162 PolarHBondContact O-NH2 3.15Å |
| 122 | R | 88.9 | Confident | 94.6 | Very high | 37 Ų | 37 | 30.1 Ų | 30.1 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8.1 | 176.7 | 67.8 | 150.1 | -172.8 | 97.5 | 4 | 114.2 | R98 V118 D119 A120 R162 R169 | R98-R122 VanDerWaalsContact CG-NE 3.26Å; R98-R122 WeakPolarHBondContact O-CD 3.46Å; R98-R122 PolarHBondContact O-NE 3.23Å; R98-R122 VanDerWaalsContact O-NE 3.08Å; V118-R122 PolarHBondContact O-N 2.86Å; D119-R122 WeakPolarHBondContact O-CG 3.45Å; D119-R122 PolarHBondContact O-N 3.46Å; D119-R122 IonicContact OD1-CZ 2.67Å; D119-R122 IonicContact OD1-NE 3.13Å; D119-R122 PolarHBondContact OD1-NE 2.86Å; D119-R122 IonicContact OD1-NH2 2.8Å; D119-R122 PolarHBondContact OD1-NH2 3.27Å; D119-R122 IonicContact OD2-NH2 3.37Å; D119-R122 PolarHBondContact OD2-NH2 3.01Å; A120-R122 VanDerWaalsContact C-N 3.31Å; A120-R122 PolarHBondContact O-N 2.86Å; R122-R162 PolarHBondContact O-NH2 3.35Å; R122-R169 PolarHBondContact O-NH2 2.83Å |
| 123 | R | 90.9 | Very high | 94.8 | Very high | 35 Ų | 35 | 26.3 Ų | 26.3 | 13% | 0.132 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -79.9 | 150.9 | 176.7 | -66.2 | 170.5 | -179.1 | -104 | -5.4 | 110.5 | D119 A120 N121 N128 A129 R162 | D119-R123 WeakPolarHBondContact O-CG 3.44Å; D119-R123 IonicContact OD2-CZ 3.59Å; D119-R123 IonicContact OD2-NE 3.55Å; D119-R123 PolarHBondContact OD2-NE 2.79Å; D119-R123 IonicContact OD2-NH2 2.71Å; D119-R123 PolarHBondContact OD2-NH2 3.2Å; A120-R123 WeakPolarHBondContact O-CB 3.19Å; A120-R123 PolarHBondContact O-N 3.29Å; A120-R123 VanDerWaalsContact O-N 3.1Å; N121-R123 VanDerWaalsContact C-N 3.27Å; N121-R123 PolarHBondContact O-N 3.48Å; R123-N128 WeakPolarHBondContact CD-O 3.38Å; R123-A129 HydrophobicContact CB-CB 4.02Å; R123-R162 PolarHBondContact O-NH1 2.96Å; R123-R162 PolarHBondContact O-NH2 3.38Å |
| 124 | D | 92.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -70.4 | -56.2 | -167.4 | 56.2 | -14.1 | 0 | 0 | 0 | 113.7 | F155 V156 R169 R172 | D124-F155 WeakPolarHBondContact O-CA 3.3Å; D124-F155 WeakPolarHBondContact O-CD1 3.35Å; D124-V156 PolarHBondContact O-N 3.26Å; D124-R169 HydrophobicContact CB-CG 4Å; D124-R172 IonicContact OD1-NH2 2.92Å; D124-R172 PolarHBondContact OD1-NH2 2.97Å; D124-R172 IonicContact OD2-CZ 3.89Å; D124-R172 IonicContact OD2-NE 3.8Å; D124-R172 PolarHBondContact OD2-NE 2.85Å; D124-R172 IonicContact OD2-NH2 3.73Å; D124-R172 PolarHBondContact OD2-NH2 3.31Å |
| 125 | L | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 145.1 | -172.1 | -58.9 | 171.5 | 0 | 0 | 0 | 111 | V127 N128 A129 V153 A154 F155 F176 | L125-V127 VanDerWaalsContact C-N 3.29Å; L125-V127 HydrophobicContact CB-CG2 4.11Å; L125-V127 PolarHBondContact O-N 2.93Å; L125-N128 CarbonylContact O-C 3.37Å; L125-N128 WeakPolarHBondContact O-CA 3.22Å; L125-N128 PolarHBondContact O-N 3.29Å; L125-A129 WeakPolarHBondContact O-CB 3.31Å; L125-A129 PolarHBondContact O-N 3.27Å; L125-A129 VanDerWaalsContact O-N 3.09Å; L125-V153 HydrophobicContact CD1-CG1 3.79Å; L125-V153 HydrophobicContact CD2-CG1 3.97Å; L125-V153 HydrophobicContact CG-CG1 4.43Å; L125-A154 CarbonylContact C-O 3.14Å; L125-A154 VanDerWaalsContact CA-O 3.22Å; L125-A154 WeakPolarHBondContact CA-O 3.33Å; L125-A154 WeakPolarHBondContact CB-O 3.49Å; L125-A154 WeakPolarHBondContact CD2-O 3.3Å; L125-F155 HydrophobicContact CD2-CD1 4.01Å; L125-F155 HydrophobicContact CD2-CD2 4.3Å; L125-F155 HydrophobicContact CD2-CE1 4.13Å; L125-F155 HydrophobicContact CD2-CE2 4.4Å; L125-F155 HydrophobicContact CD2-CG 4.11Å; L125-F155 HydrophobicContact CD2-CZ 4.32Å; L125-F176 HydrophobicContact CD1-CB 3.64Å; L125-F176 HydrophobicContact CD1-CD2 3.35Å; L125-F176 HydrophobicContact CD1-CE2 4.19Å; L125-F176 HydrophobicContact CD1-CG 3.81Å |
| 126 | T | 97 | Very high | 94.7 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 4% | 0.043 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -55 | -45.4 | -179.1 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | N128 A129 F142 D147 A154 V156 | T126-N128 PolarHBondContact O-N 3.46Å; T126-N128 VanDerWaalsContact O-N 3.08Å; T126-A129 PolarHBondContact O-N 3.39Å; T126-F142 HydrophobicContact CG2-CB 4.3Å; T126-D147 VanDerWaalsContact CB-OD2 3.23Å; T126-D147 WeakPolarHBondContact CB-OD2 3.45Å; T126-D147 WeakPolarHBondContact CG2-OD2 3.47Å; T126-D147 PolarHBondContact OG1-OD2 3.01Å; T126-A154 HydrophobicContact CG2-CB 4.3Å; T126-A154 PolarHBondContact N-O 3.36Å; T126-A154 PolarHBondContact OG1-O 3.28Å; T126-V156 HydrophobicContact CG2-CG2 4.07Å |
| 127 | V | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -61.5 | -17.9 | 176.7 | -57 | 0 | 0 | 0 | 0 | 113.7 | R38 L125 M130 D147 I148 V180 | R38-V127 WeakPolarHBondContact CB-O 3.3Å; R38-V127 HydrophobicContact CG-CB 4.24Å; L125-V127 VanDerWaalsContact C-N 3.29Å; L125-V127 HydrophobicContact CB-CG2 4.11Å; L125-V127 PolarHBondContact O-N 2.93Å; V127-M130 VanDerWaalsContact O-CE 3.25Å; V127-M130 WeakPolarHBondContact O-CE 3.37Å; V127-D147 HydrophobicContact CG1-CB 3.84Å; V127-I148 HydrophobicContact CB-CG1 4.1Å; V127-I148 HydrophobicContact CG1-CG1 3.86Å; V127-V180 HydrophobicContact CG2-CG2 4.36Å |
| 128 | N | 95.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.032 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -110.2 | 4.3 | 177.1 | -61.7 | -29 | 0 | 0 | 0 | 112.9 | G34 R38 R123 L125 T126 F176 | G34-N128 WeakPolarHBondContact CA-O 3.48Å; R38-N128 PolarHBondContact NH1-OD1 3.03Å; R123-N128 WeakPolarHBondContact CD-O 3.38Å; L125-N128 CarbonylContact O-C 3.37Å; L125-N128 WeakPolarHBondContact O-CA 3.22Å; L125-N128 PolarHBondContact O-N 3.29Å; T126-N128 PolarHBondContact O-N 3.46Å; T126-N128 VanDerWaalsContact O-N 3.08Å; N128-F176 WeakPolarHBondContact ND2-CD2 3.46Å; N128-F176 WeakPolarHBondContact ND2-CE2 3.31Å; N128-F176 WeakPolarHBondContact ND2-CZ 3.36Å |
| 129 | A | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -102.1 | 14.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A120 R123 L125 T126 F142 V156 | A120-A129 HydrophobicContact CB-CB 4.39Å; A120-A129 VanDerWaalsContact CB-O 3.26Å; A120-A129 WeakPolarHBondContact CB-O 3.17Å; R123-A129 HydrophobicContact CB-CB 4.02Å; L125-A129 WeakPolarHBondContact O-CB 3.31Å; L125-A129 PolarHBondContact O-N 3.27Å; L125-A129 VanDerWaalsContact O-N 3.09Å; T126-A129 PolarHBondContact O-N 3.39Å; A129-F142 HydrophobicContact CB-CD2 4.27Å; A129-V156 HydrophobicContact CB-CG2 3.58Å |
| 130 | M | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -98.9 | 157.9 | 178.9 | -65.2 | 174.3 | -71.8 | 0 | 0 | 111.9 | G34 V37 L41 V127 V138 F139 D140 G144 L145 I148 | G34-M130 PolarHBondContact N-O 3.02Å; V37-M130 HydrophobicContact CG1-CB 3.86Å; L41-M130 HydrophobicContact CD1-CE 3.81Å; L41-M130 HydrophobicContact CD1-SD 3.83Å; V127-M130 VanDerWaalsContact O-CE 3.25Å; V127-M130 WeakPolarHBondContact O-CE 3.37Å; M130-V138 HydrophobicContact SD-CG1 4.49Å; M130-F139 WeakPolarHBondContact CA-O 3.21Å; M130-D140 HydrophobicContact CG-CB 3.95Å; M130-D140 HydrophobicContact SD-CB 4.25Å; M130-G144 VanDerWaalsContact SD-C 3.54Å; M130-L145 HydrophobicContact SD-CD2 4.43Å; M130-L145 HydrophobicContact SD-CG 4.04Å; M130-I148 HydrophobicContact CE-CD1 3.34Å; M130-I148 HydrophobicContact CE-CG1 4.27Å | ||
| 131 | F | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155.1 | 170.3 | -48.7 | -84.4 | 0 | 0 | 0 | 110.8 | R31 I32 A33 A52 L97 W116 D119 A120 F139 Y141 | R31-F131 HydrophobicContact CB-CB 4.12Å; I32-F131 CarbonylContact O-C 2.98Å; I32-F131 VanDerWaalsContact O-CA 3.25Å; I32-F131 WeakPolarHBondContact O-CA 3.32Å; A33-F131 HydrophobicContact CB-CD1 3.69Å; A33-F131 HydrophobicContact CB-CE1 3.95Å; A52-F131 HydrophobicContact CB-CD1 4.31Å; A52-F131 HydrophobicContact CB-CE1 4.08Å; L97-F131 HydrophobicContact CD2-CE1 4.37Å; L97-F131 HydrophobicContact CD2-CZ 4.41Å; W116-F131 HydrophobicContact CB-CE2 4.25Å; W116-F131 HydrophobicContact CE3-CB 4.41Å; W116-F131 AromaticContact CE3-CD1 3.67Å; W116-F131 HydrophobicContact CE3-CD1 3.67Å; W116-F131 AromaticContact CE3-CD2 3.79Å; W116-F131 HydrophobicContact CE3-CD2 3.79Å; W116-F131 AromaticContact CE3-CE1 3.72Å; W116-F131 HydrophobicContact CE3-CE1 3.72Å; W116-F131 AromaticContact CE3-CE2 3.81Å; W116-F131 HydrophobicContact CE3-CE2 3.81Å; W116-F131 AromaticContact CE3-CG 3.69Å; W116-F131 HydrophobicContact CE3-CG 3.69Å; W116-F131 AromaticContact CE3-CZ 3.79Å; W116-F131 HydrophobicContact CE3-CZ 3.79Å; W116-F131 HydrophobicContact CZ3-CB 4.43Å; W116-F131 AromaticContact CZ3-CD1 3.56Å; W116-F131 HydrophobicContact CZ3-CD1 3.56Å; W116-F131 HydrophobicContact CZ3-CD2 4.46Å; W116-F131 AromaticContact CZ3-CE1 3.81Å; W116-F131 HydrophobicContact CZ3-CE1 3.81Å; W116-F131 AromaticContact CZ3-CG 3.91Å; W116-F131 HydrophobicContact CZ3-CG 3.91Å; W116-F131 HydrophobicContact CZ3-CZ 4.36Å; W116-F131 WeakPolarHBondContact O-CE2 3.35Å; D119-F131 HydrophobicContact CB-CZ 4.21Å; D119-F131 WeakPolarHBondContact OD2-CZ 3.49Å; A120-F131 HydrophobicContact CB-CE2 3.77Å; A120-F131 HydrophobicContact CB-CZ 4.22Å; F131-F139 HydrophobicContact CB-CB 4.2Å; F131-F139 HydrophobicContact CB-CD2 4.43Å; F131-F139 HydrophobicContact CD2-CB 4.46Å; F131-F139 PolarHBondContact N-O 3.41Å; F131-F139 PolarHBondContact O-N 3.43Å; F131-Y141 HydrophobicContact CD2-CD2 4.45Å; F131-Y141 AromaticContact CD2-CE2 3.81Å; F131-Y141 HydrophobicContact CD2-CE2 3.81Å; F131-Y141 HydrophobicContact CE2-CD2 4.3Å; F131-Y141 AromaticContact CE2-CE2 3.83Å; F131-Y141 HydrophobicContact CE2-CE2 3.83Å |
| 132 | L | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.1 | 177.8 | -178.4 | 67.1 | 0 | 0 | 0 | 109.3 | L3 F8 I32 V37 L40 G136 V138 | L3-L132 HydrophobicContact CB-CD1 4.16Å; L3-L132 HydrophobicContact CD2-CD2 3.97Å; F8-L132 HydrophobicContact CD2-CD2 3.67Å; F8-L132 HydrophobicContact CE2-CD2 3.48Å; F8-L132 VanDerWaalsContact CE2-CD2 3.48Å; F8-L132 HydrophobicContact CE2-CG 3.98Å; F8-L132 HydrophobicContact CZ-CD2 4.39Å; I32-L132 HydrophobicContact CB-CB 4.22Å; I32-L132 HydrophobicContact CD1-CD2 4.44Å; I32-L132 PolarHBondContact N-O 3.38Å; I32-L132 PolarHBondContact O-N 2.9Å; V37-L132 HydrophobicContact CG1-CB 4.1Å; V37-L132 HydrophobicContact CG2-CB 3.81Å; L40-L132 HydrophobicContact CD1-CD2 3.51Å; L132-G136 WeakPolarHBondContact CD1-O 3.36Å; L132-V138 HydrophobicContact CD1-CG2 3.81Å |
| 133 | G | 96 | Very high | 95.5 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | trans | -69.8 | 151.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D135 G136 T137 | G133-D135 PolarHBondContact O-N 2.91Å; G133-D135 VanDerWaalsContact O-N 3.09Å; G133-G136 PolarHBondContact O-N 3.29Å; G133-T137 PolarHBondContact N-O 3.07Å | ||
| 134 | F | 94.5 | Very high | 95.8 | Very high | 21 Ų | 21 | 21.5 Ų | 21.5 | 9% | 0.092 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.6 | 174.8 | -73.1 | -103.3 | 0 | 0 | 0 | 113 | F12 L16 K20 I30 L51 G136 | F12-F134 HydrophobicContact CD1-CD1 4.18Å; F12-F134 HydrophobicContact CE1-CB 4Å; F12-F134 AromaticContact CE1-CD1 3.63Å; F12-F134 HydrophobicContact CE1-CD1 3.63Å; F12-F134 HydrophobicContact CE1-CG 4.25Å; F12-F134 WeakPolarHBondContact CE1-O 3.23Å; F12-F134 VanDerWaalsContact CZ-O 3.23Å; F12-F134 WeakPolarHBondContact CZ-O 2.96Å; L16-F134 HydrophobicContact CD1-CE1 4.08Å; L16-F134 HydrophobicContact CD1-CZ 4.21Å; L16-F134 HydrophobicContact CD2-CE1 4.08Å; L16-F134 HydrophobicContact CG-CE1 3.87Å; L16-F134 HydrophobicContact CG-CZ 4.49Å; K20-F134 HydrophobicContact CB-CD1 4Å; K20-F134 HydrophobicContact CB-CE1 3.83Å; K20-F134 HydrophobicContact CB-CG 4.48Å; K20-F134 HydrophobicContact CB-CZ 4.16Å; K20-F134 HydrophobicContact CD-CB 3.78Å; K20-F134 HydrophobicContact CD-CD1 3.77Å; K20-F134 HydrophobicContact CD-CD2 4.31Å; K20-F134 HydrophobicContact CD-CE1 4.45Å; K20-F134 HydrophobicContact CD-CG 3.7Å; K20-F134 VanDerWaalsContact CE-CB 3.47Å; K20-F134 HydrophobicContact CG-CB 4.43Å; K20-F134 HydrophobicContact CG-CD1 3.87Å; K20-F134 HydrophobicContact CG-CD2 4.03Å; K20-F134 HydrophobicContact CG-CE1 4.09Å; K20-F134 HydrophobicContact CG-CE2 4.26Å; K20-F134 HydrophobicContact CG-CG 3.85Å; K20-F134 HydrophobicContact CG-CZ 4.29Å; I30-F134 HydrophobicContact CG1-CE2 4.3Å; I30-F134 HydrophobicContact CG2-CE2 3.87Å; I30-F134 HydrophobicContact CG2-CZ 4.49Å; L51-F134 HydrophobicContact CD2-CZ 4.21Å; F134-G136 VanDerWaalsContact C-N 3.32Å |
| 135 | D | 93.9 | Very high | 95.9 | Very high | 87 Ų | 87 | 23.6 Ų | 23.6 | 47% | 0.465 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 6.6 | 174.1 | 78.2 | -41.3 | 0 | 0 | 0 | 113.3 | K2 G133 T137 | K2-D135 WeakPolarHBondContact CE-OD2 3.24Å; K2-D135 IonicContact NZ-OD2 3.14Å; K2-D135 PolarHBondContact NZ-OD2 3.42Å; G133-D135 PolarHBondContact O-N 2.91Å; G133-D135 VanDerWaalsContact O-N 3.09Å; D135-T137 VanDerWaalsContact CG-OG1 3.26Å; D135-T137 VanDerWaalsContact OD1-CB 3.24Å; D135-T137 WeakPolarHBondContact OD1-CB 3.38Å; D135-T137 PolarHBondContact OD1-N 3.14Å; D135-T137 PolarHBondContact OD1-OG1 3.44Å; D135-T137 VanDerWaalsContact OD1-OG1 3.1Å; D135-T137 PolarHBondContact OD2-OG1 2.96Å |
| 136 | G | 94.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 87.5 | -4.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | K2 L3 L132 G133 F134 V138 | K2-G136 CarbonylContact C-O 3.6Å; K2-G136 VanDerWaalsContact CA-O 3.25Å; K2-G136 WeakPolarHBondContact CA-O 3.37Å; L3-G136 PolarHBondContact N-O 3.14Å; L132-G136 WeakPolarHBondContact CD1-O 3.36Å; G133-G136 PolarHBondContact O-N 3.29Å; F134-G136 VanDerWaalsContact C-N 3.32Å; G136-V138 PolarHBondContact O-N 3.47Å |
| 137 | T | 96.4 | Very high | 95.9 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 21% | 0.209 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -67.8 | 120.4 | -177 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | G133 D135 F139 | G133-T137 PolarHBondContact N-O 3.07Å; D135-T137 VanDerWaalsContact CG-OG1 3.26Å; D135-T137 VanDerWaalsContact OD1-CB 3.24Å; D135-T137 WeakPolarHBondContact OD1-CB 3.38Å; D135-T137 PolarHBondContact OD1-N 3.14Å; D135-T137 PolarHBondContact OD1-OG1 3.44Å; D135-T137 VanDerWaalsContact OD1-OG1 3.1Å; D135-T137 PolarHBondContact OD2-OG1 2.96Å; T137-F139 HydrophobicContact CG2-CD2 4.44Å; T137-F139 HydrophobicContact CG2-CE1 4.27Å; T137-F139 HydrophobicContact CG2-CE2 3.91Å; T137-F139 HydrophobicContact CG2-CZ 3.82Å; T137-F139 WeakPolarHBondContact O-CD2 3.45Å; T137-F139 WeakPolarHBondContact O-CE2 3.34Å |
| 138 | V | 96.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.5 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | M1 L41 M130 L132 G136 L145 | M1-V138 PolarHBondContact O-N 3.39Å; L41-V138 HydrophobicContact CD1-CG1 4.41Å; L41-V138 HydrophobicContact CD2-CG2 4.02Å; M130-V138 HydrophobicContact SD-CG1 4.49Å; L132-V138 HydrophobicContact CD1-CG2 3.81Å; G136-V138 PolarHBondContact O-N 3.47Å; V138-L145 HydrophobicContact CG1-CD1 4.01Å; V138-L145 HydrophobicContact CG1-CD2 4.15Å; V138-L145 HydrophobicContact CG1-CG 4.19Å |
| 139 | F | 97.2 | Very high | 95.9 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 25% | 0.254 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 108.1 | 172.6 | -58.5 | -92.6 | 0 | 0 | 0 | 109 | R31 M130 F131 T137 Y141 | R31-F139 VanDerWaalsContact NH1-CD1 3.32Å; M130-F139 WeakPolarHBondContact CA-O 3.21Å; F131-F139 HydrophobicContact CB-CB 4.2Å; F131-F139 HydrophobicContact CB-CD2 4.43Å; F131-F139 HydrophobicContact CD2-CB 4.46Å; F131-F139 PolarHBondContact N-O 3.41Å; F131-F139 PolarHBondContact O-N 3.43Å; T137-F139 HydrophobicContact CG2-CD2 4.44Å; T137-F139 HydrophobicContact CG2-CE1 4.27Å; T137-F139 HydrophobicContact CG2-CE2 3.91Å; T137-F139 HydrophobicContact CG2-CZ 3.82Å; T137-F139 WeakPolarHBondContact O-CD2 3.45Å; T137-F139 WeakPolarHBondContact O-CE2 3.34Å; F139-Y141 HydrophobicContact CB-CE2 4.19Å |
| 140 | D | 96.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 40.4 Ų | 40.4 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | trans | -123.9 | 117.3 | 179.2 | 179.4 | 12.4 | 0 | 0 | 0 | 109.7 | M130 F142 G143 G144 L145 | M130-D140 HydrophobicContact CG-CB 3.95Å; M130-D140 HydrophobicContact SD-CB 4.25Å; D140-F142 PolarHBondContact OD1-N 3.13Å; D140-F142 VanDerWaalsContact OD1-N 3.07Å; D140-G143 PolarHBondContact OD1-N 3.42Å; D140-G143 VanDerWaalsContact OD2-C 3.24Å; D140-G143 VanDerWaalsContact OD2-CA 3.32Å; D140-G143 WeakPolarHBondContact OD2-CA 3.33Å; D140-G144 VanDerWaalsContact CG-N 3.25Å; D140-G144 PolarHBondContact OD1-N 2.62Å; D140-G144 PolarHBondContact OD2-N 2.93Å; D140-L145 HydrophobicContact CB-CD1 4.09Å; D140-L145 HydrophobicContact CB-CG 4.25Å; D140-L145 WeakPolarHBondContact OD2-CB 3.49Å; D140-L145 PolarHBondContact OD2-N 2.85Å | ||
| 141 | Y | 95.4 | Very high | 95.8 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -102.1 | -14.6 | -177.6 | -57.7 | -76.4 | 0 | 0 | 0 | 113.1 | W116 M117 A120 F131 F139 | W116-Y141 HydrophobicContact CB-CE2 4.01Å; W116-Y141 VanDerWaalsContact CB-OH 3.25Å; W116-Y141 WeakPolarHBondContact CB-OH 3.46Å; M117-Y141 HydrophobicContact CB-CD1 3.86Å; M117-Y141 HydrophobicContact CB-CE1 4.02Å; M117-Y141 HydrophobicContact CB-CG 4.18Å; M117-Y141 HydrophobicContact CG-CD1 3.86Å; M117-Y141 HydrophobicContact CG-CG 4.04Å; M117-Y141 HydrophobicContact SD-CD1 4.47Å; A120-Y141 HydrophobicContact CB-CD2 3.67Å; A120-Y141 HydrophobicContact CB-CE2 4.38Å; A120-Y141 HydrophobicContact CB-CG 4.47Å; F131-Y141 HydrophobicContact CD2-CD2 4.45Å; F131-Y141 AromaticContact CD2-CE2 3.81Å; F131-Y141 HydrophobicContact CD2-CE2 3.81Å; F131-Y141 HydrophobicContact CE2-CD2 4.3Å; F131-Y141 AromaticContact CE2-CE2 3.83Å; F131-Y141 HydrophobicContact CE2-CE2 3.83Å; F139-Y141 HydrophobicContact CB-CE2 4.19Å |
| 142 | F | 95.6 | Very high | 95.7 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -132.9 | 13.1 | -166.7 | -62.3 | -71.1 | 0 | 0 | 0 | 113.7 | A120 N121 T126 A129 D140 V156 | A120-F142 VanDerWaalsContact C-CE2 3.49Å; A120-F142 HydrophobicContact CB-CD2 3.98Å; A120-F142 HydrophobicContact CB-CE2 3.56Å; N121-F142 HydrophobicContact CB-CE2 4.1Å; N121-F142 HydrophobicContact CB-CZ 3.61Å; N121-F142 WeakPolarHBondContact OD1-CZ 3.35Å; T126-F142 HydrophobicContact CG2-CB 4.3Å; A129-F142 HydrophobicContact CB-CD2 4.27Å; D140-F142 PolarHBondContact OD1-N 3.13Å; D140-F142 VanDerWaalsContact OD1-N 3.07Å; F142-V156 HydrophobicContact CB-CG1 4.4Å; F142-V156 HydrophobicContact CB-CG2 4.24Å; F142-V156 HydrophobicContact CD1-CG1 3.69Å; F142-V156 HydrophobicContact CD2-CG1 3.81Å; F142-V156 HydrophobicContact CD2-CG2 4.27Å; F142-V156 HydrophobicContact CE1-CG1 3.85Å; F142-V156 HydrophobicContact CE2-CG1 3.98Å; F142-V156 HydrophobicContact CG-CG1 3.68Å; F142-V156 HydrophobicContact CG-CG2 4.25Å; F142-V156 HydrophobicContact CZ-CG1 4.01Å |
| 143 | G | 95.3 | Very high | 95.7 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 78.5 | 24.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D140 L145 D146 D147 | D140-G143 PolarHBondContact OD1-N 3.42Å; D140-G143 VanDerWaalsContact OD2-C 3.24Å; D140-G143 VanDerWaalsContact OD2-CA 3.32Å; D140-G143 WeakPolarHBondContact OD2-CA 3.33Å; G143-L145 PolarHBondContact O-N 3.03Å; G143-D146 PolarHBondContact O-N 2.86Å; G143-D147 PolarHBondContact O-N 3.04Å; G143-D147 VanDerWaalsContact O-N 3.07Å |
| 144 | G | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.8 | -29.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M130 D140 I148 | M130-G144 VanDerWaalsContact SD-C 3.54Å; D140-G144 VanDerWaalsContact CG-N 3.25Å; D140-G144 PolarHBondContact OD1-N 2.62Å; D140-G144 PolarHBondContact OD2-N 2.93Å; G144-I148 VanDerWaalsContact O-CG1 3.31Å; G144-I148 WeakPolarHBondContact O-CG1 3.4Å; G144-I148 PolarHBondContact O-N 3.23Å |
| 145 | L | 95.6 | Very high | 95.8 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -47.9 | 175.4 | -79.5 | 168.9 | 0 | 0 | 0 | 111.9 | M1 L41 M130 V138 D140 G143 D147 I148 E149 | M1-L145 HydrophobicContact SD-CD2 4.19Å; L41-L145 HydrophobicContact CD1-CD2 3.78Å; L41-L145 HydrophobicContact CD2-CD2 3.87Å; L41-L145 HydrophobicContact CG-CD2 4.44Å; M130-L145 HydrophobicContact SD-CD2 4.43Å; M130-L145 HydrophobicContact SD-CG 4.04Å; V138-L145 HydrophobicContact CG1-CD1 4.01Å; V138-L145 HydrophobicContact CG1-CD2 4.15Å; V138-L145 HydrophobicContact CG1-CG 4.19Å; D140-L145 HydrophobicContact CB-CD1 4.09Å; D140-L145 HydrophobicContact CB-CG 4.25Å; D140-L145 WeakPolarHBondContact OD2-CB 3.49Å; D140-L145 PolarHBondContact OD2-N 2.85Å; G143-L145 PolarHBondContact O-N 3.03Å; L145-D147 VanDerWaalsContact C-N 3.32Å; L145-I148 PolarHBondContact O-N 2.87Å; L145-E149 PolarHBondContact O-N 3.05Å |
| 146 | D | 96.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 44.7 Ų | 44.7 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 178 | -177.3 | 55.8 | 0 | 0 | 0 | 110.8 | G143 E149 K150 | G143-D146 PolarHBondContact O-N 2.86Å; D146-E149 PolarHBondContact O-N 3.24Å; D146-K150 VanDerWaalsContact O-CB 3.31Å; D146-K150 WeakPolarHBondContact O-CB 3.45Å; D146-K150 WeakPolarHBondContact O-CG 3.44Å; D146-K150 PolarHBondContact O-N 2.95Å; D146-K150 WeakPolarHBondContact OD1-CE 3.25Å; D146-K150 IonicContact OD1-NZ 2.98Å; D146-K150 PolarHBondContact OD1-NZ 3.38Å; D146-K150 IonicContact OD2-NZ 2.93Å; D146-K150 PolarHBondContact OD2-NZ 2.92Å |
| 147 | D | 96.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 174.6 | -79 | -26.8 | 0 | 0 | 0 | 112.7 | T126 V127 G143 L145 R151 R152 | T126-D147 VanDerWaalsContact CB-OD2 3.23Å; T126-D147 WeakPolarHBondContact CB-OD2 3.45Å; T126-D147 WeakPolarHBondContact CG2-OD2 3.47Å; T126-D147 PolarHBondContact OG1-OD2 3.01Å; V127-D147 HydrophobicContact CG1-CB 3.84Å; G143-D147 PolarHBondContact O-N 3.04Å; G143-D147 VanDerWaalsContact O-N 3.07Å; L145-D147 VanDerWaalsContact C-N 3.32Å; D147-R151 CarbonylContact O-C 3.59Å; D147-R151 WeakPolarHBondContact O-CA 3.5Å; D147-R151 PolarHBondContact O-N 3.33Å; D147-R152 HydrophobicContact CB-CB 4.36Å; D147-R152 PolarHBondContact O-N 3.16Å; D147-R152 VanDerWaalsContact OD1-CD 3.22Å; D147-R152 WeakPolarHBondContact OD1-CD 3.11Å; D147-R152 WeakPolarHBondContact OD1-CG 3.35Å; D147-R152 IonicContact OD1-CZ 2.96Å; D147-R152 IonicContact OD1-NE 3.95Å; D147-R152 IonicContact OD1-NH1 2.75Å; D147-R152 PolarHBondContact OD1-NH1 3.19Å; D147-R152 IonicContact OD2-NH1 2.94Å |
| 148 | I | 95.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 173.3 | -75 | 176.9 | 0 | 0 | 0 | 110.9 | R38 L41 M42 V127 M130 G144 L145 K150 R151 | R38-I148 HydrophobicContact CB-CD1 4.3Å; R38-I148 HydrophobicContact CG-CD1 3.93Å; R38-I148 HydrophobicContact CG-CG1 4.37Å; L41-I148 HydrophobicContact CB-CD1 3.89Å; L41-I148 HydrophobicContact CB-CG2 4.45Å; L41-I148 HydrophobicContact CD1-CD1 3.84Å; M42-I148 HydrophobicContact CG-CG2 3.83Å; V127-I148 HydrophobicContact CB-CG1 4.1Å; V127-I148 HydrophobicContact CG1-CG1 3.86Å; M130-I148 HydrophobicContact CE-CD1 3.34Å; M130-I148 HydrophobicContact CE-CG1 4.27Å; G144-I148 VanDerWaalsContact O-CG1 3.31Å; G144-I148 WeakPolarHBondContact O-CG1 3.4Å; G144-I148 PolarHBondContact O-N 3.23Å; L145-I148 PolarHBondContact O-N 2.87Å; I148-K150 PolarHBondContact O-N 3.32Å; I148-R151 PolarHBondContact O-N 3.19Å; I148-R151 VanDerWaalsContact O-N 3.14Å |
| 149 | E | 94.8 | Very high | 95.6 | Very high | 159 Ų | 159 | 50.1 Ų | 50.1 | 74% | 0.743 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 180 | -173.7 | 175.2 | -170.8 | 0 | 0 | 111.4 | L145 D146 R151 | L145-E149 PolarHBondContact O-N 3.05Å; D146-E149 PolarHBondContact O-N 3.24Å; E149-R151 PolarHBondContact O-N 2.8Å |
| 150 | K | 95.6 | Very high | 95.5 | Very high | 126 Ų | 126 | 50.4 Ų | 50.4 | 55% | 0.548 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.7 | 177.4 | -69.1 | 171.7 | 177.9 | 161.9 | 0 | 114.1 | D146 I148 R152 | D146-K150 VanDerWaalsContact O-CB 3.31Å; D146-K150 WeakPolarHBondContact O-CB 3.45Å; D146-K150 WeakPolarHBondContact O-CG 3.44Å; D146-K150 PolarHBondContact O-N 2.95Å; D146-K150 WeakPolarHBondContact OD1-CE 3.25Å; D146-K150 IonicContact OD1-NZ 2.98Å; D146-K150 PolarHBondContact OD1-NZ 3.38Å; D146-K150 IonicContact OD2-NZ 2.93Å; D146-K150 PolarHBondContact OD2-NZ 2.92Å; I148-K150 PolarHBondContact O-N 3.32Å; K150-R152 HydrophobicContact CB-CB 4.27Å; K150-R152 PolarHBondContact O-N 3.32Å |
| 151 | R | 95 | Very high | 95.3 | Very high | 91 Ų | 91 | 54.8 Ų | 54.8 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 34.8 | -175.6 | -55.2 | -68.4 | -174 | 177.7 | 0.3 | 112.5 | D147 I148 E149 V180 A181 D182 | D147-R151 CarbonylContact O-C 3.59Å; D147-R151 WeakPolarHBondContact O-CA 3.5Å; D147-R151 PolarHBondContact O-N 3.33Å; I148-R151 PolarHBondContact O-N 3.19Å; I148-R151 VanDerWaalsContact O-N 3.14Å; E149-R151 PolarHBondContact O-N 2.8Å; R151-V180 WeakPolarHBondContact CD-O 3.33Å; R151-A181 WeakPolarHBondContact O-CA 3.5Å; R151-D182 HydrophobicContact CB-CB 4.27Å; R151-D182 HydrophobicContact CG-CB 4.13Å |
| 152 | R | 95.6 | Very high | 95.2 | Very high | 91 Ų | 91 | 51.7 Ų | 51.7 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | trans | -97.6 | 142.9 | -177.5 | 178.8 | 172.2 | 172.4 | -106.4 | -0.3 | 110.2 | D147 K150 E188 | D147-R152 HydrophobicContact CB-CB 4.36Å; D147-R152 PolarHBondContact O-N 3.16Å; D147-R152 VanDerWaalsContact OD1-CD 3.22Å; D147-R152 WeakPolarHBondContact OD1-CD 3.11Å; D147-R152 WeakPolarHBondContact OD1-CG 3.35Å; D147-R152 IonicContact OD1-CZ 2.96Å; D147-R152 IonicContact OD1-NE 3.95Å; D147-R152 IonicContact OD1-NH1 2.75Å; D147-R152 PolarHBondContact OD1-NH1 3.19Å; D147-R152 IonicContact OD2-NH1 2.94Å; K150-R152 HydrophobicContact CB-CB 4.27Å; K150-R152 PolarHBondContact O-N 3.32Å; R152-E188 IonicContact CZ-OE1 3.38Å; R152-E188 IonicContact NE-OE1 2.88Å; R152-E188 PolarHBondContact NE-OE1 2.63Å; R152-E188 VanDerWaalsContact NH2-CD 3.31Å; R152-E188 IonicContact NH2-OE1 3.38Å; R152-E188 PolarHBondContact NH2-OE1 2.86Å; R152-E188 IonicContact NH2-OE2 3.62Å; R152-E188 PolarHBondContact NH2-OE2 2.97Å | ||
| 153 | V | 96.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | trans | -117.9 | 109.3 | 173.8 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | L125 Y173 F176 Y177 V180 | L125-V153 HydrophobicContact CD1-CG1 3.79Å; L125-V153 HydrophobicContact CD2-CG1 3.97Å; L125-V153 HydrophobicContact CG-CG1 4.43Å; V153-Y173 HydrophobicContact CB-CE2 4.27Å; V153-Y173 HydrophobicContact CG1-CD2 3.85Å; V153-Y173 HydrophobicContact CG1-CE2 4.01Å; V153-F176 HydrophobicContact CG1-CB 4.47Å; V153-Y177 HydrophobicContact CB-CD2 4.23Å; V153-Y177 HydrophobicContact CG2-CD2 4.32Å; V153-V180 HydrophobicContact CG2-CB 3.71Å; V153-V180 HydrophobicContact CG2-CG1 4.03Å; V153-V180 HydrophobicContact CG2-CG2 4.29Å | ||
| 154 | A | 96.2 | Very high | 95 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | trans | -126.8 | 150.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | L125 T126 | L125-A154 CarbonylContact C-O 3.14Å; L125-A154 VanDerWaalsContact CA-O 3.22Å; L125-A154 WeakPolarHBondContact CA-O 3.33Å; L125-A154 WeakPolarHBondContact CB-O 3.49Å; L125-A154 WeakPolarHBondContact CD2-O 3.3Å; T126-A154 HydrophobicContact CG2-CB 4.3Å; T126-A154 PolarHBondContact N-O 3.36Å; T126-A154 PolarHBondContact OG1-O 3.28Å | ||
| 155 | F | 96.7 | Very high | 94.7 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 6% | 0.057 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 148.5 | 171.9 | -77.7 | -85.9 | 0 | 0 | 0 | 111 | D124 L125 G157 A159 R162 I163 R169 Y173 T191 | D124-F155 WeakPolarHBondContact O-CA 3.3Å; D124-F155 WeakPolarHBondContact O-CD1 3.35Å; L125-F155 HydrophobicContact CD2-CD1 4.01Å; L125-F155 HydrophobicContact CD2-CD2 4.3Å; L125-F155 HydrophobicContact CD2-CE1 4.13Å; L125-F155 HydrophobicContact CD2-CE2 4.4Å; L125-F155 HydrophobicContact CD2-CG 4.11Å; L125-F155 HydrophobicContact CD2-CZ 4.32Å; F155-G157 PolarHBondContact O-N 3.36Å; F155-A159 HydrophobicContact CB-CB 4.07Å; F155-A159 HydrophobicContact CD2-CB 3.48Å; F155-A159 VanDerWaalsContact CD2-CB 3.48Å; F155-A159 HydrophobicContact CE2-CB 4.17Å; F155-A159 HydrophobicContact CG-CB 3.92Å; F155-R162 HydrophobicContact CB-CG 4.3Å; F155-R162 HydrophobicContact CD1-CB 3.61Å; F155-R162 HydrophobicContact CD1-CG 4.15Å; F155-R162 HydrophobicContact CE1-CB 4.15Å; F155-R162 HydrophobicContact CG-CB 4.36Å; F155-I163 HydrophobicContact CE1-CG1 4.19Å; F155-I163 HydrophobicContact CE2-CD1 4.24Å; F155-I163 HydrophobicContact CE2-CG1 4.39Å; F155-I163 HydrophobicContact CZ-CD1 4.1Å; F155-I163 HydrophobicContact CZ-CG1 3.8Å; F155-R169 HydrophobicContact CE1-CB 4.06Å; F155-Y173 HydrophobicContact CE2-CD2 4.14Å; F155-Y173 HydrophobicContact CE2-CG 4.49Å; F155-T191 HydrophobicContact CD2-CG2 4.07Å; F155-T191 HydrophobicContact CE2-CG2 3.79Å |
| 156 | V | 95 | Very high | 94.5 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -72.9 | 114.2 | 166.6 | 173.6 | 0 | 0 | 0 | 0 | 108.4 | D124 T126 A129 F142 R162 | D124-V156 PolarHBondContact O-N 3.26Å; T126-V156 HydrophobicContact CG2-CG2 4.07Å; A129-V156 HydrophobicContact CB-CG2 3.58Å; F142-V156 HydrophobicContact CB-CG1 4.4Å; F142-V156 HydrophobicContact CB-CG2 4.24Å; F142-V156 HydrophobicContact CD1-CG1 3.69Å; F142-V156 HydrophobicContact CD2-CG1 3.81Å; F142-V156 HydrophobicContact CD2-CG2 4.27Å; F142-V156 HydrophobicContact CE1-CG1 3.85Å; F142-V156 HydrophobicContact CE2-CG1 3.98Å; F142-V156 HydrophobicContact CG-CG1 3.68Å; F142-V156 HydrophobicContact CG-CG2 4.25Å; F142-V156 HydrophobicContact CZ-CG1 4.01Å; V156-R162 WeakPolarHBondContact O-CD 3.39Å; V156-R162 WeakPolarHBondContact O-CG 3.34Å; V156-R162 PolarHBondContact O-NH1 3.4Å |
| 157 | G | 93 | Very high | 94.5 | Very high | 63 Ų | 63 | 56.6 Ų | 56.6 | 65% | 0.649 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 76.6 | -141.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F155 | F155-G157 PolarHBondContact O-N 3.36Š|
| 158 | D | 93.3 | Very high | 94.4 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | trans | -82.1 | 117.4 | -176.2 | 179.5 | 91.9 | 0 | 0 | 0 | 112 | E160 K161 R162 | D158-E160 VanDerWaalsContact C-N 3.28Å; D158-E160 PolarHBondContact O-N 2.85Å; D158-E160 WeakPolarHBondContact OD2-CB 3.48Å; D158-E160 PolarHBondContact OD2-N 3.49Å; D158-E160 VanDerWaalsContact OD2-N 3.1Å; D158-K161 HydrophobicContact CB-CB 4.26Å; D158-K161 HydrophobicContact CB-CD 4.1Å; D158-K161 HydrophobicContact CB-CG 4.21Å; D158-K161 PolarHBondContact O-N 3.17Å; D158-K161 WeakPolarHBondContact OD2-CG 3.11Å; D158-K161 PolarHBondContact OD2-N 3.05Å; D158-R162 VanDerWaalsContact O-CG 3.29Å; D158-R162 WeakPolarHBondContact O-CG 3.44Å; D158-R162 PolarHBondContact O-N 3.4Å | ||
| 159 | A | 95 | Very high | 94.5 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.3 | -39 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F155 R162 I163 A194 | F155-A159 HydrophobicContact CB-CB 4.07Å; F155-A159 HydrophobicContact CD2-CB 3.48Å; F155-A159 VanDerWaalsContact CD2-CB 3.48Å; F155-A159 HydrophobicContact CE2-CB 4.17Å; F155-A159 HydrophobicContact CG-CB 3.92Å; A159-R162 PolarHBondContact O-N 3.03Å; A159-I163 WeakPolarHBondContact O-CB 3.45Å; A159-I163 WeakPolarHBondContact O-CD1 3.39Å; A159-I163 VanDerWaalsContact O-CG1 3.23Å; A159-I163 WeakPolarHBondContact O-CG1 3.47Å; A159-I163 PolarHBondContact O-N 3.3Å; A159-A194 HydrophobicContact CB-CB 4.07Å |
| 160 | E | 95.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.5 | -47.3 | -179.3 | 173.7 | 160.3 | -160.3 | 0 | 0 | 111.2 | D158 R162 I163 Q164 A194 | D158-E160 VanDerWaalsContact C-N 3.28Å; D158-E160 PolarHBondContact O-N 2.85Å; D158-E160 WeakPolarHBondContact OD2-CB 3.48Å; D158-E160 PolarHBondContact OD2-N 3.49Å; D158-E160 VanDerWaalsContact OD2-N 3.1Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 3.39Å; E160-I163 PolarHBondContact O-N 3.21Å; E160-Q164 WeakPolarHBondContact O-CG 3.36Å; E160-Q164 PolarHBondContact O-N 2.92Å; E160-Q164 PolarHBondContact OE1-NE2 3.44Å; E160-A194 HydrophobicContact CB-CB 4.1Å |
| 161 | K | 93.2 | Very high | 94.7 | Very high | 138 Ų | 138 | 43.7 Ų | 43.7 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -58.3 | -45 | 173.9 | -69.9 | -179 | -175.7 | 176.1 | 0 | 111.7 | D158 I163 Q164 E165 | D158-K161 HydrophobicContact CB-CB 4.26Å; D158-K161 HydrophobicContact CB-CD 4.1Å; D158-K161 HydrophobicContact CB-CG 4.21Å; D158-K161 PolarHBondContact O-N 3.17Å; D158-K161 WeakPolarHBondContact OD2-CG 3.11Å; D158-K161 PolarHBondContact OD2-N 3.05Å; K161-I163 VanDerWaalsContact C-N 3.32Å; K161-I163 PolarHBondContact O-N 3.24Å; K161-Q164 PolarHBondContact O-N 2.72Å; K161-E165 WeakPolarHBondContact O-CG 3.33Å; K161-E165 PolarHBondContact O-N 3.06Å |
| 162 | R | 92 | Very high | 94.8 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 4% | 0.038 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 179.4 | -58.5 | -35.9 | -65.3 | -68.6 | -8.7 | 111.5 | N121 R122 R123 F155 V156 D158 A159 E160 E165 R169 | N121-R162 PolarHBondContact O-NH1 3.45Å; N121-R162 PolarHBondContact O-NH2 3.15Å; R122-R162 PolarHBondContact O-NH2 3.35Å; R123-R162 PolarHBondContact O-NH1 2.96Å; R123-R162 PolarHBondContact O-NH2 3.38Å; F155-R162 HydrophobicContact CB-CG 4.3Å; F155-R162 HydrophobicContact CD1-CB 3.61Å; F155-R162 HydrophobicContact CD1-CG 4.15Å; F155-R162 HydrophobicContact CE1-CB 4.15Å; F155-R162 HydrophobicContact CG-CB 4.36Å; V156-R162 WeakPolarHBondContact O-CD 3.39Å; V156-R162 WeakPolarHBondContact O-CG 3.34Å; V156-R162 PolarHBondContact O-NH1 3.4Å; D158-R162 VanDerWaalsContact O-CG 3.29Å; D158-R162 WeakPolarHBondContact O-CG 3.44Å; D158-R162 PolarHBondContact O-N 3.4Å; A159-R162 PolarHBondContact O-N 3.03Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 3.39Å; R162-E165 IonicContact CZ-OE2 3.35Å; R162-E165 IonicContact NE-OE1 2.62Å; R162-E165 IonicContact NE-OE2 3.42Å; R162-E165 PolarHBondContact NE-OE2 2.78Å; R162-E165 IonicContact NH2-OE2 2.83Å; R162-R169 WeakPolarHBondContact O-CD 3.48Å; R162-R169 PolarHBondContact O-NH1 3.31Å |
| 163 | I | 94.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 175.9 | -71.6 | 164.6 | 0 | 0 | 0 | 111.2 | F155 A159 E160 K161 E165 D166 Y167 I170 A194 I195 N198 | F155-I163 HydrophobicContact CE1-CG1 4.19Å; F155-I163 HydrophobicContact CE2-CD1 4.24Å; F155-I163 HydrophobicContact CE2-CG1 4.39Å; F155-I163 HydrophobicContact CZ-CD1 4.1Å; F155-I163 HydrophobicContact CZ-CG1 3.8Å; A159-I163 WeakPolarHBondContact O-CB 3.45Å; A159-I163 WeakPolarHBondContact O-CD1 3.39Å; A159-I163 VanDerWaalsContact O-CG1 3.23Å; A159-I163 WeakPolarHBondContact O-CG1 3.47Å; A159-I163 PolarHBondContact O-N 3.3Å; E160-I163 PolarHBondContact O-N 3.21Å; K161-I163 VanDerWaalsContact C-N 3.32Å; K161-I163 PolarHBondContact O-N 3.24Å; I163-E165 VanDerWaalsContact C-N 3.33Å; I163-E165 PolarHBondContact O-N 3.27Å; I163-D166 CarbonylContact O-C 3.53Å; I163-D166 PolarHBondContact O-N 3.49Å; I163-Y167 HydrophobicContact CG2-CD1 3.86Å; I163-Y167 HydrophobicContact CG2-CE1 4.39Å; I163-Y167 VanDerWaalsContact O-CA 3.31Å; I163-Y167 WeakPolarHBondContact O-CA 3.34Å; I163-Y167 PolarHBondContact O-N 2.83Å; I163-Y167 VanDerWaalsContact O-N 3.07Å; I163-I170 HydrophobicContact CD1-CG1 4.23Å; I163-I170 HydrophobicContact CG1-CG1 4.12Å; I163-I170 HydrophobicContact CG2-CD1 3.7Å; I163-I170 HydrophobicContact CG2-CG1 3.59Å; I163-A194 HydrophobicContact CD1-CB 4.02Å; I163-I195 HydrophobicContact CD1-CG1 3.81Å; I163-N198 HydrophobicContact CB-CB 4.49Å; I163-N198 HydrophobicContact CG2-CB 3.43Å; I163-N198 VanDerWaalsContact CG2-CB 3.43Å |
| 164 | Q | 93.3 | Very high | 95 | Very high | 89 Ų | 89 | 37.8 Ų | 37.8 | 42% | 0.416 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.7 | -29 | -179.9 | -72.5 | 171.1 | -0.2 | 0 | 0 | 113.6 | E160 K161 Y167 N198 | E160-Q164 WeakPolarHBondContact O-CG 3.36Å; E160-Q164 PolarHBondContact O-N 2.92Å; E160-Q164 PolarHBondContact OE1-NE2 3.44Å; K161-Q164 PolarHBondContact O-N 2.72Å; Q164-Y167 HydrophobicContact CG-CE1 4.36Å; Q164-N198 VanDerWaalsContact CG-OD1 3.28Å; Q164-N198 WeakPolarHBondContact CG-OD1 3.45Å; Q164-N198 PolarHBondContact NE2-OD1 3Å |
| 165 | E | 89.3 | Confident | 95.1 | Very high | 113 Ų | 113 | 39.4 Ų | 39.4 | 53% | 0.528 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 172.1 | -73.4 | 165.6 | -159.4 | 0 | 0 | 112.4 | K161 R162 I163 R169 | K161-E165 WeakPolarHBondContact O-CG 3.33Å; K161-E165 PolarHBondContact O-N 3.06Å; R162-E165 IonicContact CZ-OE2 3.35Å; R162-E165 IonicContact NE-OE1 2.62Å; R162-E165 IonicContact NE-OE2 3.42Å; R162-E165 PolarHBondContact NE-OE2 2.78Å; R162-E165 IonicContact NH2-OE2 2.83Å; I163-E165 VanDerWaalsContact C-N 3.33Å; I163-E165 PolarHBondContact O-N 3.27Å; E165-R169 IonicContact OE2-CZ 2.7Å; E165-R169 IonicContact OE2-NH1 3.1Å; E165-R169 PolarHBondContact OE2-NH1 3.33Å; E165-R169 IonicContact OE2-NH2 2.7Å; E165-R169 PolarHBondContact OE2-NH2 3.22Å |
| 166 | D | 91.6 | Very high | 95 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 19% | 0.193 | 20% | 0.198 | C | C | . | . | trans | -154 | 104.1 | 173.9 | -178.1 | 7.7 | 0 | 0 | 0 | 110.1 | I163 L168 R169 R209 | I163-D166 CarbonylContact O-C 3.53Å; I163-D166 PolarHBondContact O-N 3.49Å; D166-L168 PolarHBondContact O-N 3.16Å; D166-L168 VanDerWaalsContact OD1-CB 3.31Å; D166-L168 WeakPolarHBondContact OD1-CB 3.48Å; D166-L168 PolarHBondContact OD1-N 2.77Å; D166-L168 VanDerWaalsContact OD1-N 3.14Å; D166-R169 HydrophobicContact CB-CG 4.33Å; D166-R169 VanDerWaalsContact O-CB 3.24Å; D166-R169 WeakPolarHBondContact O-CB 3.46Å; D166-R169 WeakPolarHBondContact O-CG 3.48Å; D166-R169 PolarHBondContact O-N 3.31Å; D166-R209 IonicContact OD1-CZ 2.68Å; D166-R209 IonicContact OD1-NH1 3.36Å; D166-R209 PolarHBondContact OD1-NH1 2.87Å; D166-R209 IonicContact OD1-NH2 3.75Å; D166-R209 IonicContact OD2-CZ 2.67Å; D166-R209 IonicContact OD2-NH1 2.82Å; D166-R209 IonicContact OD2-NH2 2.84Å; D166-R209 PolarHBondContact OD2-NH2 2.97Å | ||
| 167 | Y | 96 | Very high | 95.2 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.7 | -177.4 | -63.3 | -76.1 | 0 | 0 | 0 | 113.3 | I163 Q164 R169 I170 N198 G201 L202 | I163-Y167 HydrophobicContact CG2-CD1 3.86Å; I163-Y167 HydrophobicContact CG2-CE1 4.39Å; I163-Y167 VanDerWaalsContact O-CA 3.31Å; I163-Y167 WeakPolarHBondContact O-CA 3.34Å; I163-Y167 PolarHBondContact O-N 2.83Å; I163-Y167 VanDerWaalsContact O-N 3.07Å; Q164-Y167 HydrophobicContact CG-CE1 4.36Å; Y167-R169 PolarHBondContact O-N 2.92Å; Y167-R169 VanDerWaalsContact O-N 3.16Å; Y167-I170 WeakPolarHBondContact O-CB 3.45Å; Y167-I170 WeakPolarHBondContact O-CG1 3.29Å; Y167-I170 PolarHBondContact O-N 3.35Å; Y167-I170 VanDerWaalsContact O-N 3.15Å; Y167-N198 HydrophobicContact CD1-CB 4.16Å; Y167-N198 HydrophobicContact CE1-CB 3.96Å; Y167-G201 VanDerWaalsContact CG-C 3.48Å; Y167-L202 VanDerWaalsContact O-CD2 3.22Å; Y167-L202 WeakPolarHBondContact O-CD2 3.37Å |
| 168 | L | 96 | Very high | 95.3 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.9 | 172.6 | -170.7 | 68.7 | 0 | 0 | 0 | 112.3 | D166 I170 L171 R172 I205 R209 I210 E213 | D166-L168 PolarHBondContact O-N 3.16Å; D166-L168 VanDerWaalsContact OD1-CB 3.31Å; D166-L168 WeakPolarHBondContact OD1-CB 3.48Å; D166-L168 PolarHBondContact OD1-N 2.77Å; D166-L168 VanDerWaalsContact OD1-N 3.14Å; L168-I170 PolarHBondContact O-N 3.34Å; L168-I170 VanDerWaalsContact O-N 3.15Å; L168-L171 HydrophobicContact CD1-CD1 4.06Å; L168-L171 PolarHBondContact O-N 3.26Å; L168-R172 PolarHBondContact O-N 3.47Å; L168-R172 VanDerWaalsContact O-N 3.14Å; L168-I205 HydrophobicContact CB-CG2 4.27Å; L168-I205 HydrophobicContact CD1-CG2 4.05Å; L168-R209 HydrophobicContact CD1-CB 4.29Å; L168-R209 HydrophobicContact CD2-CB 4.08Å; L168-R209 VanDerWaalsContact CD2-NH2 3.31Å; L168-I210 HydrophobicContact CD1-CG1 4.3Å; L168-E213 HydrophobicContact CD1-CB 4.43Å; L168-E213 HydrophobicContact CD1-CG 3.82Å; L168-E213 HydrophobicContact CD2-CG 4.13Å; L168-E213 HydrophobicContact CG-CG 4.01Å |
| 169 | R | 96.2 | Very high | 95.4 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 8% | 0.075 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -22 | 176.5 | -70.8 | 169.6 | 175.9 | 175.1 | 4.1 | 113.4 | R122 D124 F155 R162 E165 D166 Y167 R172 Y173 | R122-R169 PolarHBondContact O-NH2 2.83Å; D124-R169 HydrophobicContact CB-CG 4Å; F155-R169 HydrophobicContact CE1-CB 4.06Å; R162-R169 WeakPolarHBondContact O-CD 3.48Å; R162-R169 PolarHBondContact O-NH1 3.31Å; E165-R169 IonicContact OE2-CZ 2.7Å; E165-R169 IonicContact OE2-NH1 3.1Å; E165-R169 PolarHBondContact OE2-NH1 3.33Å; E165-R169 IonicContact OE2-NH2 2.7Å; E165-R169 PolarHBondContact OE2-NH2 3.22Å; D166-R169 HydrophobicContact CB-CG 4.33Å; D166-R169 VanDerWaalsContact O-CB 3.24Å; D166-R169 WeakPolarHBondContact O-CB 3.46Å; D166-R169 WeakPolarHBondContact O-CG 3.48Å; D166-R169 PolarHBondContact O-N 3.31Å; Y167-R169 PolarHBondContact O-N 2.92Å; Y167-R169 VanDerWaalsContact O-N 3.16Å; R169-R172 PolarHBondContact O-N 3.03Å; R169-Y173 PolarHBondContact O-N 3.3Å |
| 170 | I | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.3 | -49.7 | 169.5 | -64.5 | 174.2 | 0 | 0 | 0 | 110.4 | I163 Y167 L168 Y173 F174 I195 N198 L202 I235 | I163-I170 HydrophobicContact CD1-CG1 4.23Å; I163-I170 HydrophobicContact CG1-CG1 4.12Å; I163-I170 HydrophobicContact CG2-CD1 3.7Å; I163-I170 HydrophobicContact CG2-CG1 3.59Å; Y167-I170 WeakPolarHBondContact O-CB 3.45Å; Y167-I170 WeakPolarHBondContact O-CG1 3.29Å; Y167-I170 PolarHBondContact O-N 3.35Å; Y167-I170 VanDerWaalsContact O-N 3.15Å; L168-I170 PolarHBondContact O-N 3.34Å; L168-I170 VanDerWaalsContact O-N 3.15Å; I170-Y173 WeakPolarHBondContact O-CB 3.33Å; I170-Y173 PolarHBondContact O-N 3.1Å; I170-F174 HydrophobicContact CG2-CD2 4.35Å; I170-F174 HydrophobicContact CG2-CE2 3.8Å; I170-F174 WeakPolarHBondContact O-CD2 3.37Å; I170-F174 PolarHBondContact O-N 3.36Å; I170-I195 HydrophobicContact CG1-CG1 4.4Å; I170-I195 HydrophobicContact CG2-CG1 4.3Å; I170-I195 HydrophobicContact CG2-CG2 3.67Å; I170-N198 HydrophobicContact CD1-CB 4.42Å; I170-L202 HydrophobicContact CB-CD1 4.34Å; I170-L202 HydrophobicContact CD1-CD1 4.18Å; I170-L202 HydrophobicContact CD1-CG 4.17Å; I170-L202 HydrophobicContact CG2-CD1 4.16Å; I170-I235 HydrophobicContact CG2-CD1 3.59Å; I170-I235 HydrophobicContact CG2-CG1 4.42Å |
| 171 | L | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70 | -36.1 | 179.1 | -59 | -176 | 0 | 0 | 0 | 111.6 | L168 Y173 F174 R175 L202 I210 E213 I217 M230 I235 I239 | L168-L171 HydrophobicContact CD1-CD1 4.06Å; L168-L171 PolarHBondContact O-N 3.26Å; L171-Y173 VanDerWaalsContact C-N 3.3Å; L171-Y173 PolarHBondContact O-N 3.19Å; L171-F174 PolarHBondContact O-N 2.99Å; L171-R175 PolarHBondContact O-N 3.39Å; L171-L202 HydrophobicContact CD1-CD2 4.42Å; L171-L202 HydrophobicContact CD2-CD1 4.49Å; L171-L202 HydrophobicContact CG-CD2 4.22Å; L171-I210 HydrophobicContact CD1-CB 4.1Å; L171-I210 HydrophobicContact CD1-CG1 4Å; L171-I210 HydrophobicContact CD1-CG2 3.76Å; L171-E213 HydrophobicContact CB-CB 3.78Å; L171-E213 HydrophobicContact CB-CG 4.33Å; L171-E213 HydrophobicContact CD1-CB 4.16Å; L171-I217 HydrophobicContact CB-CD1 4.19Å; L171-I217 WeakPolarHBondContact O-CD1 3.09Å; L171-M230 HydrophobicContact CD2-CE 3.58Å; L171-I235 HydrophobicContact CD2-CG2 4.43Å; L171-I239 HydrophobicContact CD1-CG2 4.38Å; L171-I239 HydrophobicContact CD2-CG2 4.38Å |
| 172 | R | 97 | Very high | 95.4 | Very high | 61 Ų | 61 | 31.6 Ų | 31.6 | 23% | 0.23 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | 175.8 | -66.1 | 173 | 54.2 | 93.9 | -2.3 | 111.8 | D124 L168 R169 R175 F176 E213 | D124-R172 IonicContact OD1-NH2 2.92Å; D124-R172 PolarHBondContact OD1-NH2 2.97Å; D124-R172 IonicContact OD2-CZ 3.89Å; D124-R172 IonicContact OD2-NE 3.8Å; D124-R172 PolarHBondContact OD2-NE 2.85Å; D124-R172 IonicContact OD2-NH2 3.73Å; D124-R172 PolarHBondContact OD2-NH2 3.31Å; L168-R172 PolarHBondContact O-N 3.47Å; L168-R172 VanDerWaalsContact O-N 3.14Å; R169-R172 PolarHBondContact O-N 3.03Å; R172-R175 PolarHBondContact O-N 2.98Å; R172-F176 HydrophobicContact CB-CD2 4.16Å; R172-F176 HydrophobicContact CB-CE2 4.21Å; R172-F176 WeakPolarHBondContact O-CB 3.49Å; R172-F176 WeakPolarHBondContact O-CD2 3.08Å; R172-F176 PolarHBondContact O-N 2.96Å; R172-E213 HydrophobicContact CG-CG 4.24Å; R172-E213 IonicContact NH1-OE1 3.3Å |
| 173 | Y | 98 | Very high | 95.6 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.5 | -55 | 171.7 | 170 | -97.4 | 0 | 0 | 0 | 110.9 | V153 F155 R169 I170 L171 R175 F176 Y177 H187 T191 L192 I195 | V153-Y173 HydrophobicContact CB-CE2 4.27Å; V153-Y173 HydrophobicContact CG1-CD2 3.85Å; V153-Y173 HydrophobicContact CG1-CE2 4.01Å; F155-Y173 HydrophobicContact CE2-CD2 4.14Å; F155-Y173 HydrophobicContact CE2-CG 4.49Å; R169-Y173 PolarHBondContact O-N 3.3Å; I170-Y173 WeakPolarHBondContact O-CB 3.33Å; I170-Y173 PolarHBondContact O-N 3.1Å; L171-Y173 VanDerWaalsContact C-N 3.3Å; L171-Y173 PolarHBondContact O-N 3.19Å; Y173-R175 PolarHBondContact O-N 3.41Å; Y173-F176 PolarHBondContact O-N 3.13Å; Y173-Y177 HydrophobicContact CE2-CD2 4.46Å; Y173-Y177 VanDerWaalsContact O-CB 3.32Å; Y173-Y177 WeakPolarHBondContact O-CB 3.41Å; Y173-Y177 PolarHBondContact O-N 3Å; Y173-H187 AromaticContact CE1-ND1 3.61Å; Y173-H187 AromaticContact CZ-ND1 3.57Å; Y173-H187 PolarHBondContact OH-ND1 2.67Å; Y173-T191 HydrophobicContact CD2-CG2 3.91Å; Y173-T191 HydrophobicContact CE1-CG2 4.35Å; Y173-T191 HydrophobicContact CE2-CG2 3.55Å; Y173-T191 HydrophobicContact CG-CG2 4.44Å; Y173-L192 HydrophobicContact CE1-CD2 4.34Å; Y173-I195 HydrophobicContact CD1-CD1 3.46Å; Y173-I195 VanDerWaalsContact CD1-CD1 3.46Å; Y173-I195 HydrophobicContact CE1-CD1 3.83Å; Y173-I195 HydrophobicContact CG-CD1 4.02Å |
| 174 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 179.1 | -64.4 | -68.8 | 0 | 0 | 0 | 112.4 | I170 L171 F176 Y177 G178 I195 I217 L226 L229 M230 I235 | I170-F174 HydrophobicContact CG2-CD2 4.35Å; I170-F174 HydrophobicContact CG2-CE2 3.8Å; I170-F174 WeakPolarHBondContact O-CD2 3.37Å; I170-F174 PolarHBondContact O-N 3.36Å; L171-F174 PolarHBondContact O-N 2.99Å; F174-F176 PolarHBondContact O-N 3.25Å; F174-Y177 PolarHBondContact O-N 3.39Å; F174-G178 PolarHBondContact O-N 3.43Å; F174-G178 VanDerWaalsContact O-N 3.11Å; F174-I195 HydrophobicContact CE2-CD1 4.23Å; F174-I195 HydrophobicContact CE2-CG2 4.25Å; F174-I195 HydrophobicContact CZ-CD1 4.06Å; F174-I195 HydrophobicContact CZ-CG2 4.22Å; F174-I217 HydrophobicContact CB-CD1 4.12Å; F174-L226 HydrophobicContact CD1-CD2 4.13Å; F174-L226 WeakPolarHBondContact O-CD1 3.31Å; F174-L229 HydrophobicContact CE1-CD2 3.97Å; F174-L229 HydrophobicContact CE1-CG 4.05Å; F174-M230 HydrophobicContact CB-CG 4.42Å; F174-M230 HydrophobicContact CB-SD 4.12Å; F174-M230 HydrophobicContact CD1-CG 3.89Å; F174-M230 HydrophobicContact CD2-CG 3.46Å; F174-M230 VanDerWaalsContact CD2-CG 3.46Å; F174-M230 HydrophobicContact CD2-SD 3.97Å; F174-M230 HydrophobicContact CE1-CG 3.94Å; F174-M230 HydrophobicContact CE2-CG 3.55Å; F174-M230 HydrophobicContact CG-CG 3.65Å; F174-M230 HydrophobicContact CG-SD 3.99Å; F174-M230 HydrophobicContact CZ-CG 3.78Å; F174-I235 HydrophobicContact CD2-CD1 4.4Å; F174-I235 HydrophobicContact CE2-CD1 3.41Å; F174-I235 VanDerWaalsContact CE2-CD1 3.41Å; F174-I235 HydrophobicContact CZ-CD1 3.92Å |
| 175 | R | 97.2 | Very high | 95.6 | Very high | 37 Ų | 37 | 35.8 Ų | 35.8 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.5 | -50.4 | 175.6 | -178 | -174.3 | 71.9 | -168.3 | 3.8 | 111.6 | L171 R172 Y173 G178 R179 E213 K216 I217 | L171-R175 PolarHBondContact O-N 3.39Å; R172-R175 PolarHBondContact O-N 2.98Å; Y173-R175 PolarHBondContact O-N 3.41Å; R175-G178 PolarHBondContact O-N 3.32Å; R175-R179 PolarHBondContact O-N 3.4Å; R175-E213 WeakPolarHBondContact CD-OE2 3.48Å; R175-E213 IonicContact CZ-OE1 3.03Å; R175-E213 IonicContact CZ-OE2 3.92Å; R175-E213 IonicContact NE-OE2 2.71Å; R175-E213 PolarHBondContact NE-OE2 3.37Å; R175-E213 IonicContact NH1-OE1 3.87Å; R175-E213 PolarHBondContact NH1-OE1 3.36Å; R175-E213 IonicContact NH1-OE2 3.07Å; R175-E213 PolarHBondContact NH1-OE2 2.7Å; R175-E213 IonicContact NH2-OE1 3.67Å; R175-K216 HydrophobicContact CG-CB 4.04Å; R175-I217 HydrophobicContact CB-CG1 3.86Å |
| 176 | F | 96.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.1 | -27.8 | -176.2 | -71.9 | -59.2 | 0 | 0 | 0 | 112.6 | L125 N128 V153 R172 Y173 F174 G178 R179 V180 | L125-F176 HydrophobicContact CD1-CB 3.64Å; L125-F176 HydrophobicContact CD1-CD2 3.35Å; L125-F176 HydrophobicContact CD1-CE2 4.19Å; L125-F176 HydrophobicContact CD1-CG 3.81Å; N128-F176 WeakPolarHBondContact ND2-CD2 3.46Å; N128-F176 WeakPolarHBondContact ND2-CE2 3.31Å; N128-F176 WeakPolarHBondContact ND2-CZ 3.36Å; V153-F176 HydrophobicContact CG1-CB 4.47Å; R172-F176 HydrophobicContact CB-CD2 4.16Å; R172-F176 HydrophobicContact CB-CE2 4.21Å; R172-F176 WeakPolarHBondContact O-CB 3.49Å; R172-F176 WeakPolarHBondContact O-CD2 3.08Å; R172-F176 PolarHBondContact O-N 2.96Å; Y173-F176 PolarHBondContact O-N 3.13Å; F174-F176 PolarHBondContact O-N 3.25Å; F176-G178 VanDerWaalsContact C-N 3.34Å; F176-R179 PolarHBondContact O-N 2.84Å; F176-R179 VanDerWaalsContact O-N 3.09Å; F176-V180 WeakPolarHBondContact O-CB 3.26Å; F176-V180 WeakPolarHBondContact O-CG2 3.35Å; F176-V180 PolarHBondContact O-N 3.48Å |
| 177 | Y | 97.8 | Very high | 96 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.2 | -50.6 | 168.1 | -164 | -80.9 | 0 | 0 | 0 | 110.6 | V153 Y173 F174 R179 V180 A181 A183 K186 H187 L226 | V153-Y177 HydrophobicContact CB-CD2 4.23Å; V153-Y177 HydrophobicContact CG2-CD2 4.32Å; Y173-Y177 HydrophobicContact CE2-CD2 4.46Å; Y173-Y177 VanDerWaalsContact O-CB 3.32Å; Y173-Y177 WeakPolarHBondContact O-CB 3.41Å; Y173-Y177 PolarHBondContact O-N 3Å; F174-Y177 PolarHBondContact O-N 3.39Å; Y177-R179 PolarHBondContact O-N 2.9Å; Y177-V180 PolarHBondContact O-N 3.27Å; Y177-A181 HydrophobicContact CD1-CB 3.62Å; Y177-A181 HydrophobicContact CD2-CB 4.3Å; Y177-A181 HydrophobicContact CE1-CB 3.37Å; Y177-A181 HydrophobicContact CE2-CB 4.05Å; Y177-A181 HydrophobicContact CG-CB 4.1Å; Y177-A181 VanDerWaalsContact O-CB 3.22Å; Y177-A181 WeakPolarHBondContact O-CB 3.19Å; Y177-A181 PolarHBondContact O-N 3.19Å; Y177-A183 WeakPolarHBondContact CE1-O 3.45Å; Y177-A183 PolarHBondContact OH-O 3.29Å; Y177-K186 VanDerWaalsContact OH-CA 3.3Å; Y177-K186 WeakPolarHBondContact OH-CA 3.42Å; Y177-K186 PolarHBondContact OH-N 2.94Å; Y177-K186 PolarHBondContact OH-O 3.03Å; Y177-H187 AromaticContact CD1-CE1 3.52Å; Y177-H187 AromaticContact CD1-NE2 3.85Å; Y177-H187 AromaticContact CD2-CE1 3.39Å; Y177-H187 WeakPolarHBondContact CD2-CE1 3.26Å; Y177-H187 AromaticContact CD2-ND1 3.5Å; Y177-H187 WeakPolarHBondContact CD2-ND1 3.5Å; Y177-H187 AromaticContact CE1-CE1 3.48Å; Y177-H187 VanDerWaalsContact CE1-CE1 3.48Å; Y177-H187 WeakPolarHBondContact CE1-CE1 3.42Å; Y177-H187 AromaticContact CE1-NE2 3.43Å; Y177-H187 WeakPolarHBondContact CE1-NE2 3.39Å; Y177-H187 AromaticContact CE2-CE1 3.39Å; Y177-H187 WeakPolarHBondContact CE2-CE1 3.33Å; Y177-H187 AromaticContact CE2-CG 3.81Å; Y177-H187 AromaticContact CE2-ND1 3.32Å; Y177-H187 VanDerWaalsContact CE2-ND1 3.32Å; Y177-H187 WeakPolarHBondContact CE2-ND1 3.35Å; Y177-H187 AromaticContact CE2-NE2 3.91Å; Y177-H187 AromaticContact CG-CE1 3.45Å; Y177-H187 VanDerWaalsContact CG-CE1 3.45Å; Y177-H187 AromaticContact CZ-CD2 3.76Å; Y177-H187 AromaticContact CZ-CE1 3.42Å; Y177-H187 VanDerWaalsContact CZ-CE1 3.42Å; Y177-H187 AromaticContact CZ-CG 3.91Å; Y177-H187 AromaticContact CZ-ND1 3.71Å; Y177-H187 AromaticContact CZ-NE2 3.47Å; Y177-H187 PolarHBondContact OH-N 3.2Å; Y177-L226 HydrophobicContact CD1-CD2 3.71Å; Y177-L226 HydrophobicContact CE1-CD2 4.45Å; Y177-L226 HydrophobicContact CG-CD2 4.22Å |
| 178 | G | 96.1 | Very high | 96 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59 | -32.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F174 R175 F176 R221 | F174-G178 PolarHBondContact O-N 3.43Å; F174-G178 VanDerWaalsContact O-N 3.11Å; R175-G178 PolarHBondContact O-N 3.32Å; F176-G178 VanDerWaalsContact C-N 3.34Å; G178-R221 WeakPolarHBondContact CA-O 3.19Å; G178-R221 VanDerWaalsContact O-CB 3.26Å; G178-R221 WeakPolarHBondContact O-CB 3.42Å |
| 179 | R | 94.2 | Very high | 96 | Very high | 107 Ų | 107 | 39.8 Ų | 39.8 | 40% | 0.404 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -75.2 | -39.9 | 178.9 | -171.9 | 62.1 | 168 | -169.2 | -3.5 | 112.9 | D39 M42 R175 F176 Y177 | D39-R179 IonicContact OD1-CZ 3.46Å; D39-R179 IonicContact OD1-NE 3.38Å; D39-R179 PolarHBondContact OD1-NE 2.91Å; D39-R179 IonicContact OD1-NH2 3.64Å; D39-R179 IonicContact OD2-CZ 2.64Å; D39-R179 IonicContact OD2-NE 2.69Å; D39-R179 IonicContact OD2-NH2 3.38Å; D39-R179 PolarHBondContact OD2-NH2 2.83Å; M42-R179 VanDerWaalsContact CE-O 3.29Å; M42-R179 WeakPolarHBondContact CE-O 3.48Å; R175-R179 PolarHBondContact O-N 3.4Å; F176-R179 PolarHBondContact O-N 2.84Å; F176-R179 VanDerWaalsContact O-N 3.09Å; Y177-R179 PolarHBondContact O-N 2.9Å |
| 180 | V | 95.5 | Very high | 96 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -100.2 | -47.8 | -167.9 | 177 | 0 | 0 | 0 | 0 | 112.6 | R38 M42 V127 R151 V153 F176 Y177 | R38-V180 HydrophobicContact CG-CG2 4.45Å; M42-V180 HydrophobicContact SD-CG2 4.15Å; V127-V180 HydrophobicContact CG2-CG2 4.36Å; R151-V180 WeakPolarHBondContact CD-O 3.33Å; V153-V180 HydrophobicContact CG2-CB 3.71Å; V153-V180 HydrophobicContact CG2-CG1 4.03Å; V153-V180 HydrophobicContact CG2-CG2 4.29Å; F176-V180 WeakPolarHBondContact O-CB 3.26Å; F176-V180 WeakPolarHBondContact O-CG2 3.35Å; F176-V180 PolarHBondContact O-N 3.48Å; Y177-V180 PolarHBondContact O-N 3.27Å |
| 181 | A | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -62.7 | 148.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R151 Y177 R221 | R151-A181 WeakPolarHBondContact O-CA 3.5Å; Y177-A181 HydrophobicContact CD1-CB 3.62Å; Y177-A181 HydrophobicContact CD2-CB 4.3Å; Y177-A181 HydrophobicContact CE1-CB 3.37Å; Y177-A181 HydrophobicContact CE2-CB 4.05Å; Y177-A181 HydrophobicContact CG-CB 4.1Å; Y177-A181 VanDerWaalsContact O-CB 3.22Å; Y177-A181 WeakPolarHBondContact O-CB 3.19Å; Y177-A181 PolarHBondContact O-N 3.19Å; A181-R221 PolarHBondContact O-NH2 3.35Å | ||
| 182 | D | 93.5 | Very high | 95.9 | Very high | 86 Ų | 86 | 43 Ų | 43 | 46% | 0.46 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -87 | -33.8 | 174.1 | 63 | -17.5 | 0 | 0 | 0 | 112.1 | R151 K186 | R151-D182 HydrophobicContact CB-CB 4.27Å; R151-D182 HydrophobicContact CG-CB 4.13Å; D182-K186 IonicContact OD1-NZ 3.6Å; D182-K186 PolarHBondContact OD1-NZ 3.34Å; D182-K186 IonicContact OD2-NZ 2.86Å; D182-K186 PolarHBondContact OD2-NZ 2.93Å |
| 183 | A | 95.5 | Very high | 95.9 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -118.6 | 150.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y177 D185 K186 | Y177-A183 WeakPolarHBondContact CE1-O 3.45Å; Y177-A183 PolarHBondContact OH-O 3.29Å; A183-D185 VanDerWaalsContact C-N 3.34Å; A183-D185 PolarHBondContact O-N 3.4Å; A183-K186 HydrophobicContact CB-CD 3.94Å; A183-K186 HydrophobicContact CB-CG 4Å |
| 184 | P | 94.2 | Very high | 95.9 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -78.2 | -10.8 | -176.2 | 30.9 | -35.3 | 0 | 0 | 0 | 115.1 | H187 H222 S225 | P184-H187 PolarHBondContact O-CD2 3.3Å; P184-H187 PolarHBondContact O-NE2 2.95Å; P184-H187 VanDerWaalsContact O-NE2 3.1Å; P184-H222 HydrophobicContact CB-CB 4.15Å; P184-S225 WeakPolarHBondContact CB-OG 3.5Å |
| 185 | D | 93.4 | Very high | 95.9 | Very high | 127 Ų | 127 | 44.6 Ų | 44.6 | 68% | 0.679 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -126.1 | 2.9 | -162.5 | 61.2 | -22.3 | 0 | 0 | 0 | 114.4 | A183 H187 | A183-D185 VanDerWaalsContact C-N 3.34Å; A183-D185 PolarHBondContact O-N 3.4Å; D185-H187 PolarHBondContact O-N 3.24Å; D185-H187 VanDerWaalsContact O-N 3.08Å |
| 186 | K | 94.4 | Very high | 95.9 | Very high | 127 Ų | 127 | 47.6 Ų | 47.6 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | trans | -85.7 | 48.4 | 177.5 | -63.6 | 179.7 | -171.9 | 164.2 | 0 | 112.2 | Y177 D182 A183 | Y177-K186 VanDerWaalsContact OH-CA 3.3Å; Y177-K186 WeakPolarHBondContact OH-CA 3.42Å; Y177-K186 PolarHBondContact OH-N 2.94Å; Y177-K186 PolarHBondContact OH-O 3.03Å; D182-K186 IonicContact OD1-NZ 3.6Å; D182-K186 PolarHBondContact OD1-NZ 3.34Å; D182-K186 IonicContact OD2-NZ 2.86Å; D182-K186 PolarHBondContact OD2-NZ 2.93Å; A183-K186 HydrophobicContact CB-CD 3.94Å; A183-K186 HydrophobicContact CB-CG 4Å | ||
| 187 | H | 96 | Very high | 96 | Very high | 30 Ų | 30 | 53.3 Ų | 53.3 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | trans | -79.8 | 146.6 | 178 | -67.6 | -88.8 | 0 | 0 | 0 | 110.7 | Y173 Y177 P184 D185 L192 L229 | Y173-H187 AromaticContact CE1-ND1 3.61Å; Y173-H187 AromaticContact CZ-ND1 3.57Å; Y173-H187 PolarHBondContact OH-ND1 2.67Å; Y177-H187 AromaticContact CD1-CE1 3.52Å; Y177-H187 AromaticContact CD1-NE2 3.85Å; Y177-H187 AromaticContact CD2-CE1 3.39Å; Y177-H187 WeakPolarHBondContact CD2-CE1 3.26Å; Y177-H187 AromaticContact CD2-ND1 3.5Å; Y177-H187 WeakPolarHBondContact CD2-ND1 3.5Å; Y177-H187 AromaticContact CE1-CE1 3.48Å; Y177-H187 VanDerWaalsContact CE1-CE1 3.48Å; Y177-H187 WeakPolarHBondContact CE1-CE1 3.42Å; Y177-H187 AromaticContact CE1-NE2 3.43Å; Y177-H187 WeakPolarHBondContact CE1-NE2 3.39Å; Y177-H187 AromaticContact CE2-CE1 3.39Å; Y177-H187 WeakPolarHBondContact CE2-CE1 3.33Å; Y177-H187 AromaticContact CE2-CG 3.81Å; Y177-H187 AromaticContact CE2-ND1 3.32Å; Y177-H187 VanDerWaalsContact CE2-ND1 3.32Å; Y177-H187 WeakPolarHBondContact CE2-ND1 3.35Å; Y177-H187 AromaticContact CE2-NE2 3.91Å; Y177-H187 AromaticContact CG-CE1 3.45Å; Y177-H187 VanDerWaalsContact CG-CE1 3.45Å; Y177-H187 AromaticContact CZ-CD2 3.76Å; Y177-H187 AromaticContact CZ-CE1 3.42Å; Y177-H187 VanDerWaalsContact CZ-CE1 3.42Å; Y177-H187 AromaticContact CZ-CG 3.91Å; Y177-H187 AromaticContact CZ-ND1 3.71Å; Y177-H187 AromaticContact CZ-NE2 3.47Å; Y177-H187 PolarHBondContact OH-N 3.2Å; P184-H187 PolarHBondContact O-CD2 3.3Å; P184-H187 PolarHBondContact O-NE2 2.95Å; P184-H187 VanDerWaalsContact O-NE2 3.1Å; D185-H187 PolarHBondContact O-N 3.24Å; D185-H187 VanDerWaalsContact O-N 3.08Å; H187-L192 HydrophobicContact CB-CD1 3.77Å; H187-L192 HydrophobicContact CB-CD2 4.08Å; H187-L192 HydrophobicContact CB-CG 3.98Å; H187-L229 WeakPolarHBondContact CD2-CD2 3.27Å; H187-L229 VanDerWaalsContact CE1-CD2 3.48Å; H187-L229 WeakPolarHBondContact CE1-CD2 3.44Å; H187-L229 WeakPolarHBondContact NE2-CD2 3.46Å | ||
| 188 | E | 95 | Very high | 96 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 28% | 0.276 | 26% | 0.263 | S | S | . | . | trans | -78.5 | 123.9 | 169.7 | -63.2 | -163.1 | 147.8 | 0 | 0 | 110.4 | R152 S190 T191 L192 | R152-E188 IonicContact CZ-OE1 3.38Å; R152-E188 IonicContact NE-OE1 2.88Å; R152-E188 PolarHBondContact NE-OE1 2.63Å; R152-E188 VanDerWaalsContact NH2-CD 3.31Å; R152-E188 IonicContact NH2-OE1 3.38Å; R152-E188 PolarHBondContact NH2-OE1 2.86Å; R152-E188 IonicContact NH2-OE2 3.62Å; R152-E188 PolarHBondContact NH2-OE2 2.97Å; E188-S190 VanDerWaalsContact C-N 3.27Å; E188-S190 PolarHBondContact O-N 2.69Å; E188-T191 WeakPolarHBondContact O-CB 3.29Å; E188-T191 PolarHBondContact O-N 3.13Å; E188-L192 PolarHBondContact O-N 2.95Å; E188-L192 VanDerWaalsContact O-N 3.08Å | ||
| 189 | E | 95.6 | Very high | 96.1 | Very high | 97 Ų | 97 | 53.7 Ų | 53.7 | 45% | 0.453 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -37.6 | -176.7 | -169.2 | 56.5 | -143.7 | 0 | 0 | 112.2 | T191 L192 E193 R196 | E189-T191 VanDerWaalsContact C-N 3.28Å; E189-T191 PolarHBondContact O-N 2.64Å; E189-L192 PolarHBondContact O-N 3.38Å; E189-L192 VanDerWaalsContact O-N 3.13Å; E189-E193 WeakPolarHBondContact O-CG 2.76Å; E189-E193 PolarHBondContact O-N 3.37Å; E189-R196 IonicContact OE1-CZ 3.5Å; E189-R196 IonicContact OE1-NH1 3.84Å; E189-R196 PolarHBondContact OE1-NH1 3.31Å; E189-R196 IonicContact OE1-NH2 3.67Å; E189-R196 PolarHBondContact OE1-NH2 3.27Å; E189-R196 IonicContact OE2-NH2 3.73Å |
| 190 | S | 95.8 | Very high | 96.2 | Very high | 75 Ų | 75 | 55.7 Ų | 55.7 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59 | -37.9 | 175 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | E188 A194 | E188-S190 VanDerWaalsContact C-N 3.27Å; E188-S190 PolarHBondContact O-N 2.69Å; S190-A194 PolarHBondContact O-N 3.04Å; S190-A194 VanDerWaalsContact O-N 3.08Å |
| 191 | T | 96.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70 | -42.3 | 175.7 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | F155 Y173 E188 E189 A194 I195 | F155-T191 HydrophobicContact CD2-CG2 4.07Å; F155-T191 HydrophobicContact CE2-CG2 3.79Å; Y173-T191 HydrophobicContact CD2-CG2 3.91Å; Y173-T191 HydrophobicContact CE1-CG2 4.35Å; Y173-T191 HydrophobicContact CE2-CG2 3.55Å; Y173-T191 HydrophobicContact CG-CG2 4.44Å; E188-T191 WeakPolarHBondContact O-CB 3.29Å; E188-T191 PolarHBondContact O-N 3.13Å; E189-T191 VanDerWaalsContact C-N 3.28Å; E189-T191 PolarHBondContact O-N 2.64Å; T191-A194 PolarHBondContact O-N 3.22Å; T191-I195 HydrophobicContact CG2-CD1 4.05Å; T191-I195 WeakPolarHBondContact O-CG1 3.25Å; T191-I195 PolarHBondContact O-N 2.97Å |
| 192 | L | 97.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.6 | -62.3 | -175.8 | 0 | 0 | 0 | 111.8 | Y173 H187 E188 E189 I195 R196 L229 | Y173-L192 HydrophobicContact CE1-CD2 4.34Å; H187-L192 HydrophobicContact CB-CD1 3.77Å; H187-L192 HydrophobicContact CB-CD2 4.08Å; H187-L192 HydrophobicContact CB-CG 3.98Å; E188-L192 PolarHBondContact O-N 2.95Å; E188-L192 VanDerWaalsContact O-N 3.08Å; E189-L192 PolarHBondContact O-N 3.38Å; E189-L192 VanDerWaalsContact O-N 3.13Å; L192-I195 HydrophobicContact CD2-CD1 4.49Å; L192-I195 WeakPolarHBondContact O-CB 3.36Å; L192-I195 PolarHBondContact O-N 3.43Å; L192-R196 VanDerWaalsContact O-CG 3.32Å; L192-R196 WeakPolarHBondContact O-CG 3.44Å; L192-R196 PolarHBondContact O-N 3.38Å; L192-L229 HydrophobicContact CD1-CD1 4.27Å; L192-L229 HydrophobicContact CD2-CD2 4.02Å; L192-L229 HydrophobicContact CD2-CG 4.46Å |
| 193 | E | 97.6 | Very high | 96.4 | Very high | 92 Ų | 92 | 55.7 Ų | 55.7 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 173.6 | -75 | -179.2 | -174 | 0 | 0 | 112.1 | E189 I195 R196 K197 | E189-E193 WeakPolarHBondContact O-CG 2.76Å; E189-E193 PolarHBondContact O-N 3.37Å; E193-I195 VanDerWaalsContact C-N 3.29Å; E193-I195 PolarHBondContact O-N 3.16Å; E193-R196 PolarHBondContact O-N 3.11Å; E193-K197 VanDerWaalsContact O-CG 3.31Å; E193-K197 WeakPolarHBondContact O-CG 3.5Å; E193-K197 PolarHBondContact O-N 3.38Å |
| 194 | A | 97.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A159 E160 I163 S190 T191 N198 | A159-A194 HydrophobicContact CB-CB 4.07Å; E160-A194 HydrophobicContact CB-CB 4.1Å; I163-A194 HydrophobicContact CD1-CB 4.02Å; S190-A194 PolarHBondContact O-N 3.04Å; S190-A194 VanDerWaalsContact O-N 3.08Å; T191-A194 PolarHBondContact O-N 3.22Å; A194-N198 WeakPolarHBondContact O-CB 3.28Å; A194-N198 PolarHBondContact O-N 3.33Å; A194-N198 PolarHBondContact O-ND2 3.32Å |
| 195 | I | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -50.2 | 174.8 | -71.8 | 167.6 | 0 | 0 | 0 | 111 | I163 I170 Y173 F174 T191 L192 E193 K197 N198 A199 C233 I235 | I163-I195 HydrophobicContact CD1-CG1 3.81Å; I170-I195 HydrophobicContact CG1-CG1 4.4Å; I170-I195 HydrophobicContact CG2-CG1 4.3Å; I170-I195 HydrophobicContact CG2-CG2 3.67Å; Y173-I195 HydrophobicContact CD1-CD1 3.46Å; Y173-I195 VanDerWaalsContact CD1-CD1 3.46Å; Y173-I195 HydrophobicContact CE1-CD1 3.83Å; Y173-I195 HydrophobicContact CG-CD1 4.02Å; F174-I195 HydrophobicContact CE2-CD1 4.23Å; F174-I195 HydrophobicContact CE2-CG2 4.25Å; F174-I195 HydrophobicContact CZ-CD1 4.06Å; F174-I195 HydrophobicContact CZ-CG2 4.22Å; T191-I195 HydrophobicContact CG2-CD1 4.05Å; T191-I195 WeakPolarHBondContact O-CG1 3.25Å; T191-I195 PolarHBondContact O-N 2.97Å; L192-I195 HydrophobicContact CD2-CD1 4.49Å; L192-I195 WeakPolarHBondContact O-CB 3.36Å; L192-I195 PolarHBondContact O-N 3.43Å; E193-I195 VanDerWaalsContact C-N 3.29Å; E193-I195 PolarHBondContact O-N 3.16Å; I195-K197 VanDerWaalsContact C-N 3.35Å; I195-K197 PolarHBondContact O-N 3.01Å; I195-N198 CarbonylContact O-C 3.51Å; I195-N198 PolarHBondContact O-N 3.38Å; I195-N198 VanDerWaalsContact O-N 3.14Å; I195-A199 PolarHBondContact O-N 3.39Å; I195-C233 HydrophobicContact CG2-CB 4.21Å; I195-I235 HydrophobicContact CG2-CD1 3.83Å; I195-I235 HydrophobicContact CG2-CG1 4.46Å |
| 196 | R | 98 | Very high | 96.6 | Very high | 100 Ų | 100 | 53.5 Ų | 53.5 | 38% | 0.377 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | -179.7 | -71 | -177.4 | -155.1 | 112.7 | -5.2 | 111.7 | E189 L192 E193 N198 C233 | E189-R196 IonicContact OE1-CZ 3.5Å; E189-R196 IonicContact OE1-NH1 3.84Å; E189-R196 PolarHBondContact OE1-NH1 3.31Å; E189-R196 IonicContact OE1-NH2 3.67Å; E189-R196 PolarHBondContact OE1-NH2 3.27Å; E189-R196 IonicContact OE2-NH2 3.73Å; L192-R196 VanDerWaalsContact O-CG 3.32Å; L192-R196 WeakPolarHBondContact O-CG 3.44Å; L192-R196 PolarHBondContact O-N 3.38Å; E193-R196 PolarHBondContact O-N 3.11Å; R196-N198 VanDerWaalsContact C-N 3.26Å; R196-N198 PolarHBondContact O-N 2.89Å; R196-C233 HydrophobicContact CG-CB 3.98Å |
| 197 | K | 97.8 | Very high | 96.7 | Very high | 134 Ų | 134 | 47.8 Ų | 47.8 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.4 | -34.2 | 177.7 | -72.4 | 173.1 | -174.1 | 171.8 | 0 | 112.8 | E193 I195 | E193-K197 VanDerWaalsContact O-CG 3.31Å; E193-K197 WeakPolarHBondContact O-CG 3.5Å; E193-K197 PolarHBondContact O-N 3.38Å; I195-K197 VanDerWaalsContact C-N 3.35Å; I195-K197 PolarHBondContact O-N 3.01Å |
| 198 | N | 97.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -108.2 | 1.1 | -171.4 | -68.5 | -79.7 | 0 | 0 | 0 | 114.4 | I163 Q164 Y167 I170 A194 I195 R196 K200 G201 | I163-N198 HydrophobicContact CB-CB 4.49Å; I163-N198 HydrophobicContact CG2-CB 3.43Å; I163-N198 VanDerWaalsContact CG2-CB 3.43Å; Q164-N198 VanDerWaalsContact CG-OD1 3.28Å; Q164-N198 WeakPolarHBondContact CG-OD1 3.45Å; Q164-N198 PolarHBondContact NE2-OD1 3Å; Y167-N198 HydrophobicContact CD1-CB 4.16Å; Y167-N198 HydrophobicContact CE1-CB 3.96Å; I170-N198 HydrophobicContact CD1-CB 4.42Å; A194-N198 WeakPolarHBondContact O-CB 3.28Å; A194-N198 PolarHBondContact O-N 3.33Å; A194-N198 PolarHBondContact O-ND2 3.32Å; I195-N198 CarbonylContact O-C 3.51Å; I195-N198 PolarHBondContact O-N 3.38Å; I195-N198 VanDerWaalsContact O-N 3.14Å; R196-N198 VanDerWaalsContact C-N 3.26Å; R196-N198 PolarHBondContact O-N 2.89Å; N198-K200 PolarHBondContact O-N 2.95Å; N198-K200 VanDerWaalsContact O-N 3.13Å; N198-G201 PolarHBondContact O-N 3.08Å |
| 199 | A | 97.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -52.7 | -38.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I195 G201 L202 I235 Y238 | I195-A199 PolarHBondContact O-N 3.39Å; A199-G201 PolarHBondContact O-N 3.47Å; A199-L202 WeakPolarHBondContact O-CB 3.38Å; A199-L202 PolarHBondContact O-N 3.1Å; A199-L202 VanDerWaalsContact O-N 3.09Å; A199-I235 HydrophobicContact CB-CG1 4.01Å; A199-Y238 HydrophobicContact CB-CD2 4.16Å; A199-Y238 HydrophobicContact CB-CE2 4.1Å; A199-Y238 VanDerWaalsContact O-CD2 3.26Å; A199-Y238 WeakPolarHBondContact O-CD2 3.3Å |
| 200 | K | 97.2 | Very high | 96.8 | Very high | 148 Ų | 148 | 48.7 Ų | 48.7 | 64% | 0.643 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -57.2 | -30.3 | 177.1 | -175.2 | 178.8 | 177.3 | -177.4 | 0 | 113.6 | N198 L202 S203 Y238 | N198-K200 PolarHBondContact O-N 2.95Å; N198-K200 VanDerWaalsContact O-N 3.13Å; K200-L202 PolarHBondContact O-N 3.46Å; K200-S203 VanDerWaalsContact O-CB 3.26Å; K200-S203 WeakPolarHBondContact O-CB 3.42Å; K200-S203 PolarHBondContact O-N 3.47Å; K200-S203 PolarHBondContact O-OG 3.42Å; K200-Y238 HydrophobicContact CB-CE1 4.14Å; K200-Y238 HydrophobicContact CB-CE2 4.18Å; K200-Y238 HydrophobicContact CG-CE1 3.95Å |
| 201 | G | 96.7 | Very high | 96.9 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 19% | 0.186 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -63.1 | -22.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y167 N198 A199 S203 G204 | Y167-G201 VanDerWaalsContact CG-C 3.48Å; N198-G201 PolarHBondContact O-N 3.08Å; A199-G201 PolarHBondContact O-N 3.47Å; G201-S203 PolarHBondContact O-N 2.87Å; G201-S203 VanDerWaalsContact O-N 3.1Å; G201-G204 PolarHBondContact O-N 2.87Å |
| 202 | L | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -58.9 | -22.7 | 171.7 | -73.8 | 166.6 | 0 | 0 | 0 | 112.7 | Y167 I170 L171 A199 K200 G204 I205 I235 I239 R284 | Y167-L202 VanDerWaalsContact O-CD2 3.22Å; Y167-L202 WeakPolarHBondContact O-CD2 3.37Å; I170-L202 HydrophobicContact CB-CD1 4.34Å; I170-L202 HydrophobicContact CD1-CD1 4.18Å; I170-L202 HydrophobicContact CD1-CG 4.17Å; I170-L202 HydrophobicContact CG2-CD1 4.16Å; L171-L202 HydrophobicContact CD1-CD2 4.42Å; L171-L202 HydrophobicContact CD2-CD1 4.49Å; L171-L202 HydrophobicContact CG-CD2 4.22Å; A199-L202 WeakPolarHBondContact O-CB 3.38Å; A199-L202 PolarHBondContact O-N 3.1Å; A199-L202 VanDerWaalsContact O-N 3.09Å; K200-L202 PolarHBondContact O-N 3.46Å; L202-G204 PolarHBondContact O-N 3.49Å; L202-I205 HydrophobicContact CD2-CG1 4.39Å; L202-I205 PolarHBondContact O-N 3.42Å; L202-I235 HydrophobicContact CD1-CG1 4.49Å; L202-I235 HydrophobicContact CD1-CG2 3.51Å; L202-I239 HydrophobicContact CD1-CG2 4.13Å; L202-R284 PolarHBondContact O-NH2 3.18Å |
| 203 | S | 95.8 | Very high | 96.9 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 48% | 0.476 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.9 | 173.2 | -48 | 0 | 0 | 0 | 0 | 113.1 | K200 G201 Y238 | K200-S203 VanDerWaalsContact O-CB 3.26Å; K200-S203 WeakPolarHBondContact O-CB 3.42Å; K200-S203 PolarHBondContact O-N 3.47Å; K200-S203 PolarHBondContact O-OG 3.42Å; G201-S203 PolarHBondContact O-N 2.87Å; G201-S203 VanDerWaalsContact O-N 3.1Å; S203-Y238 WeakPolarHBondContact OG-CD1 3.4Å |
| 204 | G | 94.7 | Very high | 96.9 | Very high | 71 Ų | 71 | 44.4 Ų | 44.4 | 73% | 0.732 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -84.9 | -8.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G201 L202 | G201-G204 PolarHBondContact O-N 2.87Å; L202-G204 PolarHBondContact O-N 3.49Å |
| 205 | I | 95.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.087 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -89.1 | 137.2 | -179.3 | -54 | -60.9 | 0 | 0 | 0 | 110 | L168 L202 R209 I210 R284 | L168-I205 HydrophobicContact CB-CG2 4.27Å; L168-I205 HydrophobicContact CD1-CG2 4.05Å; L202-I205 HydrophobicContact CD2-CG1 4.39Å; L202-I205 PolarHBondContact O-N 3.42Å; I205-R209 HydrophobicContact CG2-CB 3.88Å; I205-I210 HydrophobicContact CB-CD1 4.15Å; I205-I210 HydrophobicContact CB-CG1 4.26Å; I205-I210 HydrophobicContact CG2-CD1 4.37Å; I205-I210 HydrophobicContact CG2-CG1 3.97Å; I205-R284 PolarHBondContact O-NH1 3.05Å; I205-R284 VanDerWaalsContact O-NH1 3.14Å; I205-R284 PolarHBondContact O-NH2 3.31Å |
| 206 | S | 95.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 38% | 0.378 | 27% | 0.273 | S | S | . | . | trans | -58.7 | 145.8 | 178.9 | 78.4 | 0 | 0 | 0 | 0 | 111.7 | E208 R209 I210 | S206-E208 VanDerWaalsContact C-N 3.25Å; S206-E208 WeakPolarHBondContact CB-OE2 3.3Å; S206-E208 PolarHBondContact O-N 3.03Å; S206-E208 PolarHBondContact OG-OE2 2.93Å; S206-R209 PolarHBondContact O-N 2.98Å; S206-R209 WeakPolarHBondContact OG-CG 3.46Å; S206-R209 PolarHBondContact OG-N 3.22Å; S206-I210 PolarHBondContact O-N 3.27Å | ||
| 207 | G | 96.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -39.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | R209 I210 W211 R284 L285 | G207-R209 PolarHBondContact O-N 2.91Å; G207-I210 PolarHBondContact O-N 3.49Å; G207-W211 WeakPolarHBondContact O-CB 3.04Å; G207-W211 PolarHBondContact O-N 3.29Å; G207-R284 WeakPolarHBondContact CA-O 3.39Å; G207-L285 CarbonylContact C-O 3.44Å |
| 208 | E | 96 | Very high | 96.8 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.9 | -41.8 | -179.5 | -57.8 | 83.7 | 172.8 | 0 | 0 | 111.4 | S206 W211 V212 K286 | S206-E208 VanDerWaalsContact C-N 3.25Å; S206-E208 WeakPolarHBondContact CB-OE2 3.3Å; S206-E208 PolarHBondContact O-N 3.03Å; S206-E208 PolarHBondContact OG-OE2 2.93Å; E208-W211 PolarHBondContact O-N 3.46Å; E208-V212 VanDerWaalsContact O-CG2 3.32Å; E208-V212 WeakPolarHBondContact O-CG2 3.5Å; E208-V212 PolarHBondContact O-N 3.31Å; E208-K286 HydrophobicContact CG-CB 4.29Å; E208-K286 WeakPolarHBondContact OE1-CG 3.31Å |
| 209 | R | 96 | Very high | 96.7 | Very high | 105 Ų | 105 | 44 Ų | 44 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.9 | -42 | 178.2 | -75.2 | -177.1 | 78.4 | -149.4 | -1.7 | 111.2 | D166 L168 I205 S206 G207 W211 E213 | D166-R209 IonicContact OD1-CZ 2.68Å; D166-R209 IonicContact OD1-NH1 3.36Å; D166-R209 PolarHBondContact OD1-NH1 2.87Å; D166-R209 IonicContact OD1-NH2 3.75Å; D166-R209 IonicContact OD2-CZ 2.67Å; D166-R209 IonicContact OD2-NH1 2.82Å; D166-R209 IonicContact OD2-NH2 2.84Å; D166-R209 PolarHBondContact OD2-NH2 2.97Å; L168-R209 HydrophobicContact CD1-CB 4.29Å; L168-R209 HydrophobicContact CD2-CB 4.08Å; L168-R209 VanDerWaalsContact CD2-NH2 3.31Å; I205-R209 HydrophobicContact CG2-CB 3.88Å; S206-R209 PolarHBondContact O-N 2.98Å; S206-R209 WeakPolarHBondContact OG-CG 3.46Å; S206-R209 PolarHBondContact OG-N 3.22Å; G207-R209 PolarHBondContact O-N 2.91Å; R209-W211 VanDerWaalsContact C-N 3.35Å; R209-E213 PolarHBondContact O-N 3.21Å |
| 210 | I | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 174.1 | -72.4 | 166.6 | 0 | 0 | 0 | 110.2 | L168 L171 I205 S206 G207 V212 E213 L214 I239 R284 L285 | L168-I210 HydrophobicContact CD1-CG1 4.3Å; L171-I210 HydrophobicContact CD1-CB 4.1Å; L171-I210 HydrophobicContact CD1-CG1 4Å; L171-I210 HydrophobicContact CD1-CG2 3.76Å; I205-I210 HydrophobicContact CB-CD1 4.15Å; I205-I210 HydrophobicContact CB-CG1 4.26Å; I205-I210 HydrophobicContact CG2-CD1 4.37Å; I205-I210 HydrophobicContact CG2-CG1 3.97Å; S206-I210 PolarHBondContact O-N 3.27Å; G207-I210 PolarHBondContact O-N 3.49Å; I210-V212 VanDerWaalsContact C-N 3.33Å; I210-V212 PolarHBondContact O-N 2.97Å; I210-E213 PolarHBondContact O-N 2.97Å; I210-L214 WeakPolarHBondContact O-CB 3.46Å; I210-L214 PolarHBondContact O-N 3.29Å; I210-I239 HydrophobicContact CD1-CG2 4.38Å; I210-I239 HydrophobicContact CG2-CB 3.93Å; I210-I239 HydrophobicContact CG2-CG2 3.83Å; I210-R284 VanDerWaalsContact CD1-CZ 3.48Å; I210-L285 HydrophobicContact CB-CD2 3.92Å; I210-L285 HydrophobicContact CG2-CD2 3.42Å; I210-L285 VanDerWaalsContact CG2-CD2 3.42Å |
| 211 | W | 97.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 4% | 0.038 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | -176.7 | -176.4 | -141.3 | 0 | 0 | 0 | 112.3 | G207 E208 R209 E213 L214 K215 P264 M265 L268 L285 L287 E291 | G207-W211 WeakPolarHBondContact O-CB 3.04Å; G207-W211 PolarHBondContact O-N 3.29Å; E208-W211 PolarHBondContact O-N 3.46Å; R209-W211 VanDerWaalsContact C-N 3.35Å; W211-E213 VanDerWaalsContact C-N 3.31Å; W211-E213 PolarHBondContact O-N 3.07Å; W211-L214 HydrophobicContact CE3-CB 4.07Å; W211-L214 HydrophobicContact CE3-CD2 4.13Å; W211-L214 HydrophobicContact CE3-CG 4.31Å; W211-L214 HydrophobicContact CZ3-CB 4.38Å; W211-L214 HydrophobicContact CZ3-CD2 4.15Å; W211-L214 HydrophobicContact CZ3-CG 4.21Å; W211-L214 PolarHBondContact O-N 2.87Å; W211-K215 HydrophobicContact CD2-CD 4.14Å; W211-K215 HydrophobicContact CD2-CG 3.68Å; W211-K215 VanDerWaalsContact CE2-CG 3.46Å; W211-K215 HydrophobicContact CE3-CG 3.77Å; W211-K215 HydrophobicContact CG-CG 4.45Å; W211-K215 HydrophobicContact CH2-CD 4.16Å; W211-K215 HydrophobicContact CH2-CG 3.49Å; W211-K215 VanDerWaalsContact CH2-CG 3.49Å; W211-K215 HydrophobicContact CZ2-CD 3.56Å; W211-K215 HydrophobicContact CZ2-CG 3.4Å; W211-K215 VanDerWaalsContact CZ2-CG 3.4Å; W211-K215 HydrophobicContact CZ3-CG 3.65Å; W211-K215 WeakPolarHBondContact O-CB 3.49Å; W211-K215 WeakPolarHBondContact O-CG 3.33Å; W211-K215 PolarHBondContact O-N 3.23Å; W211-P264 HydrophobicContact CH2-CB 4.37Å; W211-M265 HydrophobicContact CH2-SD 4.11Å; W211-M265 HydrophobicContact CZ2-SD 4.22Å; W211-L268 HydrophobicContact CE3-CD2 4.4Å; W211-L268 HydrophobicContact CH2-CD2 3.98Å; W211-L268 HydrophobicContact CZ3-CD2 3.5Å; W211-L285 HydrophobicContact CB-CB 4.23Å; W211-L285 HydrophobicContact CD2-CD1 4.41Å; W211-L285 HydrophobicContact CE3-CD1 3.91Å; W211-L287 HydrophobicContact CD2-CD2 3.84Å; W211-L287 HydrophobicContact CE3-CD2 4.43Å; W211-L287 HydrophobicContact CG-CD2 4.17Å; W211-L287 HydrophobicContact CZ2-CD2 3.9Å; W211-E291 HydrophobicContact CZ2-CG 4.38Å; W211-E291 WeakPolarHBondContact CZ2-OE1 3.07Å; W211-E291 PolarHBondContact NE1-OE1 3.07Å; W211-E291 PolarHBondContact NE1-OE2 2.65Å |
| 212 | V | 97 | Very high | 96.6 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 42% | 0.418 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 175.2 | 168.7 | 0 | 0 | 0 | 0 | 112 | E208 I210 K216 | E208-V212 VanDerWaalsContact O-CG2 3.32Å; E208-V212 WeakPolarHBondContact O-CG2 3.5Å; E208-V212 PolarHBondContact O-N 3.31Å; I210-V212 VanDerWaalsContact C-N 3.33Å; I210-V212 PolarHBondContact O-N 2.97Å; V212-K216 WeakPolarHBondContact O-CG 3.48Å |
| 213 | E | 97.5 | Very high | 96.6 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.1 | -44.9 | 177.9 | -67 | -59.9 | 159.3 | 0 | 0 | 111.7 | L168 L171 R172 R175 R209 I210 W211 K215 K216 I217 | L168-E213 HydrophobicContact CD1-CB 4.43Å; L168-E213 HydrophobicContact CD1-CG 3.82Å; L168-E213 HydrophobicContact CD2-CG 4.13Å; L168-E213 HydrophobicContact CG-CG 4.01Å; L171-E213 HydrophobicContact CB-CB 3.78Å; L171-E213 HydrophobicContact CB-CG 4.33Å; L171-E213 HydrophobicContact CD1-CB 4.16Å; R172-E213 HydrophobicContact CG-CG 4.24Å; R172-E213 IonicContact NH1-OE1 3.3Å; R175-E213 WeakPolarHBondContact CD-OE2 3.48Å; R175-E213 IonicContact CZ-OE1 3.03Å; R175-E213 IonicContact CZ-OE2 3.92Å; R175-E213 IonicContact NE-OE2 2.71Å; R175-E213 PolarHBondContact NE-OE2 3.37Å; R175-E213 IonicContact NH1-OE1 3.87Å; R175-E213 PolarHBondContact NH1-OE1 3.36Å; R175-E213 IonicContact NH1-OE2 3.07Å; R175-E213 PolarHBondContact NH1-OE2 2.7Å; R175-E213 IonicContact NH2-OE1 3.67Å; R209-E213 PolarHBondContact O-N 3.21Å; I210-E213 PolarHBondContact O-N 2.97Å; W211-E213 VanDerWaalsContact C-N 3.31Å; W211-E213 PolarHBondContact O-N 3.07Å; E213-K215 VanDerWaalsContact C-N 3.31Å; E213-K215 PolarHBondContact O-N 3.41Å; E213-K216 PolarHBondContact O-N 3.14Å; E213-I217 WeakPolarHBondContact O-CG1 3.38Å; E213-I217 PolarHBondContact O-N 3.14Å |
| 214 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -39.8 | -179.9 | -173.5 | 60.7 | 0 | 0 | 0 | 111.9 | I210 W211 K216 I217 V218 L227 M230 I239 L268 L285 | I210-L214 WeakPolarHBondContact O-CB 3.46Å; I210-L214 PolarHBondContact O-N 3.29Å; W211-L214 HydrophobicContact CE3-CB 4.07Å; W211-L214 HydrophobicContact CE3-CD2 4.13Å; W211-L214 HydrophobicContact CE3-CG 4.31Å; W211-L214 HydrophobicContact CZ3-CB 4.38Å; W211-L214 HydrophobicContact CZ3-CD2 4.15Å; W211-L214 HydrophobicContact CZ3-CG 4.21Å; W211-L214 PolarHBondContact O-N 2.87Å; L214-K216 PolarHBondContact O-N 3.46Å; L214-I217 PolarHBondContact O-N 2.97Å; L214-I217 VanDerWaalsContact O-N 3.12Å; L214-V218 HydrophobicContact CD1-CG1 3.95Å; L214-V218 HydrophobicContact CG-CG1 4.24Å; L214-V218 WeakPolarHBondContact O-CG1 3.44Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 3.48Å; L214-L227 HydrophobicContact CD1-CD1 4.37Å; L214-M230 HydrophobicContact CD1-CE 4.15Å; L214-I239 HydrophobicContact CD1-CD1 4.49Å; L214-L268 HydrophobicContact CD2-CD1 4.17Å; L214-L268 HydrophobicContact CD2-CD2 3.79Å; L214-L285 HydrophobicContact CD2-CD1 4.05Å |
| 215 | K | 97.4 | Very high | 96.7 | Very high | 61 Ų | 61 | 41 Ų | 41 | 27% | 0.265 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.3 | -40.2 | 174.2 | -80.9 | -162.9 | -83.9 | -160.2 | 0 | 112.9 | W211 E213 V219 P264 E291 | W211-K215 HydrophobicContact CD2-CD 4.14Å; W211-K215 HydrophobicContact CD2-CG 3.68Å; W211-K215 VanDerWaalsContact CE2-CG 3.46Å; W211-K215 HydrophobicContact CE3-CG 3.77Å; W211-K215 HydrophobicContact CG-CG 4.45Å; W211-K215 HydrophobicContact CH2-CD 4.16Å; W211-K215 HydrophobicContact CH2-CG 3.49Å; W211-K215 VanDerWaalsContact CH2-CG 3.49Å; W211-K215 HydrophobicContact CZ2-CD 3.56Å; W211-K215 HydrophobicContact CZ2-CG 3.4Å; W211-K215 VanDerWaalsContact CZ2-CG 3.4Å; W211-K215 HydrophobicContact CZ3-CG 3.65Å; W211-K215 WeakPolarHBondContact O-CB 3.49Å; W211-K215 WeakPolarHBondContact O-CG 3.33Å; W211-K215 PolarHBondContact O-N 3.23Å; E213-K215 VanDerWaalsContact C-N 3.31Å; E213-K215 PolarHBondContact O-N 3.41Å; K215-V219 VanDerWaalsContact O-CG2 3.31Å; K215-V219 WeakPolarHBondContact O-CG2 3.24Å; K215-P264 HydrophobicContact CB-CB 3.94Å; K215-P264 HydrophobicContact CB-CG 4.06Å; K215-P264 HydrophobicContact CD-CB 4.16Å; K215-P264 HydrophobicContact CD-CG 4.12Å; K215-P264 HydrophobicContact CG-CB 3.69Å; K215-P264 HydrophobicContact CG-CG 4.05Å; K215-E291 IonicContact NZ-OE1 2.72Å; K215-E291 PolarHBondContact NZ-OE1 3.32Å |
| 216 | K | 96.8 | Very high | 96.8 | Very high | 108 Ų | 108 | 40.3 Ų | 40.3 | 47% | 0.47 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -75.2 | -32.7 | -180 | -64.7 | 176.4 | -175.9 | -176.3 | 0 | 111.9 | R175 V212 E213 L214 G220 | R175-K216 HydrophobicContact CG-CB 4.04Å; V212-K216 WeakPolarHBondContact O-CG 3.48Å; E213-K216 PolarHBondContact O-N 3.14Å; L214-K216 PolarHBondContact O-N 3.46Å; K216-G220 PolarHBondContact O-N 2.9Å |
| 217 | I | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.2 | -51.9 | 177.1 | -65.3 | 164.7 | 0 | 0 | 0 | 110.2 | L171 F174 R175 E213 L214 V219 G220 A223 L226 M230 | L171-I217 HydrophobicContact CB-CD1 4.19Å; L171-I217 WeakPolarHBondContact O-CD1 3.09Å; F174-I217 HydrophobicContact CB-CD1 4.12Å; R175-I217 HydrophobicContact CB-CG1 3.86Å; E213-I217 WeakPolarHBondContact O-CG1 3.38Å; E213-I217 PolarHBondContact O-N 3.14Å; L214-I217 PolarHBondContact O-N 2.97Å; L214-I217 VanDerWaalsContact O-N 3.12Å; I217-V219 VanDerWaalsContact C-N 3.3Å; I217-V219 PolarHBondContact O-N 3.03Å; I217-G220 PolarHBondContact O-N 3.31Å; I217-A223 WeakPolarHBondContact O-CB 3.23Å; I217-L226 HydrophobicContact CG2-CB 4.49Å; I217-M230 HydrophobicContact CD1-CE 4.42Å; I217-M230 HydrophobicContact CD1-SD 4.14Å; I217-M230 HydrophobicContact CG2-SD 4.1Å |
| 218 | V | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -28.9 | -169.6 | -62 | 0 | 0 | 0 | 0 | 113.7 | L214 A223 F250 P264 L267 L268 | L214-V218 HydrophobicContact CD1-CG1 3.95Å; L214-V218 HydrophobicContact CG-CG1 4.24Å; L214-V218 WeakPolarHBondContact O-CG1 3.44Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 3.48Å; V218-A223 VanDerWaalsContact O-CB 3.23Å; V218-A223 WeakPolarHBondContact O-CB 3.35Å; V218-F250 HydrophobicContact CB-CE2 4.18Å; V218-F250 HydrophobicContact CB-CZ 4.2Å; V218-F250 HydrophobicContact CG1-CE2 4.23Å; V218-F250 HydrophobicContact CG1-CZ 4.3Å; V218-P264 HydrophobicContact CG2-CB 3.8Å; V218-L267 HydrophobicContact CB-CB 4.47Å; V218-L267 WeakPolarHBondContact O-CD1 3.33Å; V218-L268 HydrophobicContact CG1-CD1 4.17Å |
| 219 | V | 96.3 | Very high | 97 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -5.5 | 173.9 | -55.6 | 0 | 0 | 0 | 0 | 113.2 | K215 I217 P264 L267 | K215-V219 VanDerWaalsContact O-CG2 3.31Å; K215-V219 WeakPolarHBondContact O-CG2 3.24Å; I217-V219 VanDerWaalsContact C-N 3.3Å; I217-V219 PolarHBondContact O-N 3.03Å; V219-P264 HydrophobicContact CG1-CB 3.96Å; V219-P264 HydrophobicContact CG1-CG 3.72Å; V219-L267 HydrophobicContact CB-CD1 4.46Å; V219-L267 HydrophobicContact CG1-CD1 3.95Å |
| 220 | G | 95.6 | Very high | 97.1 | Very high | 23 Ų | 23 | 32.5 Ų | 32.5 | 24% | 0.237 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -74.4 | 174.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | K216 I217 Y254 | K216-G220 PolarHBondContact O-N 2.9Å; I217-G220 PolarHBondContact O-N 3.31Å; G220-Y254 WeakPolarHBondContact O-CE2 3.39Å; G220-Y254 PolarHBondContact O-OH 3.24Å |
| 221 | R | 95.2 | Very high | 97 | Very high | 115 Ų | 115 | 34.2 Ų | 34.2 | 43% | 0.434 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 145.4 | 168.2 | -74.5 | 173.1 | 56.2 | -154.9 | -10.7 | 109.8 | G178 A181 A223 Y254 | G178-R221 WeakPolarHBondContact CA-O 3.19Å; G178-R221 VanDerWaalsContact O-CB 3.26Å; G178-R221 WeakPolarHBondContact O-CB 3.42Å; A181-R221 PolarHBondContact O-NH2 3.35Å; R221-A223 PolarHBondContact O-N 2.89Å; R221-Y254 WeakPolarHBondContact CA-OH 3.39Å |
| 222 | H | 96.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 17% | 0.167 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 18.3 | 179.5 | -49.8 | -69.3 | 0 | 0 | 0 | 114.3 | P184 D224 S225 L226 Y254 | P184-H222 HydrophobicContact CB-CB 4.15Å; H222-D224 WeakPolarHBondContact CA-OD1 3.46Å; H222-D224 PolarHBondContact O-N 3.42Å; H222-S225 PolarHBondContact O-N 3.38Å; H222-L226 HydrophobicContact CB-CD1 4.25Å; H222-L226 HydrophobicContact CB-CG 4.2Å; H222-L226 WeakPolarHBondContact O-CB 3.07Å; H222-L226 VanDerWaalsContact O-CG 3.24Å; H222-L226 WeakPolarHBondContact O-CG 3.45Å; H222-L226 PolarHBondContact O-N 3.34Å; H222-Y254 PolarHBondContact N-OH 3.35Å |
| 223 | A | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.6 | -36.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I217 V218 R221 S225 L226 L227 F250 Y254 | I217-A223 WeakPolarHBondContact O-CB 3.23Å; V218-A223 VanDerWaalsContact O-CB 3.23Å; V218-A223 WeakPolarHBondContact O-CB 3.35Å; R221-A223 PolarHBondContact O-N 2.89Å; A223-S225 VanDerWaalsContact C-N 3.35Å; A223-S225 PolarHBondContact O-N 2.88Å; A223-L226 PolarHBondContact O-N 3.1Å; A223-L227 VanDerWaalsContact O-CB 3.3Å; A223-L227 WeakPolarHBondContact O-CB 3.44Å; A223-L227 PolarHBondContact O-N 3.08Å; A223-F250 HydrophobicContact CB-CE1 4.4Å; A223-F250 HydrophobicContact CB-CZ 4.17Å; A223-F250 WeakPolarHBondContact O-CE1 3.32Å; A223-Y254 HydrophobicContact CB-CD2 3.83Å; A223-Y254 HydrophobicContact CB-CE2 3.47Å; A223-Y254 VanDerWaalsContact CB-CE2 3.47Å |
| 224 | D | 96.4 | Very high | 96.8 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.8 | -47 | 173.4 | 58.4 | -27.7 | 0 | 0 | 0 | 112.9 | H222 C251 Y254 | H222-D224 WeakPolarHBondContact CA-OD1 3.46Å; H222-D224 PolarHBondContact O-N 3.42Å; D224-C251 HydrophobicContact CB-CB 4.32Å; D224-Y254 HydrophobicContact CB-CD1 3.64Å; D224-Y254 HydrophobicContact CB-CE1 4.16Å; D224-Y254 HydrophobicContact CB-CG 4.23Å |
| 225 | S | 97.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -77.6 | -40.7 | 179.4 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | P184 H222 A223 R228 L229 | P184-S225 WeakPolarHBondContact CB-OG 3.5Å; H222-S225 PolarHBondContact O-N 3.38Å; A223-S225 VanDerWaalsContact C-N 3.35Å; A223-S225 PolarHBondContact O-N 2.88Å; S225-R228 PolarHBondContact O-N 2.93Å; S225-L229 WeakPolarHBondContact O-CB 3.34Å; S225-L229 PolarHBondContact O-N 3.36Å |
| 226 | L | 97.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | -177.1 | -69.3 | 176.5 | 0 | 0 | 0 | 112.6 | F174 Y177 I217 H222 A223 R228 L229 M230 | F174-L226 HydrophobicContact CD1-CD2 4.13Å; F174-L226 WeakPolarHBondContact O-CD1 3.31Å; Y177-L226 HydrophobicContact CD1-CD2 3.71Å; Y177-L226 HydrophobicContact CE1-CD2 4.45Å; Y177-L226 HydrophobicContact CG-CD2 4.22Å; I217-L226 HydrophobicContact CG2-CB 4.49Å; H222-L226 HydrophobicContact CB-CD1 4.25Å; H222-L226 HydrophobicContact CB-CG 4.2Å; H222-L226 WeakPolarHBondContact O-CB 3.07Å; H222-L226 VanDerWaalsContact O-CG 3.24Å; H222-L226 WeakPolarHBondContact O-CG 3.45Å; H222-L226 PolarHBondContact O-N 3.34Å; A223-L226 PolarHBondContact O-N 3.1Å; L226-R228 VanDerWaalsContact C-N 3.3Å; L226-R228 PolarHBondContact O-N 3.2Å; L226-L229 PolarHBondContact O-N 3.47Å; L226-M230 VanDerWaalsContact O-CG 3.23Å; L226-M230 WeakPolarHBondContact O-CG 3.33Å; L226-M230 PolarHBondContact O-N 3.17Å |
| 227 | L | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -37.2 | 178.6 | -171.7 | 61.3 | 0 | 0 | 0 | 110.9 | L214 A223 M230 L231 L241 I247 F250 V271 | L214-L227 HydrophobicContact CD1-CD1 4.37Å; A223-L227 VanDerWaalsContact O-CB 3.3Å; A223-L227 WeakPolarHBondContact O-CB 3.44Å; A223-L227 PolarHBondContact O-N 3.08Å; L227-M230 HydrophobicContact CD1-CE 4.28Å; L227-M230 HydrophobicContact CD1-SD 4.29Å; L227-M230 WeakPolarHBondContact O-CB 3.37Å; L227-M230 PolarHBondContact O-N 3.2Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 2.86Å; L227-L231 VanDerWaalsContact O-N 3.1Å; L227-L241 HydrophobicContact CD1-CD1 4.05Å; L227-I247 HydrophobicContact CB-CD1 4.13Å; L227-I247 HydrophobicContact CD2-CD1 4.27Å; L227-I247 HydrophobicContact CG-CD1 4.06Å; L227-F250 HydrophobicContact CB-CD1 4.26Å; L227-F250 HydrophobicContact CB-CE1 3.83Å; L227-F250 HydrophobicContact CB-CZ 4.3Å; L227-F250 HydrophobicContact CD2-CD1 3.69Å; L227-F250 HydrophobicContact CD2-CD2 3.71Å; L227-F250 HydrophobicContact CD2-CE1 3.63Å; L227-F250 HydrophobicContact CD2-CE2 3.66Å; L227-F250 HydrophobicContact CD2-CG 3.73Å; L227-F250 HydrophobicContact CD2-CZ 3.64Å; L227-F250 HydrophobicContact CG-CE1 4.38Å; L227-V271 HydrophobicContact CD2-CG1 3.7Å |
| 228 | R | 96.9 | Very high | 96.5 | Very high | 72 Ų | 72 | 36.9 Ų | 36.9 | 27% | 0.272 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60 | -51.7 | 172.5 | -179 | 175.7 | -60.1 | -92.9 | 1.4 | 111.1 | S225 L226 M230 L231 D232 I247 E248 C251 | S225-R228 PolarHBondContact O-N 2.93Å; L226-R228 VanDerWaalsContact C-N 3.3Å; L226-R228 PolarHBondContact O-N 3.2Å; R228-M230 PolarHBondContact O-N 3.04Å; R228-L231 WeakPolarHBondContact O-CA 3.26Å; R228-L231 WeakPolarHBondContact O-CB 3.31Å; R228-L231 PolarHBondContact O-N 3.05Å; R228-D232 PolarHBondContact O-N 3.35Å; R228-I247 HydrophobicContact CB-CD1 4.01Å; R228-I247 HydrophobicContact CB-CG1 3.75Å; R228-I247 HydrophobicContact CG-CG1 4.15Å; R228-E248 IonicContact CZ-OE1 3.69Å; R228-E248 IonicContact NH1-OE1 3.24Å; R228-E248 PolarHBondContact NH1-OE1 3.49Å; R228-E248 IonicContact NH2-OE1 3.42Å; R228-E248 PolarHBondContact NH2-OE1 3.34Å; R228-E248 IonicContact NH2-OE2 2.74Å; R228-E248 PolarHBondContact NH2-OE2 3.14Å; R228-E248 VanDerWaalsContact NH2-OE2 3.13Å; R228-C251 PolarHBondContact NH2-SG 3.22Å |
| 229 | L | 97.1 | Very high | 96.5 | Very high | 29 Ų | 29 | 36.9 Ų | 36.9 | 15% | 0.152 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -35.8 | 178.7 | -177 | 60 | 0 | 0 | 0 | 112.3 | F174 H187 L192 S225 L226 D232 C233 | F174-L229 HydrophobicContact CE1-CD2 3.97Å; F174-L229 HydrophobicContact CE1-CG 4.05Å; H187-L229 WeakPolarHBondContact CD2-CD2 3.27Å; H187-L229 VanDerWaalsContact CE1-CD2 3.48Å; H187-L229 WeakPolarHBondContact CE1-CD2 3.44Å; H187-L229 WeakPolarHBondContact NE2-CD2 3.46Å; L192-L229 HydrophobicContact CD1-CD1 4.27Å; L192-L229 HydrophobicContact CD2-CD2 4.02Å; L192-L229 HydrophobicContact CD2-CG 4.46Å; S225-L229 WeakPolarHBondContact O-CB 3.34Å; S225-L229 PolarHBondContact O-N 3.36Å; L226-L229 PolarHBondContact O-N 3.47Å; L229-D232 PolarHBondContact O-N 3.49Å; L229-C233 WeakPolarHBondContact O-CB 3.15Å; L229-C233 PolarHBondContact O-N 3.26Å; L229-C233 PolarHBondContact O-SG 3.44Å; L229-C233 VanDerWaalsContact O-SG 3.35Å |
| 230 | M | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 173.6 | -74 | 168.9 | 58.5 | 0 | 0 | 112 | L171 F174 L214 I217 L226 L227 R228 C233 G234 I235 I239 | L171-M230 HydrophobicContact CD2-CE 3.58Å; F174-M230 HydrophobicContact CB-CG 4.42Å; F174-M230 HydrophobicContact CB-SD 4.12Å; F174-M230 HydrophobicContact CD1-CG 3.89Å; F174-M230 HydrophobicContact CD2-CG 3.46Å; F174-M230 VanDerWaalsContact CD2-CG 3.46Å; F174-M230 HydrophobicContact CD2-SD 3.97Å; F174-M230 HydrophobicContact CE1-CG 3.94Å; F174-M230 HydrophobicContact CE2-CG 3.55Å; F174-M230 HydrophobicContact CG-CG 3.65Å; F174-M230 HydrophobicContact CG-SD 3.99Å; F174-M230 HydrophobicContact CZ-CG 3.78Å; L214-M230 HydrophobicContact CD1-CE 4.15Å; I217-M230 HydrophobicContact CD1-CE 4.42Å; I217-M230 HydrophobicContact CD1-SD 4.14Å; I217-M230 HydrophobicContact CG2-SD 4.1Å; L226-M230 VanDerWaalsContact O-CG 3.23Å; L226-M230 WeakPolarHBondContact O-CG 3.33Å; L226-M230 PolarHBondContact O-N 3.17Å; L227-M230 HydrophobicContact CD1-CE 4.28Å; L227-M230 HydrophobicContact CD1-SD 4.29Å; L227-M230 WeakPolarHBondContact O-CB 3.37Å; L227-M230 PolarHBondContact O-N 3.2Å; R228-M230 PolarHBondContact O-N 3.04Å; M230-C233 PolarHBondContact O-N 2.92Å; M230-G234 PolarHBondContact O-N 3.37Å; M230-I235 HydrophobicContact CB-CD1 4.17Å; M230-I235 HydrophobicContact CG-CD1 4.21Å; M230-I235 VanDerWaalsContact O-CB 3.26Å; M230-I235 WeakPolarHBondContact O-CB 3.46Å; M230-I235 PolarHBondContact O-N 2.83Å; M230-I235 VanDerWaalsContact O-N 3.08Å; M230-I239 HydrophobicContact CE-CD1 3.64Å |
| 231 | L | 96.3 | Very high | 96.3 | Very high | 37 Ų | 37 | 33.4 Ų | 33.4 | 19% | 0.194 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 176 | -63.7 | 176.8 | 0 | 0 | 0 | 111.3 | L227 R228 C233 G234 L241 A245 I247 | L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 2.86Å; L227-L231 VanDerWaalsContact O-N 3.1Å; R228-L231 WeakPolarHBondContact O-CA 3.26Å; R228-L231 WeakPolarHBondContact O-CB 3.31Å; R228-L231 PolarHBondContact O-N 3.05Å; L231-C233 VanDerWaalsContact C-N 3.25Å; L231-C233 PolarHBondContact O-N 3.2Å; L231-G234 WeakPolarHBondContact O-CA 3.26Å; L231-G234 PolarHBondContact O-N 3.21Å; L231-L241 HydrophobicContact CD2-CB 4.22Å; L231-L241 HydrophobicContact CD2-CD1 4.21Å; L231-A245 HydrophobicContact CD1-CB 3.91Å; L231-A245 HydrophobicContact CD2-CB 4.4Å; L231-I247 HydrophobicContact CD1-CB 4.05Å; L231-I247 HydrophobicContact CD1-CD1 4.13Å; L231-I247 HydrophobicContact CD1-CG1 4.29Å |
| 232 | D | 95.2 | Very high | 96 | Very high | 116 Ų | 116 | 28.9 Ų | 28.9 | 62% | 0.62 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -63.3 | -32 | 176.9 | -64.6 | -22.1 | 0 | 0 | 0 | 112.1 | R228 L229 G234 | R228-D232 PolarHBondContact O-N 3.35Å; L229-D232 PolarHBondContact O-N 3.49Å; D232-G234 PolarHBondContact O-N 3.48Å |
| 233 | C | 96.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 1 | 172 | -76.3 | 0 | 0 | 0 | 0 | 113.9 | I195 R196 L229 M230 L231 I235 | I195-C233 HydrophobicContact CG2-CB 4.21Å; R196-C233 HydrophobicContact CG-CB 3.98Å; L229-C233 WeakPolarHBondContact O-CB 3.15Å; L229-C233 PolarHBondContact O-N 3.26Å; L229-C233 PolarHBondContact O-SG 3.44Å; L229-C233 VanDerWaalsContact O-SG 3.35Å; M230-C233 PolarHBondContact O-N 2.92Å; L231-C233 VanDerWaalsContact C-N 3.25Å; L231-C233 PolarHBondContact O-N 3.2Å; C233-I235 HydrophobicContact CB-CD1 4.12Å; C233-I235 HydrophobicContact CB-CG1 4.19Å |
| 234 | G | 95.9 | Very high | 95 | Very high | 35 Ų | 35 | 37 Ų | 37 | 36% | 0.361 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 19.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M230 L231 D232 Y238 | M230-G234 PolarHBondContact O-N 3.37Å; L231-G234 WeakPolarHBondContact O-CA 3.26Å; L231-G234 PolarHBondContact O-N 3.21Å; D232-G234 PolarHBondContact O-N 3.48Å; G234-Y238 WeakPolarHBondContact O-CD2 3.31Å; G234-Y238 WeakPolarHBondContact O-CE2 3.21Å |
| 235 | I | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -77.1 | -30.5 | -176.2 | -62.9 | 169.4 | 0 | 0 | 0 | 112.1 | I170 L171 F174 I195 A199 L202 M230 C233 Y238 I239 | I170-I235 HydrophobicContact CG2-CD1 3.59Å; I170-I235 HydrophobicContact CG2-CG1 4.42Å; L171-I235 HydrophobicContact CD2-CG2 4.43Å; F174-I235 HydrophobicContact CD2-CD1 4.4Å; F174-I235 HydrophobicContact CE2-CD1 3.41Å; F174-I235 VanDerWaalsContact CE2-CD1 3.41Å; F174-I235 HydrophobicContact CZ-CD1 3.92Å; I195-I235 HydrophobicContact CG2-CD1 3.83Å; I195-I235 HydrophobicContact CG2-CG1 4.46Å; A199-I235 HydrophobicContact CB-CG1 4.01Å; L202-I235 HydrophobicContact CD1-CG1 4.49Å; L202-I235 HydrophobicContact CD1-CG2 3.51Å; M230-I235 HydrophobicContact CB-CD1 4.17Å; M230-I235 HydrophobicContact CG-CD1 4.21Å; M230-I235 VanDerWaalsContact O-CB 3.26Å; M230-I235 WeakPolarHBondContact O-CB 3.46Å; M230-I235 PolarHBondContact O-N 2.83Å; M230-I235 VanDerWaalsContact O-N 3.08Å; C233-I235 HydrophobicContact CB-CD1 4.12Å; C233-I235 HydrophobicContact CB-CG1 4.19Å; I235-Y238 PolarHBondContact O-N 2.91Å; I235-I239 HydrophobicContact CG2-CD1 3.99Å; I235-I239 HydrophobicContact CG2-CG1 4.09Å; I235-I239 HydrophobicContact CG2-CG2 3.7Å; I235-I239 PolarHBondContact O-N 3.02Å | ||
| 236 | G | 96.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -41.4 | -57.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y238 I239 G240 L241 | G236-Y238 PolarHBondContact O-N 3.27Å; G236-I239 VanDerWaalsContact O-CG1 3.31Å; G236-I239 WeakPolarHBondContact O-CG1 3.47Å; G236-I239 PolarHBondContact O-N 3.41Å; G236-G240 PolarHBondContact O-N 3.11Å; G236-L241 CarbonylContact C-O 2.89Å; G236-L241 PolarHBondContact O-N 2.86Å |
| 237 | P | 95.2 | Very high | 94.8 | Very high | 88 Ų | 88 | 37.5 Ų | 37.5 | 57% | 0.571 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -57.2 | -27.8 | -177.3 | -27.8 | 36 | 0 | 0 | 0 | 114.5 | L241 | P237-L241 WeakPolarHBondContact CA-O 3.43Å; P237-L241 VanDerWaalsContact N-O 3.17Å |
| 238 | Y | 96.6 | Very high | 94.8 | Very high | 69 Ų | 69 | 41.8 Ų | 41.8 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -87.2 | -15.1 | -176.5 | -50.2 | -57.5 | 0 | 0 | 0 | 113.5 | A199 K200 S203 G234 I235 G236 R284 | A199-Y238 HydrophobicContact CB-CD2 4.16Å; A199-Y238 HydrophobicContact CB-CE2 4.1Å; A199-Y238 VanDerWaalsContact O-CD2 3.26Å; A199-Y238 WeakPolarHBondContact O-CD2 3.3Å; K200-Y238 HydrophobicContact CB-CE1 4.14Å; K200-Y238 HydrophobicContact CB-CE2 4.18Å; K200-Y238 HydrophobicContact CG-CE1 3.95Å; S203-Y238 WeakPolarHBondContact OG-CD1 3.4Å; G234-Y238 WeakPolarHBondContact O-CD2 3.31Å; G234-Y238 WeakPolarHBondContact O-CE2 3.21Å; I235-Y238 PolarHBondContact O-N 2.91Å; G236-Y238 PolarHBondContact O-N 3.27Å; Y238-R284 PolarHBondContact O-NE 3.27Å; Y238-R284 PolarHBondContact O-NH2 3.22Å |
| 239 | I | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 9.4 | 177.8 | 64.6 | 166.8 | 0 | 0 | 0 | 113 | L171 L202 I210 L214 M230 I235 G236 L241 | L171-I239 HydrophobicContact CD1-CG2 4.38Å; L171-I239 HydrophobicContact CD2-CG2 4.38Å; L202-I239 HydrophobicContact CD1-CG2 4.13Å; I210-I239 HydrophobicContact CD1-CG2 4.38Å; I210-I239 HydrophobicContact CG2-CB 3.93Å; I210-I239 HydrophobicContact CG2-CG2 3.83Å; L214-I239 HydrophobicContact CD1-CD1 4.49Å; M230-I239 HydrophobicContact CE-CD1 3.64Å; I235-I239 HydrophobicContact CG2-CD1 3.99Å; I235-I239 HydrophobicContact CG2-CG1 4.09Å; I235-I239 HydrophobicContact CG2-CG2 3.7Å; I235-I239 PolarHBondContact O-N 3.02Å; G236-I239 VanDerWaalsContact O-CG1 3.31Å; G236-I239 WeakPolarHBondContact O-CG1 3.47Å; G236-I239 PolarHBondContact O-N 3.41Å; I239-L241 HydrophobicContact CD1-CD1 3.88Å; I239-L241 HydrophobicContact CD1-CG 4.23Å; I239-L241 HydrophobicContact CG1-CD1 4.34Å; I239-L241 HydrophobicContact CG1-CG 4.15Å |
| 240 | G | 94.5 | Very high | 94.8 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 13.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G236 L281 | G236-G240 PolarHBondContact O-N 3.11Å; G240-L281 WeakPolarHBondContact O-CD1 3.48Å |
| 241 | L | 94.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | trans | -101.3 | 130.2 | 174.7 | -56 | -176.6 | 0 | 0 | 0 | 110.3 | L227 L231 G236 P237 I239 L268 V271 L272 L281 | L227-L241 HydrophobicContact CD1-CD1 4.05Å; L231-L241 HydrophobicContact CD2-CB 4.22Å; L231-L241 HydrophobicContact CD2-CD1 4.21Å; G236-L241 CarbonylContact C-O 2.89Å; G236-L241 PolarHBondContact O-N 2.86Å; P237-L241 WeakPolarHBondContact CA-O 3.43Å; P237-L241 VanDerWaalsContact N-O 3.17Å; I239-L241 HydrophobicContact CD1-CD1 3.88Å; I239-L241 HydrophobicContact CD1-CG 4.23Å; I239-L241 HydrophobicContact CG1-CD1 4.34Å; I239-L241 HydrophobicContact CG1-CG 4.15Å; L241-L268 HydrophobicContact CD1-CD1 4.37Å; L241-L268 HydrophobicContact CD2-CD1 4.15Å; L241-V271 HydrophobicContact CD1-CG2 4.42Å; L241-V271 HydrophobicContact CD2-CG2 3.82Å; L241-L272 HydrophobicContact CD2-CD2 4.35Å; L241-L281 HydrophobicContact CD2-CD1 3.91Å | ||
| 242 | G | 87.5 | Confident | 94.8 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | trans | -70.2 | 164.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D244 A245 | G242-D244 WeakPolarHBondContact CA-OD1 3.48Å; G242-D244 PolarHBondContact O-N 2.79Å; G242-A245 VanDerWaalsContact O-CB 3.28Å; G242-A245 WeakPolarHBondContact O-CB 3.39Å; G242-A245 PolarHBondContact O-N 3.12Å | ||
| 243 | S | 84.2 | Confident | 94.9 | Very high | 128 Ų | 128 | 37.2 Ų | 37.2 | 90% | 0.895 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.8 | 170.6 | 51.4 | 0 | 0 | 0 | 0 | 113 | A245 | S243-A245 VanDerWaalsContact C-N 3.32Š|
| 244 | D | 89.3 | Confident | 95 | Very high | 80 Ų | 80 | 38.1 Ų | 38.1 | 43% | 0.428 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 11.1 | 176.2 | 56.2 | -29.3 | 0 | 0 | 0 | 113.2 | G242 N246 N273 | G242-D244 WeakPolarHBondContact CA-OD1 3.48Å; G242-D244 PolarHBondContact O-N 2.79Å; D244-N246 PolarHBondContact O-N 3.37Å; D244-N273 PolarHBondContact O-ND2 3.43Å |
| 245 | A | 94 | Very high | 94.9 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | trans | -52.7 | 126.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L231 G242 S243 I247 V271 | L231-A245 HydrophobicContact CD1-CB 3.91Å; L231-A245 HydrophobicContact CD2-CB 4.4Å; G242-A245 VanDerWaalsContact O-CB 3.28Å; G242-A245 WeakPolarHBondContact O-CB 3.39Å; G242-A245 PolarHBondContact O-N 3.12Å; S243-A245 VanDerWaalsContact C-N 3.32Å; A245-I247 VanDerWaalsContact C-N 3.26Å; A245-I247 PolarHBondContact O-N 2.92Å; A245-V271 CarbonylContact C-O 3.59Å; A245-V271 WeakPolarHBondContact CA-O 3.43Å; A245-V271 HydrophobicContact CB-CB 4.26Å | ||
| 246 | N | 96.1 | Very high | 94.9 | Very high | 46 Ų | 46 | 45.2 Ų | 45.2 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | trans | -80.4 | 72.2 | -176.9 | -167.7 | -16.9 | 0 | 0 | 0 | 111.6 | D244 E248 E249 F250 V271 N273 | D244-N246 PolarHBondContact O-N 3.37Å; N246-E248 PolarHBondContact O-N 2.71Å; N246-E249 HydrophobicContact CB-CB 4.33Å; N246-E249 VanDerWaalsContact CG-CB 3.5Å; N246-E249 PolarHBondContact O-N 3Å; N246-E249 WeakPolarHBondContact OD1-CB 3.32Å; N246-E249 PolarHBondContact OD1-N 2.86Å; N246-F250 PolarHBondContact O-N 3.27Å; N246-F250 VanDerWaalsContact O-N 3.16Å; N246-V271 PolarHBondContact N-O 3.19Å; N246-N273 WeakPolarHBondContact CB-OD1 3.39Å | ||
| 247 | I | 96.7 | Very high | 94.8 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -31.4 | -177.7 | -170.4 | 59 | 0 | 0 | 0 | 112.5 | L227 R228 L231 A245 F250 C251 | L227-I247 HydrophobicContact CB-CD1 4.13Å; L227-I247 HydrophobicContact CD2-CD1 4.27Å; L227-I247 HydrophobicContact CG-CD1 4.06Å; R228-I247 HydrophobicContact CB-CD1 4.01Å; R228-I247 HydrophobicContact CB-CG1 3.75Å; R228-I247 HydrophobicContact CG-CG1 4.15Å; L231-I247 HydrophobicContact CD1-CB 4.05Å; L231-I247 HydrophobicContact CD1-CD1 4.13Å; L231-I247 HydrophobicContact CD1-CG1 4.29Å; A245-I247 VanDerWaalsContact C-N 3.26Å; A245-I247 PolarHBondContact O-N 2.92Å; I247-F250 HydrophobicContact CD1-CB 4.39Å; I247-F250 HydrophobicContact CD1-CD1 4.07Å; I247-F250 WeakPolarHBondContact O-CB 3.47Å; I247-F250 PolarHBondContact O-N 3.06Å; I247-C251 PolarHBondContact O-N 3.18Å; I247-C251 PolarHBondContact O-SG 2.79Å |
| 248 | E | 96.8 | Very high | 94.6 | Very high | 91 Ų | 91 | 48 Ų | 48 | 43% | 0.425 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.4 | -40.9 | 177.8 | -59.4 | -52.9 | 144.5 | 0 | 0 | 112.2 | R228 N246 C251 R252 | R228-E248 IonicContact CZ-OE1 3.69Å; R228-E248 IonicContact NH1-OE1 3.24Å; R228-E248 PolarHBondContact NH1-OE1 3.49Å; R228-E248 IonicContact NH2-OE1 3.42Å; R228-E248 PolarHBondContact NH2-OE1 3.34Å; R228-E248 IonicContact NH2-OE2 2.74Å; R228-E248 PolarHBondContact NH2-OE2 3.14Å; R228-E248 VanDerWaalsContact NH2-OE2 3.13Å; N246-E248 PolarHBondContact O-N 2.71Å; E248-C251 PolarHBondContact O-N 2.9Å; E248-R252 WeakPolarHBondContact O-CG 3.34Å; E248-R252 PolarHBondContact O-N 2.85Å; E248-R252 VanDerWaalsContact O-N 3.12Å; E248-R252 PolarHBondContact O-NH1 2.83Å |
| 249 | E | 97.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -38.6 | 174 | -176.6 | 59.2 | -163.9 | 0 | 0 | 111.4 | N246 C251 R252 V253 R256 A270 Y344 | N246-E249 HydrophobicContact CB-CB 4.33Å; N246-E249 VanDerWaalsContact CG-CB 3.5Å; N246-E249 PolarHBondContact O-N 3Å; N246-E249 WeakPolarHBondContact OD1-CB 3.32Å; N246-E249 PolarHBondContact OD1-N 2.86Å; E249-C251 PolarHBondContact O-N 3.09Å; E249-R252 PolarHBondContact O-N 2.94Å; E249-R252 IonicContact OE2-CZ 3.75Å; E249-R252 IonicContact OE2-NE 2.54Å; E249-R252 PolarHBondContact OE2-NE 3.3Å; E249-R252 IonicContact OE2-NH2 2.83Å; E249-R252 PolarHBondContact OE2-NH2 3.17Å; E249-V253 HydrophobicContact CG-CG2 4.09Å; E249-V253 WeakPolarHBondContact O-CB 3.5Å; E249-V253 WeakPolarHBondContact O-CG2 3.23Å; E249-V253 PolarHBondContact O-N 3.24Å; E249-V253 WeakPolarHBondContact OE1-CG2 3.37Å; E249-R256 IonicContact OE1-CZ 2.67Å; E249-R256 IonicContact OE1-NH1 3.61Å; E249-R256 IonicContact OE1-NH2 3.97Å; E249-R256 PolarHBondContact OE1-NH2 3.06Å; E249-A270 HydrophobicContact CG-CB 4.23Å; E249-Y344 VanDerWaalsContact CG-OH 3.22Å; E249-Y344 WeakPolarHBondContact CG-OH 3.18Å; E249-Y344 PolarHBondContact OE1-OH 3.24Å |
| 250 | F | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 173.5 | 177.6 | -92.3 | 0 | 0 | 0 | 112.7 | V218 A223 L227 N246 I247 R252 V253 Y254 L267 A270 V271 | V218-F250 HydrophobicContact CB-CE2 4.18Å; V218-F250 HydrophobicContact CB-CZ 4.2Å; V218-F250 HydrophobicContact CG1-CE2 4.23Å; V218-F250 HydrophobicContact CG1-CZ 4.3Å; A223-F250 HydrophobicContact CB-CE1 4.4Å; A223-F250 HydrophobicContact CB-CZ 4.17Å; A223-F250 WeakPolarHBondContact O-CE1 3.32Å; L227-F250 HydrophobicContact CB-CD1 4.26Å; L227-F250 HydrophobicContact CB-CE1 3.83Å; L227-F250 HydrophobicContact CB-CZ 4.3Å; L227-F250 HydrophobicContact CD2-CD1 3.69Å; L227-F250 HydrophobicContact CD2-CD2 3.71Å; L227-F250 HydrophobicContact CD2-CE1 3.63Å; L227-F250 HydrophobicContact CD2-CE2 3.66Å; L227-F250 HydrophobicContact CD2-CG 3.73Å; L227-F250 HydrophobicContact CD2-CZ 3.64Å; L227-F250 HydrophobicContact CG-CE1 4.38Å; N246-F250 PolarHBondContact O-N 3.27Å; N246-F250 VanDerWaalsContact O-N 3.16Å; I247-F250 HydrophobicContact CD1-CB 4.39Å; I247-F250 HydrophobicContact CD1-CD1 4.07Å; I247-F250 WeakPolarHBondContact O-CB 3.47Å; I247-F250 PolarHBondContact O-N 3.06Å; F250-R252 VanDerWaalsContact C-N 3.32Å; F250-R252 PolarHBondContact O-N 2.87Å; F250-V253 PolarHBondContact O-N 3.35Å; F250-Y254 VanDerWaalsContact O-CB 3.29Å; F250-Y254 WeakPolarHBondContact O-CB 3.45Å; F250-Y254 PolarHBondContact O-N 2.89Å; F250-L267 WeakPolarHBondContact CD2-O 3.22Å; F250-L267 HydrophobicContact CE2-CB 4Å; F250-A270 HydrophobicContact CB-CB 4.04Å; F250-A270 HydrophobicContact CD2-CB 4.29Å; F250-V271 HydrophobicContact CB-CG1 3.53Å; F250-V271 HydrophobicContact CD2-CG1 4.02Å; F250-V271 HydrophobicContact CG-CG1 3.92Å |
| 251 | C | 97.1 | Very high | 94.3 | Very high | 19 Ų | 19 | 59.7 Ų | 59.7 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 176.2 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | D224 R228 I247 E248 E249 L255 | D224-C251 HydrophobicContact CB-CB 4.32Å; R228-C251 PolarHBondContact NH2-SG 3.22Å; I247-C251 PolarHBondContact O-N 3.18Å; I247-C251 PolarHBondContact O-SG 2.79Å; E248-C251 PolarHBondContact O-N 2.9Å; E249-C251 PolarHBondContact O-N 3.09Å; C251-L255 WeakPolarHBondContact O-CG 3.33Å; C251-L255 PolarHBondContact O-N 3.49Å; C251-L255 VanDerWaalsContact O-N 3.13Å |
| 252 | R | 96.9 | Very high | 94.3 | Very high | 121 Ų | 121 | 60.4 Ų | 60.4 | 46% | 0.457 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 176.7 | -73.4 | -172 | -65.7 | -90.2 | 4.5 | 112.4 | E248 E249 F250 L255 R256 | E248-R252 WeakPolarHBondContact O-CG 3.34Å; E248-R252 PolarHBondContact O-N 2.85Å; E248-R252 VanDerWaalsContact O-N 3.12Å; E248-R252 PolarHBondContact O-NH1 2.83Å; E249-R252 PolarHBondContact O-N 2.94Å; E249-R252 IonicContact OE2-CZ 3.75Å; E249-R252 IonicContact OE2-NE 2.54Å; E249-R252 PolarHBondContact OE2-NE 3.3Å; E249-R252 IonicContact OE2-NH2 2.83Å; E249-R252 PolarHBondContact OE2-NH2 3.17Å; F250-R252 VanDerWaalsContact C-N 3.32Å; F250-R252 PolarHBondContact O-N 2.87Å; R252-L255 PolarHBondContact O-N 2.84Å; R252-R256 VanDerWaalsContact O-CG 3.32Å; R252-R256 WeakPolarHBondContact O-CG 3.5Å; R252-R256 PolarHBondContact O-N 3.21Å |
| 253 | V | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 179.8 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | E249 F250 L255 R256 S257 L267 A270 Y344 | E249-V253 HydrophobicContact CG-CG2 4.09Å; E249-V253 WeakPolarHBondContact O-CB 3.5Å; E249-V253 WeakPolarHBondContact O-CG2 3.23Å; E249-V253 PolarHBondContact O-N 3.24Å; E249-V253 WeakPolarHBondContact OE1-CG2 3.37Å; F250-V253 PolarHBondContact O-N 3.35Å; V253-L255 PolarHBondContact O-N 3.46Å; V253-R256 PolarHBondContact O-N 3.41Å; V253-S257 WeakPolarHBondContact O-CB 3.47Å; V253-S257 PolarHBondContact O-N 2.96Å; V253-S257 PolarHBondContact O-OG 3.06Å; V253-L267 HydrophobicContact CG1-CD2 3.75Å; V253-A270 HydrophobicContact CB-CB 4Å; V253-A270 HydrophobicContact CG1-CB 4.38Å; V253-A270 HydrophobicContact CG2-CB 3.73Å; V253-Y344 HydrophobicContact CB-CE2 4.42Å; V253-Y344 HydrophobicContact CG1-CD2 3.82Å; V253-Y344 HydrophobicContact CG1-CE2 4.06Å; V253-Y344 HydrophobicContact CG1-CG 4.36Å; V253-Y344 HydrophobicContact CG2-CD1 4.36Å; V253-Y344 HydrophobicContact CG2-CD2 3.98Å; V253-Y344 HydrophobicContact CG2-CE1 3.94Å; V253-Y344 HydrophobicContact CG2-CE2 3.53Å; V253-Y344 HydrophobicContact CG2-CG 4.38Å; V253-Y344 VanDerWaalsContact CG2-CZ 3.5Å |
| 254 | Y | 97.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 58.6 Ų | 58.6 | 11% | 0.106 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 178.3 | 176.5 | -101.5 | 0 | 0 | 0 | 111.9 | G220 R221 H222 A223 D224 F250 K258 L267 | G220-Y254 WeakPolarHBondContact O-CE2 3.39Å; G220-Y254 PolarHBondContact O-OH 3.24Å; R221-Y254 WeakPolarHBondContact CA-OH 3.39Å; H222-Y254 PolarHBondContact N-OH 3.35Å; A223-Y254 HydrophobicContact CB-CD2 3.83Å; A223-Y254 HydrophobicContact CB-CE2 3.47Å; A223-Y254 VanDerWaalsContact CB-CE2 3.47Å; D224-Y254 HydrophobicContact CB-CD1 3.64Å; D224-Y254 HydrophobicContact CB-CE1 4.16Å; D224-Y254 HydrophobicContact CB-CG 4.23Å; F250-Y254 VanDerWaalsContact O-CB 3.29Å; F250-Y254 WeakPolarHBondContact O-CB 3.45Å; F250-Y254 PolarHBondContact O-N 2.89Å; Y254-K258 PolarHBondContact O-N 3.29Å; Y254-L267 HydrophobicContact CD2-CD1 4.42Å |
| 255 | L | 95.8 | Very high | 95.8 | Very high | 107 Ų | 107 | 54.9 Ų | 54.9 | 56% | 0.56 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.4 | -45.1 | -179.8 | -69.4 | 173.5 | 0 | 0 | 0 | 112.5 | C251 R252 V253 | C251-L255 WeakPolarHBondContact O-CG 3.33Å; C251-L255 PolarHBondContact O-N 3.49Å; C251-L255 VanDerWaalsContact O-N 3.13Å; R252-L255 PolarHBondContact O-N 2.84Å; V253-L255 PolarHBondContact O-N 3.46Å |
| 256 | R | 95.1 | Very high | 96 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -74.3 | -25.4 | -178.1 | 74.1 | -167.9 | 177.8 | -165.4 | -4.9 | 113.8 | E249 R252 V253 Y344 I345 | E249-R256 IonicContact OE1-CZ 2.67Å; E249-R256 IonicContact OE1-NH1 3.61Å; E249-R256 IonicContact OE1-NH2 3.97Å; E249-R256 PolarHBondContact OE1-NH2 3.06Å; R252-R256 VanDerWaalsContact O-CG 3.32Å; R252-R256 WeakPolarHBondContact O-CG 3.5Å; R252-R256 PolarHBondContact O-N 3.21Å; V253-R256 PolarHBondContact O-N 3.41Å; R256-Y344 PolarHBondContact NE-O 2.75Å; R256-Y344 PolarHBondContact NH2-O 2.72Å; R256-I345 WeakPolarHBondContact CD-O 3.25Å |
| 257 | S | 95.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -96.9 | 2 | -179.4 | 67.8 | 0 | 0 | 0 | 0 | 114.2 | V253 N259 L260 P262 L267 K343 | V253-S257 WeakPolarHBondContact O-CB 3.47Å; V253-S257 PolarHBondContact O-N 2.96Å; V253-S257 PolarHBondContact O-OG 3.06Å; S257-N259 PolarHBondContact O-N 2.74Å; S257-L260 WeakPolarHBondContact O-CB 3.5Å; S257-L260 PolarHBondContact O-N 3.44Å; S257-P262 WeakPolarHBondContact O-CD 3.43Å; S257-L267 WeakPolarHBondContact OG-CD2 3.49Å; S257-K343 VanDerWaalsContact CB-O 3.25Å; S257-K343 WeakPolarHBondContact CB-O 3.21Å |
| 258 | K | 90.4 | Very high | 96.2 | Very high | 146 Ų | 146 | 51 Ų | 51 | 64% | 0.635 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -37.3 | -172.2 | -172.8 | 176 | -179.4 | 179.1 | 0 | 114.7 | Y254 | Y254-K258 PolarHBondContact O-N 3.29Š|
| 259 | N | 91.6 | Very high | 96.2 | Very high | 131 Ų | 131 | 46.7 Ų | 46.7 | 70% | 0.701 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -3.3 | -178.4 | -62.7 | -26.5 | 0 | 0 | 0 | 113.7 | S257 | S257-N259 PolarHBondContact O-N 2.74Š|
| 260 | L | 94.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 12% | 0.12 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -4.8 | -170.6 | -58.3 | -179.9 | 0 | 0 | 0 | 113.9 | S257 K343 E348 | S257-L260 WeakPolarHBondContact O-CB 3.5Å; S257-L260 PolarHBondContact O-N 3.44Å; L260-K343 HydrophobicContact CB-CB 4.13Å; L260-K343 HydrophobicContact CB-CD 4.27Å; L260-K343 HydrophobicContact CB-CG 3.92Å; L260-K343 HydrophobicContact CD1-CB 4.25Å; L260-K343 HydrophobicContact CD1-CG 4.44Å; L260-K343 WeakPolarHBondContact O-CD 3.45Å; L260-K343 VanDerWaalsContact O-CE 3.3Å; L260-K343 WeakPolarHBondContact O-CE 3.34Å; L260-E348 HydrophobicContact CD2-CB 3.59Å; L260-E348 HydrophobicContact CD2-CG 3.46Å; L260-E348 VanDerWaalsContact CD2-CG 3.46Å |
| 261 | K | 94.5 | Very high | 96.2 | Very high | 180 Ų | 180 | 46 Ų | 46 | 78% | 0.783 | 21% | 0.214 | S | C | * | . | trans | 47 | 60.1 | -177.4 | -59.1 | 177.8 | -178.2 | 176.9 | 0 | 111.5 | K343 | K261-K343 PolarHBondContact O-NZ 2.81Š| ||
| 262 | P | 96.4 | Very high | 96.2 | Very high | 17 Ų | 17 | 45.2 Ų | 45.2 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | trans | -63.4 | 153.4 | 176.5 | 30.1 | -37.2 | 0 | 0 | 0 | 111 | S257 T266 L267 K343 | S257-P262 WeakPolarHBondContact O-CD 3.43Å; P262-T266 HydrophobicContact CB-CG2 3.99Å; P262-L267 HydrophobicContact CB-CD2 4.3Å; P262-L267 HydrophobicContact CB-CG 4.22Å; P262-L267 HydrophobicContact CG-CD1 3.92Å; P262-L267 HydrophobicContact CG-CD2 3.65Å; P262-L267 HydrophobicContact CG-CG 3.68Å; P262-K343 HydrophobicContact CB-CB 4.32Å; P262-K343 HydrophobicContact CB-CD 4.4Å | ||
| 263 | E | 97.2 | Very high | 96.2 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | trans | -62.1 | 149 | 169 | -70.4 | -171.6 | -164.4 | 0 | 0 | 110.6 | M265 T266 L267 L294 E340 | E263-M265 PolarHBondContact O-N 2.94Å; E263-M265 VanDerWaalsContact O-N 3.13Å; E263-T266 VanDerWaalsContact O-CB 3.26Å; E263-T266 WeakPolarHBondContact O-CB 3.29Å; E263-T266 PolarHBondContact O-N 3.41Å; E263-L267 PolarHBondContact O-N 2.92Å; E263-L294 HydrophobicContact CB-CD2 4.3Å; E263-L294 WeakPolarHBondContact OE2-CD2 3.36Å; E263-E340 HydrophobicContact CG-CG 4.36Å; E263-E340 PolarHBondContact N-OE2 3.04Å | ||
| 264 | P | 97.7 | Very high | 96.1 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 21% | 0.214 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.5 | -36.1 | 177.8 | -25.8 | 32.3 | 0 | 0 | 0 | 113.4 | W211 K215 V218 V219 L267 L268 | W211-P264 HydrophobicContact CH2-CB 4.37Å; K215-P264 HydrophobicContact CB-CB 3.94Å; K215-P264 HydrophobicContact CB-CG 4.06Å; K215-P264 HydrophobicContact CD-CB 4.16Å; K215-P264 HydrophobicContact CD-CG 4.12Å; K215-P264 HydrophobicContact CG-CB 3.69Å; K215-P264 HydrophobicContact CG-CG 4.05Å; V218-P264 HydrophobicContact CG2-CB 3.8Å; V219-P264 HydrophobicContact CG1-CB 3.96Å; V219-P264 HydrophobicContact CG1-CG 3.72Å; P264-L267 PolarHBondContact O-N 2.86Å; P264-L268 WeakPolarHBondContact O-CB 3.34Å; P264-L268 PolarHBondContact O-N 3.32Å |
| 265 | M | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.6 | -34.5 | 178.3 | -167.6 | 66.6 | -99.4 | 0 | 0 | 111.6 | W211 E263 L267 L268 S269 L272 L281 L287 E291 L294 | W211-M265 HydrophobicContact CH2-SD 4.11Å; W211-M265 HydrophobicContact CZ2-SD 4.22Å; E263-M265 PolarHBondContact O-N 2.94Å; E263-M265 VanDerWaalsContact O-N 3.13Å; M265-L267 VanDerWaalsContact C-N 3.32Å; M265-L267 PolarHBondContact O-N 2.7Å; M265-L268 HydrophobicContact CE-CB 3.75Å; M265-L268 HydrophobicContact CE-CD2 3.99Å; M265-L268 HydrophobicContact CE-CG 4.02Å; M265-L268 PolarHBondContact O-N 2.81Å; M265-S269 WeakPolarHBondContact O-CB 3.42Å; M265-S269 PolarHBondContact O-N 3.13Å; M265-S269 PolarHBondContact O-OG 3.02Å; M265-L272 HydrophobicContact CE-CD1 4.44Å; M265-L281 HydrophobicContact CE-CD2 4.02Å; M265-L287 HydrophobicContact SD-CD1 4.03Å; M265-L287 HydrophobicContact SD-CD2 4.42Å; M265-E291 HydrophobicContact CB-CB 4.36Å; M265-E291 HydrophobicContact CB-CG 4.31Å; M265-E291 HydrophobicContact CG-CB 4.04Å; M265-E291 VanDerWaalsContact CG-O 3.31Å; M265-E291 WeakPolarHBondContact CG-O 3.43Å; M265-E291 HydrophobicContact SD-CB 4.31Å; M265-L294 HydrophobicContact CB-CD2 4.21Å |
| 266 | T | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 173.9 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | P262 E263 I298 E340 Y344 | P262-T266 HydrophobicContact CB-CG2 3.99Å; E263-T266 VanDerWaalsContact O-CB 3.26Å; E263-T266 WeakPolarHBondContact O-CB 3.29Å; E263-T266 PolarHBondContact O-N 3.41Å; T266-I298 HydrophobicContact CG2-CD1 3.79Å; T266-E340 WeakPolarHBondContact CB-OE2 3.31Å; T266-E340 HydrophobicContact CG2-CB 4.36Å; T266-E340 WeakPolarHBondContact CG2-O 3.45Å; T266-E340 PolarHBondContact OG1-OE2 2.91Å; T266-Y344 HydrophobicContact CG2-CD2 4.34Å; T266-Y344 WeakPolarHBondContact O-CD2 3.34Å |
| 267 | L | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.4 | -48.7 | 175.5 | -66.1 | -179.9 | 0 | 0 | 0 | 111.4 | V218 V219 F250 V253 Y254 S257 P262 E263 P264 M265 S269 A270 | V218-L267 HydrophobicContact CB-CB 4.47Å; V218-L267 WeakPolarHBondContact O-CD1 3.33Å; V219-L267 HydrophobicContact CB-CD1 4.46Å; V219-L267 HydrophobicContact CG1-CD1 3.95Å; F250-L267 WeakPolarHBondContact CD2-O 3.22Å; F250-L267 HydrophobicContact CE2-CB 4Å; V253-L267 HydrophobicContact CG1-CD2 3.75Å; Y254-L267 HydrophobicContact CD2-CD1 4.42Å; S257-L267 WeakPolarHBondContact OG-CD2 3.49Å; P262-L267 HydrophobicContact CB-CD2 4.3Å; P262-L267 HydrophobicContact CB-CG 4.22Å; P262-L267 HydrophobicContact CG-CD1 3.92Å; P262-L267 HydrophobicContact CG-CD2 3.65Å; P262-L267 HydrophobicContact CG-CG 3.68Å; E263-L267 PolarHBondContact O-N 2.92Å; P264-L267 PolarHBondContact O-N 2.86Å; M265-L267 VanDerWaalsContact C-N 3.32Å; M265-L267 PolarHBondContact O-N 2.7Å; L267-S269 VanDerWaalsContact C-N 3.26Å; L267-S269 PolarHBondContact O-N 3.28Å; L267-A270 WeakPolarHBondContact O-CB 3.22Å; L267-A270 PolarHBondContact O-N 3.25Å |
| 268 | L | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -25.2 | -177 | -173.5 | 73.2 | 0 | 0 | 0 | 112.6 | W211 L214 V218 L241 P264 M265 A270 V271 L281 | W211-L268 HydrophobicContact CE3-CD2 4.4Å; W211-L268 HydrophobicContact CH2-CD2 3.98Å; W211-L268 HydrophobicContact CZ3-CD2 3.5Å; L214-L268 HydrophobicContact CD2-CD1 4.17Å; L214-L268 HydrophobicContact CD2-CD2 3.79Å; V218-L268 HydrophobicContact CG1-CD1 4.17Å; L241-L268 HydrophobicContact CD1-CD1 4.37Å; L241-L268 HydrophobicContact CD2-CD1 4.15Å; P264-L268 WeakPolarHBondContact O-CB 3.34Å; P264-L268 PolarHBondContact O-N 3.32Å; M265-L268 HydrophobicContact CE-CB 3.75Å; M265-L268 HydrophobicContact CE-CD2 3.99Å; M265-L268 HydrophobicContact CE-CG 4.02Å; M265-L268 PolarHBondContact O-N 2.81Å; L268-A270 PolarHBondContact O-N 2.85Å; L268-A270 VanDerWaalsContact O-N 3.13Å; L268-V271 HydrophobicContact CD1-CG2 3.73Å; L268-V271 HydrophobicContact CG-CG2 4.25Å; L268-V271 WeakPolarHBondContact O-CG2 3.32Å; L268-V271 PolarHBondContact O-N 3.45Å; L268-L281 HydrophobicContact CD2-CD1 4.46Å; L268-L281 HydrophobicContact CD2-CD2 3.74Å; L268-L281 HydrophobicContact CG-CD2 4.41Å |
| 269 | S | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -61 | -20.5 | 170.7 | -64.5 | 0 | 0 | 0 | 0 | 113.4 | M265 L267 V271 L272 S295 R302 | M265-S269 WeakPolarHBondContact O-CB 3.42Å; M265-S269 PolarHBondContact O-N 3.13Å; M265-S269 PolarHBondContact O-OG 3.02Å; L267-S269 VanDerWaalsContact C-N 3.26Å; L267-S269 PolarHBondContact O-N 3.28Å; S269-V271 VanDerWaalsContact C-N 3.28Å; S269-V271 PolarHBondContact O-N 2.93Å; S269-L272 PolarHBondContact O-N 2.87Å; S269-S295 WeakPolarHBondContact OG-CA 3.36Å; S269-S295 VanDerWaalsContact OG-CB 3.26Å; S269-S295 WeakPolarHBondContact OG-CB 3.46Å; S269-S295 PolarHBondContact OG-OG 3.08Å; S269-R302 PolarHBondContact O-NH1 3.2Å |
| 270 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -66.1 | -28.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | E249 F250 V253 L267 L268 L272 Y344 | E249-A270 HydrophobicContact CG-CB 4.23Å; F250-A270 HydrophobicContact CB-CB 4.04Å; F250-A270 HydrophobicContact CD2-CB 4.29Å; V253-A270 HydrophobicContact CB-CB 4Å; V253-A270 HydrophobicContact CG1-CB 4.38Å; V253-A270 HydrophobicContact CG2-CB 3.73Å; L267-A270 WeakPolarHBondContact O-CB 3.22Å; L267-A270 PolarHBondContact O-N 3.25Å; L268-A270 PolarHBondContact O-N 2.85Å; L268-A270 VanDerWaalsContact O-N 3.13Å; A270-L272 VanDerWaalsContact C-N 3.31Å; A270-Y344 HydrophobicContact CB-CE2 3.76Å |
| 271 | V | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -81.6 | -10.7 | 177.1 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | L227 L241 A245 N246 F250 L268 S269 | L227-V271 HydrophobicContact CD2-CG1 3.7Å; L241-V271 HydrophobicContact CD1-CG2 4.42Å; L241-V271 HydrophobicContact CD2-CG2 3.82Å; A245-V271 CarbonylContact C-O 3.59Å; A245-V271 WeakPolarHBondContact CA-O 3.43Å; A245-V271 HydrophobicContact CB-CB 4.26Å; N246-V271 PolarHBondContact N-O 3.19Å; F250-V271 HydrophobicContact CB-CG1 3.53Å; F250-V271 HydrophobicContact CD2-CG1 4.02Å; F250-V271 HydrophobicContact CG-CG1 3.92Å; L268-V271 HydrophobicContact CD1-CG2 3.73Å; L268-V271 HydrophobicContact CG-CG2 4.25Å; L268-V271 WeakPolarHBondContact O-CG2 3.32Å; L268-V271 PolarHBondContact O-N 3.45Å; S269-V271 VanDerWaalsContact C-N 3.28Å; S269-V271 PolarHBondContact O-N 2.93Å |
| 272 | L | 97.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | trans | -95.5 | 137.6 | -175.9 | -51 | 172.8 | 0 | 0 | 0 | 110.3 | L241 M265 S269 A270 E277 V278 L281 S295 V299 R302 | L241-L272 HydrophobicContact CD2-CD2 4.35Å; M265-L272 HydrophobicContact CE-CD1 4.44Å; S269-L272 PolarHBondContact O-N 2.87Å; A270-L272 VanDerWaalsContact C-N 3.31Å; L272-E277 WeakPolarHBondContact CA-OE2 3.39Å; L272-E277 HydrophobicContact CB-CB 4.25Å; L272-E277 HydrophobicContact CD2-CB 4.09Å; L272-V278 HydrophobicContact CD1-CB 4.44Å; L272-V278 HydrophobicContact CD1-CG2 3.79Å; L272-L281 HydrophobicContact CD1-CD2 3.91Å; L272-L281 HydrophobicContact CD2-CD2 4.4Å; L272-S295 WeakPolarHBondContact CD1-OG 3.44Å; L272-V299 HydrophobicContact CB-CG2 4.22Å; L272-R302 VanDerWaalsContact O-CZ 3.25Å; L272-R302 PolarHBondContact O-NH1 3.31Å; L272-R302 PolarHBondContact O-NH2 2.84Å | ||
| 273 | N | 95.7 | Very high | 96.6 | Very high | 63 Ų | 63 | 31.6 Ų | 31.6 | 34% | 0.337 | 16% | 0.157 | S | C | . | . | trans | -100.2 | -16.3 | -179 | -55.7 | -65.6 | 0 | 0 | 0 | 114 | D244 N246 E277 | D244-N273 PolarHBondContact O-ND2 3.43Å; N246-N273 WeakPolarHBondContact CB-OD1 3.39Å; N273-E277 WeakPolarHBondContact CB-OE1 3.44Å; N273-E277 PolarHBondContact N-OE2 2.7Å | ||
| 274 | S | 95.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 25% | 0.252 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -151.8 | 159 | -169.8 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | D276 E277 V278 | S274-D276 PolarHBondContact O-N 2.67Å; S274-E277 WeakPolarHBondContact O-CB 3.49Å; S274-E277 PolarHBondContact O-N 2.98Å; S274-E277 WeakPolarHBondContact OG-CG 3.43Å; S274-E277 PolarHBondContact OG-N 3.38Å; S274-E277 PolarHBondContact OG-OE1 3.42Å; S274-V278 PolarHBondContact O-N 3.44Å |
| 275 | E | 95.3 | Very high | 96.6 | Very high | 46 Ų | 46 | 28.8 Ų | 28.8 | 22% | 0.215 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.2 | -36.9 | 172.6 | -63.3 | -178.6 | -99.5 | 0 | 0 | 111.2 | E277 V278 Y279 I296 L300 | E275-E277 VanDerWaalsContact C-N 3.31Å; E275-E277 PolarHBondContact O-N 2.8Å; E275-V278 WeakPolarHBondContact O-CA 3.32Å; E275-V278 WeakPolarHBondContact O-CB 3.33Å; E275-V278 PolarHBondContact O-N 2.84Å; E275-Y279 HydrophobicContact CB-CE2 4.31Å; E275-Y279 WeakPolarHBondContact O-CD2 3.38Å; E275-Y279 PolarHBondContact O-N 2.79Å; E275-I296 HydrophobicContact CG-CG2 4.29Å; E275-L300 HydrophobicContact CG-CD2 3.99Å; E275-L300 HydrophobicContact CG-CG 4.08Å; E275-L300 WeakPolarHBondContact OE1-CD2 3.24Å |
| 276 | D | 94.9 | Very high | 96.4 | Very high | 110 Ų | 110 | 34.2 Ų | 34.2 | 59% | 0.588 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -62.4 | -35.7 | 178.4 | -69.9 | -25.9 | 0 | 0 | 0 | 112.5 | S274 Y279 R280 | S274-D276 PolarHBondContact O-N 2.67Å; D276-Y279 PolarHBondContact O-N 3.26Å; D276-R280 WeakPolarHBondContact O-CG 3.29Å; D276-R280 PolarHBondContact O-N 2.79Å |
| 277 | E | 96.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -36.2 | 171.5 | -78.6 | 162.6 | -116.5 | 0 | 0 | 112.7 | L272 N273 S274 E275 Y279 R280 L281 | L272-E277 WeakPolarHBondContact CA-OE2 3.39Å; L272-E277 HydrophobicContact CB-CB 4.25Å; L272-E277 HydrophobicContact CD2-CB 4.09Å; N273-E277 WeakPolarHBondContact CB-OE1 3.44Å; N273-E277 PolarHBondContact N-OE2 2.7Å; S274-E277 WeakPolarHBondContact O-CB 3.49Å; S274-E277 PolarHBondContact O-N 2.98Å; S274-E277 WeakPolarHBondContact OG-CG 3.43Å; S274-E277 PolarHBondContact OG-N 3.38Å; S274-E277 PolarHBondContact OG-OE1 3.42Å; E275-E277 VanDerWaalsContact C-N 3.31Å; E275-E277 PolarHBondContact O-N 2.8Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 2.71Å; E277-R280 PolarHBondContact O-N 3.41Å; E277-L281 WeakPolarHBondContact O-CB 3.38Å; E277-L281 PolarHBondContact O-N 2.68Å |
| 278 | V | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 174.2 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | L272 S274 E275 L281 D282 R292 S295 I296 V299 | L272-V278 HydrophobicContact CD1-CB 4.44Å; L272-V278 HydrophobicContact CD1-CG2 3.79Å; S274-V278 PolarHBondContact O-N 3.44Å; E275-V278 WeakPolarHBondContact O-CA 3.32Å; E275-V278 WeakPolarHBondContact O-CB 3.33Å; E275-V278 PolarHBondContact O-N 2.84Å; V278-L281 PolarHBondContact O-N 3.24Å; V278-D282 WeakPolarHBondContact O-CB 3.07Å; V278-D282 PolarHBondContact O-N 3.14Å; V278-R292 HydrophobicContact CG1-CG 4.42Å; V278-S295 WeakPolarHBondContact CG1-OG 3.5Å; V278-S295 WeakPolarHBondContact CG2-OG 3.43Å; V278-I296 HydrophobicContact CB-CG1 4.09Å; V278-I296 HydrophobicContact CG1-CG1 3.83Å; V278-I296 HydrophobicContact CG2-CG1 4.36Å; V278-V299 HydrophobicContact CG2-CG2 3.98Å |
| 279 | Y | 95.5 | Very high | 96 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 13% | 0.129 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -41.5 | 176.3 | -69.5 | -63.6 | 0 | 0 | 0 | 112.4 | E275 D276 E277 L281 D282 D283 I296 P432 | E275-Y279 HydrophobicContact CB-CE2 4.31Å; E275-Y279 WeakPolarHBondContact O-CD2 3.38Å; E275-Y279 PolarHBondContact O-N 2.79Å; D276-Y279 PolarHBondContact O-N 3.26Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 2.71Å; Y279-L281 VanDerWaalsContact C-N 3.32Å; Y279-L281 PolarHBondContact O-N 3.43Å; Y279-D282 PolarHBondContact O-N 3.37Å; Y279-D283 PolarHBondContact O-N 3.26Å; Y279-I296 HydrophobicContact CE1-CD1 4Å; Y279-I296 HydrophobicContact CE2-CD1 4.31Å; Y279-P432 HydrophobicContact CD1-CG 4.27Å; Y279-P432 HydrophobicContact CD2-CG 3.58Å; Y279-P432 HydrophobicContact CE1-CG 4.04Å; Y279-P432 HydrophobicContact CE2-CG 3.32Å; Y279-P432 HydrophobicContact CG-CG 4.07Å; Y279-P432 WeakPolarHBondContact OH-CD 3.48Å |
| 280 | R | 95.1 | Very high | 95.9 | Very high | 132 Ų | 132 | 45.9 Ų | 45.9 | 50% | 0.498 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -41 | 173.7 | -73.7 | -171.1 | -72.4 | 167.6 | -4.7 | 112.3 | D276 E277 D283 R284 | D276-R280 WeakPolarHBondContact O-CG 3.29Å; D276-R280 PolarHBondContact O-N 2.79Å; E277-R280 PolarHBondContact O-N 3.41Å; R280-D283 PolarHBondContact O-N 3.32Å; R280-R284 PolarHBondContact O-N 2.91Å |
| 281 | L | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 175.7 | -175.2 | 70.5 | 0 | 0 | 0 | 111 | G240 L241 M265 L268 L272 E277 V278 Y279 D283 R284 L285 L287 | G240-L281 WeakPolarHBondContact O-CD1 3.48Å; L241-L281 HydrophobicContact CD2-CD1 3.91Å; M265-L281 HydrophobicContact CE-CD2 4.02Å; L268-L281 HydrophobicContact CD2-CD1 4.46Å; L268-L281 HydrophobicContact CD2-CD2 3.74Å; L268-L281 HydrophobicContact CG-CD2 4.41Å; L272-L281 HydrophobicContact CD1-CD2 3.91Å; L272-L281 HydrophobicContact CD2-CD2 4.4Å; E277-L281 WeakPolarHBondContact O-CB 3.38Å; E277-L281 PolarHBondContact O-N 2.68Å; V278-L281 PolarHBondContact O-N 3.24Å; Y279-L281 VanDerWaalsContact C-N 3.32Å; Y279-L281 PolarHBondContact O-N 3.43Å; L281-D283 PolarHBondContact O-N 2.87Å; L281-R284 PolarHBondContact O-N 2.88Å; L281-L285 HydrophobicContact CD1-CD1 3.41Å; L281-L285 VanDerWaalsContact CD1-CD1 3.41Å; L281-L285 HydrophobicContact CD1-CG 3.96Å; L281-L285 HydrophobicContact CG-CD1 3.97Å; L281-L285 HydrophobicContact CG-CG 4.43Å; L281-L285 WeakPolarHBondContact O-CB 3.26Å; L281-L285 PolarHBondContact O-N 3.35Å; L281-L287 HydrophobicContact CD2-CD1 4.12Å; L281-L287 HydrophobicContact CG-CD1 4.25Å |
| 282 | D | 96.7 | Very high | 95.8 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.4 | -176.5 | 38.5 | 0 | 0 | 0 | 112.3 | V278 Y279 R284 L285 K286 L287 R292 | V278-D282 WeakPolarHBondContact O-CB 3.07Å; V278-D282 PolarHBondContact O-N 3.14Å; Y279-D282 PolarHBondContact O-N 3.37Å; D282-R284 PolarHBondContact O-N 3.4Å; D282-L285 PolarHBondContact O-N 3.46Å; D282-K286 VanDerWaalsContact O-CA 3.31Å; D282-K286 WeakPolarHBondContact O-CA 3.41Å; D282-K286 PolarHBondContact O-N 2.85Å; D282-L287 HydrophobicContact CB-CD1 4.15Å; D282-L287 HydrophobicContact CB-CG 4.37Å; D282-L287 WeakPolarHBondContact OD1-CA 2.99Å; D282-L287 WeakPolarHBondContact OD1-CB 3.31Å; D282-L287 PolarHBondContact OD1-N 3.3Å; D282-R292 IonicContact OD1-NH1 3.88Å; D282-R292 VanDerWaalsContact OD2-CD 3.25Å; D282-R292 WeakPolarHBondContact OD2-CD 3.35Å; D282-R292 IonicContact OD2-CZ 3.19Å; D282-R292 IonicContact OD2-NE 2.78Å; D282-R292 IonicContact OD2-NH1 2.72Å; D282-R292 PolarHBondContact OD2-NH1 3.03Å |
| 283 | D | 95.4 | Very high | 95.7 | Very high | 97 Ų | 97 | 53 Ų | 53 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.4 | -36.7 | 177.3 | -76.7 | -23.7 | 0 | 0 | 0 | 112.1 | Y279 R280 L281 K286 | Y279-D283 PolarHBondContact O-N 3.26Å; R280-D283 PolarHBondContact O-N 3.32Å; L281-D283 PolarHBondContact O-N 2.87Å; D283-K286 WeakPolarHBondContact O-CE 3.09Å; D283-K286 PolarHBondContact O-NZ 2.84Å |
| 284 | R | 96.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -80.8 | -40.4 | -179.4 | 178.4 | 58.5 | -169.7 | 108.6 | -16.8 | 113.7 | L202 I205 G207 I210 Y238 R280 L281 D282 | L202-R284 PolarHBondContact O-NH2 3.18Å; I205-R284 PolarHBondContact O-NH1 3.05Å; I205-R284 VanDerWaalsContact O-NH1 3.14Å; I205-R284 PolarHBondContact O-NH2 3.31Å; G207-R284 WeakPolarHBondContact CA-O 3.39Å; I210-R284 VanDerWaalsContact CD1-CZ 3.48Å; Y238-R284 PolarHBondContact O-NE 3.27Å; Y238-R284 PolarHBondContact O-NH2 3.22Å; R280-R284 PolarHBondContact O-N 2.91Å; L281-R284 PolarHBondContact O-N 2.88Å; D282-R284 PolarHBondContact O-N 3.4Å |
| 285 | L | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -104.5 | -11.3 | -169.1 | -64.2 | -169.1 | 0 | 0 | 0 | 114.5 | G207 I210 W211 L214 L281 D282 L287 | G207-L285 CarbonylContact C-O 3.44Å; I210-L285 HydrophobicContact CB-CD2 3.92Å; I210-L285 HydrophobicContact CG2-CD2 3.42Å; I210-L285 VanDerWaalsContact CG2-CD2 3.42Å; W211-L285 HydrophobicContact CB-CB 4.23Å; W211-L285 HydrophobicContact CD2-CD1 4.41Å; W211-L285 HydrophobicContact CE3-CD1 3.91Å; L214-L285 HydrophobicContact CD2-CD1 4.05Å; L281-L285 HydrophobicContact CD1-CD1 3.41Å; L281-L285 VanDerWaalsContact CD1-CD1 3.41Å; L281-L285 HydrophobicContact CD1-CG 3.96Å; L281-L285 HydrophobicContact CG-CD1 3.97Å; L281-L285 HydrophobicContact CG-CG 4.43Å; L281-L285 WeakPolarHBondContact O-CB 3.26Å; L281-L285 PolarHBondContact O-N 3.35Å; D282-L285 PolarHBondContact O-N 3.46Å; L285-L287 HydrophobicContact CB-CD2 4.02Å; L285-L287 HydrophobicContact CB-CG 4.41Å |
| 286 | K | 95 | Very high | 95.9 | Very high | 115 Ų | 115 | 47.5 Ų | 47.5 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | trans | 55.6 | 59.8 | -177.5 | -52.4 | -50.7 | -173.7 | -162.9 | 0 | 111.1 | E208 D282 D283 | E208-K286 HydrophobicContact CG-CB 4.29Å; E208-K286 WeakPolarHBondContact OE1-CG 3.31Å; D282-K286 VanDerWaalsContact O-CA 3.31Å; D282-K286 WeakPolarHBondContact O-CA 3.41Å; D282-K286 PolarHBondContact O-N 2.85Å; D283-K286 WeakPolarHBondContact O-CE 3.09Å; D283-K286 PolarHBondContact O-NZ 2.84Å | ||
| 287 | L | 96.1 | Very high | 96 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | trans | -65.2 | 150 | -177.5 | -58.4 | 175.1 | 0 | 0 | 0 | 110 | W211 M265 L281 D282 L285 E291 | W211-L287 HydrophobicContact CD2-CD2 3.84Å; W211-L287 HydrophobicContact CE3-CD2 4.43Å; W211-L287 HydrophobicContact CG-CD2 4.17Å; W211-L287 HydrophobicContact CZ2-CD2 3.9Å; M265-L287 HydrophobicContact SD-CD1 4.03Å; M265-L287 HydrophobicContact SD-CD2 4.42Å; L281-L287 HydrophobicContact CD2-CD1 4.12Å; L281-L287 HydrophobicContact CG-CD1 4.25Å; D282-L287 HydrophobicContact CB-CD1 4.15Å; D282-L287 HydrophobicContact CB-CG 4.37Å; D282-L287 WeakPolarHBondContact OD1-CA 2.99Å; D282-L287 WeakPolarHBondContact OD1-CB 3.31Å; D282-L287 PolarHBondContact OD1-N 3.3Å; L285-L287 HydrophobicContact CB-CD2 4.02Å; L285-L287 HydrophobicContact CB-CG 4.41Å; L287-E291 HydrophobicContact CB-CB 4.16Å | ||
| 288 | S | 95.5 | Very high | 96.1 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 37% | 0.371 | 21% | 0.209 | S | C | . | . | trans | -64 | 154.8 | 168.4 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | N290 E291 R292 | S288-N290 PolarHBondContact O-N 3.37Å; S288-N290 VanDerWaalsContact O-N 3.14Å; S288-E291 WeakPolarHBondContact CB-OE2 3.44Å; S288-E291 PolarHBondContact N-OE2 3.39Å; S288-E291 PolarHBondContact O-N 2.98Å; S288-E291 VanDerWaalsContact O-N 3.14Å; S288-E291 WeakPolarHBondContact OG-CB 3.22Å; S288-E291 VanDerWaalsContact OG-CG 3.22Å; S288-E291 WeakPolarHBondContact OG-CG 3.47Å; S288-E291 PolarHBondContact OG-N 2.94Å; S288-E291 PolarHBondContact OG-OE2 2.74Å; S288-R292 PolarHBondContact O-N 2.99Å | ||
| 289 | S | 93.6 | Very high | 96.1 | Very high | 69 Ų | 69 | 43.3 Ų | 43.3 | 48% | 0.483 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53.7 | -36.9 | 176.2 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | I293 | S289-I293 WeakPolarHBondContact O-CB 3.46Å; S289-I293 WeakPolarHBondContact O-CD1 3.19Å; S289-I293 WeakPolarHBondContact O-CG1 3.08Å; S289-I293 PolarHBondContact O-N 3.28Å; S289-I293 VanDerWaalsContact O-N 3.07Å |
| 290 | N | 94.2 | Very high | 96.1 | Very high | 114 Ų | 114 | 45.5 Ų | 45.5 | 61% | 0.61 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -68.7 | -47.6 | 178.3 | -71.9 | -8.1 | 0 | 0 | 0 | 111.7 | S288 R292 I293 L294 | S288-N290 PolarHBondContact O-N 3.37Å; S288-N290 VanDerWaalsContact O-N 3.14Å; N290-R292 PolarHBondContact O-N 3.38Å; N290-I293 PolarHBondContact O-N 2.68Å; N290-L294 VanDerWaalsContact O-CB 3.29Å; N290-L294 WeakPolarHBondContact O-CB 3.32Å; N290-L294 PolarHBondContact O-N 3.47Å |
| 291 | E | 96.7 | Very high | 96.1 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 177.1 | -73.3 | 160.7 | 151.5 | 0 | 0 | 110.7 | W211 K215 M265 L287 S288 I293 L294 S295 | W211-E291 HydrophobicContact CZ2-CG 4.38Å; W211-E291 WeakPolarHBondContact CZ2-OE1 3.07Å; W211-E291 PolarHBondContact NE1-OE1 3.07Å; W211-E291 PolarHBondContact NE1-OE2 2.65Å; K215-E291 IonicContact NZ-OE1 2.72Å; K215-E291 PolarHBondContact NZ-OE1 3.32Å; M265-E291 HydrophobicContact CB-CB 4.36Å; M265-E291 HydrophobicContact CB-CG 4.31Å; M265-E291 HydrophobicContact CG-CB 4.04Å; M265-E291 VanDerWaalsContact CG-O 3.31Å; M265-E291 WeakPolarHBondContact CG-O 3.43Å; M265-E291 HydrophobicContact SD-CB 4.31Å; L287-E291 HydrophobicContact CB-CB 4.16Å; S288-E291 WeakPolarHBondContact CB-OE2 3.44Å; S288-E291 PolarHBondContact N-OE2 3.39Å; S288-E291 PolarHBondContact O-N 2.98Å; S288-E291 VanDerWaalsContact O-N 3.14Å; S288-E291 WeakPolarHBondContact OG-CB 3.22Å; S288-E291 VanDerWaalsContact OG-CG 3.22Å; S288-E291 WeakPolarHBondContact OG-CG 3.47Å; S288-E291 PolarHBondContact OG-N 2.94Å; S288-E291 PolarHBondContact OG-OE2 2.74Å; E291-I293 PolarHBondContact O-N 2.98Å; E291-L294 PolarHBondContact O-N 3.28Å; E291-S295 WeakPolarHBondContact O-CB 3.25Å; E291-S295 PolarHBondContact O-N 2.99Å |
| 292 | R | 96.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 21% | 0.211 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 176.9 | 179 | 177.3 | 61.2 | -128.2 | -8.3 | 112.3 | V278 D282 S288 N290 S295 I296 | V278-R292 HydrophobicContact CG1-CG 4.42Å; D282-R292 IonicContact OD1-NH1 3.88Å; D282-R292 VanDerWaalsContact OD2-CD 3.25Å; D282-R292 WeakPolarHBondContact OD2-CD 3.35Å; D282-R292 IonicContact OD2-CZ 3.19Å; D282-R292 IonicContact OD2-NE 2.78Å; D282-R292 IonicContact OD2-NH1 2.72Å; D282-R292 PolarHBondContact OD2-NH1 3.03Å; S288-R292 PolarHBondContact O-N 2.99Å; N290-R292 PolarHBondContact O-N 3.38Å; R292-S295 PolarHBondContact O-N 3.29Å; R292-I296 HydrophobicContact CG-CD1 3.94Å; R292-I296 WeakPolarHBondContact O-CG1 3.38Å; R292-I296 PolarHBondContact O-N 3.08Å |
| 293 | I | 95.3 | Very high | 96 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.5 | -40.6 | -178.2 | -66.5 | 165.3 | 0 | 0 | 0 | 110.9 | S289 N290 E291 S295 F297 R337 | S289-I293 WeakPolarHBondContact O-CB 3.46Å; S289-I293 WeakPolarHBondContact O-CD1 3.19Å; S289-I293 WeakPolarHBondContact O-CG1 3.08Å; S289-I293 PolarHBondContact O-N 3.28Å; S289-I293 VanDerWaalsContact O-N 3.07Å; N290-I293 PolarHBondContact O-N 2.68Å; E291-I293 PolarHBondContact O-N 2.98Å; I293-S295 VanDerWaalsContact C-N 3.34Å; I293-F297 VanDerWaalsContact O-CB 3.27Å; I293-F297 WeakPolarHBondContact O-CB 3.43Å; I293-F297 PolarHBondContact O-N 3.44Å; I293-R337 VanDerWaalsContact CG2-NH1 3.26Å |
| 294 | L | 97.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -46 | 174.4 | 172.5 | 61.1 | 0 | 0 | 0 | 111 | E263 M265 N290 E291 F297 I298 R337 E340 | E263-L294 HydrophobicContact CB-CD2 4.3Å; E263-L294 WeakPolarHBondContact OE2-CD2 3.36Å; M265-L294 HydrophobicContact CB-CD2 4.21Å; N290-L294 VanDerWaalsContact O-CB 3.29Å; N290-L294 WeakPolarHBondContact O-CB 3.32Å; N290-L294 PolarHBondContact O-N 3.47Å; E291-L294 PolarHBondContact O-N 3.28Å; L294-F297 WeakPolarHBondContact O-CB 3.26Å; L294-F297 PolarHBondContact O-N 2.67Å; L294-I298 HydrophobicContact CD1-CD1 3.82Å; L294-I298 HydrophobicContact CD1-CG1 4.2Å; L294-I298 HydrophobicContact CG-CD1 4.09Å; L294-I298 WeakPolarHBondContact O-CG1 3.47Å; L294-I298 PolarHBondContact O-N 3.09Å; L294-R337 HydrophobicContact CB-CG 4.42Å; L294-R337 HydrophobicContact CD1-CB 4.23Å; L294-R337 HydrophobicContact CD1-CG 3.88Å; L294-E340 HydrophobicContact CD1-CB 3.68Å; L294-E340 HydrophobicContact CD1-CG 4.08Å; L294-E340 HydrophobicContact CD2-CG 4.3Å |
| 295 | S | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | -179.2 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | S269 L272 V278 E291 R292 I293 F297 I298 V299 | S269-S295 WeakPolarHBondContact OG-CA 3.36Å; S269-S295 VanDerWaalsContact OG-CB 3.26Å; S269-S295 WeakPolarHBondContact OG-CB 3.46Å; S269-S295 PolarHBondContact OG-OG 3.08Å; L272-S295 WeakPolarHBondContact CD1-OG 3.44Å; V278-S295 WeakPolarHBondContact CG1-OG 3.5Å; V278-S295 WeakPolarHBondContact CG2-OG 3.43Å; E291-S295 WeakPolarHBondContact O-CB 3.25Å; E291-S295 PolarHBondContact O-N 2.99Å; R292-S295 PolarHBondContact O-N 3.29Å; I293-S295 VanDerWaalsContact C-N 3.34Å; S295-F297 VanDerWaalsContact C-N 3.29Å; S295-F297 PolarHBondContact O-N 3.11Å; S295-I298 PolarHBondContact O-N 3.35Å; S295-V299 WeakPolarHBondContact O-CG2 3.37Å; S295-V299 PolarHBondContact O-N 3.23Å |
| 296 | I | 96.7 | Very high | 95.6 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.7 | -44.9 | 173.5 | -69.5 | 169 | 0 | 0 | 0 | 110.5 | E275 V278 Y279 R292 I298 V299 L300 | E275-I296 HydrophobicContact CG-CG2 4.29Å; V278-I296 HydrophobicContact CB-CG1 4.09Å; V278-I296 HydrophobicContact CG1-CG1 3.83Å; V278-I296 HydrophobicContact CG2-CG1 4.36Å; Y279-I296 HydrophobicContact CE1-CD1 4Å; Y279-I296 HydrophobicContact CE2-CD1 4.31Å; R292-I296 HydrophobicContact CG-CD1 3.94Å; R292-I296 WeakPolarHBondContact O-CG1 3.38Å; R292-I296 PolarHBondContact O-N 3.08Å; I296-I298 PolarHBondContact O-N 3.18Å; I296-V299 PolarHBondContact O-N 3.23Å; I296-L300 HydrophobicContact CG2-CD1 3.73Å; I296-L300 HydrophobicContact CG2-CG 4.3Å; I296-L300 WeakPolarHBondContact O-CB 3.47Å; I296-L300 VanDerWaalsContact O-CG 3.32Å; I296-L300 WeakPolarHBondContact O-CG 3.27Å; I296-L300 PolarHBondContact O-N 3.42Å |
| 297 | F | 96.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 10% | 0.096 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 179.4 | 178.8 | -91.3 | 0 | 0 | 0 | 111.9 | I293 L294 S295 L300 H301 L321 R337 L341 | I293-F297 VanDerWaalsContact O-CB 3.27Å; I293-F297 WeakPolarHBondContact O-CB 3.43Å; I293-F297 PolarHBondContact O-N 3.44Å; L294-F297 WeakPolarHBondContact O-CB 3.26Å; L294-F297 PolarHBondContact O-N 2.67Å; S295-F297 VanDerWaalsContact C-N 3.29Å; S295-F297 PolarHBondContact O-N 3.11Å; F297-L300 PolarHBondContact O-N 3.28Å; F297-H301 AromaticContact CD2-CD2 3.45Å; F297-H301 VanDerWaalsContact CD2-CD2 3.45Å; F297-H301 WeakPolarHBondContact CD2-CD2 3.31Å; F297-H301 AromaticContact CD2-NE2 3.86Å; F297-H301 AromaticContact CE2-CD2 3.49Å; F297-H301 VanDerWaalsContact CE2-CD2 3.49Å; F297-H301 WeakPolarHBondContact CE2-CD2 3.41Å; F297-H301 AromaticContact CE2-NE2 3.82Å; F297-H301 AromaticContact CG-CD2 3.93Å; F297-H301 WeakPolarHBondContact O-CB 3.44Å; F297-H301 PolarHBondContact O-CD2 2.97Å; F297-H301 PolarHBondContact O-N 3.41Å; F297-L321 HydrophobicContact CE2-CD2 4.33Å; F297-L321 HydrophobicContact CZ-CB 4.1Å; F297-L321 HydrophobicContact CZ-CD1 4.04Å; F297-L321 HydrophobicContact CZ-CD2 4.27Å; F297-L321 HydrophobicContact CZ-CG 4.38Å; F297-R337 HydrophobicContact CD1-CB 3.76Å; F297-R337 HydrophobicContact CE1-CB 3.87Å; F297-R337 WeakPolarHBondContact CE1-O 3.33Å; F297-R337 HydrophobicContact CG-CB 4.1Å; F297-R337 HydrophobicContact CZ-CB 4.3Å; F297-L341 HydrophobicContact CE1-CB 3.93Å; F297-L341 HydrophobicContact CE1-CD2 3.79Å; F297-L341 HydrophobicContact CE1-CG 4.46Å; F297-L341 HydrophobicContact CZ-CD2 4.3Å |
| 298 | I | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 177.7 | -70.1 | 168.5 | 0 | 0 | 0 | 110.7 | T266 L294 S295 I296 L300 H301 R302 L341 Y344 | T266-I298 HydrophobicContact CG2-CD1 3.79Å; L294-I298 HydrophobicContact CD1-CD1 3.82Å; L294-I298 HydrophobicContact CD1-CG1 4.2Å; L294-I298 HydrophobicContact CG-CD1 4.09Å; L294-I298 WeakPolarHBondContact O-CG1 3.47Å; L294-I298 PolarHBondContact O-N 3.09Å; S295-I298 PolarHBondContact O-N 3.35Å; I296-I298 PolarHBondContact O-N 3.18Å; I298-L300 PolarHBondContact O-N 2.97Å; I298-H301 PolarHBondContact O-N 3.34Å; I298-R302 HydrophobicContact CG2-CB 4.43Å; I298-R302 WeakPolarHBondContact O-CB 3.33Å; I298-R302 VanDerWaalsContact O-CG 3.31Å; I298-R302 WeakPolarHBondContact O-CG 3.32Å; I298-R302 PolarHBondContact O-N 3.08Å; I298-L341 HydrophobicContact CG1-CD1 4.39Å; I298-L341 HydrophobicContact CG2-CD1 4.49Å; I298-Y344 HydrophobicContact CG2-CD1 4.4Å; I298-Y344 HydrophobicContact CG2-CD2 3.59Å; I298-Y344 HydrophobicContact CG2-CE1 4.49Å; I298-Y344 HydrophobicContact CG2-CE2 3.68Å; I298-Y344 HydrophobicContact CG2-CG 3.98Å |
| 299 | V | 96.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -38 | -179.8 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | L272 V278 S295 I296 | L272-V299 HydrophobicContact CB-CG2 4.22Å; V278-V299 HydrophobicContact CG2-CG2 3.98Å; S295-V299 WeakPolarHBondContact O-CG2 3.37Å; S295-V299 PolarHBondContact O-N 3.23Å; I296-V299 PolarHBondContact O-N 3.23Å |
| 300 | L | 95.4 | Very high | 94.7 | Very high | 80 Ų | 80 | 59.2 Ų | 59.2 | 42% | 0.419 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.8 | -32.5 | 179.7 | -77.9 | 177.6 | 0 | 0 | 0 | 114.7 | E275 I296 F297 I298 | E275-L300 HydrophobicContact CG-CD2 3.99Å; E275-L300 HydrophobicContact CG-CG 4.08Å; E275-L300 WeakPolarHBondContact OE1-CD2 3.24Å; I296-L300 HydrophobicContact CG2-CD1 3.73Å; I296-L300 HydrophobicContact CG2-CG 4.3Å; I296-L300 WeakPolarHBondContact O-CB 3.47Å; I296-L300 VanDerWaalsContact O-CG 3.32Å; I296-L300 WeakPolarHBondContact O-CG 3.27Å; I296-L300 PolarHBondContact O-N 3.42Å; F297-L300 PolarHBondContact O-N 3.28Å; I298-L300 PolarHBondContact O-N 2.97Å |
| 301 | H | 95.7 | Very high | 94.4 | Very high | 48 Ų | 48 | 60.7 Ų | 60.7 | 22% | 0.222 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -111.9 | -12.1 | -169 | -66.9 | -69.2 | 0 | 0 | 0 | 114.4 | F297 I298 D303 E304 A305 L341 | F297-H301 AromaticContact CD2-CD2 3.45Å; F297-H301 VanDerWaalsContact CD2-CD2 3.45Å; F297-H301 WeakPolarHBondContact CD2-CD2 3.31Å; F297-H301 AromaticContact CD2-NE2 3.86Å; F297-H301 AromaticContact CE2-CD2 3.49Å; F297-H301 VanDerWaalsContact CE2-CD2 3.49Å; F297-H301 WeakPolarHBondContact CE2-CD2 3.41Å; F297-H301 AromaticContact CE2-NE2 3.82Å; F297-H301 AromaticContact CG-CD2 3.93Å; F297-H301 WeakPolarHBondContact O-CB 3.44Å; F297-H301 PolarHBondContact O-CD2 2.97Å; F297-H301 PolarHBondContact O-N 3.41Å; I298-H301 PolarHBondContact O-N 3.34Å; H301-D303 PolarHBondContact O-N 3.14Å; H301-E304 PolarHBondContact O-N 3.23Å; H301-A305 VanDerWaalsContact O-CB 3.29Å; H301-A305 WeakPolarHBondContact O-CB 3.46Å; H301-A305 PolarHBondContact O-N 3.17Å; H301-L341 HydrophobicContact CB-CD2 3.63Å |
| 302 | R | 95.8 | Very high | 94 | Very high | 17 Ų | 17 | 65.6 Ų | 65.6 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.6 | -41.9 | -175.5 | 63.3 | 179.7 | -175.8 | -163 | -0.6 | 114.5 | S269 L272 I298 A305 I306 L341 Y344 | S269-R302 PolarHBondContact O-NH1 3.2Å; L272-R302 VanDerWaalsContact O-CZ 3.25Å; L272-R302 PolarHBondContact O-NH1 3.31Å; L272-R302 PolarHBondContact O-NH2 2.84Å; I298-R302 HydrophobicContact CG2-CB 4.43Å; I298-R302 WeakPolarHBondContact O-CB 3.33Å; I298-R302 VanDerWaalsContact O-CG 3.31Å; I298-R302 WeakPolarHBondContact O-CG 3.32Å; I298-R302 PolarHBondContact O-N 3.08Å; R302-A305 PolarHBondContact O-N 2.97Å; R302-I306 VanDerWaalsContact O-CG1 3.27Å; R302-I306 WeakPolarHBondContact O-CG1 3.43Å; R302-I306 PolarHBondContact O-N 2.85Å; R302-L341 HydrophobicContact CB-CD1 4.32Å; R302-Y344 HydrophobicContact CB-CD1 4.12Å; R302-Y344 HydrophobicContact CB-CE1 3.64Å; R302-Y344 VanDerWaalsContact CD-OH 3.31Å; R302-Y344 WeakPolarHBondContact CD-OH 3.48Å; R302-Y344 HydrophobicContact CG-CE1 4.45Å |
| 303 | D | 94.5 | Very high | 93.7 | Very high | 115 Ų | 115 | 64.3 Ų | 64.3 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.9 | -43.4 | -175.7 | -65.3 | -19.5 | 0 | 0 | 0 | 110 | H301 I306 M307 | H301-D303 PolarHBondContact O-N 3.14Å; D303-I306 PolarHBondContact O-N 3.09Å; D303-M307 WeakPolarHBondContact O-CG 3.23Å; D303-M307 PolarHBondContact O-N 3.13Å |
| 304 | E | 94.1 | Very high | 93.5 | Very high | 90 Ų | 90 | 62 Ų | 62 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 174.4 | -173 | 175.2 | -160.1 | 0 | 0 | 110.7 | H301 I306 M307 R309 Y317 | H301-E304 PolarHBondContact O-N 3.23Å; E304-I306 VanDerWaalsContact C-N 3.27Å; E304-I306 PolarHBondContact O-N 2.92Å; E304-M307 WeakPolarHBondContact O-CB 3.41Å; E304-M307 PolarHBondContact O-N 2.77Å; E304-M307 VanDerWaalsContact O-N 3.11Å; E304-R309 PolarHBondContact O-NH1 3.21Å; E304-R309 PolarHBondContact O-NH2 3.15Å; E304-Y317 WeakPolarHBondContact CB-OH 3.04Å; E304-Y317 HydrophobicContact CG-CE2 3.7Å; E304-Y317 WeakPolarHBondContact CG-OH 3.26Å; E304-Y317 WeakPolarHBondContact OE1-CE2 3.4Å; E304-Y317 WeakPolarHBondContact OE2-CE2 3.35Å; E304-Y317 PolarHBondContact OE2-OH 2.89Å |
| 305 | A | 94.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60 | -32.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H301 R302 Y317 F318 L341 I345 | H301-A305 VanDerWaalsContact O-CB 3.29Å; H301-A305 WeakPolarHBondContact O-CB 3.46Å; H301-A305 PolarHBondContact O-N 3.17Å; R302-A305 PolarHBondContact O-N 2.97Å; A305-Y317 HydrophobicContact CB-CE1 4.29Å; A305-F318 HydrophobicContact CB-CE1 4.4Å; A305-F318 HydrophobicContact CB-CZ 3.86Å; A305-L341 HydrophobicContact CB-CD1 4.12Å; A305-L341 HydrophobicContact CB-CD2 3.91Å; A305-L341 HydrophobicContact CB-CG 3.93Å; A305-I345 HydrophobicContact CB-CG2 4.02Å |
| 306 | I | 92.5 | Very high | 93 | Very high | 81 Ų | 81 | 68.5 Ų | 68.5 | 42% | 0.415 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -78.5 | -20.3 | 178.7 | -66.1 | 165.9 | 0 | 0 | 0 | 112.2 | R302 D303 E304 I345 | R302-I306 VanDerWaalsContact O-CG1 3.27Å; R302-I306 WeakPolarHBondContact O-CG1 3.43Å; R302-I306 PolarHBondContact O-N 2.85Å; D303-I306 PolarHBondContact O-N 3.09Å; E304-I306 VanDerWaalsContact C-N 3.27Å; E304-I306 PolarHBondContact O-N 2.92Å; I306-I345 HydrophobicContact CD1-CG2 4.43Å; I306-I345 HydrophobicContact CG1-CB 4.38Å; I306-I345 HydrophobicContact CG1-CG2 3.58Å |
| 307 | M | 92.1 | Very high | 92.9 | Very high | 113 Ų | 113 | 68.7 Ų | 68.7 | 56% | 0.557 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -58.2 | 132.7 | -176.4 | -62.4 | -173.7 | 80.6 | 0 | 0 | 111.4 | D303 E304 R309 | D303-M307 WeakPolarHBondContact O-CG 3.23Å; D303-M307 PolarHBondContact O-N 3.13Å; E304-M307 WeakPolarHBondContact O-CB 3.41Å; E304-M307 PolarHBondContact O-N 2.77Å; E304-M307 VanDerWaalsContact O-N 3.11Å; M307-R309 PolarHBondContact O-N 3.1Å; M307-R309 PolarHBondContact O-NH1 3.03Å |
| 308 | P | 87.5 | Confident | 92.7 | Very high | 131 Ų | 131 | 67.7 Ų | 67.7 | 85% | 0.851 | 34% | 0.335 | S | S | * | . | trans | -63.3 | 131.5 | 178.5 | 25.8 | -33 | 0 | 0 | 0 | 110.2 | ||||
| 309 | R | 90.2 | Very high | 92.5 | Very high | 73 Ų | 73 | 69.5 Ų | 69.5 | 28% | 0.275 | 34% | 0.343 | S | S | . | . | trans | -140 | 155.2 | 177.5 | -66.9 | 178.8 | -172.6 | 78.4 | 2.9 | 109.3 | E304 M307 A313 N314 | E304-R309 PolarHBondContact O-NH1 3.21Å; E304-R309 PolarHBondContact O-NH2 3.15Å; M307-R309 PolarHBondContact O-N 3.1Å; M307-R309 PolarHBondContact O-NH1 3.03Å; R309-A313 HydrophobicContact CB-CB 4.28Å; R309-N314 HydrophobicContact CB-CB 4.22Å | ||
| 310 | E | 91 | Very high | 92.3 | Very high | 160 Ų | 160 | 72.8 Ų | 72.8 | 75% | 0.748 | 35% | 0.354 | S | S | * | . | trans | -55.1 | 145.7 | 161.1 | -65.1 | -66.9 | 161.9 | 0 | 0 | 109.9 | E312 A313 N314 | E310-E312 PolarHBondContact O-N 3.15Å; E310-A313 HydrophobicContact CB-CB 4.33Å; E310-A313 WeakPolarHBondContact O-CA 3.22Å; E310-A313 WeakPolarHBondContact O-CB 3.23Å; E310-A313 PolarHBondContact O-N 3.14Å; E310-N314 PolarHBondContact O-N 2.99Å | ||
| 311 | E | 87.6 | Confident | 92.1 | Very high | 146 Ų | 146 | 70.1 Ų | 70.1 | 68% | 0.682 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -52.7 | -51.4 | -172.2 | -172.8 | 176.5 | 176.1 | 0 | 0 | 112.7 | A313 N314 E315 | E311-A313 VanDerWaalsContact C-N 3.28Å; E311-A313 PolarHBondContact O-N 3.16Å; E311-N314 VanDerWaalsContact O-CB 3.31Å; E311-N314 WeakPolarHBondContact O-CB 3.49Å; E311-N314 PolarHBondContact O-N 2.89Å; E311-N314 VanDerWaalsContact O-N 3.08Å; E311-E315 PolarHBondContact O-N 2.82Å |
| 312 | E | 88.6 | Confident | 91.9 | Very high | 128 Ų | 128 | 67.9 Ų | 67.9 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.4 | -35.3 | 178 | -55 | -179.4 | 171.8 | 0 | 0 | 112.7 | E310 N314 R316 | E310-E312 PolarHBondContact O-N 3.15Å; E312-N314 VanDerWaalsContact C-N 3.3Å; E312-R316 VanDerWaalsContact CB-NH1 3.31Å; E312-R316 WeakPolarHBondContact O-CB 3.39Å; E312-R316 VanDerWaalsContact O-CG 3.23Å; E312-R316 WeakPolarHBondContact O-CG 3.49Å; E312-R316 PolarHBondContact O-N 2.97Å; E312-R316 PolarHBondContact O-NE 3.25Å; E312-R316 IonicContact OE2-NH1 3.43Å; E312-R316 PolarHBondContact OE2-NH1 3.14Å; E312-R316 VanDerWaalsContact OE2-NH1 3.14Å |
| 313 | A | 91 | Very high | 91.6 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 24% | 0.24 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.8 | -33.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R309 E310 E311 Y317 | R309-A313 HydrophobicContact CB-CB 4.28Å; E310-A313 HydrophobicContact CB-CB 4.33Å; E310-A313 WeakPolarHBondContact O-CA 3.22Å; E310-A313 WeakPolarHBondContact O-CB 3.23Å; E310-A313 PolarHBondContact O-N 3.14Å; E311-A313 VanDerWaalsContact C-N 3.28Å; E311-A313 PolarHBondContact O-N 3.16Å; A313-Y317 WeakPolarHBondContact O-CB 3.37Å; A313-Y317 PolarHBondContact O-N 3.06Å |
| 314 | N | 91.1 | Very high | 90.9 | Very high | 24 Ų | 24 | 65 Ų | 65 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -47.8 | 174.1 | -157.9 | 27.8 | 0 | 0 | 0 | 111 | R309 E310 E311 E312 R316 Y317 F318 | R309-N314 HydrophobicContact CB-CB 4.22Å; E310-N314 PolarHBondContact O-N 2.99Å; E311-N314 VanDerWaalsContact O-CB 3.31Å; E311-N314 WeakPolarHBondContact O-CB 3.49Å; E311-N314 PolarHBondContact O-N 2.89Å; E311-N314 VanDerWaalsContact O-N 3.08Å; E312-N314 VanDerWaalsContact C-N 3.3Å; N314-R316 VanDerWaalsContact C-N 3.35Å; N314-R316 PolarHBondContact O-N 2.53Å; N314-Y317 WeakPolarHBondContact O-CB 3.31Å; N314-Y317 PolarHBondContact O-N 3.48Å; N314-Y317 VanDerWaalsContact O-N 3.14Å; N314-F318 WeakPolarHBondContact O-CD2 3.46Å; N314-F318 PolarHBondContact O-N 3.3Å; N314-F318 VanDerWaalsContact O-N 3.14Å; N314-F318 WeakPolarHBondContact OD1-CE2 3.31Å |
| 315 | E | 92.2 | Very high | 90 | Very high | 64 Ų | 64 | 65 Ų | 65 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 176.2 | -169.1 | -165.8 | 174.9 | 0 | 0 | 111.6 | E311 Y317 F318 K319 L350 | E311-E315 PolarHBondContact O-N 2.82Å; E315-Y317 VanDerWaalsContact C-N 3.33Å; E315-Y317 PolarHBondContact O-N 3.33Å; E315-F318 PolarHBondContact O-N 3.08Å; E315-K319 HydrophobicContact CG-CD 4.18Å; E315-K319 WeakPolarHBondContact O-CB 3.22Å; E315-K319 WeakPolarHBondContact O-CG 3.44Å; E315-K319 PolarHBondContact O-N 3.32Å; E315-K319 WeakPolarHBondContact OE1-CE 3.36Å; E315-K319 IonicContact OE1-NZ 3.12Å; E315-K319 PolarHBondContact OE1-NZ 3.38Å; E315-L350 HydrophobicContact CB-CD1 4.17Å; E315-L350 HydrophobicContact CG-CD1 3.93Å |
| 316 | R | 91.8 | Very high | 89.1 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 174.8 | -75.1 | -175.9 | -62.6 | -102.9 | 9.2 | 112.2 | E312 N314 K319 R320 D395 | E312-R316 VanDerWaalsContact CB-NH1 3.31Å; E312-R316 WeakPolarHBondContact O-CB 3.39Å; E312-R316 VanDerWaalsContact O-CG 3.23Å; E312-R316 WeakPolarHBondContact O-CG 3.49Å; E312-R316 PolarHBondContact O-N 2.97Å; E312-R316 PolarHBondContact O-NE 3.25Å; E312-R316 IonicContact OE2-NH1 3.43Å; E312-R316 PolarHBondContact OE2-NH1 3.14Å; E312-R316 VanDerWaalsContact OE2-NH1 3.14Å; N314-R316 VanDerWaalsContact C-N 3.35Å; N314-R316 PolarHBondContact O-N 2.53Å; R316-K319 PolarHBondContact O-N 3.22Å; R316-R320 WeakPolarHBondContact O-CG 3.5Å; R316-R320 PolarHBondContact O-N 3.42Å; R316-D395 WeakPolarHBondContact CD-OD1 3.5Å; R316-D395 WeakPolarHBondContact CD-OD2 3.38Å; R316-D395 WeakPolarHBondContact CG-OD1 3.42Å |
| 317 | Y | 93.2 | Very high | 88.4 | Confident | 27 Ų | 27 | 67.3 Ų | 67.3 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.2 | -52.2 | 178.8 | 173.4 | -103.4 | 0 | 0 | 0 | 111.6 | E304 A305 A313 N314 E315 K319 R320 L321 | E304-Y317 WeakPolarHBondContact CB-OH 3.04Å; E304-Y317 HydrophobicContact CG-CE2 3.7Å; E304-Y317 WeakPolarHBondContact CG-OH 3.26Å; E304-Y317 WeakPolarHBondContact OE1-CE2 3.4Å; E304-Y317 WeakPolarHBondContact OE2-CE2 3.35Å; E304-Y317 PolarHBondContact OE2-OH 2.89Å; A305-Y317 HydrophobicContact CB-CE1 4.29Å; A313-Y317 WeakPolarHBondContact O-CB 3.37Å; A313-Y317 PolarHBondContact O-N 3.06Å; N314-Y317 WeakPolarHBondContact O-CB 3.31Å; N314-Y317 PolarHBondContact O-N 3.48Å; N314-Y317 VanDerWaalsContact O-N 3.14Å; E315-Y317 VanDerWaalsContact C-N 3.33Å; E315-Y317 PolarHBondContact O-N 3.33Å; Y317-K319 PolarHBondContact O-N 3.43Å; Y317-R320 WeakPolarHBondContact O-CB 3.03Å; Y317-R320 PolarHBondContact O-N 3.28Å; Y317-L321 HydrophobicContact CD1-CD1 4.17Å; Y317-L321 HydrophobicContact CE1-CD1 3.54Å; Y317-L321 HydrophobicContact CE1-CG 4.31Å; Y317-L321 PolarHBondContact O-N 2.93Å; Y317-L321 VanDerWaalsContact O-N 3.17Å |
| 318 | F | 94.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.4 | -36.7 | -178.6 | -78.4 | -80.4 | 0 | 0 | 0 | 113.2 | A305 N314 E315 R320 L321 C322 L341 L342 I345 L350 L354 | A305-F318 HydrophobicContact CB-CE1 4.4Å; A305-F318 HydrophobicContact CB-CZ 3.86Å; N314-F318 WeakPolarHBondContact O-CD2 3.46Å; N314-F318 PolarHBondContact O-N 3.3Å; N314-F318 VanDerWaalsContact O-N 3.14Å; N314-F318 WeakPolarHBondContact OD1-CE2 3.31Å; E315-F318 PolarHBondContact O-N 3.08Å; F318-R320 VanDerWaalsContact C-N 3.28Å; F318-R320 PolarHBondContact O-N 2.99Å; F318-L321 HydrophobicContact CD1-CD1 4.11Å; F318-L321 HydrophobicContact CE1-CD1 4.41Å; F318-L321 WeakPolarHBondContact O-CB 3.25Å; F318-L321 PolarHBondContact O-N 2.67Å; F318-C322 PolarHBondContact O-N 2.9Å; F318-L341 HydrophobicContact CE1-CB 4.29Å; F318-L341 HydrophobicContact CE1-CD2 3.95Å; F318-L341 HydrophobicContact CE1-CG 3.97Å; F318-L342 HydrophobicContact CB-CD1 4.35Å; F318-L342 HydrophobicContact CD1-CD1 3.89Å; F318-L342 HydrophobicContact CD1-CD2 3.68Å; F318-L342 HydrophobicContact CD1-CG 3.5Å; F318-L342 VanDerWaalsContact CD1-CG 3.5Å; F318-L342 HydrophobicContact CD2-CD2 3.65Å; F318-L342 HydrophobicContact CD2-CG 4.38Å; F318-L342 HydrophobicContact CE1-CD1 4.37Å; F318-L342 HydrophobicContact CE1-CD2 3.49Å; F318-L342 VanDerWaalsContact CE1-CD2 3.49Å; F318-L342 HydrophobicContact CE1-CG 3.47Å; F318-L342 VanDerWaalsContact CE1-CG 3.47Å; F318-L342 HydrophobicContact CE2-CD2 3.46Å; F318-L342 VanDerWaalsContact CE2-CD2 3.46Å; F318-L342 HydrophobicContact CE2-CG 4.36Å; F318-L342 HydrophobicContact CG-CD1 4.08Å; F318-L342 HydrophobicContact CG-CD2 3.75Å; F318-L342 HydrophobicContact CG-CG 3.97Å; F318-L342 HydrophobicContact CZ-CD2 3.37Å; F318-L342 HydrophobicContact CZ-CG 3.93Å; F318-I345 HydrophobicContact CE2-CD1 4.24Å; F318-I345 HydrophobicContact CZ-CD1 3.78Å; F318-L350 HydrophobicContact CB-CD2 4.5Å; F318-L350 HydrophobicContact CD2-CD2 3.57Å; F318-L350 HydrophobicContact CE2-CD2 4.12Å; F318-L350 HydrophobicContact CG-CD2 4.25Å; F318-L354 HydrophobicContact CB-CD2 4.31Å |
| 319 | K | 93.4 | Very high | 87.5 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 172 | -75.5 | 176.9 | 171.6 | 174.9 | 0 | 112.3 | E315 R316 Y317 C322 F323 L354 W357 F396 | E315-K319 HydrophobicContact CG-CD 4.18Å; E315-K319 WeakPolarHBondContact O-CB 3.22Å; E315-K319 WeakPolarHBondContact O-CG 3.44Å; E315-K319 PolarHBondContact O-N 3.32Å; E315-K319 WeakPolarHBondContact OE1-CE 3.36Å; E315-K319 IonicContact OE1-NZ 3.12Å; E315-K319 PolarHBondContact OE1-NZ 3.38Å; R316-K319 PolarHBondContact O-N 3.22Å; Y317-K319 PolarHBondContact O-N 3.43Å; K319-C322 WeakPolarHBondContact O-CB 3.39Å; K319-C322 PolarHBondContact O-N 3.44Å; K319-F323 WeakPolarHBondContact O-CD2 3.32Å; K319-F323 WeakPolarHBondContact O-CE2 3.48Å; K319-L354 HydrophobicContact CG-CD1 3.92Å; K319-W357 HydrophobicContact CB-CH2 4Å; K319-W357 HydrophobicContact CB-CZ2 4.3Å; K319-W357 HydrophobicContact CB-CZ3 4.22Å; K319-W357 HydrophobicContact CD-CD2 4.22Å; K319-W357 HydrophobicContact CD-CH2 4.47Å; K319-W357 HydrophobicContact CD-CZ2 3.98Å; K319-W357 HydrophobicContact CG-CD2 4.08Å; K319-W357 HydrophobicContact CG-CE3 4.08Å; K319-W357 HydrophobicContact CG-CH2 4.07Å; K319-W357 HydrophobicContact CG-CZ2 4.07Å; K319-W357 HydrophobicContact CG-CZ3 4.07Å; K319-F396 HydrophobicContact CB-CE2 4.24Å |
| 320 | R | 91.5 | Very high | 86.9 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67 | -35.6 | 176 | -70.8 | 171.5 | -173.2 | -162.2 | 0.9 | 112.2 | R316 Y317 F318 C322 F323 R392 D393 D395 | R316-R320 WeakPolarHBondContact O-CG 3.5Å; R316-R320 PolarHBondContact O-N 3.42Å; Y317-R320 WeakPolarHBondContact O-CB 3.03Å; Y317-R320 PolarHBondContact O-N 3.28Å; F318-R320 VanDerWaalsContact C-N 3.28Å; F318-R320 PolarHBondContact O-N 2.99Å; R320-C322 PolarHBondContact O-N 3.09Å; R320-F323 PolarHBondContact O-N 3.43Å; R320-F323 VanDerWaalsContact O-N 3.14Å; R320-R392 HydrophobicContact CG-CG 3.96Å; R320-D393 PolarHBondContact NH2-O 3.4Å; R320-D393 VanDerWaalsContact NH2-O 3.09Å; R320-D395 IonicContact CZ-OD1 3.79Å; R320-D395 IonicContact NE-OD1 3.03Å; R320-D395 IonicContact NH2-OD1 3.14Å; R320-D395 PolarHBondContact NH2-OD1 2.74Å |
| 321 | L | 91.9 | Very high | 86.6 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -20.3 | 176.4 | -70.4 | 179.5 | 0 | 0 | 0 | 113.8 | F297 Y317 F318 F323 A338 L341 | F297-L321 HydrophobicContact CE2-CD2 4.33Å; F297-L321 HydrophobicContact CZ-CB 4.1Å; F297-L321 HydrophobicContact CZ-CD1 4.04Å; F297-L321 HydrophobicContact CZ-CD2 4.27Å; F297-L321 HydrophobicContact CZ-CG 4.38Å; Y317-L321 HydrophobicContact CD1-CD1 4.17Å; Y317-L321 HydrophobicContact CE1-CD1 3.54Å; Y317-L321 HydrophobicContact CE1-CG 4.31Å; Y317-L321 PolarHBondContact O-N 2.93Å; Y317-L321 VanDerWaalsContact O-N 3.17Å; F318-L321 HydrophobicContact CD1-CD1 4.11Å; F318-L321 HydrophobicContact CE1-CD1 4.41Å; F318-L321 WeakPolarHBondContact O-CB 3.25Å; F318-L321 PolarHBondContact O-N 2.67Å; L321-F323 PolarHBondContact O-N 2.87Å; L321-A338 HydrophobicContact CB-CB 4.14Å; L321-L341 HydrophobicContact CD1-CD2 3.77Å |
| 322 | C | 92 | Very high | 86.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.8 | 173.7 | -63.4 | 0 | 0 | 0 | 0 | 113.7 | F318 K319 R320 A330 S334 K335 W357 | F318-C322 PolarHBondContact O-N 2.9Å; K319-C322 WeakPolarHBondContact O-CB 3.39Å; K319-C322 PolarHBondContact O-N 3.44Å; R320-C322 PolarHBondContact O-N 3.09Å; C322-A330 HydrophobicContact CB-CB 4.28Å; C322-A330 WeakPolarHBondContact O-CA 3.4Å; C322-A330 WeakPolarHBondContact O-CB 3.25Å; C322-S334 WeakPolarHBondContact O-CB 3.23Å; C322-K335 HydrophobicContact CB-CB 4.5Å; C322-W357 HydrophobicContact CB-CZ3 4.19Å |
| 323 | F | 88.7 | Confident | 86.6 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -112.7 | 112.6 | -179.5 | -58.8 | -94.3 | 0 | 0 | 0 | 110.5 | K319 R320 L321 A330 W357 P359 F388 W391 F396 | K319-F323 WeakPolarHBondContact O-CD2 3.32Å; K319-F323 WeakPolarHBondContact O-CE2 3.48Å; R320-F323 PolarHBondContact O-N 3.43Å; R320-F323 VanDerWaalsContact O-N 3.14Å; L321-F323 PolarHBondContact O-N 2.87Å; F323-A330 HydrophobicContact CD1-CB 3.87Å; F323-A330 VanDerWaalsContact CD1-N 3.25Å; F323-A330 HydrophobicContact CE1-CB 3.71Å; F323-A330 VanDerWaalsContact CE1-N 3.35Å; F323-A330 HydrophobicContact CE2-CB 4.44Å; F323-A330 HydrophobicContact CG-CB 4.37Å; F323-A330 HydrophobicContact CZ-CB 4.01Å; F323-W357 AromaticContact CE2-CH2 3.85Å; F323-W357 HydrophobicContact CE2-CH2 3.85Å; F323-W357 HydrophobicContact CE2-CZ3 4.45Å; F323-W357 HydrophobicContact CZ-CH2 4.12Å; F323-P359 HydrophobicContact CZ-CB 4.01Å; F323-F388 HydrophobicContact CB-CE1 4.22Å; F323-F388 HydrophobicContact CB-CZ 3.78Å; F323-F388 AromaticContact CD1-CE2 3.86Å; F323-F388 HydrophobicContact CD1-CE2 3.86Å; F323-F388 AromaticContact CD1-CZ 3.39Å; F323-F388 HydrophobicContact CD1-CZ 3.39Å; F323-F388 HydrophobicContact CE1-CE2 4.21Å; F323-F388 HydrophobicContact CE1-CZ 4.14Å; F323-F388 AromaticContact CG-CZ 3.76Å; F323-F388 HydrophobicContact CG-CZ 3.76Å; F323-W391 HydrophobicContact CE1-CZ3 4.43Å; F323-F396 HydrophobicContact CD2-CE1 4Å; F323-F396 AromaticContact CD2-CZ 3.93Å; F323-F396 HydrophobicContact CD2-CZ 3.93Å; F323-F396 HydrophobicContact CE1-CE1 4.3Å; F323-F396 HydrophobicContact CE2-CD1 4.42Å; F323-F396 AromaticContact CE2-CE1 3.33Å; F323-F396 HydrophobicContact CE2-CE1 3.33Å; F323-F396 HydrophobicContact CE2-CE2 4.22Å; F323-F396 AromaticContact CE2-CZ 3.22Å; F323-F396 HydrophobicContact CE2-CZ 3.22Å; F323-F396 HydrophobicContact CZ-CD1 4.22Å; F323-F396 AromaticContact CZ-CE1 3.49Å; F323-F396 HydrophobicContact CZ-CE1 3.49Å; F323-F396 VanDerWaalsContact CZ-CE1 3.49Å; F323-F396 AromaticContact CZ-CZ 3.8Å; F323-F396 HydrophobicContact CZ-CZ 3.8Å |
| 324 | E | 80.1 | Confident | 86.6 | Confident | 65 Ų | 65 | 51 Ų | 51 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | trans | -66.9 | 150.2 | 177.5 | -60 | -169 | 171.6 | 0 | 0 | 111.2 | F326 M327 S334 R337 | E324-F326 PolarHBondContact O-N 3.32Å; E324-M327 HydrophobicContact CB-CB 4.21Å; E324-M327 HydrophobicContact CB-CG 3.92Å; E324-M327 PolarHBondContact O-N 3.23Å; E324-M327 VanDerWaalsContact O-N 3.16Å; E324-S334 WeakPolarHBondContact CG-OG 3.34Å; E324-S334 PolarHBondContact OE1-OG 3.33Å; E324-R337 IonicContact OE1-CZ 2.64Å; E324-R337 IonicContact OE1-NH1 3.16Å; E324-R337 PolarHBondContact OE1-NH1 3.1Å; E324-R337 IonicContact OE1-NH2 3.13Å; E324-R337 PolarHBondContact OE1-NH2 3.26Å | ||
| 325 | P | 75 | Confident | 86.7 | Confident | 89 Ų | 89 | 51.5 Ų | 51.5 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 137.4 | 166.8 | -24.5 | 34.2 | 0 | 0 | 0 | 110.7 | M327 | P325-M327 PolarHBondContact O-N 2.8Š|
| 326 | F | 74.5 | Confident | 86.8 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 2.4 | 178.6 | -43.6 | -76.3 | 0 | 0 | 0 | 116.1 | E324 L385 Y420 L427 | E324-F326 PolarHBondContact O-N 3.32Å; F326-L385 HydrophobicContact CD1-CD2 3.47Å; F326-L385 VanDerWaalsContact CD1-CD2 3.47Å; F326-L385 HydrophobicContact CE1-CD2 3.85Å; F326-L385 HydrophobicContact CG-CD2 4.47Å; F326-Y420 AromaticContact CD1-CE2 3.57Å; F326-Y420 HydrophobicContact CD1-CE2 3.57Å; F326-Y420 HydrophobicContact CE1-CD2 4.19Å; F326-Y420 AromaticContact CE1-CE2 3.54Å; F326-Y420 HydrophobicContact CE1-CE2 3.54Å; F326-L427 HydrophobicContact CE2-CD1 4.24Å; F326-L427 HydrophobicContact CE2-CD2 3.83Å; F326-L427 HydrophobicContact CZ-CD1 4.49Å |
| 327 | M | 77.9 | Confident | 87.1 | Confident | 65 Ų | 65 | 50 Ų | 50 | 32% | 0.32 | 24% | 0.242 | S | C | . | . | trans | -106.4 | 130 | 174.8 | -63.1 | -65.1 | -78.7 | 0 | 0 | 110 | E324 P325 K329 E331 F388 | E324-M327 HydrophobicContact CB-CB 4.21Å; E324-M327 HydrophobicContact CB-CG 3.92Å; E324-M327 PolarHBondContact O-N 3.23Å; E324-M327 VanDerWaalsContact O-N 3.16Å; P325-M327 PolarHBondContact O-N 2.8Å; M327-K329 PolarHBondContact O-N 2.82Å; M327-E331 HydrophobicContact CE-CG 4.01Å; M327-E331 VanDerWaalsContact CE-OE1 3.25Å; M327-E331 WeakPolarHBondContact CE-OE1 3.43Å; M327-F388 WeakPolarHBondContact O-CE1 3.38Å | ||
| 328 | L | 80.4 | Confident | 87.2 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -86.7 | 9.7 | -178.1 | -54.6 | 177 | 0 | 0 | 0 | 113.2 | F362 L384 L385 F388 | L328-F362 HydrophobicContact CB-CD1 4.15Å; L328-F362 HydrophobicContact CD1-CD1 4.49Å; L328-F362 WeakPolarHBondContact O-CB 3.46Å; L328-L384 HydrophobicContact CD1-CB 3.87Å; L328-L384 HydrophobicContact CD1-CD1 4.19Å; L328-L384 HydrophobicContact CD2-CB 4.29Å; L328-L385 HydrophobicContact CD2-CD1 4.45Å; L328-F388 HydrophobicContact CB-CD2 4.32Å; L328-F388 HydrophobicContact CD2-CB 3.57Å; L328-F388 HydrophobicContact CD2-CD2 4.34Å; L328-F388 HydrophobicContact CD2-CG 3.89Å; L328-F388 WeakPolarHBondContact O-CE2 3.23Å |
| 329 | K | 81.4 | Confident | 87.3 | Confident | 118 Ų | 118 | 49.4 Ų | 49.4 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -149.7 | 154.8 | -179.4 | 67.7 | 179.5 | -168.8 | 171.4 | 0 | 109.6 | M327 E331 | M327-K329 PolarHBondContact O-N 2.82Å; K329-E331 WeakPolarHBondContact CE-OE1 3.38Å; K329-E331 IonicContact NZ-OE1 2.65Å; K329-E331 PolarHBondContact NZ-OE1 3.01Å |
| 330 | A | 77.2 | Confident | 87.6 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | trans | -71.3 | 133.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | C322 F323 P359 | C322-A330 HydrophobicContact CB-CB 4.28Å; C322-A330 WeakPolarHBondContact O-CA 3.4Å; C322-A330 WeakPolarHBondContact O-CB 3.25Å; F323-A330 HydrophobicContact CD1-CB 3.87Å; F323-A330 VanDerWaalsContact CD1-N 3.25Å; F323-A330 HydrophobicContact CE1-CB 3.71Å; F323-A330 VanDerWaalsContact CE1-N 3.35Å; F323-A330 HydrophobicContact CE2-CB 4.44Å; F323-A330 HydrophobicContact CG-CB 4.37Å; F323-A330 HydrophobicContact CZ-CB 4.01Å; A330-P359 HydrophobicContact CB-CB 3.46Å; A330-P359 VanDerWaalsContact CB-CB 3.46Å; A330-P359 HydrophobicContact CB-CG 3.62Å | ||
| 331 | E | 85.3 | Confident | 87.8 | Confident | 57 Ų | 57 | 44 Ų | 44 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | trans | -95.2 | 147.6 | 169.5 | -67.7 | -67.5 | 165.1 | 0 | 0 | 108.8 | M327 K329 T333 S334 K335 | M327-E331 HydrophobicContact CE-CG 4.01Å; M327-E331 VanDerWaalsContact CE-OE1 3.25Å; M327-E331 WeakPolarHBondContact CE-OE1 3.43Å; K329-E331 WeakPolarHBondContact CE-OE1 3.38Å; K329-E331 IonicContact NZ-OE1 2.65Å; K329-E331 PolarHBondContact NZ-OE1 3.01Å; E331-T333 PolarHBondContact O-N 2.75Å; E331-S334 WeakPolarHBondContact O-CB 3.43Å; E331-S334 PolarHBondContact O-N 3.25Å; E331-K335 PolarHBondContact O-N 2.79Å; E331-K335 VanDerWaalsContact O-N 3.15Å | ||
| 332 | H | 86.6 | Confident | 88.1 | Confident | 131 Ų | 131 | 42.9 Ų | 42.9 | 61% | 0.606 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -53.5 | -42.2 | 177 | 176.9 | -95.2 | 0 | 0 | 0 | 111.6 | S334 K335 Q336 | H332-S334 VanDerWaalsContact C-N 3.34Å; H332-S334 PolarHBondContact O-N 3.25Å; H332-K335 PolarHBondContact O-N 3.05Å; H332-Q336 PolarHBondContact CE1-NE2 3.04Å; H332-Q336 PolarHBondContact CE1-OE1 2.69Å; H332-Q336 PolarHBondContact ND1-OE1 2.99Å; H332-Q336 VanDerWaalsContact ND1-OE1 3.16Å; H332-Q336 WeakPolarHBondContact O-CG 3.37Å; H332-Q336 PolarHBondContact O-N 3.25Å |
| 333 | T | 89.4 | Confident | 88.4 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 31% | 0.307 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.8 | -35.5 | 178.2 | 49.9 | 0 | 0 | 0 | 0 | 113 | E331 Q336 R337 | E331-T333 PolarHBondContact O-N 2.75Å; T333-Q336 PolarHBondContact O-N 2.94Å; T333-R337 WeakPolarHBondContact O-CG 3.19Å; T333-R337 PolarHBondContact O-N 3.22Å |
| 334 | S | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.7 | -42.9 | 177 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | C322 E324 E331 H332 Q336 R337 A338 | C322-S334 WeakPolarHBondContact O-CB 3.23Å; E324-S334 WeakPolarHBondContact CG-OG 3.34Å; E324-S334 PolarHBondContact OE1-OG 3.33Å; E331-S334 WeakPolarHBondContact O-CB 3.43Å; E331-S334 PolarHBondContact O-N 3.25Å; H332-S334 VanDerWaalsContact C-N 3.34Å; H332-S334 PolarHBondContact O-N 3.25Å; S334-Q336 VanDerWaalsContact C-N 3.35Å; S334-R337 PolarHBondContact O-N 3.12Å; S334-R337 PolarHBondContact OG-NH2 3.41Å; S334-A338 PolarHBondContact O-N 2.96Å |
| 335 | K | 93.7 | Very high | 89.6 | Confident | 36 Ų | 36 | 42.9 Ų | 42.9 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 173.1 | -177.4 | -177.4 | 174.4 | 177.7 | 0 | 111.1 | C322 E331 H332 R337 A338 C339 L354 E355 W357 | C322-K335 HydrophobicContact CB-CB 4.5Å; E331-K335 PolarHBondContact O-N 2.79Å; E331-K335 VanDerWaalsContact O-N 3.15Å; H332-K335 PolarHBondContact O-N 3.05Å; K335-R337 VanDerWaalsContact C-N 3.34Å; K335-R337 PolarHBondContact O-N 3.37Å; K335-A338 PolarHBondContact O-N 3.22Å; K335-C339 PolarHBondContact O-N 3.21Å; K335-C339 PolarHBondContact O-SG 3.21Å; K335-C339 VanDerWaalsContact O-SG 3.39Å; K335-L354 WeakPolarHBondContact CE-O 3.5Å; K335-L354 PolarHBondContact NZ-O 3.09Å; K335-L354 VanDerWaalsContact NZ-O 3.15Å; K335-E355 WeakPolarHBondContact CE-O 3.08Å; K335-E355 PolarHBondContact NZ-O 3.02Å; K335-W357 PolarHBondContact NZ-O 3.39Å |
| 336 | Q | 94.6 | Very high | 90.5 | Very high | 83 Ų | 83 | 39.9 Ų | 39.9 | 39% | 0.388 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57 | -44.8 | 175.6 | -74.1 | 179.9 | -51.9 | 0 | 0 | 112.3 | H332 T333 S334 A338 C339 E340 | H332-Q336 PolarHBondContact CE1-NE2 3.04Å; H332-Q336 PolarHBondContact CE1-OE1 2.69Å; H332-Q336 PolarHBondContact ND1-OE1 2.99Å; H332-Q336 VanDerWaalsContact ND1-OE1 3.16Å; H332-Q336 WeakPolarHBondContact O-CG 3.37Å; H332-Q336 PolarHBondContact O-N 3.25Å; T333-Q336 PolarHBondContact O-N 2.94Å; S334-Q336 VanDerWaalsContact C-N 3.35Å; Q336-A338 VanDerWaalsContact C-N 3.35Å; Q336-A338 PolarHBondContact O-N 3.25Å; Q336-C339 WeakPolarHBondContact O-CB 3.31Å; Q336-C339 PolarHBondContact O-N 2.97Å; Q336-E340 WeakPolarHBondContact O-CG 3.44Å; Q336-E340 PolarHBondContact O-N 3.4Å |
| 337 | R | 96.3 | Very high | 91.5 | Very high | 29 Ų | 29 | 38.8 Ų | 38.8 | 11% | 0.109 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 176.7 | -70.4 | -175.3 | -56.5 | -118.6 | -2.5 | 112.8 | I293 L294 F297 E324 T333 S334 K335 E340 L341 | I293-R337 VanDerWaalsContact CG2-NH1 3.26Å; L294-R337 HydrophobicContact CB-CG 4.42Å; L294-R337 HydrophobicContact CD1-CB 4.23Å; L294-R337 HydrophobicContact CD1-CG 3.88Å; F297-R337 HydrophobicContact CD1-CB 3.76Å; F297-R337 HydrophobicContact CE1-CB 3.87Å; F297-R337 WeakPolarHBondContact CE1-O 3.33Å; F297-R337 HydrophobicContact CG-CB 4.1Å; F297-R337 HydrophobicContact CZ-CB 4.3Å; E324-R337 IonicContact OE1-CZ 2.64Å; E324-R337 IonicContact OE1-NH1 3.16Å; E324-R337 PolarHBondContact OE1-NH1 3.1Å; E324-R337 IonicContact OE1-NH2 3.13Å; E324-R337 PolarHBondContact OE1-NH2 3.26Å; T333-R337 WeakPolarHBondContact O-CG 3.19Å; T333-R337 PolarHBondContact O-N 3.22Å; S334-R337 PolarHBondContact O-N 3.12Å; S334-R337 PolarHBondContact OG-NH2 3.41Å; K335-R337 VanDerWaalsContact C-N 3.34Å; K335-R337 PolarHBondContact O-N 3.37Å; R337-E340 PolarHBondContact O-N 2.86Å; R337-L341 WeakPolarHBondContact O-CB 3.38Å; R337-L341 PolarHBondContact O-N 2.89Å |
| 338 | A | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L321 S334 K335 Q336 L341 L342 L354 | L321-A338 HydrophobicContact CB-CB 4.14Å; S334-A338 PolarHBondContact O-N 2.96Å; K335-A338 PolarHBondContact O-N 3.22Å; Q336-A338 VanDerWaalsContact C-N 3.35Å; Q336-A338 PolarHBondContact O-N 3.25Å; A338-L341 PolarHBondContact O-N 3.3Å; A338-L342 WeakPolarHBondContact O-CG 3.41Å; A338-L342 PolarHBondContact O-N 3.07Å; A338-L354 HydrophobicContact CB-CD2 3.64Å |
| 339 | C | 96.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 9% | 0.088 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 171.2 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | K335 Q336 L341 L342 K343 | K335-C339 PolarHBondContact O-N 3.21Å; K335-C339 PolarHBondContact O-SG 3.21Å; K335-C339 VanDerWaalsContact O-SG 3.39Å; Q336-C339 WeakPolarHBondContact O-CB 3.31Å; Q336-C339 PolarHBondContact O-N 2.97Å; C339-L341 VanDerWaalsContact C-N 3.29Å; C339-L341 PolarHBondContact O-N 3.19Å; C339-L342 WeakPolarHBondContact O-CB 3.49Å; C339-L342 PolarHBondContact O-N 3.41Å; C339-L342 VanDerWaalsContact O-N 3.1Å; C339-K343 WeakPolarHBondContact O-CG 3.28Å; C339-K343 PolarHBondContact O-N 2.71Å |
| 340 | E | 97.7 | Very high | 93.5 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -34.7 | 176.9 | -73.3 | -54.4 | 119.1 | 0 | 0 | 112.6 | E263 T266 L294 Q336 R337 K343 Y344 | E263-E340 HydrophobicContact CG-CG 4.36Å; E263-E340 PolarHBondContact N-OE2 3.04Å; T266-E340 WeakPolarHBondContact CB-OE2 3.31Å; T266-E340 HydrophobicContact CG2-CB 4.36Å; T266-E340 WeakPolarHBondContact CG2-O 3.45Å; T266-E340 PolarHBondContact OG1-OE2 2.91Å; L294-E340 HydrophobicContact CD1-CB 3.68Å; L294-E340 HydrophobicContact CD1-CG 4.08Å; L294-E340 HydrophobicContact CD2-CG 4.3Å; Q336-E340 WeakPolarHBondContact O-CG 3.44Å; Q336-E340 PolarHBondContact O-N 3.4Å; R337-E340 PolarHBondContact O-N 2.86Å; E340-K343 WeakPolarHBondContact O-CB 3.33Å; E340-K343 PolarHBondContact O-N 3.28Å; E340-K343 WeakPolarHBondContact OE1-CD 3.29Å; E340-K343 VanDerWaalsContact OE1-CE 3.3Å; E340-K343 WeakPolarHBondContact OE1-CE 3.24Å; E340-K343 IonicContact OE1-NZ 2.69Å; E340-K343 PolarHBondContact OE1-NZ 2.93Å; E340-Y344 WeakPolarHBondContact O-CB 3.31Å; E340-Y344 PolarHBondContact O-N 3.04Å |
| 341 | L | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.9 | -36.5 | 172.4 | -175.8 | 62.1 | 0 | 0 | 0 | 112.3 | F297 I298 H301 R302 A305 F318 L321 R337 A338 C339 Y344 I345 | F297-L341 HydrophobicContact CE1-CB 3.93Å; F297-L341 HydrophobicContact CE1-CD2 3.79Å; F297-L341 HydrophobicContact CE1-CG 4.46Å; F297-L341 HydrophobicContact CZ-CD2 4.3Å; I298-L341 HydrophobicContact CG1-CD1 4.39Å; I298-L341 HydrophobicContact CG2-CD1 4.49Å; H301-L341 HydrophobicContact CB-CD2 3.63Å; R302-L341 HydrophobicContact CB-CD1 4.32Å; A305-L341 HydrophobicContact CB-CD1 4.12Å; A305-L341 HydrophobicContact CB-CD2 3.91Å; A305-L341 HydrophobicContact CB-CG 3.93Å; F318-L341 HydrophobicContact CE1-CB 4.29Å; F318-L341 HydrophobicContact CE1-CD2 3.95Å; F318-L341 HydrophobicContact CE1-CG 3.97Å; L321-L341 HydrophobicContact CD1-CD2 3.77Å; R337-L341 WeakPolarHBondContact O-CB 3.38Å; R337-L341 PolarHBondContact O-N 2.89Å; A338-L341 PolarHBondContact O-N 3.3Å; C339-L341 VanDerWaalsContact C-N 3.29Å; C339-L341 PolarHBondContact O-N 3.19Å; L341-Y344 WeakPolarHBondContact O-CB 3.1Å; L341-Y344 PolarHBondContact O-N 3.46Å; L341-I345 PolarHBondContact O-N 3.36Å; L341-I345 VanDerWaalsContact O-N 3.09Å |
| 342 | L | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 172 | -73.7 | 162.8 | 0 | 0 | 0 | 111.6 | F318 A338 C339 Y344 I345 G346 N347 L350 A351 L354 | F318-L342 HydrophobicContact CB-CD1 4.35Å; F318-L342 HydrophobicContact CD1-CD1 3.89Å; F318-L342 HydrophobicContact CD1-CD2 3.68Å; F318-L342 HydrophobicContact CD1-CG 3.5Å; F318-L342 VanDerWaalsContact CD1-CG 3.5Å; F318-L342 HydrophobicContact CD2-CD2 3.65Å; F318-L342 HydrophobicContact CD2-CG 4.38Å; F318-L342 HydrophobicContact CE1-CD1 4.37Å; F318-L342 HydrophobicContact CE1-CD2 3.49Å; F318-L342 VanDerWaalsContact CE1-CD2 3.49Å; F318-L342 HydrophobicContact CE1-CG 3.47Å; F318-L342 VanDerWaalsContact CE1-CG 3.47Å; F318-L342 HydrophobicContact CE2-CD2 3.46Å; F318-L342 VanDerWaalsContact CE2-CD2 3.46Å; F318-L342 HydrophobicContact CE2-CG 4.36Å; F318-L342 HydrophobicContact CG-CD1 4.08Å; F318-L342 HydrophobicContact CG-CD2 3.75Å; F318-L342 HydrophobicContact CG-CG 3.97Å; F318-L342 HydrophobicContact CZ-CD2 3.37Å; F318-L342 HydrophobicContact CZ-CG 3.93Å; A338-L342 WeakPolarHBondContact O-CG 3.41Å; A338-L342 PolarHBondContact O-N 3.07Å; C339-L342 WeakPolarHBondContact O-CB 3.49Å; C339-L342 PolarHBondContact O-N 3.41Å; C339-L342 VanDerWaalsContact O-N 3.1Å; L342-Y344 VanDerWaalsContact C-N 3.33Å; L342-I345 HydrophobicContact CD2-CD1 4.32Å; L342-I345 VanDerWaalsContact O-CG1 3.26Å; L342-I345 WeakPolarHBondContact O-CG1 3.39Å; L342-I345 PolarHBondContact O-N 2.65Å; L342-G346 PolarHBondContact O-N 3.38Å; L342-N347 HydrophobicContact CD2-CB 4.1Å; L342-N347 PolarHBondContact O-N 3Å; L342-L350 HydrophobicContact CD1-CB 4.46Å; L342-L350 HydrophobicContact CD1-CG 3.96Å; L342-L350 HydrophobicContact CD2-CB 3.94Å; L342-L350 HydrophobicContact CD2-CD2 3.63Å; L342-L350 HydrophobicContact CD2-CG 3.69Å; L342-A351 HydrophobicContact CB-CB 3.85Å; L342-A351 HydrophobicContact CD1-CB 4.44Å; L342-L354 HydrophobicContact CD1-CB 4Å; L342-L354 HydrophobicContact CD1-CD2 3.64Å; L342-L354 HydrophobicContact CD1-CG 4.46Å |
| 343 | K | 97.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 37 Ų | 37 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 172.2 | -60.1 | -178.7 | -175.2 | 171.5 | 0 | 111.6 | S257 L260 K261 P262 C339 E340 I345 G346 | S257-K343 VanDerWaalsContact CB-O 3.25Å; S257-K343 WeakPolarHBondContact CB-O 3.21Å; L260-K343 HydrophobicContact CB-CB 4.13Å; L260-K343 HydrophobicContact CB-CD 4.27Å; L260-K343 HydrophobicContact CB-CG 3.92Å; L260-K343 HydrophobicContact CD1-CB 4.25Å; L260-K343 HydrophobicContact CD1-CG 4.44Å; L260-K343 WeakPolarHBondContact O-CD 3.45Å; L260-K343 VanDerWaalsContact O-CE 3.3Å; L260-K343 WeakPolarHBondContact O-CE 3.34Å; K261-K343 PolarHBondContact O-NZ 2.81Å; P262-K343 HydrophobicContact CB-CB 4.32Å; P262-K343 HydrophobicContact CB-CD 4.4Å; C339-K343 WeakPolarHBondContact O-CG 3.28Å; C339-K343 PolarHBondContact O-N 2.71Å; E340-K343 WeakPolarHBondContact O-CB 3.33Å; E340-K343 PolarHBondContact O-N 3.28Å; E340-K343 WeakPolarHBondContact OE1-CD 3.29Å; E340-K343 VanDerWaalsContact OE1-CE 3.3Å; E340-K343 WeakPolarHBondContact OE1-CE 3.24Å; E340-K343 IonicContact OE1-NZ 2.69Å; E340-K343 PolarHBondContact OE1-NZ 2.93Å; K343-I345 VanDerWaalsContact C-N 3.27Å; K343-I345 PolarHBondContact O-N 2.72Å; K343-G346 PolarHBondContact O-N 2.93Å; K343-G346 VanDerWaalsContact O-N 3.07Å |
| 344 | Y | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56 | -42.2 | 176.8 | -179.8 | -86.9 | 0 | 0 | 0 | 111.3 | E249 V253 R256 T266 A270 I298 R302 E340 L341 L342 | E249-Y344 VanDerWaalsContact CG-OH 3.22Å; E249-Y344 WeakPolarHBondContact CG-OH 3.18Å; E249-Y344 PolarHBondContact OE1-OH 3.24Å; V253-Y344 HydrophobicContact CB-CE2 4.42Å; V253-Y344 HydrophobicContact CG1-CD2 3.82Å; V253-Y344 HydrophobicContact CG1-CE2 4.06Å; V253-Y344 HydrophobicContact CG1-CG 4.36Å; V253-Y344 HydrophobicContact CG2-CD1 4.36Å; V253-Y344 HydrophobicContact CG2-CD2 3.98Å; V253-Y344 HydrophobicContact CG2-CE1 3.94Å; V253-Y344 HydrophobicContact CG2-CE2 3.53Å; V253-Y344 HydrophobicContact CG2-CG 4.38Å; V253-Y344 VanDerWaalsContact CG2-CZ 3.5Å; R256-Y344 PolarHBondContact NE-O 2.75Å; R256-Y344 PolarHBondContact NH2-O 2.72Å; T266-Y344 HydrophobicContact CG2-CD2 4.34Å; T266-Y344 WeakPolarHBondContact O-CD2 3.34Å; A270-Y344 HydrophobicContact CB-CE2 3.76Å; I298-Y344 HydrophobicContact CG2-CD1 4.4Å; I298-Y344 HydrophobicContact CG2-CD2 3.59Å; I298-Y344 HydrophobicContact CG2-CE1 4.49Å; I298-Y344 HydrophobicContact CG2-CE2 3.68Å; I298-Y344 HydrophobicContact CG2-CG 3.98Å; R302-Y344 HydrophobicContact CB-CD1 4.12Å; R302-Y344 HydrophobicContact CB-CE1 3.64Å; R302-Y344 VanDerWaalsContact CD-OH 3.31Å; R302-Y344 WeakPolarHBondContact CD-OH 3.48Å; R302-Y344 HydrophobicContact CG-CE1 4.45Å; E340-Y344 WeakPolarHBondContact O-CB 3.31Å; E340-Y344 PolarHBondContact O-N 3.04Å; L341-Y344 WeakPolarHBondContact O-CB 3.1Å; L341-Y344 PolarHBondContact O-N 3.46Å; L342-Y344 VanDerWaalsContact C-N 3.33Å |
| 345 | I | 96.3 | Very high | 95.4 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -85.8 | -6.9 | 178.6 | 67.7 | 167.2 | 0 | 0 | 0 | 114.1 | R256 A305 I306 F318 L341 L342 K343 N347 | R256-I345 WeakPolarHBondContact CD-O 3.25Å; A305-I345 HydrophobicContact CB-CG2 4.02Å; I306-I345 HydrophobicContact CD1-CG2 4.43Å; I306-I345 HydrophobicContact CG1-CB 4.38Å; I306-I345 HydrophobicContact CG1-CG2 3.58Å; F318-I345 HydrophobicContact CE2-CD1 4.24Å; F318-I345 HydrophobicContact CZ-CD1 3.78Å; L341-I345 PolarHBondContact O-N 3.36Å; L341-I345 VanDerWaalsContact O-N 3.09Å; L342-I345 HydrophobicContact CD2-CD1 4.32Å; L342-I345 VanDerWaalsContact O-CG1 3.26Å; L342-I345 WeakPolarHBondContact O-CG1 3.39Å; L342-I345 PolarHBondContact O-N 2.65Å; K343-I345 VanDerWaalsContact C-N 3.27Å; K343-I345 PolarHBondContact O-N 2.72Å; I345-N347 HydrophobicContact CD1-CB 4.03Å; I345-N347 HydrophobicContact CG1-CB 4.04Å |
| 346 | G | 95.8 | Very high | 95.4 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 21.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | L342 K343 E348 | L342-G346 PolarHBondContact O-N 3.38Å; K343-G346 PolarHBondContact O-N 2.93Å; K343-G346 VanDerWaalsContact O-N 3.07Å; G346-E348 PolarHBondContact O-N 3.07Å |
| 347 | N | 94.4 | Very high | 95.4 | Very high | 45 Ų | 45 | 45.4 Ų | 45.4 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | trans | -91.6 | 89.3 | 178.9 | -169 | -27.8 | 0 | 0 | 0 | 110.9 | L342 I345 L350 A351 | L342-N347 HydrophobicContact CD2-CB 4.1Å; L342-N347 PolarHBondContact O-N 3Å; I345-N347 HydrophobicContact CD1-CB 4.03Å; I345-N347 HydrophobicContact CG1-CB 4.04Å; N347-L350 WeakPolarHBondContact OD1-CB 3.39Å; N347-L350 PolarHBondContact OD1-N 3.19Å; N347-L350 VanDerWaalsContact OD1-N 3.11Å; N347-A351 VanDerWaalsContact O-CB 3.27Å; N347-A351 WeakPolarHBondContact O-CB 3.25Å; N347-A351 PolarHBondContact O-N 3.23Å | ||
| 348 | E | 93.5 | Very high | 95.2 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65 | -44.2 | -176.6 | -173.4 | 165.2 | 166.7 | 0 | 0 | 113.6 | L260 G346 A351 K352 | L260-E348 HydrophobicContact CD2-CB 3.59Å; L260-E348 HydrophobicContact CD2-CG 3.46Å; L260-E348 VanDerWaalsContact CD2-CG 3.46Å; G346-E348 PolarHBondContact O-N 3.07Å; E348-A351 PolarHBondContact O-N 2.88Å; E348-K352 HydrophobicContact CG-CD 4.38Å; E348-K352 WeakPolarHBondContact O-CG 3.26Å; E348-K352 PolarHBondContact O-N 2.96Å; E348-K352 VanDerWaalsContact O-N 3.13Å; E348-K352 VanDerWaalsContact OE1-CE 3.26Å; E348-K352 WeakPolarHBondContact OE1-CE 3.47Å; E348-K352 IonicContact OE1-NZ 3.16Å; E348-K352 PolarHBondContact OE1-NZ 2.75Å |
| 349 | E | 93.8 | Very high | 95 | Very high | 128 Ų | 128 | 51.2 Ų | 51.2 | 60% | 0.598 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.5 | -55 | -174.6 | -178.2 | 165.7 | -149.7 | 0 | 0 | 110.3 | A351 K352 E353 | E349-A351 VanDerWaalsContact C-N 3.27Å; E349-A351 PolarHBondContact O-N 2.87Å; E349-K352 PolarHBondContact O-N 2.82Å; E349-K352 VanDerWaalsContact O-N 3.11Å; E349-E353 WeakPolarHBondContact O-CG 3.38Å; E349-E353 PolarHBondContact O-N 3.23Å |
| 350 | L | 94.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.8 | -29.8 | 179.8 | -174.5 | 54.6 | 0 | 0 | 0 | 112.2 | E315 F318 L342 N347 E353 L354 | E315-L350 HydrophobicContact CB-CD1 4.17Å; E315-L350 HydrophobicContact CG-CD1 3.93Å; F318-L350 HydrophobicContact CB-CD2 4.5Å; F318-L350 HydrophobicContact CD2-CD2 3.57Å; F318-L350 HydrophobicContact CE2-CD2 4.12Å; F318-L350 HydrophobicContact CG-CD2 4.25Å; L342-L350 HydrophobicContact CD1-CB 4.46Å; L342-L350 HydrophobicContact CD1-CG 3.96Å; L342-L350 HydrophobicContact CD2-CB 3.94Å; L342-L350 HydrophobicContact CD2-CD2 3.63Å; L342-L350 HydrophobicContact CD2-CG 3.69Å; N347-L350 WeakPolarHBondContact OD1-CB 3.39Å; N347-L350 PolarHBondContact OD1-N 3.19Å; N347-L350 VanDerWaalsContact OD1-N 3.11Å; L350-E353 HydrophobicContact CD1-CB 4.47Å; L350-L354 VanDerWaalsContact O-CB 3.23Å; L350-L354 WeakPolarHBondContact O-CB 3.43Å; L350-L354 PolarHBondContact O-N 2.83Å |
| 351 | A | 94.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L342 N347 E348 E349 E355 | L342-A351 HydrophobicContact CB-CB 3.85Å; L342-A351 HydrophobicContact CD1-CB 4.44Å; N347-A351 VanDerWaalsContact O-CB 3.27Å; N347-A351 WeakPolarHBondContact O-CB 3.25Å; N347-A351 PolarHBondContact O-N 3.23Å; E348-A351 PolarHBondContact O-N 2.88Å; E349-A351 VanDerWaalsContact C-N 3.27Å; E349-A351 PolarHBondContact O-N 2.87Å; A351-E355 VanDerWaalsContact O-CB 3.3Å; A351-E355 WeakPolarHBondContact O-CB 3.25Å; A351-E355 PolarHBondContact O-N 2.86Å |
| 352 | K | 94 | Very high | 94.3 | Very high | 105 Ų | 105 | 60 Ų | 60 | 46% | 0.457 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.3 | -43.6 | 177.4 | -70.7 | 174.4 | -175.1 | 169.2 | 0 | 111.7 | E348 E349 E355 Q356 | E348-K352 HydrophobicContact CG-CD 4.38Å; E348-K352 WeakPolarHBondContact O-CG 3.26Å; E348-K352 PolarHBondContact O-N 2.96Å; E348-K352 VanDerWaalsContact O-N 3.13Å; E348-K352 VanDerWaalsContact OE1-CE 3.26Å; E348-K352 WeakPolarHBondContact OE1-CE 3.47Å; E348-K352 IonicContact OE1-NZ 3.16Å; E348-K352 PolarHBondContact OE1-NZ 2.75Å; E349-K352 PolarHBondContact O-N 2.82Å; E349-K352 VanDerWaalsContact O-N 3.11Å; K352-E355 PolarHBondContact O-N 2.93Å; K352-Q356 WeakPolarHBondContact O-CG 3.46Å; K352-Q356 PolarHBondContact O-N 2.85Å |
| 353 | E | 94.6 | Very high | 94.1 | Very high | 81 Ų | 81 | 62 Ų | 62 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 176.7 | -70.6 | 179.6 | 167.1 | 0 | 0 | 111.5 | E349 L350 E355 Q356 W357 | E349-E353 WeakPolarHBondContact O-CG 3.38Å; E349-E353 PolarHBondContact O-N 3.23Å; L350-E353 HydrophobicContact CD1-CB 4.47Å; E353-E355 VanDerWaalsContact C-N 3.32Å; E353-E355 PolarHBondContact O-N 3.1Å; E353-Q356 PolarHBondContact O-N 2.84Å; E353-W357 WeakPolarHBondContact O-CB 3.24Å; E353-W357 PolarHBondContact O-N 3.05Å |
| 354 | L | 94.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 178.2 | -167.8 | 69.6 | 0 | 0 | 0 | 110.7 | F318 K319 K335 A338 L342 L350 Q356 W357 | F318-L354 HydrophobicContact CB-CD2 4.31Å; K319-L354 HydrophobicContact CG-CD1 3.92Å; K335-L354 WeakPolarHBondContact CE-O 3.5Å; K335-L354 PolarHBondContact NZ-O 3.09Å; K335-L354 VanDerWaalsContact NZ-O 3.15Å; A338-L354 HydrophobicContact CB-CD2 3.64Å; L342-L354 HydrophobicContact CD1-CB 4Å; L342-L354 HydrophobicContact CD1-CD2 3.64Å; L342-L354 HydrophobicContact CD1-CG 4.46Å; L350-L354 VanDerWaalsContact O-CB 3.23Å; L350-L354 WeakPolarHBondContact O-CB 3.43Å; L350-L354 PolarHBondContact O-N 2.83Å; L354-Q356 VanDerWaalsContact C-N 3.29Å; L354-Q356 PolarHBondContact O-N 2.97Å; L354-W357 HydrophobicContact CD1-CE3 4.01Å; L354-W357 PolarHBondContact O-N 2.91Å |
| 355 | E | 93.2 | Very high | 93.3 | Very high | 137 Ų | 137 | 68.9 Ų | 68.9 | 64% | 0.64 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.6 | -37.3 | 176.5 | -173.3 | 169.2 | -146.9 | 0 | 0 | 112.4 | K335 A351 K352 E353 | K335-E355 WeakPolarHBondContact CE-O 3.08Å; K335-E355 PolarHBondContact NZ-O 3.02Å; A351-E355 VanDerWaalsContact O-CB 3.3Å; A351-E355 WeakPolarHBondContact O-CB 3.25Å; A351-E355 PolarHBondContact O-N 2.86Å; K352-E355 PolarHBondContact O-N 2.93Å; E353-E355 VanDerWaalsContact C-N 3.32Å; E353-E355 PolarHBondContact O-N 3.1Å |
| 356 | Q | 93.8 | Very high | 92.8 | Very high | 160 Ų | 160 | 68.6 Ų | 68.6 | 75% | 0.748 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -80.8 | -26.6 | 176.4 | -67.3 | 179.1 | 5.9 | 0 | 0 | 113.7 | K352 E353 L354 V358 | K352-Q356 WeakPolarHBondContact O-CG 3.46Å; K352-Q356 PolarHBondContact O-N 2.85Å; E353-Q356 PolarHBondContact O-N 2.84Å; L354-Q356 VanDerWaalsContact C-N 3.29Å; L354-Q356 PolarHBondContact O-N 2.97Å; Q356-V358 PolarHBondContact O-N 3.05Å |
| 357 | W | 93.9 | Very high | 92.4 | Very high | 47 Ų | 47 | 73 Ų | 73 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | trans | -64 | 126.8 | -177.6 | 177.9 | 71.2 | 0 | 0 | 0 | 112.1 | K319 C322 F323 K335 E353 L354 P359 P360 F396 | K319-W357 HydrophobicContact CB-CH2 4Å; K319-W357 HydrophobicContact CB-CZ2 4.3Å; K319-W357 HydrophobicContact CB-CZ3 4.22Å; K319-W357 HydrophobicContact CD-CD2 4.22Å; K319-W357 HydrophobicContact CD-CH2 4.47Å; K319-W357 HydrophobicContact CD-CZ2 3.98Å; K319-W357 HydrophobicContact CG-CD2 4.08Å; K319-W357 HydrophobicContact CG-CE3 4.08Å; K319-W357 HydrophobicContact CG-CH2 4.07Å; K319-W357 HydrophobicContact CG-CZ2 4.07Å; K319-W357 HydrophobicContact CG-CZ3 4.07Å; C322-W357 HydrophobicContact CB-CZ3 4.19Å; F323-W357 AromaticContact CE2-CH2 3.85Å; F323-W357 HydrophobicContact CE2-CH2 3.85Å; F323-W357 HydrophobicContact CE2-CZ3 4.45Å; F323-W357 HydrophobicContact CZ-CH2 4.12Å; K335-W357 PolarHBondContact NZ-O 3.39Å; E353-W357 WeakPolarHBondContact O-CB 3.24Å; E353-W357 PolarHBondContact O-N 3.05Å; L354-W357 HydrophobicContact CD1-CE3 4.01Å; L354-W357 PolarHBondContact O-N 2.91Å; W357-P359 HydrophobicContact CE3-CB 4.33Å; W357-P359 HydrophobicContact CE3-CG 3.89Å; W357-P359 HydrophobicContact CH2-CB 3.76Å; W357-P359 HydrophobicContact CH2-CG 4.19Å; W357-P359 HydrophobicContact CZ2-CB 4.45Å; W357-P359 HydrophobicContact CZ3-CB 3.69Å; W357-P359 HydrophobicContact CZ3-CG 3.58Å; W357-P359 WeakPolarHBondContact O-CD 3.42Å; W357-P360 HydrophobicContact CZ2-CG 4.31Å; W357-F396 HydrophobicContact CH2-CE2 4.11Å; W357-F396 HydrophobicContact CH2-CZ 4.39Å; W357-F396 HydrophobicContact CZ2-CD2 4.26Å; W357-F396 HydrophobicContact CZ2-CE2 4.02Å | ||
| 358 | V | 92.6 | Very high | 92.1 | Very high | 119 Ų | 119 | 74.1 Ų | 74.1 | 72% | 0.721 | 37% | 0.374 | S | S | * | . | trans | -91.2 | 115.1 | 173.9 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | Q356 | Q356-V358 PolarHBondContact O-N 3.05Š| ||
| 359 | P | 91.8 | Very high | 91.8 | Very high | 32 Ų | 32 | 70.4 Ų | 70.4 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -60 | 131.8 | 178.2 | -21.1 | 31.5 | 0 | 0 | 0 | 110.9 | F323 A330 W357 | F323-P359 HydrophobicContact CZ-CB 4.01Å; A330-P359 HydrophobicContact CB-CB 3.46Å; A330-P359 VanDerWaalsContact CB-CB 3.46Å; A330-P359 HydrophobicContact CB-CG 3.62Å; W357-P359 HydrophobicContact CE3-CB 4.33Å; W357-P359 HydrophobicContact CE3-CG 3.89Å; W357-P359 HydrophobicContact CH2-CB 3.76Å; W357-P359 HydrophobicContact CH2-CG 4.19Å; W357-P359 HydrophobicContact CZ2-CB 4.45Å; W357-P359 HydrophobicContact CZ3-CB 3.69Å; W357-P359 HydrophobicContact CZ3-CG 3.58Å; W357-P359 WeakPolarHBondContact O-CD 3.42Å |
| 360 | P | 92 | Very high | 91.1 | Very high | 43 Ų | 43 | 69.3 Ų | 69.3 | 28% | 0.279 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 156.6 | 177.2 | 26.5 | -32 | 0 | 0 | 0 | 110.7 | W357 W391 F396 | W357-P360 HydrophobicContact CZ2-CG 4.31Å; P360-W391 HydrophobicContact CB-CH2 3.84Å; P360-W391 HydrophobicContact CB-CZ2 3.82Å; P360-W391 HydrophobicContact CG-CH2 3.69Å; P360-W391 HydrophobicContact CG-CZ2 3.88Å; P360-W391 WeakPolarHBondContact O-CH2 3.37Å; P360-F396 HydrophobicContact CB-CB 4.38Å; P360-F396 HydrophobicContact CG-CB 3.46Å; P360-F396 VanDerWaalsContact CG-CB 3.46Å; P360-F396 HydrophobicContact CG-CD1 3.95Å; P360-F396 HydrophobicContact CG-CD2 3.97Å; P360-F396 HydrophobicContact CG-CG 3.5Å |
| 361 | I | 91.2 | Very high | 90.4 | Very high | 149 Ų | 149 | 71.3 Ų | 71.3 | 76% | 0.764 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 130.6 | 177.8 | -60.4 | 173.4 | 0 | 0 | 0 | 108.4 | P363 | I361-P363 WeakPolarHBondContact O-CD 3.49Š|
| 362 | F | 93.4 | Very high | 89.4 | Confident | 15 Ų | 15 | 78.2 Ų | 78.2 | 7% | 0.066 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 121.6 | 174.3 | 178.3 | -124.6 | 0 | 0 | 0 | 110.2 | L328 V364 L384 L387 F388 W391 L403 | L328-F362 HydrophobicContact CB-CD1 4.15Å; L328-F362 HydrophobicContact CD1-CD1 4.49Å; L328-F362 WeakPolarHBondContact O-CB 3.46Å; F362-V364 WeakPolarHBondContact CD1-O 3.46Å; F362-V364 HydrophobicContact CE1-CB 3.78Å; F362-V364 VanDerWaalsContact CE1-O 3.25Å; F362-V364 WeakPolarHBondContact CE1-O 3.45Å; F362-V364 HydrophobicContact CE2-CB 4.24Å; F362-V364 HydrophobicContact CE2-CG2 4.33Å; F362-V364 HydrophobicContact CZ-CB 3.62Å; F362-V364 HydrophobicContact CZ-CG2 4.1Å; F362-V364 PolarHBondContact O-N 3.03Å; F362-L384 HydrophobicContact CE1-CD2 4.22Å; F362-L387 HydrophobicContact CE2-CB 4.44Å; F362-L387 HydrophobicContact CZ-CB 3.85Å; F362-F388 HydrophobicContact CB-CD2 3.94Å; F362-F388 HydrophobicContact CB-CE2 4.34Å; F362-F388 HydrophobicContact CD1-CD2 4.34Å; F362-F388 HydrophobicContact CD2-CB 4.2Å; F362-F388 AromaticContact CD2-CD2 3.76Å; F362-F388 HydrophobicContact CD2-CD2 3.76Å; F362-F388 HydrophobicContact CD2-CG 4.48Å; F362-F388 HydrophobicContact CE1-CB 4.26Å; F362-F388 VanDerWaalsContact CE2-CA 3.48Å; F362-F388 HydrophobicContact CE2-CB 3.94Å; F362-F388 HydrophobicContact CE2-CD2 4.35Å; F362-F388 AromaticContact CG-CD2 3.76Å; F362-F388 HydrophobicContact CG-CD2 3.76Å; F362-F388 HydrophobicContact CZ-CB 3.95Å; F362-W391 HydrophobicContact CB-CE3 4.19Å; F362-W391 HydrophobicContact CB-CH2 4.41Å; F362-W391 HydrophobicContact CB-CZ3 3.94Å; F362-W391 HydrophobicContact CD2-CB 4.18Å; F362-W391 AromaticContact CD2-CD2 3.84Å; F362-W391 HydrophobicContact CD2-CD2 3.84Å; F362-W391 AromaticContact CD2-CE3 3.62Å; F362-W391 HydrophobicContact CD2-CE3 3.62Å; F362-W391 HydrophobicContact CD2-CG 4.11Å; F362-W391 HydrophobicContact CD2-CZ3 4.24Å; F362-W391 HydrophobicContact CE2-CB 4.01Å; F362-W391 HydrophobicContact CE2-CG 4.35Å; F362-W391 HydrophobicContact CG-CE3 4.37Å; F362-L403 HydrophobicContact CE2-CD1 4.1Å |
| 363 | P | 92.7 | Very high | 88.7 | Confident | 40 Ų | 40 | 78 Ų | 78 | 26% | 0.26 | 40% | 0.397 | S | S | . | . | trans | -83.7 | -12.6 | -163.5 | 34.5 | -39 | 0 | 0 | 0 | 113.2 | I361 V400 L403 | I361-P363 WeakPolarHBondContact O-CD 3.49Å; P363-V400 HydrophobicContact CB-CG2 3.67Å; P363-V400 HydrophobicContact CG-CG2 4.25Å; P363-L403 HydrophobicContact CG-CD1 3.89Å | ||
| 364 | V | 91.6 | Very high | 87.9 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | trans | -94.3 | 131 | -177.9 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | F362 L384 L387 L403 L404 | F362-V364 WeakPolarHBondContact CD1-O 3.46Å; F362-V364 HydrophobicContact CE1-CB 3.78Å; F362-V364 VanDerWaalsContact CE1-O 3.25Å; F362-V364 WeakPolarHBondContact CE1-O 3.45Å; F362-V364 HydrophobicContact CE2-CB 4.24Å; F362-V364 HydrophobicContact CE2-CG2 4.33Å; F362-V364 HydrophobicContact CZ-CB 3.62Å; F362-V364 HydrophobicContact CZ-CG2 4.1Å; F362-V364 PolarHBondContact O-N 3.03Å; V364-L384 HydrophobicContact CG1-CD2 4.07Å; V364-L387 HydrophobicContact CG1-CD1 4Å; V364-L403 HydrophobicContact CG2-CB 3.85Å; V364-L403 HydrophobicContact CG2-CD1 3.68Å; V364-L403 HydrophobicContact CG2-CG 4.43Å; V364-L404 HydrophobicContact CG1-CD2 4.09Å | ||
| 365 | R | 88.5 | Confident | 86.8 | Confident | 182 Ų | 182 | 80.3 Ų | 80.3 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | trans | -110.2 | 152.2 | 171.9 | -61.3 | -177.8 | -177.8 | -174.3 | 0.8 | 110.4 | T367 M368 | R365-T367 PolarHBondContact O-N 2.75Å; R365-M368 HydrophobicContact CB-CE 4.23Å; R365-M368 HydrophobicContact CB-CG 4.31Å; R365-M368 HydrophobicContact CB-SD 4.24Å; R365-M368 HydrophobicContact CG-CE 4.12Å; R365-M368 PolarHBondContact N-SD 3.34Å; R365-M368 VanDerWaalsContact O-CB 3.32Å; R365-M368 WeakPolarHBondContact O-CB 3.45Å; R365-M368 PolarHBondContact O-N 2.92Å | ||
| 366 | G | 85.7 | Confident | 85.6 | Confident | 25 Ų | 25 | 81.3 Ų | 81.3 | 26% | 0.258 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -57.5 | -25.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M368 I369 | G366-M368 VanDerWaalsContact C-N 3.26Å; G366-M368 PolarHBondContact O-N 2.79Å; G366-I369 PolarHBondContact O-N 3.02Å |
| 367 | T | 86 | Confident | 84.5 | Confident | 119 Ų | 119 | 76.3 Ų | 76.3 | 73% | 0.73 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -68.7 | -20.8 | 174.7 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | R365 I369 | R365-T367 PolarHBondContact O-N 2.75Å; T367-I369 VanDerWaalsContact C-N 3.35Å |
| 368 | M | 89 | Confident | 83.8 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -80.8 | -18.4 | 180 | -59.6 | 170.9 | 176.1 | 0 | 0 | 112.2 | R365 G366 V370 V400 L404 | R365-M368 HydrophobicContact CB-CE 4.23Å; R365-M368 HydrophobicContact CB-CG 4.31Å; R365-M368 HydrophobicContact CB-SD 4.24Å; R365-M368 HydrophobicContact CG-CE 4.12Å; R365-M368 PolarHBondContact N-SD 3.34Å; R365-M368 VanDerWaalsContact O-CB 3.32Å; R365-M368 WeakPolarHBondContact O-CB 3.45Å; R365-M368 PolarHBondContact O-N 2.92Å; G366-M368 VanDerWaalsContact C-N 3.26Å; G366-M368 PolarHBondContact O-N 2.79Å; M368-V370 PolarHBondContact O-N 2.97Å; M368-V400 HydrophobicContact SD-CG1 4.12Å; M368-L404 HydrophobicContact CB-CD1 4.36Å; M368-L404 HydrophobicContact CB-CD2 4.48Å |
| 369 | I | 86.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -81.1 | 104.9 | 179.2 | -60.2 | 174.7 | 0 | 0 | 0 | 108.7 | G366 T367 Y374 R375 M380 V383 L384 L387 L404 L407 | G366-I369 PolarHBondContact O-N 3.02Å; T367-I369 VanDerWaalsContact C-N 3.35Å; I369-Y374 HydrophobicContact CG2-CD2 4.1Å; I369-R375 PolarHBondContact O-NE 3.37Å; I369-R375 PolarHBondContact O-NH2 3.46Å; I369-M380 HydrophobicContact CB-CE 4.12Å; I369-M380 HydrophobicContact CB-SD 4.3Å; I369-M380 HydrophobicContact CD1-SD 3.68Å; I369-M380 HydrophobicContact CG1-SD 4.45Å; I369-M380 HydrophobicContact CG2-CE 4.31Å; I369-V383 HydrophobicContact CD1-CG1 3.76Å; I369-L384 HydrophobicContact CD1-CD2 3.97Å; I369-L384 HydrophobicContact CD1-CG 4.35Å; I369-L387 HydrophobicContact CD1-CD1 4.27Å; I369-L404 HydrophobicContact CG1-CD2 4.24Å; I369-L407 HydrophobicContact CG1-CD1 4.41Å; I369-L407 HydrophobicContact CG2-CD1 4.27Å | ||
| 370 | V | 80.8 | Confident | 83.2 | Confident | 105 Ų | 105 | 72.3 Ų | 72.3 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | trans | -80.7 | -27.1 | -176.9 | -68.2 | 0 | 0 | 0 | 0 | 113.7 | M368 E372 R375 | M368-V370 PolarHBondContact O-N 2.97Å; V370-E372 PolarHBondContact O-N 2.91Å; V370-R375 PolarHBondContact O-NE 3.27Å | ||
| 371 | E | 78.8 | Confident | 82.9 | Confident | 52 Ų | 52 | 73.9 Ų | 73.9 | 24% | 0.243 | 39% | 0.387 | C | S | . | . | trans | -66.6 | 117 | -174 | -64.6 | 174.1 | -139.4 | 0 | 0 | 112.5 | K373 Y374 | E371-K373 HydrophobicContact CB-CG 4.27Å; E371-K373 PolarHBondContact O-N 3.26Å; E371-K373 VanDerWaalsContact O-N 3.15Å; E371-K373 WeakPolarHBondContact OE2-CE 3.44Å; E371-K373 IonicContact OE2-NZ 3.73Å; E371-K373 PolarHBondContact OE2-NZ 3.03Å; E371-Y374 HydrophobicContact CB-CD2 3.89Å; E371-Y374 HydrophobicContact CB-CE2 4.33Å; E371-Y374 PolarHBondContact O-N 3.07Å; E371-Y374 VanDerWaalsContact O-N 3.11Å; E371-Y374 WeakPolarHBondContact OE2-CE2 3.47Å | ||
| 372 | E | 73.7 | Confident | 82.7 | Confident | 154 Ų | 154 | 67 Ų | 67 | 72% | 0.72 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -59.3 | -30.7 | -176.1 | -69.8 | -155.5 | 151.2 | 0 | 0 | 113.7 | V370 Y374 R375 | V370-E372 PolarHBondContact O-N 2.91Å; E372-Y374 PolarHBondContact O-N 2.77Å; E372-Y374 VanDerWaalsContact O-N 3.11Å; E372-R375 PolarHBondContact O-N 3.41Å; E372-R375 VanDerWaalsContact O-N 3.17Å |
| 373 | K | 78.2 | Confident | 82.5 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 44% | 0.443 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -58.4 | -25.1 | 179 | 60.9 | 171.4 | 167.2 | 163.7 | 0 | 113 | E371 P413 | E371-K373 HydrophobicContact CB-CG 4.27Å; E371-K373 PolarHBondContact O-N 3.26Å; E371-K373 VanDerWaalsContact O-N 3.15Å; E371-K373 WeakPolarHBondContact OE2-CE 3.44Å; E371-K373 IonicContact OE2-NZ 3.73Å; E371-K373 PolarHBondContact OE2-NZ 3.03Å; K373-P413 HydrophobicContact CB-CG 4.19Å; K373-P413 HydrophobicContact CD-CG 4.5Å |
| 374 | Y | 78.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -98.8 | -14.4 | -178.8 | -59.2 | -48.1 | 0 | 0 | 0 | 114.2 | I369 E371 E372 K376 I379 M380 V383 L407 P413 L416 | I369-Y374 HydrophobicContact CG2-CD2 4.1Å; E371-Y374 HydrophobicContact CB-CD2 3.89Å; E371-Y374 HydrophobicContact CB-CE2 4.33Å; E371-Y374 PolarHBondContact O-N 3.07Å; E371-Y374 VanDerWaalsContact O-N 3.11Å; E371-Y374 WeakPolarHBondContact OE2-CE2 3.47Å; E372-Y374 PolarHBondContact O-N 2.77Å; E372-Y374 VanDerWaalsContact O-N 3.11Å; Y374-K376 VanDerWaalsContact C-N 3.26Å; Y374-K376 PolarHBondContact O-N 3.07Å; Y374-I379 HydrophobicContact CD1-CG2 3.77Å; Y374-M380 WeakPolarHBondContact O-CA 3.48Å; Y374-M380 PolarHBondContact O-N 2.92Å; Y374-V383 HydrophobicContact CD1-CG2 3.5Å; Y374-V383 HydrophobicContact CE1-CG2 3.98Å; Y374-V383 HydrophobicContact CG-CG2 3.83Å; Y374-L407 HydrophobicContact CD2-CD2 4.42Å; Y374-L407 HydrophobicContact CE2-CB 4.37Å; Y374-L407 HydrophobicContact CE2-CD2 4.21Å; Y374-L407 PolarHBondContact OH-O 3.16Å; Y374-P413 HydrophobicContact CD1-CG 4.11Å; Y374-P413 HydrophobicContact CE1-CG 3.95Å; Y374-L416 HydrophobicContact CE1-CD1 4.36Å |
| 375 | R | 70.5 | Confident | 82.1 | Confident | 130 Ų | 130 | 65.7 Ų | 65.7 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -73.9 | -9.3 | -174.8 | -70.2 | -179.1 | 171.5 | -175.8 | -7.9 | 114.8 | I369 V370 E372 M380 | I369-R375 PolarHBondContact O-NE 3.37Å; I369-R375 PolarHBondContact O-NH2 3.46Å; V370-R375 PolarHBondContact O-NE 3.27Å; E372-R375 PolarHBondContact O-N 3.41Å; E372-R375 VanDerWaalsContact O-N 3.17Å; R375-M380 HydrophobicContact CB-CE 4.48Å; R375-M380 HydrophobicContact CG-CE 3.98Å |
| 376 | K | 67.4 | Low | 82.2 | Confident | 158 Ų | 158 | 60 Ų | 60 | 69% | 0.687 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -95.5 | 112.1 | -173.6 | -69.8 | -176 | 179.8 | 175.4 | 0 | 113.9 | Y374 I379 R417 | Y374-K376 VanDerWaalsContact C-N 3.26Å; Y374-K376 PolarHBondContact O-N 3.07Å; K376-I379 WeakPolarHBondContact O-CD1 2.98Å; K376-I379 WeakPolarHBondContact O-CG1 3.06Å; K376-R417 PolarHBondContact O-NH2 3.45Å |
| 377 | G | 71 | Confident | 82.5 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -140.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I379 | G377-I379 PolarHBondContact O-N 3.4Š|
| 378 | P | 80.8 | Confident | 82.8 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -7.1 | -173.8 | 29.2 | -35.7 | 0 | 0 | 0 | 114.1 | M380 S381 I382 | P378-M380 PolarHBondContact O-N 2.79Å; P378-S381 PolarHBondContact O-N 2.75Å; P378-I382 WeakPolarHBondContact O-CG1 3.43Å; P378-I382 PolarHBondContact O-N 3.41Å |
| 379 | I | 85 | Confident | 82.8 | Confident | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | -178.8 | -62.5 | 166.2 | 0 | 0 | 0 | 110.4 | Y374 K376 G377 S381 I382 V383 P413 R417 | Y374-I379 HydrophobicContact CD1-CG2 3.77Å; K376-I379 WeakPolarHBondContact O-CD1 2.98Å; K376-I379 WeakPolarHBondContact O-CG1 3.06Å; G377-I379 PolarHBondContact O-N 3.4Å; I379-S381 VanDerWaalsContact C-N 3.27Å; I379-S381 PolarHBondContact O-N 2.94Å; I379-I382 WeakPolarHBondContact O-CA 3.47Å; I379-I382 WeakPolarHBondContact O-CB 3.38Å; I379-I382 PolarHBondContact O-N 3.22Å; I379-V383 HydrophobicContact CG2-CG2 3.98Å; I379-V383 WeakPolarHBondContact O-CG2 3.48Å; I379-V383 PolarHBondContact O-N 3.38Å; I379-P413 HydrophobicContact CD1-CB 3.67Å; I379-P413 HydrophobicContact CG1-CB 4.25Å; I379-P413 HydrophobicContact CG2-CB 4.06Å; I379-R417 HydrophobicContact CG1-CG 4.1Å |
| 380 | M | 86.6 | Confident | 83 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 15% | 0.148 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.1 | -46.3 | 179.3 | 179.4 | 62 | 67 | 0 | 0 | 111.6 | I369 Y374 R375 P378 I382 V383 L384 | I369-M380 HydrophobicContact CB-CE 4.12Å; I369-M380 HydrophobicContact CB-SD 4.3Å; I369-M380 HydrophobicContact CD1-SD 3.68Å; I369-M380 HydrophobicContact CG1-SD 4.45Å; I369-M380 HydrophobicContact CG2-CE 4.31Å; Y374-M380 WeakPolarHBondContact O-CA 3.48Å; Y374-M380 PolarHBondContact O-N 2.92Å; R375-M380 HydrophobicContact CB-CE 4.48Å; R375-M380 HydrophobicContact CG-CE 3.98Å; P378-M380 PolarHBondContact O-N 2.79Å; M380-I382 VanDerWaalsContact C-N 3.3Å; M380-I382 PolarHBondContact O-N 3.1Å; M380-V383 PolarHBondContact O-N 3.39Å; M380-L384 HydrophobicContact CG-CD1 4.14Å; M380-L384 WeakPolarHBondContact O-CB 3.25Å; M380-L384 WeakPolarHBondContact O-CG 3.35Å; M380-L384 PolarHBondContact O-N 3.32Å; M380-L384 HydrophobicContact SD-CD1 4.31Å; M380-L384 HydrophobicContact SD-CG 4.31Å |
| 381 | S | 84.5 | Confident | 83.6 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 52% | 0.524 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 178.3 | -54 | 0 | 0 | 0 | 0 | 112.7 | P378 I379 L385 | P378-S381 PolarHBondContact O-N 2.75Å; I379-S381 VanDerWaalsContact C-N 3.27Å; I379-S381 PolarHBondContact O-N 2.94Å; S381-L385 WeakPolarHBondContact O-CB 3.28Å; S381-L385 PolarHBondContact O-N 2.92Å; S381-L385 VanDerWaalsContact O-N 3.1Å |
| 382 | I | 86.6 | Confident | 84.1 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.8 | -43.4 | 177.4 | -60.8 | 164.9 | 0 | 0 | 0 | 110.5 | P378 I379 M380 L385 K386 L416 R417 Y420 | P378-I382 WeakPolarHBondContact O-CG1 3.43Å; P378-I382 PolarHBondContact O-N 3.41Å; I379-I382 WeakPolarHBondContact O-CA 3.47Å; I379-I382 WeakPolarHBondContact O-CB 3.38Å; I379-I382 PolarHBondContact O-N 3.22Å; M380-I382 VanDerWaalsContact C-N 3.3Å; M380-I382 PolarHBondContact O-N 3.1Å; I382-L385 WeakPolarHBondContact O-CB 3.33Å; I382-L385 PolarHBondContact O-N 3.36Å; I382-K386 WeakPolarHBondContact O-CG 3.36Å; I382-K386 PolarHBondContact O-N 3.36Å; I382-L416 HydrophobicContact CG2-CB 3.93Å; I382-L416 HydrophobicContact CG2-CD2 4.34Å; I382-R417 HydrophobicContact CD1-CG 4.08Å; I382-Y420 HydrophobicContact CD1-CD1 3.89Å; I382-Y420 HydrophobicContact CD1-CG 3.77Å; I382-Y420 HydrophobicContact CG1-CD1 3.84Å; I382-Y420 HydrophobicContact CG1-CD2 3.81Å; I382-Y420 HydrophobicContact CG1-CE1 4.33Å; I382-Y420 HydrophobicContact CG1-CE2 4.31Å; I382-Y420 HydrophobicContact CG1-CG 3.55Å; I382-Y420 HydrophobicContact CG2-CD2 4.46Å |
| 383 | V | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 177.5 | 173 | 0 | 0 | 0 | 0 | 110.4 | I369 Y374 I379 M380 L385 K386 L387 L407 L410 L416 | I369-V383 HydrophobicContact CD1-CG1 3.76Å; Y374-V383 HydrophobicContact CD1-CG2 3.5Å; Y374-V383 HydrophobicContact CE1-CG2 3.98Å; Y374-V383 HydrophobicContact CG-CG2 3.83Å; I379-V383 HydrophobicContact CG2-CG2 3.98Å; I379-V383 WeakPolarHBondContact O-CG2 3.48Å; I379-V383 PolarHBondContact O-N 3.38Å; M380-V383 PolarHBondContact O-N 3.39Å; V383-L385 PolarHBondContact O-N 3.42Å; V383-K386 PolarHBondContact O-N 3.01Å; V383-K386 VanDerWaalsContact O-N 3.11Å; V383-L387 HydrophobicContact CG1-CD1 4.33Å; V383-L387 HydrophobicContact CG1-CG 4.39Å; V383-L387 WeakPolarHBondContact O-CG 3.28Å; V383-L387 PolarHBondContact O-N 2.97Å; V383-L407 HydrophobicContact CG1-CD2 3.41Å; V383-L407 VanDerWaalsContact CG1-CD2 3.41Å; V383-L410 HydrophobicContact CG1-CD1 3.89Å; V383-L410 HydrophobicContact CG2-CD1 4.45Å; V383-L416 HydrophobicContact CG2-CD1 4.01Å |
| 384 | L | 89.7 | Confident | 85.3 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.5 | -38.1 | 175.6 | -72.6 | 171.7 | 0 | 0 | 0 | 112 | L328 F362 V364 I369 M380 F388 | L328-L384 HydrophobicContact CD1-CB 3.87Å; L328-L384 HydrophobicContact CD1-CD1 4.19Å; L328-L384 HydrophobicContact CD2-CB 4.29Å; F362-L384 HydrophobicContact CE1-CD2 4.22Å; V364-L384 HydrophobicContact CG1-CD2 4.07Å; I369-L384 HydrophobicContact CD1-CD2 3.97Å; I369-L384 HydrophobicContact CD1-CG 4.35Å; M380-L384 HydrophobicContact CG-CD1 4.14Å; M380-L384 WeakPolarHBondContact O-CB 3.25Å; M380-L384 WeakPolarHBondContact O-CG 3.35Å; M380-L384 PolarHBondContact O-N 3.32Å; M380-L384 HydrophobicContact SD-CD1 4.31Å; M380-L384 HydrophobicContact SD-CG 4.31Å; L384-F388 WeakPolarHBondContact O-CB 3.19Å; L384-F388 PolarHBondContact O-N 3.06Å |
| 385 | L | 88.1 | Confident | 85.8 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 176 | -174 | 65.1 | 0 | 0 | 0 | 112.5 | F326 L328 S381 I382 V383 F388 E389 Y420 | F326-L385 HydrophobicContact CD1-CD2 3.47Å; F326-L385 VanDerWaalsContact CD1-CD2 3.47Å; F326-L385 HydrophobicContact CE1-CD2 3.85Å; F326-L385 HydrophobicContact CG-CD2 4.47Å; L328-L385 HydrophobicContact CD2-CD1 4.45Å; S381-L385 WeakPolarHBondContact O-CB 3.28Å; S381-L385 PolarHBondContact O-N 2.92Å; S381-L385 VanDerWaalsContact O-N 3.1Å; I382-L385 WeakPolarHBondContact O-CB 3.33Å; I382-L385 PolarHBondContact O-N 3.36Å; V383-L385 PolarHBondContact O-N 3.42Å; L385-F388 WeakPolarHBondContact O-CB 3.44Å; L385-F388 PolarHBondContact O-N 2.82Å; L385-E389 WeakPolarHBondContact O-CG 3.31Å; L385-E389 PolarHBondContact O-N 3.08Å; L385-Y420 HydrophobicContact CD2-CD2 4.34Å; L385-Y420 HydrophobicContact CD2-CE2 3.9Å |
| 386 | K | 89.1 | Confident | 86.8 | Confident | 63 Ų | 63 | 43.1 Ų | 43.1 | 27% | 0.274 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.8 | -43 | 176.7 | -71 | -68.8 | -170.1 | 173.6 | 0 | 112 | I382 V383 F388 E389 K390 L410 L416 E419 | I382-K386 WeakPolarHBondContact O-CG 3.36Å; I382-K386 PolarHBondContact O-N 3.36Å; V383-K386 PolarHBondContact O-N 3.01Å; V383-K386 VanDerWaalsContact O-N 3.11Å; K386-F388 VanDerWaalsContact C-N 3.3Å; K386-F388 PolarHBondContact O-N 2.68Å; K386-E389 PolarHBondContact O-N 2.73Å; K386-K390 PolarHBondContact O-N 3.4Å; K386-L410 HydrophobicContact CB-CD2 3.82Å; K386-L410 HydrophobicContact CG-CD2 4.23Å; K386-L416 HydrophobicContact CG-CD2 4.17Å; K386-E419 IonicContact NZ-OE2 2.84Å; K386-E419 PolarHBondContact NZ-OE2 2.85Å; K386-E419 VanDerWaalsContact NZ-OE2 3.16Å |
| 387 | L | 92 | Very high | 88 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 173.9 | -68.2 | -174.7 | 0 | 0 | 0 | 111.3 | F362 V364 I369 V383 K390 W391 L403 S406 L407 | F362-L387 HydrophobicContact CE2-CB 4.44Å; F362-L387 HydrophobicContact CZ-CB 3.85Å; V364-L387 HydrophobicContact CG1-CD1 4Å; I369-L387 HydrophobicContact CD1-CD1 4.27Å; V383-L387 HydrophobicContact CG1-CD1 4.33Å; V383-L387 HydrophobicContact CG1-CG 4.39Å; V383-L387 WeakPolarHBondContact O-CG 3.28Å; V383-L387 PolarHBondContact O-N 2.97Å; L387-K390 PolarHBondContact O-N 3.33Å; L387-W391 WeakPolarHBondContact O-CB 2.98Å; L387-W391 PolarHBondContact O-N 2.83Å; L387-L403 WeakPolarHBondContact CD2-O 3.2Å; L387-L403 WeakPolarHBondContact O-CD2 3.45Å; L387-S406 WeakPolarHBondContact CD2-OG 3.3Å; L387-L407 HydrophobicContact CD1-CD2 3.93Å; L387-L407 HydrophobicContact CD2-CD2 4.08Å; L387-L407 HydrophobicContact CD2-CG 4.48Å; L387-L407 HydrophobicContact CG-CD2 4.24Å |
| 388 | F | 91.9 | Very high | 89 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.2 | 174.4 | -91.7 | 0 | 0 | 0 | 112.5 | F323 M327 L328 F362 L384 L385 K386 W391 R392 | F323-F388 HydrophobicContact CB-CE1 4.22Å; F323-F388 HydrophobicContact CB-CZ 3.78Å; F323-F388 AromaticContact CD1-CE2 3.86Å; F323-F388 HydrophobicContact CD1-CE2 3.86Å; F323-F388 AromaticContact CD1-CZ 3.39Å; F323-F388 HydrophobicContact CD1-CZ 3.39Å; F323-F388 HydrophobicContact CE1-CE2 4.21Å; F323-F388 HydrophobicContact CE1-CZ 4.14Å; F323-F388 AromaticContact CG-CZ 3.76Å; F323-F388 HydrophobicContact CG-CZ 3.76Å; M327-F388 WeakPolarHBondContact O-CE1 3.38Å; L328-F388 HydrophobicContact CB-CD2 4.32Å; L328-F388 HydrophobicContact CD2-CB 3.57Å; L328-F388 HydrophobicContact CD2-CD2 4.34Å; L328-F388 HydrophobicContact CD2-CG 3.89Å; L328-F388 WeakPolarHBondContact O-CE2 3.23Å; F362-F388 HydrophobicContact CB-CD2 3.94Å; F362-F388 HydrophobicContact CB-CE2 4.34Å; F362-F388 HydrophobicContact CD1-CD2 4.34Å; F362-F388 HydrophobicContact CD2-CB 4.2Å; F362-F388 AromaticContact CD2-CD2 3.76Å; F362-F388 HydrophobicContact CD2-CD2 3.76Å; F362-F388 HydrophobicContact CD2-CG 4.48Å; F362-F388 HydrophobicContact CE1-CB 4.26Å; F362-F388 VanDerWaalsContact CE2-CA 3.48Å; F362-F388 HydrophobicContact CE2-CB 3.94Å; F362-F388 HydrophobicContact CE2-CD2 4.35Å; F362-F388 AromaticContact CG-CD2 3.76Å; F362-F388 HydrophobicContact CG-CD2 3.76Å; F362-F388 HydrophobicContact CZ-CB 3.95Å; L384-F388 WeakPolarHBondContact O-CB 3.19Å; L384-F388 PolarHBondContact O-N 3.06Å; L385-F388 WeakPolarHBondContact O-CB 3.44Å; L385-F388 PolarHBondContact O-N 2.82Å; K386-F388 VanDerWaalsContact C-N 3.3Å; K386-F388 PolarHBondContact O-N 2.68Å; F388-W391 AromaticContact CD2-CE3 3.96Å; F388-W391 HydrophobicContact CD2-CE3 3.96Å; F388-W391 HydrophobicContact CD2-CZ3 4.26Å; F388-W391 AromaticContact CE2-CE3 3.92Å; F388-W391 HydrophobicContact CE2-CE3 3.92Å; F388-W391 AromaticContact CE2-CZ3 3.84Å; F388-W391 HydrophobicContact CE2-CZ3 3.84Å; F388-W391 PolarHBondContact O-N 2.82Å; F388-R392 VanDerWaalsContact O-CB 3.29Å; F388-R392 WeakPolarHBondContact O-CB 3.42Å; F388-R392 PolarHBondContact O-N 2.81Å |
| 389 | E | 88.9 | Confident | 89.6 | Confident | 62 Ų | 62 | 41.8 Ų | 41.8 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 173.2 | -74.3 | 169.5 | 177 | 0 | 0 | 110.7 | L385 K386 W391 R392 D393 | L385-E389 WeakPolarHBondContact O-CG 3.31Å; L385-E389 PolarHBondContact O-N 3.08Å; K386-E389 PolarHBondContact O-N 2.73Å; E389-W391 PolarHBondContact O-N 3.27Å; E389-R392 PolarHBondContact O-N 3.14Å; E389-D393 VanDerWaalsContact O-CB 3.32Å; E389-D393 WeakPolarHBondContact O-CB 3.3Å; E389-D393 PolarHBondContact O-N 3.14Å |
| 390 | K | 91.4 | Very high | 90 | Very high | 87 Ų | 87 | 43.2 Ų | 43.2 | 38% | 0.378 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 176.7 | -163.5 | 176.8 | -174.1 | 175.6 | 0 | 112.1 | K386 L387 D393 S394 L398 L403 D409 | K386-K390 PolarHBondContact O-N 3.4Å; L387-K390 PolarHBondContact O-N 3.33Å; K390-D393 PolarHBondContact O-N 3.41Å; K390-S394 PolarHBondContact O-N 2.83Å; K390-S394 VanDerWaalsContact O-N 3.07Å; K390-L398 HydrophobicContact CD-CD1 4.32Å; K390-L398 HydrophobicContact CG-CD1 3.82Å; K390-L403 HydrophobicContact CB-CD2 4.35Å; K390-D409 IonicContact NZ-OD2 3.59Å |
| 391 | W | 92.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 2% | 0.023 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.6 | 180 | 66 | 0 | 0 | 0 | 112.2 | F323 P360 F362 L387 F388 E389 D393 S394 F396 L403 | F323-W391 HydrophobicContact CE1-CZ3 4.43Å; P360-W391 HydrophobicContact CB-CH2 3.84Å; P360-W391 HydrophobicContact CB-CZ2 3.82Å; P360-W391 HydrophobicContact CG-CH2 3.69Å; P360-W391 HydrophobicContact CG-CZ2 3.88Å; P360-W391 WeakPolarHBondContact O-CH2 3.37Å; F362-W391 HydrophobicContact CB-CE3 4.19Å; F362-W391 HydrophobicContact CB-CH2 4.41Å; F362-W391 HydrophobicContact CB-CZ3 3.94Å; F362-W391 HydrophobicContact CD2-CB 4.18Å; F362-W391 AromaticContact CD2-CD2 3.84Å; F362-W391 HydrophobicContact CD2-CD2 3.84Å; F362-W391 AromaticContact CD2-CE3 3.62Å; F362-W391 HydrophobicContact CD2-CE3 3.62Å; F362-W391 HydrophobicContact CD2-CG 4.11Å; F362-W391 HydrophobicContact CD2-CZ3 4.24Å; F362-W391 HydrophobicContact CE2-CB 4.01Å; F362-W391 HydrophobicContact CE2-CG 4.35Å; F362-W391 HydrophobicContact CG-CE3 4.37Å; L387-W391 WeakPolarHBondContact O-CB 2.98Å; L387-W391 PolarHBondContact O-N 2.83Å; F388-W391 AromaticContact CD2-CE3 3.96Å; F388-W391 HydrophobicContact CD2-CE3 3.96Å; F388-W391 HydrophobicContact CD2-CZ3 4.26Å; F388-W391 AromaticContact CE2-CE3 3.92Å; F388-W391 HydrophobicContact CE2-CE3 3.92Å; F388-W391 AromaticContact CE2-CZ3 3.84Å; F388-W391 HydrophobicContact CE2-CZ3 3.84Å; F388-W391 PolarHBondContact O-N 2.82Å; E389-W391 PolarHBondContact O-N 3.27Å; W391-D393 VanDerWaalsContact C-N 3.35Å; W391-D393 PolarHBondContact O-N 2.96Å; W391-S394 PolarHBondContact O-N 3.29Å; W391-S394 PolarHBondContact O-OG 2.98Å; W391-F396 HydrophobicContact CD2-CB 4.4Å; W391-F396 HydrophobicContact CD2-CD1 4.07Å; W391-F396 AromaticContact CE3-CD1 3.73Å; W391-F396 HydrophobicContact CE3-CD1 3.73Å; W391-F396 HydrophobicContact CE3-CE1 4.41Å; W391-F396 HydrophobicContact CH2-CB 4.14Å; W391-F396 AromaticContact CH2-CD1 3.68Å; W391-F396 HydrophobicContact CH2-CD1 3.68Å; W391-F396 HydrophobicContact CH2-CG 4.28Å; W391-F396 HydrophobicContact CZ2-CB 3.65Å; W391-F396 HydrophobicContact CZ2-CD1 4.01Å; W391-F396 HydrophobicContact CZ2-CG 4.27Å; W391-F396 AromaticContact CZ3-CD1 3.53Å; W391-F396 HydrophobicContact CZ3-CD1 3.53Å; W391-F396 HydrophobicContact CZ3-CE1 4.14Å; W391-F396 PolarHBondContact NE1-O 2.93Å; W391-F396 WeakPolarHBondContact O-CA 3.41Å; W391-F396 PolarHBondContact O-N 2.86Å; W391-L403 HydrophobicContact CB-CD1 3.93Å; W391-L403 HydrophobicContact CB-CD2 3.83Å; W391-L403 HydrophobicContact CG-CD1 4.07Å |
| 392 | R | 89.4 | Confident | 90.7 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 21% | 0.211 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.6 | -178.8 | -162.5 | 66.8 | -158.5 | -8.6 | 111.7 | R320 F388 E389 S394 D395 F396 | R320-R392 HydrophobicContact CG-CG 3.96Å; F388-R392 VanDerWaalsContact O-CB 3.29Å; F388-R392 WeakPolarHBondContact O-CB 3.42Å; F388-R392 PolarHBondContact O-N 2.81Å; E389-R392 PolarHBondContact O-N 3.14Å; R392-S394 PolarHBondContact O-N 3.14Å; R392-D395 PolarHBondContact O-N 3.13Å; R392-D395 VanDerWaalsContact O-N 3.08Å; R392-F396 HydrophobicContact CB-CE1 4.02Å; R392-F396 HydrophobicContact CG-CE1 3.79Å; R392-F396 HydrophobicContact CG-CZ 4.1Å |
| 393 | D | 87.7 | Confident | 91 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -72.1 | -20.2 | -178 | -64.3 | -7.6 | 0 | 0 | 0 | 112.1 | R320 E389 K390 W391 D395 | R320-D393 PolarHBondContact NH2-O 3.4Å; R320-D393 VanDerWaalsContact NH2-O 3.09Å; E389-D393 VanDerWaalsContact O-CB 3.32Å; E389-D393 WeakPolarHBondContact O-CB 3.3Å; E389-D393 PolarHBondContact O-N 3.14Å; K390-D393 PolarHBondContact O-N 3.41Å; W391-D393 VanDerWaalsContact C-N 3.35Å; W391-D393 PolarHBondContact O-N 2.96Å; D393-D395 PolarHBondContact O-N 2.62Å |
| 394 | S | 90.5 | Very high | 91.1 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 9.8 | 168.8 | 79.7 | 0 | 0 | 0 | 0 | 114.8 | K390 W391 R392 F396 K397 L398 | K390-S394 PolarHBondContact O-N 2.83Å; K390-S394 VanDerWaalsContact O-N 3.07Å; W391-S394 PolarHBondContact O-N 3.29Å; W391-S394 PolarHBondContact O-OG 2.98Å; R392-S394 PolarHBondContact O-N 3.14Å; S394-F396 PolarHBondContact O-N 3.39Å; S394-K397 WeakPolarHBondContact O-CB 3.36Å; S394-K397 WeakPolarHBondContact O-CG 3.35Å; S394-K397 PolarHBondContact O-N 3.16Å; S394-K397 PolarHBondContact OG-N 2.97Å; S394-L398 WeakPolarHBondContact OG-CG 3.33Å; S394-L398 PolarHBondContact OG-N 3.31Å |
| 395 | D | 88.7 | Confident | 91.1 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 39.2 | -171.6 | -50.7 | -40 | 0 | 0 | 0 | 112.8 | R316 R320 R392 D393 K397 | R316-D395 WeakPolarHBondContact CD-OD1 3.5Å; R316-D395 WeakPolarHBondContact CD-OD2 3.38Å; R316-D395 WeakPolarHBondContact CG-OD1 3.42Å; R320-D395 IonicContact CZ-OD1 3.79Å; R320-D395 IonicContact NE-OD1 3.03Å; R320-D395 IonicContact NH2-OD1 3.14Å; R320-D395 PolarHBondContact NH2-OD1 2.74Å; R392-D395 PolarHBondContact O-N 3.13Å; R392-D395 VanDerWaalsContact O-N 3.08Å; D393-D395 PolarHBondContact O-N 2.62Å; D395-K397 PolarHBondContact O-N 2.8Å |
| 396 | F | 90.7 | Very high | 91.2 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 20.6 | 176.9 | -39.4 | -72.7 | 0 | 0 | 0 | 114.2 | K319 F323 W357 P360 W391 R392 S394 | K319-F396 HydrophobicContact CB-CE2 4.24Å; F323-F396 HydrophobicContact CD2-CE1 4Å; F323-F396 AromaticContact CD2-CZ 3.93Å; F323-F396 HydrophobicContact CD2-CZ 3.93Å; F323-F396 HydrophobicContact CE1-CE1 4.3Å; F323-F396 HydrophobicContact CE2-CD1 4.42Å; F323-F396 AromaticContact CE2-CE1 3.33Å; F323-F396 HydrophobicContact CE2-CE1 3.33Å; F323-F396 HydrophobicContact CE2-CE2 4.22Å; F323-F396 AromaticContact CE2-CZ 3.22Å; F323-F396 HydrophobicContact CE2-CZ 3.22Å; F323-F396 HydrophobicContact CZ-CD1 4.22Å; F323-F396 AromaticContact CZ-CE1 3.49Å; F323-F396 HydrophobicContact CZ-CE1 3.49Å; F323-F396 VanDerWaalsContact CZ-CE1 3.49Å; F323-F396 AromaticContact CZ-CZ 3.8Å; F323-F396 HydrophobicContact CZ-CZ 3.8Å; W357-F396 HydrophobicContact CH2-CE2 4.11Å; W357-F396 HydrophobicContact CH2-CZ 4.39Å; W357-F396 HydrophobicContact CZ2-CD2 4.26Å; W357-F396 HydrophobicContact CZ2-CE2 4.02Å; P360-F396 HydrophobicContact CB-CB 4.38Å; P360-F396 HydrophobicContact CG-CB 3.46Å; P360-F396 VanDerWaalsContact CG-CB 3.46Å; P360-F396 HydrophobicContact CG-CD1 3.95Å; P360-F396 HydrophobicContact CG-CD2 3.97Å; P360-F396 HydrophobicContact CG-CG 3.5Å; W391-F396 HydrophobicContact CD2-CB 4.4Å; W391-F396 HydrophobicContact CD2-CD1 4.07Å; W391-F396 AromaticContact CE3-CD1 3.73Å; W391-F396 HydrophobicContact CE3-CD1 3.73Å; W391-F396 HydrophobicContact CE3-CE1 4.41Å; W391-F396 HydrophobicContact CH2-CB 4.14Å; W391-F396 AromaticContact CH2-CD1 3.68Å; W391-F396 HydrophobicContact CH2-CD1 3.68Å; W391-F396 HydrophobicContact CH2-CG 4.28Å; W391-F396 HydrophobicContact CZ2-CB 3.65Å; W391-F396 HydrophobicContact CZ2-CD1 4.01Å; W391-F396 HydrophobicContact CZ2-CG 4.27Å; W391-F396 AromaticContact CZ3-CD1 3.53Å; W391-F396 HydrophobicContact CZ3-CD1 3.53Å; W391-F396 HydrophobicContact CZ3-CE1 4.14Å; W391-F396 PolarHBondContact NE1-O 2.93Å; W391-F396 WeakPolarHBondContact O-CA 3.41Å; W391-F396 PolarHBondContact O-N 2.86Å; R392-F396 HydrophobicContact CB-CE1 4.02Å; R392-F396 HydrophobicContact CG-CE1 3.79Å; R392-F396 HydrophobicContact CG-CZ 4.1Å; S394-F396 PolarHBondContact O-N 3.39Å |
| 397 | K | 92.5 | Very high | 91.1 | Very high | 163 Ų | 163 | 51.6 Ų | 51.6 | 71% | 0.709 | 26% | 0.255 | S | S | * | . | trans | -91 | -27.8 | -174.7 | -65 | 176.8 | -178.6 | 171.6 | 0 | 114.4 | S394 D395 T399 | S394-K397 WeakPolarHBondContact O-CB 3.36Å; S394-K397 WeakPolarHBondContact O-CG 3.35Å; S394-K397 PolarHBondContact O-N 3.16Å; S394-K397 PolarHBondContact OG-N 2.97Å; D395-K397 PolarHBondContact O-N 2.8Å; K397-T399 PolarHBondContact O-N 3.3Å | ||
| 398 | L | 93.2 | Very high | 90.7 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | trans | -60.8 | 136.2 | -176.8 | -71.3 | 169.4 | 0 | 0 | 0 | 112 | K390 S394 E402 L403 | K390-L398 HydrophobicContact CD-CD1 4.32Å; K390-L398 HydrophobicContact CG-CD1 3.82Å; S394-L398 WeakPolarHBondContact OG-CG 3.33Å; S394-L398 PolarHBondContact OG-N 3.31Å; L398-E402 VanDerWaalsContact CA-OE2 3.26Å; L398-E402 WeakPolarHBondContact CA-OE2 3.27Å; L398-E402 HydrophobicContact CB-CB 4.47Å; L398-E402 HydrophobicContact CD2-CB 3.87Å; L398-E402 HydrophobicContact CD2-CG 4.46Å; L398-E402 WeakPolarHBondContact CD2-OE2 3.39Å; L398-L403 HydrophobicContact CB-CD1 4.48Å; L398-L403 HydrophobicContact CB-CD2 4.02Å; L398-L403 HydrophobicContact CB-CG 3.94Å; L398-L403 HydrophobicContact CD1-CD2 3.82Å | ||
| 399 | T | 93.5 | Very high | 90.3 | Very high | 60 Ų | 60 | 65.3 Ų | 65.3 | 37% | 0.368 | 32% | 0.323 | S | S | . | . | trans | -77.3 | 172.1 | 177 | 80.7 | 0 | 0 | 0 | 0 | 111.9 | K397 E401 E402 L403 | K397-T399 PolarHBondContact O-N 3.3Å; T399-E401 VanDerWaalsContact C-N 3.27Å; T399-E401 VanDerWaalsContact CB-OE2 3.3Å; T399-E401 WeakPolarHBondContact CB-OE2 3.37Å; T399-E401 PolarHBondContact O-N 3.37Å; T399-E401 PolarHBondContact OG1-N 2.67Å; T399-E401 PolarHBondContact OG1-OE2 3.34Å; T399-E402 PolarHBondContact N-OE2 3.01Å; T399-E402 PolarHBondContact OG1-N 2.9Å; T399-L403 WeakPolarHBondContact O-CB 3.3Å; T399-L403 WeakPolarHBondContact O-CD1 3.2Å; T399-L403 VanDerWaalsContact O-CG 3.27Å; T399-L403 WeakPolarHBondContact O-CG 3.37Å; T399-L403 PolarHBondContact O-N 2.62Å; T399-L403 VanDerWaalsContact O-N 3.13Å | ||
| 400 | V | 93 | Very high | 90 | Very high | 39 Ų | 39 | 63.9 Ų | 63.9 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | P363 M368 L403 L404 | P363-V400 HydrophobicContact CB-CG2 3.67Å; P363-V400 HydrophobicContact CG-CG2 4.25Å; M368-V400 HydrophobicContact SD-CG1 4.12Å; V400-L403 PolarHBondContact O-N 2.93Å; V400-L404 HydrophobicContact CG1-CD1 3.76Å; V400-L404 HydrophobicContact CG1-CG 4.26Å; V400-L404 WeakPolarHBondContact O-CB 3.32Å; V400-L404 VanDerWaalsContact O-CG 3.27Å; V400-L404 WeakPolarHBondContact O-CG 3.44Å; V400-L404 PolarHBondContact O-N 3.4Å |
| 401 | E | 92.3 | Very high | 89.6 | Confident | 120 Ų | 120 | 62.1 Ų | 62.1 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.5 | -52.4 | -179.3 | -60.3 | 73.3 | -158 | 0 | 0 | 110.7 | T399 L403 L404 D405 | T399-E401 VanDerWaalsContact C-N 3.27Å; T399-E401 VanDerWaalsContact CB-OE2 3.3Å; T399-E401 WeakPolarHBondContact CB-OE2 3.37Å; T399-E401 PolarHBondContact O-N 3.37Å; T399-E401 PolarHBondContact OG1-N 2.67Å; T399-E401 PolarHBondContact OG1-OE2 3.34Å; E401-L403 PolarHBondContact O-N 2.77Å; E401-L404 PolarHBondContact O-N 3.2Å; E401-L404 VanDerWaalsContact O-N 3.08Å; E401-D405 VanDerWaalsContact O-CG 3.26Å; E401-D405 PolarHBondContact O-N 3.46Å |
| 402 | E | 93.9 | Very high | 89.1 | Confident | 94 Ų | 94 | 64.7 Ų | 64.7 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.9 | -32.8 | -179.1 | -62.3 | 173 | 136 | 0 | 0 | 112.8 | L398 T399 S406 | L398-E402 VanDerWaalsContact CA-OE2 3.26Å; L398-E402 WeakPolarHBondContact CA-OE2 3.27Å; L398-E402 HydrophobicContact CB-CB 4.47Å; L398-E402 HydrophobicContact CD2-CB 3.87Å; L398-E402 HydrophobicContact CD2-CG 4.46Å; L398-E402 WeakPolarHBondContact CD2-OE2 3.39Å; T399-E402 PolarHBondContact N-OE2 3.01Å; T399-E402 PolarHBondContact OG1-N 2.9Å; E402-S406 PolarHBondContact O-N 3.32Å |
| 403 | L | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.3 | -42.7 | 174.5 | -71.4 | 169.3 | 0 | 0 | 0 | 111.9 | F362 P363 V364 L387 K390 W391 L398 T399 V400 E401 S406 | F362-L403 HydrophobicContact CE2-CD1 4.1Å; P363-L403 HydrophobicContact CG-CD1 3.89Å; V364-L403 HydrophobicContact CG2-CB 3.85Å; V364-L403 HydrophobicContact CG2-CD1 3.68Å; V364-L403 HydrophobicContact CG2-CG 4.43Å; L387-L403 WeakPolarHBondContact CD2-O 3.2Å; L387-L403 WeakPolarHBondContact O-CD2 3.45Å; K390-L403 HydrophobicContact CB-CD2 4.35Å; W391-L403 HydrophobicContact CB-CD1 3.93Å; W391-L403 HydrophobicContact CB-CD2 3.83Å; W391-L403 HydrophobicContact CG-CD1 4.07Å; L398-L403 HydrophobicContact CB-CD1 4.48Å; L398-L403 HydrophobicContact CB-CD2 4.02Å; L398-L403 HydrophobicContact CB-CG 3.94Å; L398-L403 HydrophobicContact CD1-CD2 3.82Å; T399-L403 WeakPolarHBondContact O-CB 3.3Å; T399-L403 WeakPolarHBondContact O-CD1 3.2Å; T399-L403 VanDerWaalsContact O-CG 3.27Å; T399-L403 WeakPolarHBondContact O-CG 3.37Å; T399-L403 PolarHBondContact O-N 2.62Å; T399-L403 VanDerWaalsContact O-N 3.13Å; V400-L403 PolarHBondContact O-N 2.93Å; E401-L403 PolarHBondContact O-N 2.77Å; L403-S406 WeakPolarHBondContact O-CB 3.26Å; L403-S406 PolarHBondContact O-N 3.4Å; L403-S406 PolarHBondContact O-OG 2.94Å |
| 404 | L | 91 | Very high | 88.3 | Confident | 42 Ų | 42 | 67 Ų | 67 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 178.4 | -68.9 | 176.7 | 0 | 0 | 0 | 111.6 | V364 M368 I369 V400 E401 S406 L407 | V364-L404 HydrophobicContact CG1-CD2 4.09Å; M368-L404 HydrophobicContact CB-CD1 4.36Å; M368-L404 HydrophobicContact CB-CD2 4.48Å; I369-L404 HydrophobicContact CG1-CD2 4.24Å; V400-L404 HydrophobicContact CG1-CD1 3.76Å; V400-L404 HydrophobicContact CG1-CG 4.26Å; V400-L404 WeakPolarHBondContact O-CB 3.32Å; V400-L404 VanDerWaalsContact O-CG 3.27Å; V400-L404 WeakPolarHBondContact O-CG 3.44Å; V400-L404 PolarHBondContact O-N 3.4Å; E401-L404 PolarHBondContact O-N 3.2Å; E401-L404 VanDerWaalsContact O-N 3.08Å; L404-S406 PolarHBondContact O-N 3.05Å; L404-L407 HydrophobicContact CD2-CD1 3.98Å; L404-L407 WeakPolarHBondContact O-CB 3.2Å; L404-L407 WeakPolarHBondContact O-CD1 3.48Å; L404-L407 WeakPolarHBondContact O-CG 3.49Å; L404-L407 PolarHBondContact O-N 2.9Å |
| 405 | D | 90.7 | Very high | 88 | Confident | 116 Ų | 116 | 68.3 Ų | 68.3 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.7 | -32.5 | 175 | -69 | -12.1 | 0 | 0 | 0 | 111.4 | E401 L407 E408 | E401-D405 VanDerWaalsContact O-CG 3.26Å; E401-D405 PolarHBondContact O-N 3.46Å; D405-L407 PolarHBondContact O-N 3.27Å; D405-L407 VanDerWaalsContact O-N 3.15Å; D405-E408 PolarHBondContact O-N 2.84Å |
| 406 | S | 90.1 | Very high | 87.7 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -70.3 | -5.7 | 176.3 | 78.8 | 0 | 0 | 0 | 0 | 115.8 | L387 E402 L403 L404 E408 D409 | L387-S406 WeakPolarHBondContact CD2-OG 3.3Å; E402-S406 PolarHBondContact O-N 3.32Å; L403-S406 WeakPolarHBondContact O-CB 3.26Å; L403-S406 PolarHBondContact O-N 3.4Å; L403-S406 PolarHBondContact O-OG 2.94Å; L404-S406 PolarHBondContact O-N 3.05Å; S406-E408 PolarHBondContact O-N 3.4Å; S406-D409 PolarHBondContact O-N 2.74Å |
| 407 | L | 87.1 | Confident | 87.3 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -61.3 | -28.6 | 173.6 | -72 | 172.4 | 0 | 0 | 0 | 111.8 | I369 Y374 V383 L387 L404 D405 D409 L410 | I369-L407 HydrophobicContact CG1-CD1 4.41Å; I369-L407 HydrophobicContact CG2-CD1 4.27Å; Y374-L407 HydrophobicContact CD2-CD2 4.42Å; Y374-L407 HydrophobicContact CE2-CB 4.37Å; Y374-L407 HydrophobicContact CE2-CD2 4.21Å; Y374-L407 PolarHBondContact OH-O 3.16Å; V383-L407 HydrophobicContact CG1-CD2 3.41Å; V383-L407 VanDerWaalsContact CG1-CD2 3.41Å; L387-L407 HydrophobicContact CD1-CD2 3.93Å; L387-L407 HydrophobicContact CD2-CD2 4.08Å; L387-L407 HydrophobicContact CD2-CG 4.48Å; L387-L407 HydrophobicContact CG-CD2 4.24Å; L404-L407 HydrophobicContact CD2-CD1 3.98Å; L404-L407 WeakPolarHBondContact O-CB 3.2Å; L404-L407 WeakPolarHBondContact O-CD1 3.48Å; L404-L407 WeakPolarHBondContact O-CG 3.49Å; L404-L407 PolarHBondContact O-N 2.9Å; D405-L407 PolarHBondContact O-N 3.27Å; D405-L407 VanDerWaalsContact O-N 3.15Å; L407-D409 VanDerWaalsContact C-N 3.27Å; L407-D409 PolarHBondContact O-N 2.94Å; L407-L410 HydrophobicContact CD2-CD1 3.73Å; L407-L410 WeakPolarHBondContact O-CB 3.25Å; L407-L410 PolarHBondContact O-N 2.64Å |
| 408 | E | 82.5 | Confident | 86.8 | Confident | 165 Ų | 165 | 67.6 Ų | 67.6 | 77% | 0.771 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -65 | -31 | 178 | -62.4 | -169.2 | 170.8 | 0 | 0 | 112.5 | D405 S406 L410 | D405-E408 PolarHBondContact O-N 2.84Å; S406-E408 PolarHBondContact O-N 3.4Å; E408-L410 VanDerWaalsContact C-N 3.3Å; E408-L410 PolarHBondContact O-N 2.94Å |
| 409 | D | 83.9 | Confident | 86.1 | Confident | 128 Ų | 128 | 69.2 Ų | 69.2 | 68% | 0.684 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -78.7 | -13 | 179.3 | -61 | -38.1 | 0 | 0 | 0 | 113.1 | K390 S406 L407 | K390-D409 IonicContact NZ-OD2 3.59Å; S406-D409 PolarHBondContact O-N 2.74Å; L407-D409 VanDerWaalsContact C-N 3.27Å; L407-D409 PolarHBondContact O-N 2.94Å |
| 410 | L | 83.2 | Confident | 85.3 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -73.7 | 138.6 | -174.8 | -70 | 178.5 | 0 | 0 | 0 | 111.5 | V383 K386 L407 E408 L416 | V383-L410 HydrophobicContact CG1-CD1 3.89Å; V383-L410 HydrophobicContact CG2-CD1 4.45Å; K386-L410 HydrophobicContact CB-CD2 3.82Å; K386-L410 HydrophobicContact CG-CD2 4.23Å; L407-L410 HydrophobicContact CD2-CD1 3.73Å; L407-L410 WeakPolarHBondContact O-CB 3.25Å; L407-L410 PolarHBondContact O-N 2.64Å; E408-L410 VanDerWaalsContact C-N 3.3Å; E408-L410 PolarHBondContact O-N 2.94Å; L410-L416 HydrophobicContact CB-CD1 4.49Å |
| 411 | P | 82 | Confident | 84.6 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -54 | 162.8 | 173.3 | -25.4 | 32.7 | 0 | 0 | 0 | 113.1 | T415 L416 | P411-T415 HydrophobicContact CB-CG2 3.77Å; P411-L416 HydrophobicContact CB-CD2 4.43Å; P411-L416 HydrophobicContact CB-CG 4.35Å; P411-L416 HydrophobicContact CG-CD2 4.34Å |
| 412 | S | 82 | Confident | 83.9 | Confident | 59 Ų | 59 | 66.9 Ų | 66.9 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 147.9 | 175.4 | 73.3 | 0 | 0 | 0 | 0 | 111.2 | E414 T415 L416 | S412-E414 PolarHBondContact O-N 3.08Å; S412-T415 WeakPolarHBondContact O-CA 3.43Å; S412-T415 WeakPolarHBondContact O-CB 3.35Å; S412-T415 PolarHBondContact O-N 3.12Å; S412-T415 PolarHBondContact OG-N 2.66Å; S412-T415 PolarHBondContact OG-OG1 3.18Å; S412-L416 PolarHBondContact O-N 3.23Å |
| 413 | P | 80.1 | Confident | 82.8 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.8 | -29.1 | -179 | -26.6 | 32.7 | 0 | 0 | 0 | 114.7 | K373 Y374 I379 R417 | K373-P413 HydrophobicContact CB-CG 4.19Å; K373-P413 HydrophobicContact CD-CG 4.5Å; Y374-P413 HydrophobicContact CD1-CG 4.11Å; Y374-P413 HydrophobicContact CE1-CG 3.95Å; I379-P413 HydrophobicContact CD1-CB 3.67Å; I379-P413 HydrophobicContact CG1-CB 4.25Å; I379-P413 HydrophobicContact CG2-CB 4.06Å; P413-R417 WeakPolarHBondContact O-CG 3.26Å; P413-R417 PolarHBondContact O-N 3.27Å; P413-R417 VanDerWaalsContact O-N 3.11Å |
| 414 | E | 81.1 | Confident | 81.7 | Confident | 161 Ų | 161 | 72 Ų | 72 | 75% | 0.752 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.3 | -43.6 | 175.1 | -65.3 | -179 | 167.7 | 0 | 0 | 111.9 | S412 R417 L418 | S412-E414 PolarHBondContact O-N 3.08Å; E414-R417 PolarHBondContact O-N 2.93Å; E414-L418 PolarHBondContact O-N 2.96Å; E414-L418 VanDerWaalsContact O-N 3.12Å |
| 415 | T | 84.7 | Confident | 80.5 | Confident | 59 Ų | 59 | 76 Ų | 76 | 36% | 0.362 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 175.8 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | P411 S412 R417 L418 E419 | P411-T415 HydrophobicContact CB-CG2 3.77Å; S412-T415 WeakPolarHBondContact O-CA 3.43Å; S412-T415 WeakPolarHBondContact O-CB 3.35Å; S412-T415 PolarHBondContact O-N 3.12Å; S412-T415 PolarHBondContact OG-N 2.66Å; S412-T415 PolarHBondContact OG-OG1 3.18Å; T415-R417 VanDerWaalsContact C-N 3.33Å; T415-R417 PolarHBondContact O-N 2.9Å; T415-L418 PolarHBondContact O-N 3.39Å; T415-L418 VanDerWaalsContact O-N 3.13Å; T415-E419 PolarHBondContact O-N 3.38Å |
| 416 | L | 82.4 | Confident | 79 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 177 | -73.1 | 177 | 0 | 0 | 0 | 112.5 | Y374 I382 V383 K386 L410 P411 S412 Y420 | Y374-L416 HydrophobicContact CE1-CD1 4.36Å; I382-L416 HydrophobicContact CG2-CB 3.93Å; I382-L416 HydrophobicContact CG2-CD2 4.34Å; V383-L416 HydrophobicContact CG2-CD1 4.01Å; K386-L416 HydrophobicContact CG-CD2 4.17Å; L410-L416 HydrophobicContact CB-CD1 4.49Å; P411-L416 HydrophobicContact CB-CD2 4.43Å; P411-L416 HydrophobicContact CB-CG 4.35Å; P411-L416 HydrophobicContact CG-CD2 4.34Å; S412-L416 PolarHBondContact O-N 3.23Å; L416-Y420 VanDerWaalsContact O-CB 3.32Å; L416-Y420 WeakPolarHBondContact O-CB 3.16Å; L416-Y420 PolarHBondContact O-N 2.98Å |
| 417 | R | 81 | Confident | 77.3 | Confident | 108 Ų | 108 | 82 Ų | 82 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 176.1 | -79.9 | 179.7 | 178.2 | -175 | 3.7 | 112.4 | K376 I379 I382 P413 E414 T415 S421 | K376-R417 PolarHBondContact O-NH2 3.45Å; I379-R417 HydrophobicContact CG1-CG 4.1Å; I382-R417 HydrophobicContact CD1-CG 4.08Å; P413-R417 WeakPolarHBondContact O-CG 3.26Å; P413-R417 PolarHBondContact O-N 3.27Å; P413-R417 VanDerWaalsContact O-N 3.11Å; E414-R417 PolarHBondContact O-N 2.93Å; T415-R417 VanDerWaalsContact C-N 3.33Å; T415-R417 PolarHBondContact O-N 2.9Å; R417-S421 WeakPolarHBondContact O-CB 3.48Å; R417-S421 PolarHBondContact O-N 3.15Å |
| 418 | L | 82.1 | Confident | 75.4 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 59% | 0.592 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66 | -47.1 | -179.5 | -174.1 | 63.1 | 0 | 0 | 0 | 111.1 | E414 T415 Y420 S421 N422 | E414-L418 PolarHBondContact O-N 2.96Å; E414-L418 VanDerWaalsContact O-N 3.12Å; T415-L418 PolarHBondContact O-N 3.39Å; T415-L418 VanDerWaalsContact O-N 3.13Å; L418-Y420 PolarHBondContact O-N 3.03Å; L418-S421 PolarHBondContact O-N 3.34Å; L418-N422 VanDerWaalsContact O-CG 3.28Å; L418-N422 PolarHBondContact O-N 2.88Å; L418-N422 PolarHBondContact O-ND2 3.26Å |
| 419 | E | 79.3 | Confident | 73.5 | Confident | 72 Ų | 72 | 94.3 Ų | 94.3 | 34% | 0.336 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56.6 | -49.6 | 174.5 | -73.8 | -178.8 | -166.9 | 0 | 0 | 111.6 | K386 T415 S421 N422 S423 | K386-E419 IonicContact NZ-OE2 2.84Å; K386-E419 PolarHBondContact NZ-OE2 2.85Å; K386-E419 VanDerWaalsContact NZ-OE2 3.16Å; T415-E419 PolarHBondContact O-N 3.38Å; E419-S421 PolarHBondContact O-N 2.9Å; E419-N422 WeakPolarHBondContact O-CB 3.48Å; E419-N422 PolarHBondContact O-N 3.4Å; E419-N422 VanDerWaalsContact O-N 3.14Å; E419-S423 PolarHBondContact O-N 3.48Å; E419-S423 PolarHBondContact O-OG 3.45Å |
| 420 | Y | 76.4 | Confident | 71.7 | Confident | 42 Ų | 42 | 94.9 Ų | 94.9 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | -178.2 | -173.3 | -105.2 | 0 | 0 | 0 | 112.8 | F326 I382 L385 L416 L418 N422 S423 R424 | F326-Y420 AromaticContact CD1-CE2 3.57Å; F326-Y420 HydrophobicContact CD1-CE2 3.57Å; F326-Y420 HydrophobicContact CE1-CD2 4.19Å; F326-Y420 AromaticContact CE1-CE2 3.54Å; F326-Y420 HydrophobicContact CE1-CE2 3.54Å; I382-Y420 HydrophobicContact CD1-CD1 3.89Å; I382-Y420 HydrophobicContact CD1-CG 3.77Å; I382-Y420 HydrophobicContact CG1-CD1 3.84Å; I382-Y420 HydrophobicContact CG1-CD2 3.81Å; I382-Y420 HydrophobicContact CG1-CE1 4.33Å; I382-Y420 HydrophobicContact CG1-CE2 4.31Å; I382-Y420 HydrophobicContact CG1-CG 3.55Å; I382-Y420 HydrophobicContact CG2-CD2 4.46Å; L385-Y420 HydrophobicContact CD2-CD2 4.34Å; L385-Y420 HydrophobicContact CD2-CE2 3.9Å; L416-Y420 VanDerWaalsContact O-CB 3.32Å; L416-Y420 WeakPolarHBondContact O-CB 3.16Å; L416-Y420 PolarHBondContact O-N 2.98Å; L418-Y420 PolarHBondContact O-N 3.03Å; Y420-N422 VanDerWaalsContact C-N 3.3Å; Y420-N422 PolarHBondContact O-N 3.14Å; Y420-S423 PolarHBondContact O-N 3.32Å; Y420-R424 HydrophobicContact CE1-CG 4.16Å; Y420-R424 WeakPolarHBondContact O-CB 3.19Å; Y420-R424 PolarHBondContact O-N 3.27Å; Y420-R424 PolarHBondContact OH-NE 3.18Å |
| 421 | S | 77.9 | Confident | 69.5 | Low | 50 Ų | 50 | 100.6 Ų | 100.6 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 174.9 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | R417 L418 E419 K425 | R417-S421 WeakPolarHBondContact O-CB 3.48Å; R417-S421 PolarHBondContact O-N 3.15Å; L418-S421 PolarHBondContact O-N 3.34Å; E419-S421 PolarHBondContact O-N 2.9Å; S421-K425 WeakPolarHBondContact O-CB 3.44Å; S421-K425 VanDerWaalsContact O-CG 3.24Å; S421-K425 WeakPolarHBondContact O-CG 3.35Å; S421-K425 PolarHBondContact O-N 3.48Å |
| 422 | N | 77.2 | Confident | 67.4 | Low | 78 Ų | 78 | 100.6 Ų | 100.6 | 42% | 0.417 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 177.9 | -70.7 | -23 | 0 | 0 | 0 | 112.1 | L418 E419 Y420 K425 K426 | L418-N422 VanDerWaalsContact O-CG 3.28Å; L418-N422 PolarHBondContact O-N 2.88Å; L418-N422 PolarHBondContact O-ND2 3.26Å; E419-N422 WeakPolarHBondContact O-CB 3.48Å; E419-N422 PolarHBondContact O-N 3.4Å; E419-N422 VanDerWaalsContact O-N 3.14Å; Y420-N422 VanDerWaalsContact C-N 3.3Å; Y420-N422 PolarHBondContact O-N 3.14Å; N422-K425 PolarHBondContact O-N 3.37Å; N422-K426 WeakPolarHBondContact O-CG 3.37Å; N422-K426 PolarHBondContact O-N 3.1Å |
| 423 | S | 71.1 | Confident | 65.1 | Low | 57 Ų | 57 | 109.5 Ų | 109.5 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 176.7 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | E419 Y420 K425 K426 L427 | E419-S423 PolarHBondContact O-N 3.48Å; E419-S423 PolarHBondContact O-OG 3.45Å; Y420-S423 PolarHBondContact O-N 3.32Å; S423-K425 PolarHBondContact O-N 2.8Å; S423-K426 PolarHBondContact O-N 3.26Å; S423-L427 PolarHBondContact O-N 3.46Å |
| 424 | R | 69.9 | Low | 63.2 | Low | 144 Ų | 144 | 114.2 Ų | 114.2 | 54% | 0.543 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 173.7 | -91.1 | -169.5 | 156.1 | -167.8 | -7 | 112.7 | Y420 R428 | Y420-R424 HydrophobicContact CE1-CG 4.16Å; Y420-R424 WeakPolarHBondContact O-CB 3.19Å; Y420-R424 PolarHBondContact O-N 3.27Å; Y420-R424 PolarHBondContact OH-NE 3.18Å; R424-R428 WeakPolarHBondContact O-CB 3.43Å; R424-R428 WeakPolarHBondContact O-CG 3.37Å; R424-R428 PolarHBondContact O-N 3.34Å |
| 425 | K | 66.4 | Low | 60.7 | Low | 125 Ų | 125 | 115.5 Ų | 115.5 | 54% | 0.543 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 175.4 | -78.5 | 175.7 | -176.2 | 178.3 | 0 | 111.9 | S421 N422 S423 R428 R429 | S421-K425 WeakPolarHBondContact O-CB 3.44Å; S421-K425 VanDerWaalsContact O-CG 3.24Å; S421-K425 WeakPolarHBondContact O-CG 3.35Å; S421-K425 PolarHBondContact O-N 3.48Å; N422-K425 PolarHBondContact O-N 3.37Å; S423-K425 PolarHBondContact O-N 2.8Å; K425-R428 PolarHBondContact O-N 3Å; K425-R429 WeakPolarHBondContact O-CG 3.48Å; K425-R429 PolarHBondContact O-N 3.04Å |
| 426 | K | 59.3 | Low | 59.5 | Low | 159 Ų | 159 | 118.3 Ų | 118.3 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.9 | -45.8 | 174.5 | -76.7 | -177 | 179.9 | -177.6 | 0 | 111.4 | N422 S423 R429 K430 | N422-K426 WeakPolarHBondContact O-CG 3.37Å; N422-K426 PolarHBondContact O-N 3.1Å; S423-K426 PolarHBondContact O-N 3.26Å; K426-R429 PolarHBondContact O-N 2.61Å; K426-K430 PolarHBondContact O-N 3.43Å |
| 427 | L | 53.9 | Low | 58.3 | Low | 89 Ų | 89 | 124.5 Ų | 124.5 | 47% | 0.466 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.5 | -40.6 | 174.9 | -105.6 | 90.5 | 0 | 0 | 0 | 112.9 | F326 S423 R429 K430 K431 | F326-L427 HydrophobicContact CE2-CD1 4.24Å; F326-L427 HydrophobicContact CE2-CD2 3.83Å; F326-L427 HydrophobicContact CZ-CD1 4.49Å; S423-L427 PolarHBondContact O-N 3.46Å; L427-R429 VanDerWaalsContact C-N 3.27Å; L427-R429 PolarHBondContact O-N 3.42Å; L427-K430 PolarHBondContact O-N 3.26Å; L427-K430 VanDerWaalsContact O-N 3.1Å; L427-K431 PolarHBondContact O-N 3.46Å |
| 428 | R | 46.8 | Very low | 57.1 | Low | 203 Ų | 203 | 125.4 Ų | 125.4 | 77% | 0.766 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.9 | -29.3 | 177.4 | -86.6 | -175.7 | 153.5 | -166.2 | -6.3 | 113.2 | R424 K425 K430 K431 | R424-R428 WeakPolarHBondContact O-CB 3.43Å; R424-R428 WeakPolarHBondContact O-CG 3.37Å; R424-R428 PolarHBondContact O-N 3.34Å; K425-R428 PolarHBondContact O-N 3Å; R428-K430 VanDerWaalsContact C-N 3.31Å; R428-K431 PolarHBondContact O-N 2.94Å |
| 429 | R | 43.9 | Very low | 55.6 | Low | 225 Ų | 225 | 126.2 Ų | 126.2 | 85% | 0.849 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.9 | -22.3 | 173.6 | -79.8 | -178.6 | 165 | 174.8 | -4.8 | 113.1 | K425 K426 L427 | K425-R429 WeakPolarHBondContact O-CG 3.48Å; K425-R429 PolarHBondContact O-N 3.04Å; K426-R429 PolarHBondContact O-N 2.61Å; L427-R429 VanDerWaalsContact C-N 3.27Å; L427-R429 PolarHBondContact O-N 3.42Å |
| 430 | K | 44.8 | Very low | 54.1 | Low | 141 Ų | 141 | 129.6 Ų | 129.6 | 61% | 0.613 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -81.7 | -18.6 | 172.2 | -72.3 | -165.6 | 170.5 | -160.5 | 0 | 113.9 | K426 L427 R428 P432 | K426-K430 PolarHBondContact O-N 3.43Å; L427-K430 PolarHBondContact O-N 3.26Å; L427-K430 VanDerWaalsContact O-N 3.1Å; R428-K430 VanDerWaalsContact C-N 3.31Å; K430-P432 WeakPolarHBondContact O-CD 3.41Å |
| 431 | K | 36.9 | Very low | 52.6 | Low | 151 Ų | 151 | 135.4 Ų | 135.4 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -80.3 | 119.3 | 168.5 | -75.8 | -171.6 | 173 | -173.1 | 0 | 108.8 | L427 R428 R433 | L427-K431 PolarHBondContact O-N 3.46Å; R428-K431 PolarHBondContact O-N 2.94Å; K431-R433 PolarHBondContact O-N 2.92Å |
| 432 | P | 38.7 | Very low | 50.8 | Low | 50 Ų | 50 | 141.5 Ų | 141.5 | 33% | 0.325 | 65% | 0.649 | S | S | . | * | trans | -57.3 | 135.4 | 167.6 | -11.1 | 23 | 0 | 0 | 0 | 108.1 | Y279 K430 H434 | Y279-P432 HydrophobicContact CD1-CG 4.27Å; Y279-P432 HydrophobicContact CD2-CG 3.58Å; Y279-P432 HydrophobicContact CE1-CG 4.04Å; Y279-P432 HydrophobicContact CE2-CG 3.32Å; Y279-P432 HydrophobicContact CG-CG 4.07Å; Y279-P432 WeakPolarHBondContact OH-CD 3.48Å; K430-P432 WeakPolarHBondContact O-CD 3.41Å; P432-H434 PolarHBondContact O-N 2.88Å | ||
| 433 | R | 33.8 | Very low | 48.8 | Very low | 247 Ų | 247 | 146.4 Ų | 146.4 | 93% | 0.932 | 67% | 0.667 | S | S | * | * | trans | -68.7 | 101.3 | 170.1 | -73.4 | 179.8 | 174.1 | -176.7 | -2.9 | 107 | K431 S435 | K431-R433 PolarHBondContact O-N 2.92Å; R433-S435 PolarHBondContact O-N 3.46Å | ||
| 434 | H | 39.7 | Very low | 46.9 | Very low | 125 Ų | 125 | 153.8 Ų | 153.8 | 58% | 0.579 | 69% | 0.689 | S | S | * | * | trans | -65.3 | 114.4 | 163.8 | -68.5 | -64.5 | 0 | 0 | 0 | 108.1 | P432 | P432-H434 PolarHBondContact O-N 2.88Š| ||
| 435 | S | 29.2 | Very low | 44.9 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 100% | 1.308 | 70% | 0.703 | S | S | * | * | trans | -102.9 | 0 | 158.8 | 58.6 | 0 | 0 | 0 | 0 | 108.9 | R433 | R433-S435 PolarHBondContact O-N 3.46Š|
Retrieved 435 of 435 residues in 816.7 ms
(Link to these results)