| 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 | 69.3 | Low | 90.3 | Very high | 215 Ų | 215 | 82.7 Ų | 82.7 | 100% | 1.059 | 41% | 0.412 | S | S | * | . | 0 | 144.4 | 0 | -69.3 | -173 | -82.5 | 0 | 0 | 107.1 | D6 | M1-D6 WeakPolarHBondContact CA-OD2 3.48Å; M1-D6 WeakPolarHBondContact CB-OD2 3.46Å | |||
| 2 | G | 87.8 | Confident | 90.7 | Very high | 14 Ų | 14 | 87.7 Ų | 87.7 | 14% | 0.144 | 43% | 0.433 | C | S | . | . | trans | -177.3 | 154.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G4 R5 D6 | G2-G4 VanDerWaalsContact C-N 3.29Å; G2-G4 PolarHBondContact O-N 3.31Å; G2-R5 PolarHBondContact O-N 3.12Å; G2-R5 VanDerWaalsContact O-N 3.11Å; G2-D6 PolarHBondContact N-OD2 3.44Å; G2-D6 WeakPolarHBondContact O-CB 3.38Å; G2-D6 PolarHBondContact O-N 3.21Å | ||
| 3 | F | 95.9 | Very high | 91.1 | Very high | 34 Ų | 34 | 84.2 Ų | 84.2 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58 | -42.3 | -172.8 | -71.6 | 5.5 | 0 | 0 | 0 | 111.4 | R5 L7 L14 L17 L206 L209 Q210 | F3-R5 VanDerWaalsContact C-N 3.28Å; F3-R5 PolarHBondContact O-N 3.27Å; F3-L7 HydrophobicContact CB-CD1 4.47Å; F3-L7 HydrophobicContact CD1-CD1 3.56Å; F3-L7 HydrophobicContact CE1-CD1 3.94Å; F3-L7 HydrophobicContact CG-CD1 4.07Å; F3-L7 WeakPolarHBondContact O-CA 3.46Å; F3-L7 WeakPolarHBondContact O-CB 3.34Å; F3-L7 PolarHBondContact O-N 3.27Å; F3-L14 HydrophobicContact CD1-CD2 4.44Å; F3-L14 HydrophobicContact CD2-CD2 3.6Å; F3-L14 HydrophobicContact CE1-CD2 4.37Å; F3-L14 HydrophobicContact CE2-CD2 3.52Å; F3-L14 HydrophobicContact CG-CD2 4.08Å; F3-L14 HydrophobicContact CZ-CD2 3.93Å; F3-L17 HydrophobicContact CE2-CD2 4.4Å; F3-L17 HydrophobicContact CZ-CD2 3.76Å; F3-L206 HydrophobicContact CB-CB 3.91Å; F3-L206 WeakPolarHBondContact O-CD1 3.42Å; F3-L209 HydrophobicContact CD2-CD2 4.41Å; F3-L209 HydrophobicContact CD2-CG 4.46Å; F3-L209 HydrophobicContact CE2-CD2 4.49Å; F3-L209 HydrophobicContact CE2-CG 4.47Å; F3-Q210 HydrophobicContact CB-CB 4.16Å; F3-Q210 HydrophobicContact CD1-CB 4.4Å; F3-Q210 HydrophobicContact CD1-CG 4.34Å; F3-Q210 HydrophobicContact CD2-CB 3.69Å; F3-Q210 HydrophobicContact CD2-CG 4.36Å; F3-Q210 HydrophobicContact CE2-CB 4.16Å; F3-Q210 HydrophobicContact CG-CB 3.83Å; F3-Q210 HydrophobicContact CG-CG 4.26Å |
| 4 | G | 91.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 78.3 Ų | 78.3 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68 | -23.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | G2 I8 P203 D207 | G2-G4 VanDerWaalsContact C-N 3.29Å; G2-G4 PolarHBondContact O-N 3.31Å; G4-I8 VanDerWaalsContact O-CD1 3.28Å; G4-I8 WeakPolarHBondContact O-CD1 3.46Å; G4-I8 WeakPolarHBondContact O-CG1 3.17Å; G4-P203 WeakPolarHBondContact CA-O 3.49Å; G4-P203 WeakPolarHBondContact O-CB 3.42Å; G4-D207 WeakPolarHBondContact CA-OD1 3.42Å; G4-D207 PolarHBondContact N-OD1 2.96Å |
| 5 | R | 91.3 | Very high | 91.8 | Very high | 203 Ų | 203 | 75.1 Ų | 75.1 | 77% | 0.766 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -91.3 | -44.1 | 176.3 | -176.8 | -178.1 | 170.4 | 172.9 | -3.5 | 112.2 | G2 F3 | G2-R5 PolarHBondContact O-N 3.12Å; G2-R5 VanDerWaalsContact O-N 3.11Å; F3-R5 VanDerWaalsContact C-N 3.28Å; F3-R5 PolarHBondContact O-N 3.27Å |
| 6 | D | 94.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 78.3 Ų | 78.3 | 42% | 0.422 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -103.8 | -17.8 | -162.3 | -56.4 | -43 | 0 | 0 | 0 | 112.7 | M1 G2 | M1-D6 WeakPolarHBondContact CA-OD2 3.48Å; M1-D6 WeakPolarHBondContact CB-OD2 3.46Å; G2-D6 PolarHBondContact N-OD2 3.44Å; G2-D6 WeakPolarHBondContact O-CB 3.38Å; G2-D6 PolarHBondContact O-N 3.21Å |
| 7 | L | 94.4 | Very high | 92.4 | Very high | 54 Ų | 54 | 77.2 Ų | 77.2 | 28% | 0.283 | 39% | 0.392 | S | S | . | . | trans | -124.1 | 20.3 | -170.9 | -61 | -179 | 0 | 0 | 0 | 114.5 | F3 N9 S10 L14 | F3-L7 HydrophobicContact CB-CD1 4.47Å; F3-L7 HydrophobicContact CD1-CD1 3.56Å; F3-L7 HydrophobicContact CE1-CD1 3.94Å; F3-L7 HydrophobicContact CG-CD1 4.07Å; F3-L7 WeakPolarHBondContact O-CA 3.46Å; F3-L7 WeakPolarHBondContact O-CB 3.34Å; F3-L7 PolarHBondContact O-N 3.27Å; L7-N9 PolarHBondContact O-N 2.97Å; L7-N9 VanDerWaalsContact O-N 3.1Å; L7-S10 PolarHBondContact O-N 3.45Å; L7-L14 HydrophobicContact CB-CD1 4.45Å; L7-L14 HydrophobicContact CD1-CD2 3.8Å; L7-L14 HydrophobicContact CD1-CG 4.39Å | ||
| 8 | I | 90.9 | Very high | 92.7 | Very high | 56 Ų | 56 | 73.1 Ų | 73.1 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -39.7 | -179.2 | -61 | 174.3 | 0 | 0 | 0 | 112.4 | G4 A202 P203 L206 | G4-I8 VanDerWaalsContact O-CD1 3.28Å; G4-I8 WeakPolarHBondContact O-CD1 3.46Å; G4-I8 WeakPolarHBondContact O-CG1 3.17Å; I8-A202 HydrophobicContact CG2-CB 4.41Å; I8-P203 HydrophobicContact CD1-CG 4.02Å; I8-P203 HydrophobicContact CG1-CG 4.4Å; I8-L206 HydrophobicContact CG1-CD1 4.45Å |
| 9 | N | 89.8 | Confident | 93 | Very high | 158 Ų | 158 | 73.2 Ų | 73.2 | 85% | 0.845 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 12.5 | -177.6 | -60.8 | -42.5 | 0 | 0 | 0 | 113.5 | L7 | L7-N9 PolarHBondContact O-N 2.97Å; L7-N9 VanDerWaalsContact O-N 3.1Å |
| 10 | S | 94.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 78.5 Ų | 78.5 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | trans | -111.6 | 35.9 | -168.3 | -57.9 | 0 | 0 | 0 | 0 | 113 | L7 E12 G13 L14 | L7-S10 PolarHBondContact O-N 3.45Å; S10-E12 VanDerWaalsContact C-N 3.33Å; S10-E12 PolarHBondContact O-N 3.48Å; S10-G13 WeakPolarHBondContact O-CA 3.34Å; S10-G13 PolarHBondContact O-N 3.41Å; S10-L14 PolarHBondContact O-N 3.45Å; S10-L14 VanDerWaalsContact O-N 3.07Å | ||
| 11 | H | 94.5 | Very high | 93.4 | Very high | 48 Ų | 48 | 76.7 Ų | 76.7 | 22% | 0.222 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -51.6 | -47.8 | -178.5 | 178 | 64.3 | 0 | 0 | 0 | 113.1 | G13 L14 L15 Y112 H116 | H11-G13 VanDerWaalsContact C-N 3.28Å; H11-G13 PolarHBondContact O-N 3.04Å; H11-L14 PolarHBondContact O-N 3.03Å; H11-L14 VanDerWaalsContact O-N 3.17Å; H11-L15 WeakPolarHBondContact NE2-CD1 3.36Å; H11-L15 WeakPolarHBondContact O-CG 3.42Å; H11-L15 PolarHBondContact O-N 3.24Å; H11-Y112 AromaticContact CE1-CE1 3.58Å; H11-Y112 AromaticContact ND1-CE1 3.47Å; H11-Y112 WeakPolarHBondContact ND1-CE1 3.24Å; H11-Y112 AromaticContact ND1-CZ 3.54Å; H11-Y112 PolarHBondContact ND1-OH 2.96Å; H11-H116 AromaticContact CD2-CE1 3.83Å; H11-H116 AromaticContact CD2-ND1 3.96Å; H11-H116 AromaticContact CE1-CE1 3.94Å; H11-H116 AromaticContact CE1-CG 3.7Å; H11-H116 AromaticContact CE1-ND1 3.46Å; H11-H116 PolarHBondContact CE1-ND1 2.94Å; H11-H116 AromaticContact CG-CE1 3.45Å; H11-H116 VanDerWaalsContact CG-CE1 3.45Å; H11-H116 AromaticContact CG-ND1 3.77Å; H11-H116 AromaticContact CG-NE2 3.74Å; H11-H116 AromaticContact ND1-CD2 3.71Å; H11-H116 AromaticContact ND1-CE1 3.54Å; H11-H116 AromaticContact ND1-CG 3.57Å; H11-H116 AromaticContact ND1-ND1 3.46Å; H11-H116 PolarHBondContact ND1-ND1 3.19Å; H11-H116 AromaticContact ND1-NE2 3.67Å; H11-H116 AromaticContact NE2-ND1 3.77Å |
| 12 | E | 94.8 | Very high | 94.8 | Very high | 142 Ų | 142 | 67.4 Ų | 67.4 | 66% | 0.664 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.8 | -36.7 | 178 | -67.5 | -171.4 | 175.7 | 0 | 0 | 112.7 | S10 L14 L15 K16 | S10-E12 VanDerWaalsContact C-N 3.33Å; S10-E12 PolarHBondContact O-N 3.48Å; E12-L14 VanDerWaalsContact C-N 3.35Å; E12-L15 PolarHBondContact O-N 3.48Å; E12-K16 WeakPolarHBondContact O-CG 3.43Å; E12-K16 PolarHBondContact O-N 3.29Å |
| 13 | G | 95.5 | Very high | 95.3 | Very high | 42 Ų | 42 | 73.6 Ų | 73.6 | 43% | 0.433 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S10 H11 K16 L17 | S10-G13 WeakPolarHBondContact O-CA 3.34Å; S10-G13 PolarHBondContact O-N 3.41Å; H11-G13 VanDerWaalsContact C-N 3.28Å; H11-G13 PolarHBondContact O-N 3.04Å; G13-K16 PolarHBondContact O-N 2.9Å; G13-L17 WeakPolarHBondContact O-CB 3.33Å; G13-L17 PolarHBondContact O-N 3.25Å |
| 14 | L | 96.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 76.8 Ų | 76.8 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70 | -32.7 | 177.3 | -69.6 | 168.6 | 0 | 0 | 0 | 113.1 | F3 L7 S10 H11 E12 Q18 Y112 L206 L209 | F3-L14 HydrophobicContact CD1-CD2 4.44Å; F3-L14 HydrophobicContact CD2-CD2 3.6Å; F3-L14 HydrophobicContact CE1-CD2 4.37Å; F3-L14 HydrophobicContact CE2-CD2 3.52Å; F3-L14 HydrophobicContact CG-CD2 4.08Å; F3-L14 HydrophobicContact CZ-CD2 3.93Å; L7-L14 HydrophobicContact CB-CD1 4.45Å; L7-L14 HydrophobicContact CD1-CD2 3.8Å; L7-L14 HydrophobicContact CD1-CG 4.39Å; S10-L14 PolarHBondContact O-N 3.45Å; S10-L14 VanDerWaalsContact O-N 3.07Å; H11-L14 PolarHBondContact O-N 3.03Å; H11-L14 VanDerWaalsContact O-N 3.17Å; E12-L14 VanDerWaalsContact C-N 3.35Å; L14-Q18 WeakPolarHBondContact O-CG 3.47Å; L14-Q18 PolarHBondContact O-N 2.9Å; L14-Q18 PolarHBondContact O-NE2 2.92Å; L14-Y112 HydrophobicContact CB-CE1 4.42Å; L14-Y112 WeakPolarHBondContact CD1-OH 3.49Å; L14-L206 HydrophobicContact CD1-CD2 3.36Å; L14-L209 HydrophobicContact CD1-CD2 4.45Å; L14-L209 HydrophobicContact CD2-CD2 4.44Å |
| 15 | L | 96.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 77.1 Ų | 77.1 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 171.4 | -67.1 | -173 | 0 | 0 | 0 | 111.3 | H11 E12 L17 Q18 D19 Y112 Q113 | H11-L15 WeakPolarHBondContact NE2-CD1 3.36Å; H11-L15 WeakPolarHBondContact O-CG 3.42Å; H11-L15 PolarHBondContact O-N 3.24Å; E12-L15 PolarHBondContact O-N 3.48Å; L15-L17 PolarHBondContact O-N 2.86Å; L15-Q18 PolarHBondContact O-N 2.79Å; L15-D19 PolarHBondContact O-N 3.46Å; L15-Y112 HydrophobicContact CD2-CD1 4.01Å; L15-Y112 HydrophobicContact CD2-CE1 3.94Å; L15-Q113 HydrophobicContact CD1-CG 4.44Å; L15-Q113 HydrophobicContact CD2-CG 3.49Å; L15-Q113 VanDerWaalsContact CD2-CG 3.49Å |
| 16 | K | 97.2 | Very high | 96 | Very high | 126 Ų | 126 | 71 Ų | 71 | 55% | 0.548 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 174.1 | -74.8 | 173.1 | -178.9 | 171.7 | 0 | 110.4 | E12 G13 Q18 D19 W20 | E12-K16 WeakPolarHBondContact O-CG 3.43Å; E12-K16 PolarHBondContact O-N 3.29Å; G13-K16 PolarHBondContact O-N 2.9Å; K16-Q18 VanDerWaalsContact C-N 3.32Å; K16-Q18 PolarHBondContact O-N 3.38Å; K16-D19 WeakPolarHBondContact O-CA 3.31Å; K16-D19 WeakPolarHBondContact O-CB 3.35Å; K16-D19 PolarHBondContact O-N 3.13Å; K16-W20 PolarHBondContact O-N 3.14Å |
| 17 | L | 96.7 | Very high | 96.2 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -51.8 | -50.4 | 177.7 | 176.1 | 62.4 | 0 | 0 | 0 | 111.6 | F3 G13 L15 D19 W20 E21 | F3-L17 HydrophobicContact CE2-CD2 4.4Å; F3-L17 HydrophobicContact CZ-CD2 3.76Å; G13-L17 WeakPolarHBondContact O-CB 3.33Å; G13-L17 PolarHBondContact O-N 3.25Å; L15-L17 PolarHBondContact O-N 2.86Å; L17-D19 VanDerWaalsContact C-N 3.3Å; L17-D19 PolarHBondContact O-N 3.18Å; L17-W20 WeakPolarHBondContact O-CB 3.43Å; L17-W20 PolarHBondContact O-N 3.38Å; L17-E21 HydrophobicContact CD1-CG 4.17Å; L17-E21 WeakPolarHBondContact O-CG 3.43Å; L17-E21 PolarHBondContact O-N 3.05Å |
| 18 | Q | 97.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -36.2 | 178.9 | -71.9 | 172.9 | 89.2 | 0 | 0 | 112.7 | L14 L15 K16 L22 K109 | L14-Q18 WeakPolarHBondContact O-CG 3.47Å; L14-Q18 PolarHBondContact O-N 2.9Å; L14-Q18 PolarHBondContact O-NE2 2.92Å; L15-Q18 PolarHBondContact O-N 2.79Å; K16-Q18 VanDerWaalsContact C-N 3.32Å; K16-Q18 PolarHBondContact O-N 3.38Å; Q18-L22 WeakPolarHBondContact O-CB 3.47Å; Q18-L22 WeakPolarHBondContact O-CG 3.29Å; Q18-L22 PolarHBondContact O-N 3.09Å; Q18-K109 HydrophobicContact CB-CD 4.27Å; Q18-K109 HydrophobicContact CB-CG 4.33Å |
| 19 | D | 97.4 | Very high | 96.8 | Very high | 76 Ų | 76 | 70.4 Ų | 70.4 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 173.7 | -79.2 | -41.4 | 0 | 0 | 0 | 112.8 | L15 K16 L17 L22 K23 K109 | L15-D19 PolarHBondContact O-N 3.46Å; K16-D19 WeakPolarHBondContact O-CA 3.31Å; K16-D19 WeakPolarHBondContact O-CB 3.35Å; K16-D19 PolarHBondContact O-N 3.13Å; L17-D19 VanDerWaalsContact C-N 3.3Å; L17-D19 PolarHBondContact O-N 3.18Å; D19-L22 PolarHBondContact O-N 3.46Å; D19-K23 WeakPolarHBondContact O-CB 3.21Å; D19-K23 PolarHBondContact O-N 3.32Å; D19-K109 IonicContact OD1-NZ 3.88Å; D19-K109 PolarHBondContact OD1-NZ 2.79Å; D19-K109 IonicContact OD2-NZ 3.66Å; D19-K109 PolarHBondContact OD2-NZ 2.94Å |
| 20 | W | 97.9 | Very high | 97.2 | Very high | 179 Ų | 179 | 71.7 Ų | 71.7 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.2 | -47.4 | 175.4 | -79.1 | 104.1 | 0 | 0 | 0 | 111.5 | K16 L17 K23 L24 | K16-W20 PolarHBondContact O-N 3.14Å; L17-W20 WeakPolarHBondContact O-CB 3.43Å; L17-W20 PolarHBondContact O-N 3.38Å; W20-K23 PolarHBondContact O-N 2.98Å; W20-L24 PolarHBondContact O-N 2.73Å |
| 21 | E | 97.6 | Very high | 97.3 | Very high | 41 Ų | 41 | 75.4 Ų | 75.4 | 19% | 0.192 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66 | -39.3 | 179.1 | -66.9 | 175.8 | 140.3 | 0 | 0 | 112.1 | L17 K23 L24 L25 K105 | L17-E21 HydrophobicContact CD1-CG 4.17Å; L17-E21 WeakPolarHBondContact O-CG 3.43Å; L17-E21 PolarHBondContact O-N 3.05Å; E21-K23 VanDerWaalsContact C-N 3.35Å; E21-K23 PolarHBondContact O-N 3.14Å; E21-L24 WeakPolarHBondContact O-CB 3.41Å; E21-L24 PolarHBondContact O-N 2.76Å; E21-L25 WeakPolarHBondContact O-CG 3.33Å; E21-L25 PolarHBondContact O-N 3.33Å; E21-K105 HydrophobicContact CB-CD 4.46Å; E21-K105 VanDerWaalsContact CD-NZ 3.32Å; E21-K105 IonicContact OE1-NZ 2.74Å; E21-K105 WeakPolarHBondContact OE2-CE 3.43Å; E21-K105 IonicContact OE2-NZ 3.16Å; E21-K105 PolarHBondContact OE2-NZ 3.01Å |
| 22 | L | 98.4 | Very high | 97.5 | Very high | 20 Ų | 20 | 73.4 Ų | 73.4 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 172.8 | -82 | 168.2 | 0 | 0 | 0 | 111.7 | Q18 D19 L24 L25 E26 I102 K105 Q106 K109 | Q18-L22 WeakPolarHBondContact O-CB 3.47Å; Q18-L22 WeakPolarHBondContact O-CG 3.29Å; Q18-L22 PolarHBondContact O-N 3.09Å; D19-L22 PolarHBondContact O-N 3.46Å; L22-L24 VanDerWaalsContact C-N 3.3Å; L22-L24 PolarHBondContact O-N 3.45Å; L22-L25 PolarHBondContact O-N 3.26Å; L22-E26 PolarHBondContact O-N 3.09Å; L22-I102 HydrophobicContact CD2-CG2 4.31Å; L22-K105 HydrophobicContact CD2-CB 3.9Å; L22-K105 HydrophobicContact CD2-CD 3.88Å; L22-K105 HydrophobicContact CD2-CG 3.9Å; L22-K105 HydrophobicContact CG-CD 3.98Å; L22-K105 HydrophobicContact CG-CG 4.12Å; L22-Q106 HydrophobicContact CD1-CG 4.16Å; L22-Q106 HydrophobicContact CD2-CG 3.72Å; L22-K109 HydrophobicContact CD1-CD 4.29Å |
| 23 | K | 97.9 | Very high | 97.7 | Very high | 144 Ų | 144 | 69.8 Ų | 69.8 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 176.5 | -173.2 | 178.8 | 179.5 | -177.5 | 0 | 111.9 | D19 W20 E21 T27 | D19-K23 WeakPolarHBondContact O-CB 3.21Å; D19-K23 PolarHBondContact O-N 3.32Å; W20-K23 PolarHBondContact O-N 2.98Å; E21-K23 VanDerWaalsContact C-N 3.35Å; E21-K23 PolarHBondContact O-N 3.14Å; K23-T27 PolarHBondContact O-N 3.42Å; K23-T27 VanDerWaalsContact O-N 3.1Å; K23-T27 PolarHBondContact O-OG1 3.15Å |
| 24 | L | 97.8 | Very high | 97.8 | Very high | 101 Ų | 101 | 72.6 Ų | 72.6 | 53% | 0.529 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -50.8 | 174.2 | 177 | 61.8 | 0 | 0 | 0 | 111.1 | W20 E21 L22 E26 T27 V28 | W20-L24 PolarHBondContact O-N 2.73Å; E21-L24 WeakPolarHBondContact O-CB 3.41Å; E21-L24 PolarHBondContact O-N 2.76Å; L22-L24 VanDerWaalsContact C-N 3.3Å; L22-L24 PolarHBondContact O-N 3.45Å; L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 2.99Å; L24-T27 WeakPolarHBondContact O-CA 3.5Å; L24-T27 VanDerWaalsContact O-CB 3.3Å; L24-T27 WeakPolarHBondContact O-CB 3.2Å; L24-T27 PolarHBondContact O-N 3.45Å; L24-V28 HydrophobicContact CD1-CG2 4.41Å; L24-V28 WeakPolarHBondContact O-CG2 3.35Å; L24-V28 PolarHBondContact O-N 3.09Å |
| 25 | L | 98.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 179.3 | -67.7 | 175.6 | 0 | 0 | 0 | 112.3 | E21 L22 T27 V28 K29 L98 L101 I102 K105 L220 | E21-L25 WeakPolarHBondContact O-CG 3.33Å; E21-L25 PolarHBondContact O-N 3.33Å; L22-L25 PolarHBondContact O-N 3.26Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.34Å; L25-V28 PolarHBondContact O-N 3.11Å; L25-K29 WeakPolarHBondContact O-CB 3.31Å; L25-K29 PolarHBondContact O-N 2.92Å; L25-L98 HydrophobicContact CB-CD1 4.48Å; L25-L98 HydrophobicContact CD2-CD1 3.85Å; L25-L101 HydrophobicContact CD1-CG 4.42Å; L25-L101 HydrophobicContact CD2-CD2 4.22Å; L25-I102 HydrophobicContact CB-CD1 4.02Å; L25-I102 HydrophobicContact CB-CG1 3.59Å; L25-I102 HydrophobicContact CD1-CG1 4.09Å; L25-I102 HydrophobicContact CG-CG1 4.46Å; L25-K105 HydrophobicContact CD1-CD 3.52Å; L25-L220 HydrophobicContact CD2-CD1 3.72Å; L25-L220 HydrophobicContact CD2-CD2 3.77Å; L25-L220 HydrophobicContact CD2-CG 4.26Å |
| 26 | E | 98.1 | Very high | 97.9 | Very high | 74 Ų | 74 | 74.1 Ų | 74.1 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 174.5 | -74.3 | -68.3 | -179.2 | 0 | 0 | 112.7 | L22 L24 K29 R30 I102 | L22-E26 PolarHBondContact O-N 3.09Å; L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 2.99Å; E26-K29 IonicContact OE2-NZ 2.78Å; E26-R30 WeakPolarHBondContact O-CB 3.25Å; E26-R30 PolarHBondContact O-N 3.38Å; E26-I102 HydrophobicContact CG-CD1 4.42Å; E26-I102 WeakPolarHBondContact OE1-CG2 3.19Å |
| 27 | T | 98.3 | Very high | 97.9 | Very high | 84 Ų | 84 | 73.7 Ų | 73.7 | 52% | 0.515 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 174.5 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | K23 L24 L25 K29 R30 F31 | K23-T27 PolarHBondContact O-N 3.42Å; K23-T27 VanDerWaalsContact O-N 3.1Å; K23-T27 PolarHBondContact O-OG1 3.15Å; L24-T27 WeakPolarHBondContact O-CA 3.5Å; L24-T27 VanDerWaalsContact O-CB 3.3Å; L24-T27 WeakPolarHBondContact O-CB 3.2Å; L24-T27 PolarHBondContact O-N 3.45Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.34Å; T27-K29 VanDerWaalsContact C-N 3.33Å; T27-K29 PolarHBondContact O-N 2.95Å; T27-R30 PolarHBondContact O-N 3.31Å; T27-F31 PolarHBondContact O-N 2.9Å |
| 28 | V | 98.2 | Very high | 97.9 | Very high | 30 Ų | 30 | 73.7 Ų | 73.7 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | L24 L25 R30 F31 M32 L98 L224 | L24-V28 HydrophobicContact CD1-CG2 4.41Å; L24-V28 WeakPolarHBondContact O-CG2 3.35Å; L24-V28 PolarHBondContact O-N 3.09Å; L25-V28 PolarHBondContact O-N 3.11Å; V28-R30 PolarHBondContact O-N 3.21Å; V28-F31 WeakPolarHBondContact O-CB 3.46Å; V28-F31 PolarHBondContact O-N 3.4Å; V28-M32 HydrophobicContact CG1-CE 3.95Å; V28-M32 HydrophobicContact CG1-SD 4.37Å; V28-M32 PolarHBondContact O-N 3.19Å; V28-L98 HydrophobicContact CB-CD2 4.16Å; V28-L98 HydrophobicContact CG1-CD2 3.73Å; V28-L224 HydrophobicContact CG1-CD2 4.18Å |
| 29 | K | 98.4 | Very high | 97.9 | Very high | 64 Ų | 64 | 74.2 Ų | 74.2 | 28% | 0.278 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 177.2 | 179.9 | -177.4 | 167.3 | -167.3 | 0 | 112 | L25 E26 T27 F31 M32 T33 L95 L98 I102 | L25-K29 WeakPolarHBondContact O-CB 3.31Å; L25-K29 PolarHBondContact O-N 2.92Å; E26-K29 IonicContact OE2-NZ 2.78Å; T27-K29 VanDerWaalsContact C-N 3.33Å; T27-K29 PolarHBondContact O-N 2.95Å; K29-F31 VanDerWaalsContact C-N 3.33Å; K29-F31 PolarHBondContact O-N 3.28Å; K29-M32 PolarHBondContact O-N 3.23Å; K29-T33 WeakPolarHBondContact O-CB 3.39Å; K29-T33 PolarHBondContact O-N 3.08Å; K29-T33 PolarHBondContact O-OG1 3.33Å; K29-L95 HydrophobicContact CG-CD1 3.78Å; K29-L98 HydrophobicContact CB-CD2 3.74Å; K29-L98 HydrophobicContact CB-CG 4.23Å; K29-I102 HydrophobicContact CB-CD1 4.12Å; K29-I102 HydrophobicContact CD-CD1 3.73Å |
| 30 | R | 98 | Very high | 97.9 | Very high | 184 Ų | 184 | 74.5 Ų | 74.5 | 69% | 0.694 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.1 | -43.3 | 175.7 | -172.2 | -177.6 | -62.5 | -175.1 | -0.2 | 111.3 | E26 T27 V28 T33 L34 | E26-R30 WeakPolarHBondContact O-CB 3.25Å; E26-R30 PolarHBondContact O-N 3.38Å; T27-R30 PolarHBondContact O-N 3.31Å; V28-R30 PolarHBondContact O-N 3.21Å; R30-T33 PolarHBondContact O-N 2.92Å; R30-L34 WeakPolarHBondContact O-CG 3.44Å; R30-L34 PolarHBondContact O-N 3.47Å |
| 31 | F | 98.2 | Very high | 97.9 | Very high | 125 Ų | 125 | 70.7 Ų | 70.7 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 176.3 | 176.7 | -95.2 | 0 | 0 | 0 | 111.9 | T27 V28 K29 T33 L34 R35 Y227 | T27-F31 PolarHBondContact O-N 2.9Å; V28-F31 WeakPolarHBondContact O-CB 3.46Å; V28-F31 PolarHBondContact O-N 3.4Å; K29-F31 VanDerWaalsContact C-N 3.33Å; K29-F31 PolarHBondContact O-N 3.28Å; F31-T33 VanDerWaalsContact C-N 3.33Å; F31-T33 PolarHBondContact O-N 2.96Å; F31-L34 WeakPolarHBondContact O-CB 3.46Å; F31-L34 PolarHBondContact O-N 3.28Å; F31-R35 PolarHBondContact O-N 2.89Å; F31-Y227 HydrophobicContact CE1-CE1 4.41Å; F31-Y227 AromaticContact CE1-CZ 3.92Å; F31-Y227 VanDerWaalsContact CE1-OH 3.3Å; F31-Y227 WeakPolarHBondContact CE1-OH 3.31Å |
| 32 | M | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 176.6 | -71.6 | -176.1 | 174.9 | 0 | 0 | 112.5 | V28 K29 L34 R35 V36 L95 L98 I223 L224 Y227 | V28-M32 HydrophobicContact CG1-CE 3.95Å; V28-M32 HydrophobicContact CG1-SD 4.37Å; V28-M32 PolarHBondContact O-N 3.19Å; K29-M32 PolarHBondContact O-N 3.23Å; M32-L34 VanDerWaalsContact C-N 3.34Å; M32-L34 PolarHBondContact O-N 2.97Å; M32-R35 WeakPolarHBondContact O-CB 3.37Å; M32-R35 PolarHBondContact O-N 3.49Å; M32-V36 WeakPolarHBondContact O-CG2 3.31Å; M32-V36 PolarHBondContact O-N 3.43Å; M32-L95 HydrophobicContact CB-CD1 3.97Å; M32-L98 HydrophobicContact SD-CD2 3.78Å; M32-I223 HydrophobicContact CE-CG2 4.14Å; M32-L224 HydrophobicContact CE-CD2 3.68Å; M32-Y227 HydrophobicContact CE-CD2 3.9Å; M32-Y227 HydrophobicContact CE-CG 3.78Å; M32-Y227 HydrophobicContact CG-CD2 3.92Å; M32-Y227 HydrophobicContact CG-CE2 4.08Å; M32-Y227 HydrophobicContact SD-CD2 4.3Å |
| 33 | T | 98.1 | Very high | 97.9 | Very high | 67 Ų | 67 | 73 Ų | 73 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.5 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | K29 R30 F31 R35 K37 | K29-T33 WeakPolarHBondContact O-CB 3.39Å; K29-T33 PolarHBondContact O-N 3.08Å; K29-T33 PolarHBondContact O-OG1 3.33Å; R30-T33 PolarHBondContact O-N 2.92Å; F31-T33 VanDerWaalsContact C-N 3.33Å; F31-T33 PolarHBondContact O-N 2.96Å; T33-R35 VanDerWaalsContact C-N 3.34Å; T33-K37 PolarHBondContact O-N 3.49Å; T33-K37 VanDerWaalsContact O-N 3.09Å |
| 34 | L | 97.8 | Very high | 97.8 | Very high | 100 Ų | 100 | 68.6 Ų | 68.6 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 174.6 | -72.9 | 171.8 | 0 | 0 | 0 | 111.1 | R30 F31 M32 K37 S38 | R30-L34 WeakPolarHBondContact O-CG 3.44Å; R30-L34 PolarHBondContact O-N 3.47Å; F31-L34 WeakPolarHBondContact O-CB 3.46Å; F31-L34 PolarHBondContact O-N 3.28Å; M32-L34 VanDerWaalsContact C-N 3.34Å; M32-L34 PolarHBondContact O-N 2.97Å; L34-K37 WeakPolarHBondContact O-CB 3.48Å; L34-K37 PolarHBondContact O-N 3.42Å; L34-S38 PolarHBondContact O-N 3.19Å; L34-S38 PolarHBondContact O-OG 3.03Å; L34-S38 VanDerWaalsContact O-OG 3.1Å |
| 35 | R | 97.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 69.2 Ų | 69.2 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60 | -49 | 176.4 | -178.6 | 62.1 | -173.8 | -85.2 | -0.3 | 112.3 | F31 M32 T33 K37 S38 D39 L90 Y227 S231 | F31-R35 PolarHBondContact O-N 2.89Å; M32-R35 WeakPolarHBondContact O-CB 3.37Å; M32-R35 PolarHBondContact O-N 3.49Å; T33-R35 VanDerWaalsContact C-N 3.34Å; R35-K37 VanDerWaalsContact C-N 3.26Å; R35-K37 PolarHBondContact O-N 3.06Å; R35-S38 WeakPolarHBondContact O-CB 3.5Å; R35-S38 PolarHBondContact O-N 2.89Å; R35-S38 VanDerWaalsContact O-N 3.12Å; R35-D39 IonicContact CZ-OD1 2.6Å; R35-D39 IonicContact CZ-OD2 3.81Å; R35-D39 IonicContact NE-OD1 2.73Å; R35-D39 PolarHBondContact NE-OD1 3.33Å; R35-D39 IonicContact NE-OD2 2.9Å; R35-D39 PolarHBondContact NE-OD2 2.92Å; R35-D39 VanDerWaalsContact NE-OD2 3.08Å; R35-D39 IonicContact NH2-OD1 3.09Å; R35-D39 IonicContact NH2-OD2 2.84Å; R35-D39 PolarHBondContact O-N 3.15Å; R35-L90 HydrophobicContact CG-CD1 4.1Å; R35-Y227 HydrophobicContact CB-CE2 4.3Å; R35-Y227 HydrophobicContact CG-CE2 4.02Å; R35-Y227 PolarHBondContact NH1-OH 3.23Å; R35-S231 PolarHBondContact NH1-OG 2.96Å; R35-S231 PolarHBondContact NH2-O 2.84Å |
| 36 | V | 98.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 69.4 Ų | 69.4 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -53.8 | -45.9 | 174.6 | 166.9 | 0 | 0 | 0 | 0 | 110.8 | M32 D39 K40 L90 N91 L95 | M32-V36 WeakPolarHBondContact O-CG2 3.31Å; M32-V36 PolarHBondContact O-N 3.43Å; V36-D39 PolarHBondContact O-N 3.34Å; V36-K40 HydrophobicContact CG1-CD 4.48Å; V36-K40 WeakPolarHBondContact O-CG 3.28Å; V36-K40 PolarHBondContact O-N 3.07Å; V36-L90 HydrophobicContact CG2-CB 3.63Å; V36-L90 HydrophobicContact CG2-CD1 4.47Å; V36-N91 HydrophobicContact CG1-CB 3.95Å; V36-N91 HydrophobicContact CG2-CB 4.17Å; V36-L95 HydrophobicContact CG2-CD2 4.35Å |
| 37 | K | 97.4 | Very high | 97.4 | Very high | 117 Ų | 117 | 66.4 Ų | 66.4 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 178 | -178.5 | 178.5 | 170.3 | -179.4 | 0 | 111.6 | T33 L34 R35 K40 E41 | T33-K37 PolarHBondContact O-N 3.49Å; T33-K37 VanDerWaalsContact O-N 3.09Å; L34-K37 WeakPolarHBondContact O-CB 3.48Å; L34-K37 PolarHBondContact O-N 3.42Å; R35-K37 VanDerWaalsContact C-N 3.26Å; R35-K37 PolarHBondContact O-N 3.06Å; K37-K40 PolarHBondContact O-N 3.01Å; K37-E41 WeakPolarHBondContact CE-OE1 3.46Å; K37-E41 HydrophobicContact CG-CG 4.49Å; K37-E41 IonicContact NZ-OE1 3.97Å; K37-E41 WeakPolarHBondContact O-CB 3.44Å; K37-E41 WeakPolarHBondContact O-CG 3.35Å; K37-E41 PolarHBondContact O-N 2.92Å |
| 38 | S | 97.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 64.7 Ų | 64.7 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.3 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | L34 R35 E41 Y42 | L34-S38 PolarHBondContact O-N 3.19Å; L34-S38 PolarHBondContact O-OG 3.03Å; L34-S38 VanDerWaalsContact O-OG 3.1Å; R35-S38 WeakPolarHBondContact O-CB 3.5Å; R35-S38 PolarHBondContact O-N 2.89Å; R35-S38 VanDerWaalsContact O-N 3.12Å; S38-E41 PolarHBondContact O-N 2.76Å; S38-Y42 WeakPolarHBondContact O-CB 3.44Å; S38-Y42 PolarHBondContact O-N 3.29Å |
| 39 | D | 97.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 68.8 Ų | 68.8 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 179.9 | -66.7 | -5.4 | 0 | 0 | 0 | 110.9 | R35 V36 Y42 A43 A87 | R35-D39 IonicContact CZ-OD1 2.6Å; R35-D39 IonicContact CZ-OD2 3.81Å; R35-D39 IonicContact NE-OD1 2.73Å; R35-D39 PolarHBondContact NE-OD1 3.33Å; R35-D39 IonicContact NE-OD2 2.9Å; R35-D39 PolarHBondContact NE-OD2 2.92Å; R35-D39 VanDerWaalsContact NE-OD2 3.08Å; R35-D39 IonicContact NH2-OD1 3.09Å; R35-D39 IonicContact NH2-OD2 2.84Å; R35-D39 PolarHBondContact O-N 3.15Å; V36-D39 PolarHBondContact O-N 3.34Å; D39-Y42 PolarHBondContact O-N 3.07Å; D39-A43 VanDerWaalsContact O-CB 3.32Å; D39-A43 WeakPolarHBondContact O-CB 3.27Å; D39-A43 PolarHBondContact O-N 3Å; D39-A87 HydrophobicContact CB-CB 3.8Å |
| 40 | K | 97.4 | Very high | 96.4 | Very high | 82 Ų | 82 | 66 Ų | 66 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 171.7 | -74.1 | -171.4 | 179.2 | -163.3 | 0 | 113.1 | V36 K37 A44 A87 D88 | V36-K40 HydrophobicContact CG1-CD 4.48Å; V36-K40 WeakPolarHBondContact O-CG 3.28Å; V36-K40 PolarHBondContact O-N 3.07Å; K37-K40 PolarHBondContact O-N 3.01Å; K40-A44 WeakPolarHBondContact O-CB 3.45Å; K40-A44 PolarHBondContact O-N 3.24Å; K40-A87 HydrophobicContact CD-CB 4.47Å; K40-A87 HydrophobicContact CG-CB 3.54Å; K40-D88 WeakPolarHBondContact CE-OD1 3.33Å; K40-D88 IonicContact NZ-OD1 3.83Å; K40-D88 PolarHBondContact NZ-OD1 3.01Å |
| 41 | E | 97.5 | Very high | 95.7 | Very high | 99 Ų | 99 | 63.7 Ų | 63.7 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 177.6 | -75.1 | 175.8 | 175.9 | 0 | 0 | 110.9 | K37 S38 A44 L45 | K37-E41 WeakPolarHBondContact CE-OE1 3.46Å; K37-E41 HydrophobicContact CG-CG 4.49Å; K37-E41 IonicContact NZ-OE1 3.97Å; K37-E41 WeakPolarHBondContact O-CB 3.44Å; K37-E41 WeakPolarHBondContact O-CG 3.35Å; K37-E41 PolarHBondContact O-N 2.92Å; S38-E41 PolarHBondContact O-N 2.76Å; E41-A44 PolarHBondContact O-N 3.33Å; E41-L45 WeakPolarHBondContact O-CG 3.36Å; E41-L45 PolarHBondContact O-N 3.42Å |
| 42 | Y | 97.5 | Very high | 94.7 | Very high | 109 Ų | 109 | 64.9 Ų | 64.9 | 43% | 0.427 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.5 | -174.6 | -126.2 | 0 | 0 | 0 | 112 | S38 D39 A44 L45 L46 M83 | S38-Y42 WeakPolarHBondContact O-CB 3.44Å; S38-Y42 PolarHBondContact O-N 3.29Å; D39-Y42 PolarHBondContact O-N 3.07Å; Y42-A44 VanDerWaalsContact C-N 3.32Å; Y42-A44 PolarHBondContact O-N 3.36Å; Y42-L45 PolarHBondContact O-N 3.35Å; Y42-L46 HydrophobicContact CD1-CD1 4.1Å; Y42-L46 HydrophobicContact CE1-CD1 3.72Å; Y42-L46 HydrophobicContact CE1-CG 4.45Å; Y42-L46 HydrophobicContact CE2-CD1 4.35Å; Y42-L46 HydrophobicContact CE2-CD2 4.29Å; Y42-L46 HydrophobicContact CE2-CG 4.2Å; Y42-L46 WeakPolarHBondContact O-CG 3.49Å; Y42-L46 PolarHBondContact O-N 3.48Å; Y42-M83 HydrophobicContact CD1-CG 4.02Å; Y42-M83 HydrophobicContact CD1-SD 4.4Å; Y42-M83 HydrophobicContact CE1-CG 4.22Å |
| 43 | A | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D39 L46 L47 G80 M83 R84 | D39-A43 VanDerWaalsContact O-CB 3.32Å; D39-A43 WeakPolarHBondContact O-CB 3.27Å; D39-A43 PolarHBondContact O-N 3Å; A43-L46 PolarHBondContact O-N 3.22Å; A43-L47 VanDerWaalsContact O-CG 3.31Å; A43-L47 WeakPolarHBondContact O-CG 3.5Å; A43-L47 PolarHBondContact O-N 3.07Å; A43-G80 VanDerWaalsContact CB-O 3.25Å; A43-G80 WeakPolarHBondContact CB-O 3.4Å; A43-M83 HydrophobicContact CB-CB 3.97Å; A43-R84 HydrophobicContact CB-CB 3.98Å |
| 44 | A | 96.4 | Very high | 91.3 | Very high | 51 Ų | 51 | 70.1 Ų | 70.1 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | K40 E41 Y42 S48 | K40-A44 WeakPolarHBondContact O-CB 3.45Å; K40-A44 PolarHBondContact O-N 3.24Å; E41-A44 PolarHBondContact O-N 3.33Å; Y42-A44 VanDerWaalsContact C-N 3.32Å; Y42-A44 PolarHBondContact O-N 3.36Å; A44-S48 VanDerWaalsContact O-CB 3.28Å; A44-S48 WeakPolarHBondContact O-CB 3.45Å; A44-S48 PolarHBondContact O-N 2.88Å |
| 45 | L | 96.8 | Very high | 89.2 | Confident | 114 Ų | 114 | 74.6 Ų | 74.6 | 60% | 0.597 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.9 | -45.8 | 175.7 | -70.7 | 171.3 | 0 | 0 | 0 | 111.5 | E41 Y42 L47 S48 M49 | E41-L45 WeakPolarHBondContact O-CG 3.36Å; E41-L45 PolarHBondContact O-N 3.42Å; Y42-L45 PolarHBondContact O-N 3.35Å; L45-L47 PolarHBondContact O-N 3.31Å; L45-S48 PolarHBondContact O-N 2.69Å; L45-M49 WeakPolarHBondContact O-CG 3.39Å; L45-M49 PolarHBondContact O-N 2.86Å |
| 46 | L | 95.4 | Very high | 87.1 | Confident | 13 Ų | 13 | 79 Ų | 79 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59 | -47.1 | 176.8 | -70.9 | 174.8 | 0 | 0 | 0 | 111.8 | Y42 A43 S48 M49 T50 T76 L79 | Y42-L46 HydrophobicContact CD1-CD1 4.1Å; Y42-L46 HydrophobicContact CE1-CD1 3.72Å; Y42-L46 HydrophobicContact CE1-CG 4.45Å; Y42-L46 HydrophobicContact CE2-CD1 4.35Å; Y42-L46 HydrophobicContact CE2-CD2 4.29Å; Y42-L46 HydrophobicContact CE2-CG 4.2Å; Y42-L46 WeakPolarHBondContact O-CG 3.49Å; Y42-L46 PolarHBondContact O-N 3.48Å; A43-L46 PolarHBondContact O-N 3.22Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 2.97Å; L46-M49 WeakPolarHBondContact O-CB 3.35Å; L46-M49 PolarHBondContact O-N 3.47Å; L46-T50 PolarHBondContact O-N 3Å; L46-T76 HydrophobicContact CD2-CG2 4.01Å; L46-L79 HydrophobicContact CD1-CB 4.36Å; L46-L79 HydrophobicContact CD1-CD2 4.01Å; L46-L79 HydrophobicContact CD1-CG 3.87Å |
| 47 | L | 94.6 | Very high | 84.9 | Confident | 11 Ų | 11 | 87.2 Ų | 87.2 | 6% | 0.058 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.8 | -30.5 | 179.8 | -66.4 | 167.3 | 0 | 0 | 0 | 112.6 | A43 L45 M49 T50 Q51 E77 R84 | A43-L47 VanDerWaalsContact O-CG 3.31Å; A43-L47 WeakPolarHBondContact O-CG 3.5Å; A43-L47 PolarHBondContact O-N 3.07Å; L45-L47 PolarHBondContact O-N 3.31Å; L47-M49 VanDerWaalsContact C-N 3.34Å; L47-T50 PolarHBondContact O-N 3.46Å; L47-T50 PolarHBondContact O-OG1 3.44Å; L47-Q51 WeakPolarHBondContact O-CG 2.89Å; L47-Q51 PolarHBondContact O-N 3.38Å; L47-Q51 VanDerWaalsContact O-N 3.15Å; L47-E77 HydrophobicContact CD2-CB 4.44Å; L47-E77 HydrophobicContact CD2-CG 3.55Å; L47-R84 VanDerWaalsContact CD1-CZ 3.48Å |
| 48 | S | 93.1 | Very high | 82.8 | Confident | 49 Ų | 49 | 86.7 Ų | 86.7 | 34% | 0.343 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.8 | -36.1 | 172.6 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | A44 L45 L46 T50 Q52 | A44-S48 VanDerWaalsContact O-CB 3.28Å; A44-S48 WeakPolarHBondContact O-CB 3.45Å; A44-S48 PolarHBondContact O-N 2.88Å; L45-S48 PolarHBondContact O-N 2.69Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 2.97Å; S48-T50 VanDerWaalsContact C-N 3.34Å; S48-T50 PolarHBondContact O-N 3.34Å; S48-Q52 WeakPolarHBondContact O-CG 3.28Å; S48-Q52 PolarHBondContact O-N 2.93Å |
| 49 | M | 90.8 | Very high | 80.9 | Confident | 116 Ų | 116 | 87 Ų | 87 | 57% | 0.571 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 175.1 | -72 | 170.7 | 55.6 | 0 | 0 | 111.6 | L45 L46 L47 | L45-M49 WeakPolarHBondContact O-CG 3.39Å; L45-M49 PolarHBondContact O-N 2.86Å; L46-M49 WeakPolarHBondContact O-CB 3.35Å; L46-M49 PolarHBondContact O-N 3.47Å; L47-M49 VanDerWaalsContact C-N 3.34Å |
| 50 | T | 89.1 | Confident | 79.2 | Confident | 5 Ų | 5 | 94 Ų | 94 | 3% | 0.031 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -74 | -36.2 | -178.1 | 60 | 0 | 0 | 0 | 0 | 112.6 | L46 L47 S48 Q52 T53 E54 I73 T76 E77 | L46-T50 PolarHBondContact O-N 3Å; L47-T50 PolarHBondContact O-N 3.46Å; L47-T50 PolarHBondContact O-OG1 3.44Å; S48-T50 VanDerWaalsContact C-N 3.34Å; S48-T50 PolarHBondContact O-N 3.34Å; T50-Q52 VanDerWaalsContact C-N 3.28Å; T50-Q52 PolarHBondContact O-N 2.92Å; T50-T53 WeakPolarHBondContact CA-OG1 3.4Å; T50-T53 PolarHBondContact O-N 3.5Å; T50-T53 VanDerWaalsContact O-N 3.1Å; T50-T53 PolarHBondContact O-OG1 2.94Å; T50-E54 PolarHBondContact O-N 3.35Å; T50-I73 HydrophobicContact CG2-CG2 3.93Å; T50-T76 HydrophobicContact CG2-CG2 4.28Å; T50-E77 HydrophobicContact CG2-CB 4.01Å |
| 51 | Q | 84.1 | Confident | 77.8 | Confident | 135 Ų | 135 | 92.7 Ų | 92.7 | 63% | 0.631 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.6 | -29.1 | 176.1 | -75 | 176.6 | -5.6 | 0 | 0 | 114 | L47 T53 | L47-Q51 WeakPolarHBondContact O-CG 2.89Å; L47-Q51 PolarHBondContact O-N 3.38Å; L47-Q51 VanDerWaalsContact O-N 3.15Å; Q51-T53 PolarHBondContact O-N 3.47Å |
| 52 | Q | 76.2 | Confident | 76.7 | Confident | 150 Ų | 150 | 91.6 Ų | 91.6 | 70% | 0.701 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -73 | -20.7 | 176.6 | -70.1 | 176 | 25.9 | 0 | 0 | 112.5 | S48 T50 | S48-Q52 WeakPolarHBondContact O-CG 3.28Å; S48-Q52 PolarHBondContact O-N 2.93Å; T50-Q52 VanDerWaalsContact C-N 3.28Å; T50-Q52 PolarHBondContact O-N 2.92Å |
| 53 | T | 66.7 | Low | 76 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 31% | 0.307 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -92.1 | -20 | -176.4 | 45 | 0 | 0 | 0 | 0 | 114.8 | T50 Q51 K55 I73 | T50-T53 WeakPolarHBondContact CA-OG1 3.4Å; T50-T53 PolarHBondContact O-N 3.5Å; T50-T53 VanDerWaalsContact O-N 3.1Å; T50-T53 PolarHBondContact O-OG1 2.94Å; Q51-T53 PolarHBondContact O-N 3.47Å; T53-K55 PolarHBondContact O-N 3.39Å; T53-K55 VanDerWaalsContact O-N 3.12Å; T53-I73 HydrophobicContact CG2-CD1 4.26Å |
| 54 | E | 58 | Low | 75.4 | Confident | 132 Ų | 132 | 89 Ų | 89 | 62% | 0.617 | 48% | 0.478 | S | S | * | . | trans | -72.7 | -0.4 | -175.5 | -71.9 | -173.7 | 148.1 | 0 | 0 | 115.4 | T50 Q56 | T50-E54 PolarHBondContact O-N 3.35Å; E54-Q56 VanDerWaalsContact C-N 3.27Å; E54-Q56 PolarHBondContact O-N 2.83Å | ||
| 55 | K | 54.5 | Low | 75.1 | Confident | 194 Ų | 194 | 89.6 Ų | 89.6 | 84% | 0.843 | 48% | 0.476 | S | S | * | . | trans | -86.6 | 27.7 | 177.7 | -68.5 | -171.3 | 178 | -177.3 | 0 | 114.4 | T53 E57 | T53-K55 PolarHBondContact O-N 3.39Å; T53-K55 VanDerWaalsContact O-N 3.12Å; K55-E57 PolarHBondContact O-N 2.85Å | ||
| 56 | Q | 52.9 | Low | 74.6 | Confident | 147 Ų | 147 | 85.9 Ų | 85.9 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | trans | -81.4 | 114.6 | 168.4 | -86.6 | -175.7 | -26.5 | 0 | 0 | 109.1 | E54 | E54-Q56 VanDerWaalsContact C-N 3.27Å; E54-Q56 PolarHBondContact O-N 2.83Å | ||
| 57 | E | 51.1 | Low | 74.2 | Confident | 183 Ų | 183 | 91.5 Ų | 91.5 | 86% | 0.855 | 48% | 0.484 | S | S | * | . | trans | -51 | 147.7 | 169.1 | -70.4 | 177.9 | 161.5 | 0 | 0 | 110 | K55 A59 | K55-E57 PolarHBondContact O-N 2.85Å; E57-A59 PolarHBondContact O-N 3.48Å | ||
| 58 | A | 53.3 | Low | 74.1 | Confident | 106 Ų | 106 | 91.5 Ų | 91.5 | 88% | 0.876 | 49% | 0.485 | S | S | * | . | trans | -59.1 | 98.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 59 | A | 57.6 | Low | 74.1 | Confident | 67 Ų | 67 | 95.7 Ų | 95.7 | 55% | 0.554 | 49% | 0.493 | S | S | * | . | trans | -75.3 | 136.6 | 175 | 0 | 0 | 0 | 0 | 0 | 109.2 | E57 Y61 | E57-A59 PolarHBondContact O-N 3.48Å; A59-Y61 PolarHBondContact O-N 3.3Å | ||
| 60 | D | 61.8 | Low | 74 | Confident | 160 Ų | 160 | 93.1 Ų | 93.1 | 86% | 0.856 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -61 | -13.1 | 176 | -69.3 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 61 | Y | 68.5 | Low | 74.2 | Confident | 56 Ų | 56 | 95.4 Ų | 95.4 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | trans | -129.5 | 126.3 | 177.7 | 168.7 | -102.4 | 0 | 0 | 0 | 111.1 | A59 S63 E257 H260 F261 | A59-Y61 PolarHBondContact O-N 3.3Å; Y61-S63 WeakPolarHBondContact OH-CB 3.43Å; Y61-E257 PolarHBondContact OH-O 3.39Å; Y61-H260 HydrophobicContact CE2-CB 4.27Å; Y61-F261 HydrophobicContact CD2-CB 4.08Å; Y61-F261 HydrophobicContact CD2-CD2 4.3Å; Y61-F261 HydrophobicContact CE2-CB 3.68Å; Y61-F261 HydrophobicContact CG-CD2 4.27Å | ||
| 62 | V | 74.2 | Confident | 74.7 | Confident | 75 Ų | 75 | 89.9 Ų | 89.9 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | trans | -115.6 | 106.4 | 176.9 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | K67 | V62-K67 HydrophobicContact CG1-CD 4.43Å; V62-K67 HydrophobicContact CG1-CG 3.66Å | ||
| 63 | S | 82.7 | Confident | 75.5 | Confident | 15 Ų | 15 | 84 Ų | 84 | 11% | 0.105 | 45% | 0.445 | C | S | . | . | trans | -74.4 | 166.1 | -179.2 | 93.2 | 0 | 0 | 0 | 0 | 113.3 | Y61 V65 S66 K67 E257 | Y61-S63 WeakPolarHBondContact OH-CB 3.43Å; S63-V65 VanDerWaalsContact C-N 3.32Å; S63-V65 PolarHBondContact OG-N 3.34Å; S63-S66 WeakPolarHBondContact O-CB 3.3Å; S63-S66 PolarHBondContact O-N 3.34Å; S63-S66 PolarHBondContact OG-N 2.97Å; S63-K67 WeakPolarHBondContact O-CG 3.29Å; S63-K67 PolarHBondContact O-N 2.85Å; S63-E257 VanDerWaalsContact CB-CD 3.48Å; S63-E257 WeakPolarHBondContact CB-OE1 3.47Å; S63-E257 PolarHBondContact OG-OE1 2.92Å | ||
| 64 | T | 85.6 | Confident | 76.8 | Confident | 39 Ų | 39 | 89.5 Ų | 89.5 | 24% | 0.239 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -68.9 | -34.9 | 177.8 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | K67 S68 E257 | T64-K67 PolarHBondContact O-N 3.5Å; T64-S68 WeakPolarHBondContact O-CB 3.3Å; T64-S68 PolarHBondContact O-N 3.49Å; T64-S68 PolarHBondContact O-OG 2.87Å; T64-E257 WeakPolarHBondContact CA-OE2 3.43Å; T64-E257 WeakPolarHBondContact CB-OE2 3.45Å; T64-E257 PolarHBondContact N-OE2 3.45Å; T64-E257 PolarHBondContact OG1-OE2 3.47Å |
| 65 | V | 89.5 | Confident | 78.6 | Confident | 64 Ų | 64 | 84.6 Ų | 84.6 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 170.8 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | S63 K67 S68 W69 I252 E257 | S63-V65 VanDerWaalsContact C-N 3.32Å; S63-V65 PolarHBondContact OG-N 3.34Å; V65-K67 PolarHBondContact O-N 3.39Å; V65-S68 PolarHBondContact O-N 2.95Å; V65-W69 VanDerWaalsContact O-CB 3.29Å; V65-W69 WeakPolarHBondContact O-CB 3.49Å; V65-W69 PolarHBondContact O-N 2.89Å; V65-I252 HydrophobicContact CG2-CG2 3.71Å; V65-E257 WeakPolarHBondContact CB-OE1 3.36Å; V65-E257 WeakPolarHBondContact CG2-OE1 3.34Å; V65-E257 PolarHBondContact N-OE2 2.88Å; V65-E257 VanDerWaalsContact N-OE2 3.14Å |
| 66 | S | 87.2 | Confident | 80.6 | Confident | 36 Ų | 36 | 76.6 Ų | 76.6 | 25% | 0.252 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | S63 S68 W69 S70 | S63-S66 WeakPolarHBondContact O-CB 3.3Å; S63-S66 PolarHBondContact O-N 3.34Å; S63-S66 PolarHBondContact OG-N 2.97Å; S66-S68 PolarHBondContact O-N 2.74Å; S66-W69 PolarHBondContact O-N 2.95Å; S66-S70 PolarHBondContact O-N 3.11Å; S66-S70 PolarHBondContact O-OG 3.05Å; S66-S70 VanDerWaalsContact O-OG 3.1Å |
| 67 | K | 87.8 | Confident | 82.7 | Confident | 131 Ų | 131 | 72.5 Ų | 72.5 | 57% | 0.57 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59 | -46.2 | 176.1 | -68.1 | 175.9 | -173.4 | 175.5 | 0 | 112.4 | V62 S63 T64 V65 W69 S70 Q71 | V62-K67 HydrophobicContact CG1-CD 4.43Å; V62-K67 HydrophobicContact CG1-CG 3.66Å; S63-K67 WeakPolarHBondContact O-CG 3.29Å; S63-K67 PolarHBondContact O-N 2.85Å; T64-K67 PolarHBondContact O-N 3.5Å; V65-K67 PolarHBondContact O-N 3.39Å; K67-W69 VanDerWaalsContact C-N 3.33Å; K67-S70 PolarHBondContact O-N 2.64Å; K67-Q71 PolarHBondContact O-N 3.34Å; K67-Q71 VanDerWaalsContact O-N 3.13Å |
| 68 | S | 92.4 | Very high | 84.8 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 179.5 | -56.5 | 0 | 0 | 0 | 0 | 111 | T64 V65 S66 Q71 V72 S248 I252 | T64-S68 WeakPolarHBondContact O-CB 3.3Å; T64-S68 PolarHBondContact O-N 3.49Å; T64-S68 PolarHBondContact O-OG 2.87Å; V65-S68 PolarHBondContact O-N 2.95Å; S66-S68 PolarHBondContact O-N 2.74Å; S68-Q71 PolarHBondContact O-N 3.13Å; S68-V72 WeakPolarHBondContact O-CG2 3.43Å; S68-V72 PolarHBondContact O-N 3.07Å; S68-S248 WeakPolarHBondContact CB-O 3.44Å; S68-S248 PolarHBondContact OG-O 3.09Å; S68-I252 WeakPolarHBondContact OG-CG1 3.45Å |
| 69 | W | 91.8 | Very high | 87 | Confident | 138 Ų | 138 | 60.8 Ų | 60.8 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.5 | -178.4 | -116.6 | 0 | 0 | 0 | 112.7 | V65 S66 K67 Q71 V72 I73 | V65-W69 VanDerWaalsContact O-CB 3.29Å; V65-W69 WeakPolarHBondContact O-CB 3.49Å; V65-W69 PolarHBondContact O-N 2.89Å; S66-W69 PolarHBondContact O-N 2.95Å; K67-W69 VanDerWaalsContact C-N 3.33Å; W69-Q71 VanDerWaalsContact C-N 3.27Å; W69-Q71 PolarHBondContact O-N 3.16Å; W69-V72 HydrophobicContact CE3-CB 4.27Å; W69-V72 HydrophobicContact CE3-CG1 4.32Å; W69-V72 HydrophobicContact CZ3-CG1 4.11Å; W69-V72 WeakPolarHBondContact O-CB 3.36Å; W69-V72 PolarHBondContact O-N 3.47Å; W69-V72 VanDerWaalsContact O-N 3.13Å; W69-I73 HydrophobicContact CD2-CD1 4.46Å; W69-I73 HydrophobicContact CG-CD1 4.4Å; W69-I73 HydrophobicContact CZ2-CD1 4.4Å; W69-I73 HydrophobicContact CZ2-CG1 4.36Å; W69-I73 WeakPolarHBondContact O-CG1 3.25Å; W69-I73 PolarHBondContact O-N 3.13Å |
| 70 | S | 89.9 | Confident | 88.8 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 173.4 | -58.8 | 0 | 0 | 0 | 0 | 112 | S66 K67 I73 R74 | S66-S70 PolarHBondContact O-N 3.11Å; S66-S70 PolarHBondContact O-OG 3.05Å; S66-S70 VanDerWaalsContact O-OG 3.1Å; K67-S70 PolarHBondContact O-N 2.64Å; S70-I73 PolarHBondContact O-N 2.84Å; S70-R74 WeakPolarHBondContact O-CB 3.38Å; S70-R74 PolarHBondContact O-N 2.84Å |
| 71 | Q | 92.4 | Very high | 90.6 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 175.9 | -173.9 | 64.7 | 3.1 | 0 | 0 | 111.8 | K67 S68 W69 I73 R74 Q75 S248 | K67-Q71 PolarHBondContact O-N 3.34Å; K67-Q71 VanDerWaalsContact O-N 3.13Å; S68-Q71 PolarHBondContact O-N 3.13Å; W69-Q71 VanDerWaalsContact C-N 3.27Å; W69-Q71 PolarHBondContact O-N 3.16Å; Q71-I73 VanDerWaalsContact C-N 3.35Å; Q71-I73 PolarHBondContact O-N 3.08Å; Q71-R74 PolarHBondContact O-N 3.19Å; Q71-Q75 HydrophobicContact CG-CG 4.42Å; Q71-Q75 VanDerWaalsContact NE2-NE2 3.13Å; Q71-Q75 WeakPolarHBondContact O-CB 3.36Å; Q71-Q75 VanDerWaalsContact O-CG 3.26Å; Q71-Q75 WeakPolarHBondContact O-CG 3.29Å; Q71-Q75 PolarHBondContact O-N 3.04Å; Q71-S248 WeakPolarHBondContact CG-OG 3.35Å |
| 72 | V | 94.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 173.1 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | S68 W69 Q75 T76 I245 V249 | S68-V72 WeakPolarHBondContact O-CG2 3.43Å; S68-V72 PolarHBondContact O-N 3.07Å; W69-V72 HydrophobicContact CE3-CB 4.27Å; W69-V72 HydrophobicContact CE3-CG1 4.32Å; W69-V72 HydrophobicContact CZ3-CG1 4.11Å; W69-V72 WeakPolarHBondContact O-CB 3.36Å; W69-V72 PolarHBondContact O-N 3.47Å; W69-V72 VanDerWaalsContact O-N 3.13Å; V72-Q75 PolarHBondContact O-N 3.2Å; V72-T76 WeakPolarHBondContact O-CB 3.39Å; V72-T76 PolarHBondContact O-N 2.98Å; V72-T76 PolarHBondContact O-OG1 3.27Å; V72-I245 HydrophobicContact CG1-CG2 4.31Å; V72-I245 HydrophobicContact CG2-CG2 4.17Å; V72-V249 HydrophobicContact CG2-CG2 4.01Å |
| 73 | I | 93.4 | Very high | 93.1 | Very high | 26 Ų | 26 | 49.5 Ų | 49.5 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 176.5 | -68.6 | 166.2 | 0 | 0 | 0 | 110.4 | T50 T53 W69 S70 Q71 Q75 T76 E77 | T50-I73 HydrophobicContact CG2-CG2 3.93Å; T53-I73 HydrophobicContact CG2-CD1 4.26Å; W69-I73 HydrophobicContact CD2-CD1 4.46Å; W69-I73 HydrophobicContact CG-CD1 4.4Å; W69-I73 HydrophobicContact CZ2-CD1 4.4Å; W69-I73 HydrophobicContact CZ2-CG1 4.36Å; W69-I73 WeakPolarHBondContact O-CG1 3.25Å; W69-I73 PolarHBondContact O-N 3.13Å; S70-I73 PolarHBondContact O-N 2.84Å; Q71-I73 VanDerWaalsContact C-N 3.35Å; Q71-I73 PolarHBondContact O-N 3.08Å; I73-Q75 VanDerWaalsContact C-N 3.32Å; I73-Q75 PolarHBondContact O-N 2.81Å; I73-T76 WeakPolarHBondContact O-CB 3.48Å; I73-T76 PolarHBondContact O-N 3.5Å; I73-T76 VanDerWaalsContact O-N 3.11Å; I73-E77 PolarHBondContact O-N 3.4Å |
| 74 | R | 93.9 | Very high | 93.8 | Very high | 166 Ų | 166 | 53.7 Ų | 53.7 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.8 | -41.9 | -179.6 | -178.1 | -178.7 | 169.9 | -178.2 | -1.5 | 112.6 | S70 Q71 E77 A78 | S70-R74 WeakPolarHBondContact O-CB 3.38Å; S70-R74 PolarHBondContact O-N 2.84Å; Q71-R74 PolarHBondContact O-N 3.19Å; R74-E77 WeakPolarHBondContact O-CB 3.38Å; R74-E77 PolarHBondContact O-N 3.43Å; R74-A78 PolarHBondContact O-N 3.07Å |
| 75 | Q | 96.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.6 | -35 | 177.5 | -68.5 | -58.8 | -28.1 | 0 | 0 | 111.9 | Q71 V72 I73 E77 A78 L79 V241 E244 I245 | Q71-Q75 HydrophobicContact CG-CG 4.42Å; Q71-Q75 VanDerWaalsContact NE2-NE2 3.13Å; Q71-Q75 WeakPolarHBondContact O-CB 3.36Å; Q71-Q75 VanDerWaalsContact O-CG 3.26Å; Q71-Q75 WeakPolarHBondContact O-CG 3.29Å; Q71-Q75 PolarHBondContact O-N 3.04Å; V72-Q75 PolarHBondContact O-N 3.2Å; I73-Q75 VanDerWaalsContact C-N 3.32Å; I73-Q75 PolarHBondContact O-N 2.81Å; Q75-E77 VanDerWaalsContact C-N 3.33Å; Q75-A78 WeakPolarHBondContact O-CB 3.37Å; Q75-A78 PolarHBondContact O-N 2.86Å; Q75-L79 PolarHBondContact O-N 3.42Å; Q75-V241 HydrophobicContact CB-CG1 4.13Å; Q75-V241 WeakPolarHBondContact O-CG1 3.12Å; Q75-E244 HydrophobicContact CG-CB 3.93Å; Q75-I245 HydrophobicContact CB-CD1 3.97Å; Q75-I245 HydrophobicContact CB-CG1 3.51Å; Q75-I245 HydrophobicContact CG-CG1 4.27Å |
| 76 | T | 96 | Very high | 94.7 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 16% | 0.16 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -36 | 172.9 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | L46 T50 V72 I73 L79 G80 | L46-T76 HydrophobicContact CD2-CG2 4.01Å; T50-T76 HydrophobicContact CG2-CG2 4.28Å; V72-T76 WeakPolarHBondContact O-CB 3.39Å; V72-T76 PolarHBondContact O-N 2.98Å; V72-T76 PolarHBondContact O-OG1 3.27Å; I73-T76 WeakPolarHBondContact O-CB 3.48Å; I73-T76 PolarHBondContact O-N 3.5Å; I73-T76 VanDerWaalsContact O-N 3.11Å; T76-L79 WeakPolarHBondContact O-CB 3.4Å; T76-L79 PolarHBondContact O-N 2.89Å; T76-G80 PolarHBondContact O-N 3.32Å; T76-G80 VanDerWaalsContact O-N 3.1Å |
| 77 | E | 95.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 172.6 | -166.7 | -175.5 | -171.6 | 0 | 0 | 111.2 | L47 T50 I73 R74 Q75 L79 G80 H81 | L47-E77 HydrophobicContact CD2-CB 4.44Å; L47-E77 HydrophobicContact CD2-CG 3.55Å; T50-E77 HydrophobicContact CG2-CB 4.01Å; I73-E77 PolarHBondContact O-N 3.4Å; R74-E77 WeakPolarHBondContact O-CB 3.38Å; R74-E77 PolarHBondContact O-N 3.43Å; Q75-E77 VanDerWaalsContact C-N 3.33Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 2.88Å; E77-G80 WeakPolarHBondContact O-CA 3.38Å; E77-G80 PolarHBondContact O-N 2.85Å; E77-H81 PolarHBondContact O-CD2 2.94Å; E77-H81 VanDerWaalsContact O-CD2 3.24Å; E77-H81 PolarHBondContact O-N 3.45Å; E77-H81 IonicContact OE1-NE2 3.82Å |
| 78 | A | 96.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.8 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R74 Q75 G80 H81 I82 V241 | R74-A78 PolarHBondContact O-N 3.07Å; Q75-A78 WeakPolarHBondContact O-CB 3.37Å; Q75-A78 PolarHBondContact O-N 2.86Å; A78-G80 VanDerWaalsContact C-N 3.32Å; A78-G80 PolarHBondContact O-N 2.73Å; A78-H81 PolarHBondContact O-N 2.72Å; A78-H81 VanDerWaalsContact O-N 3.16Å; A78-I82 WeakPolarHBondContact O-CG1 3.5Å; A78-I82 PolarHBondContact O-N 2.78Å; A78-V241 HydrophobicContact CB-CG2 4.41Å |
| 79 | L | 97.8 | Very high | 96 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 172.8 | -175 | 58.8 | 0 | 0 | 0 | 112 | L46 Q75 T76 E77 H81 I82 M83 V238 V241 | L46-L79 HydrophobicContact CD1-CB 4.36Å; L46-L79 HydrophobicContact CD1-CD2 4.01Å; L46-L79 HydrophobicContact CD1-CG 3.87Å; Q75-L79 PolarHBondContact O-N 3.42Å; T76-L79 WeakPolarHBondContact O-CB 3.4Å; T76-L79 PolarHBondContact O-N 2.89Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 2.88Å; L79-H81 VanDerWaalsContact C-N 3.28Å; L79-H81 PolarHBondContact O-N 2.95Å; L79-I82 PolarHBondContact O-N 3.09Å; L79-M83 HydrophobicContact CD1-CE 4.48Å; L79-M83 HydrophobicContact CD1-CG 4.26Å; L79-M83 HydrophobicContact CG-CG 4.39Å; L79-M83 VanDerWaalsContact O-CG 3.3Å; L79-M83 WeakPolarHBondContact O-CG 3.22Å; L79-M83 PolarHBondContact O-N 3.45Å; L79-V238 HydrophobicContact CD1-CB 4.5Å; L79-V238 HydrophobicContact CD1-CG1 3.97Å; L79-V238 HydrophobicContact CD1-CG2 4.1Å; L79-V241 HydrophobicContact CB-CG1 4.08Å |
| 80 | G | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.6 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A43 T76 E77 A78 R84 | A43-G80 VanDerWaalsContact CB-O 3.25Å; A43-G80 WeakPolarHBondContact CB-O 3.4Å; T76-G80 PolarHBondContact O-N 3.32Å; T76-G80 VanDerWaalsContact O-N 3.1Å; E77-G80 WeakPolarHBondContact O-CA 3.38Å; E77-G80 PolarHBondContact O-N 2.85Å; A78-G80 VanDerWaalsContact C-N 3.32Å; A78-G80 PolarHBondContact O-N 2.73Å; G80-R84 PolarHBondContact O-N 3.38Å; G80-R84 VanDerWaalsContact O-N 3.13Å |
| 81 | H | 97.6 | Very high | 96.6 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 42% | 0.421 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.8 | -42.9 | 175.1 | -70.9 | -63.8 | 0 | 0 | 0 | 113.3 | E77 A78 L79 M83 R84 S85 | E77-H81 PolarHBondContact O-CD2 2.94Å; E77-H81 VanDerWaalsContact O-CD2 3.24Å; E77-H81 PolarHBondContact O-N 3.45Å; E77-H81 IonicContact OE1-NE2 3.82Å; A78-H81 PolarHBondContact O-N 2.72Å; A78-H81 VanDerWaalsContact O-N 3.16Å; L79-H81 VanDerWaalsContact C-N 3.28Å; L79-H81 PolarHBondContact O-N 2.95Å; H81-M83 PolarHBondContact O-N 2.91Å; H81-R84 WeakPolarHBondContact O-CB 3.44Å; H81-R84 PolarHBondContact O-N 3.06Å; H81-S85 PolarHBondContact O-N 3.14Å |
| 82 | I | 97.6 | Very high | 96.8 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 176.3 | -66.1 | 163.2 | 0 | 0 | 0 | 110.3 | A78 L79 R84 S85 H86 E237 V238 V241 | A78-I82 WeakPolarHBondContact O-CG1 3.5Å; A78-I82 PolarHBondContact O-N 2.78Å; L79-I82 PolarHBondContact O-N 3.09Å; I82-R84 VanDerWaalsContact C-N 3.28Å; I82-R84 PolarHBondContact O-N 3.49Å; I82-S85 WeakPolarHBondContact O-CB 2.98Å; I82-S85 PolarHBondContact O-N 3.11Å; I82-S85 VanDerWaalsContact O-N 3.1Å; I82-H86 WeakPolarHBondContact CG2-NE2 3.25Å; I82-H86 PolarHBondContact O-CD2 3.21Å; I82-H86 VanDerWaalsContact O-CD2 3.27Å; I82-H86 PolarHBondContact O-N 3.43Å; I82-E237 HydrophobicContact CD1-CB 4.07Å; I82-V238 HydrophobicContact CG2-CG2 3.93Å; I82-V241 HydrophobicContact CD1-CG2 3.82Å |
| 83 | M | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -34.6 | 177.9 | -66.7 | -62 | 90.6 | 0 | 0 | 113 | Y42 A43 L79 H81 H86 A87 L233 V238 | Y42-M83 HydrophobicContact CD1-CG 4.02Å; Y42-M83 HydrophobicContact CD1-SD 4.4Å; Y42-M83 HydrophobicContact CE1-CG 4.22Å; A43-M83 HydrophobicContact CB-CB 3.97Å; L79-M83 HydrophobicContact CD1-CE 4.48Å; L79-M83 HydrophobicContact CD1-CG 4.26Å; L79-M83 HydrophobicContact CG-CG 4.39Å; L79-M83 VanDerWaalsContact O-CG 3.3Å; L79-M83 WeakPolarHBondContact O-CG 3.22Å; L79-M83 PolarHBondContact O-N 3.45Å; H81-M83 PolarHBondContact O-N 2.91Å; M83-H86 WeakPolarHBondContact CE-ND1 3.43Å; M83-A87 PolarHBondContact O-N 3.03Å; M83-A87 VanDerWaalsContact O-N 3.17Å; M83-L233 HydrophobicContact CE-CD2 4.21Å; M83-L233 HydrophobicContact SD-CD2 3.73Å; M83-V238 HydrophobicContact CE-CG2 3.7Å |
| 84 | R | 97.8 | Very high | 97.2 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.3 | -45 | 172.8 | -173.7 | 176.7 | -64 | 178.3 | -4.8 | 111.6 | A43 L47 G80 H81 I82 A87 D88 | A43-R84 HydrophobicContact CB-CB 3.98Å; L47-R84 VanDerWaalsContact CD1-CZ 3.48Å; G80-R84 PolarHBondContact O-N 3.38Å; G80-R84 VanDerWaalsContact O-N 3.13Å; H81-R84 WeakPolarHBondContact O-CB 3.44Å; H81-R84 PolarHBondContact O-N 3.06Å; I82-R84 VanDerWaalsContact C-N 3.28Å; I82-R84 PolarHBondContact O-N 3.49Å; R84-A87 PolarHBondContact O-N 3.49Å; R84-D88 PolarHBondContact O-N 3.48Å; R84-D88 VanDerWaalsContact O-N 3.1Å |
| 85 | S | 97.6 | Very high | 97.4 | Very high | 57 Ų | 57 | 36.8 Ų | 36.8 | 40% | 0.399 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.9 | -50.7 | 176.6 | -164.1 | 0 | 0 | 0 | 0 | 111.1 | H81 I82 A87 D88 D89 | H81-S85 PolarHBondContact O-N 3.14Å; I82-S85 WeakPolarHBondContact O-CB 2.98Å; I82-S85 PolarHBondContact O-N 3.11Å; I82-S85 VanDerWaalsContact O-N 3.1Å; S85-A87 PolarHBondContact O-N 2.98Å; S85-D88 PolarHBondContact O-N 3.11Å; S85-D89 VanDerWaalsContact O-CG 3.28Å; S85-D89 PolarHBondContact O-N 2.72Å; S85-D89 PolarHBondContact OG-OD2 3.07Å |
| 86 | H | 97.1 | Very high | 97.5 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 6% | 0.06 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.6 | -41.7 | 177.6 | -73.3 | -157.1 | 0 | 0 | 0 | 111.8 | I82 M83 D89 L90 I230 | I82-H86 WeakPolarHBondContact CG2-NE2 3.25Å; I82-H86 PolarHBondContact O-CD2 3.21Å; I82-H86 VanDerWaalsContact O-CD2 3.27Å; I82-H86 PolarHBondContact O-N 3.43Å; M83-H86 WeakPolarHBondContact CE-ND1 3.43Å; H86-D89 PolarHBondContact O-N 3.25Å; H86-L90 WeakPolarHBondContact O-CB 3.44Å; H86-L90 VanDerWaalsContact O-CG 3.25Å; H86-L90 WeakPolarHBondContact O-CG 3.49Å; H86-L90 PolarHBondContact O-N 3.31Å; H86-I230 HydrophobicContact CB-CG2 4.15Å; H86-I230 PolarHBondContact CE1-O 3.21Å; H86-I230 PolarHBondContact ND1-O 2.78Å; H86-I230 WeakPolarHBondContact O-CG2 3.38Å |
| 87 | A | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.5 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D39 K40 M83 R84 S85 N91 | D39-A87 HydrophobicContact CB-CB 3.8Å; K40-A87 HydrophobicContact CD-CB 4.47Å; K40-A87 HydrophobicContact CG-CB 3.54Å; M83-A87 PolarHBondContact O-N 3.03Å; M83-A87 VanDerWaalsContact O-N 3.17Å; R84-A87 PolarHBondContact O-N 3.49Å; S85-A87 PolarHBondContact O-N 2.98Å; A87-N91 VanDerWaalsContact O-CB 3.29Å; A87-N91 WeakPolarHBondContact O-CB 3.36Å; A87-N91 PolarHBondContact O-N 3.44Å; A87-N91 VanDerWaalsContact O-N 3.13Å |
| 88 | D | 97.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.3 | -37.6 | 176.4 | -72.1 | -30.2 | 0 | 0 | 0 | 111.9 | K40 R84 S85 N91 S92 | K40-D88 WeakPolarHBondContact CE-OD1 3.33Å; K40-D88 IonicContact NZ-OD1 3.83Å; K40-D88 PolarHBondContact NZ-OD1 3.01Å; R84-D88 PolarHBondContact O-N 3.48Å; R84-D88 VanDerWaalsContact O-N 3.1Å; S85-D88 PolarHBondContact O-N 3.11Å; D88-N91 PolarHBondContact O-N 3.05Å; D88-S92 WeakPolarHBondContact O-CB 3.23Å; D88-S92 PolarHBondContact O-N 2.83Å; D88-S92 PolarHBondContact O-OG 2.9Å |
| 89 | D | 97.9 | Very high | 97.8 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.4 | -44.7 | 175 | -65.9 | -33 | 0 | 0 | 0 | 111.1 | S85 H86 N91 S92 G93 I230 | S85-D89 VanDerWaalsContact O-CG 3.28Å; S85-D89 PolarHBondContact O-N 2.72Å; S85-D89 PolarHBondContact OG-OD2 3.07Å; H86-D89 PolarHBondContact O-N 3.25Å; D89-N91 VanDerWaalsContact C-N 3.28Å; D89-N91 PolarHBondContact O-N 3.42Å; D89-S92 PolarHBondContact O-N 3.29Å; D89-G93 WeakPolarHBondContact O-CA 3.47Å; D89-G93 PolarHBondContact O-N 2.92Å; D89-I230 HydrophobicContact CB-CD1 4.25Å; D89-I230 HydrophobicContact CB-CG2 3.93Å |
| 90 | L | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 172.4 | -78.8 | 178.7 | 0 | 0 | 0 | 112.2 | R35 V36 H86 P94 L95 Y227 I230 | R35-L90 HydrophobicContact CG-CD1 4.1Å; V36-L90 HydrophobicContact CG2-CB 3.63Å; V36-L90 HydrophobicContact CG2-CD1 4.47Å; H86-L90 WeakPolarHBondContact O-CB 3.44Å; H86-L90 VanDerWaalsContact O-CG 3.25Å; H86-L90 WeakPolarHBondContact O-CG 3.49Å; H86-L90 PolarHBondContact O-N 3.31Å; L90-P94 HydrophobicContact CD2-CG 3.8Å; L90-P94 WeakPolarHBondContact O-CD 3.37Å; L90-L95 WeakPolarHBondContact O-CB 3.48Å; L90-L95 PolarHBondContact O-N 3.41Å; L90-L95 VanDerWaalsContact O-N 3.12Å; L90-Y227 HydrophobicContact CD2-CD2 3.71Å; L90-Y227 HydrophobicContact CD2-CE2 4.31Å; L90-Y227 HydrophobicContact CD2-CG 4.47Å; L90-I230 HydrophobicContact CD2-CB 3.84Å; L90-I230 HydrophobicContact CD2-CD1 4.35Å; L90-I230 HydrophobicContact CD2-CG2 3.92Å; L90-I230 HydrophobicContact CG-CB 4.19Å; L90-I230 HydrophobicContact CG-CG2 3.68Å |
| 91 | N | 97.5 | Very high | 97.8 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 41% | 0.406 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.4 | -42.3 | -177.4 | -174.7 | 68.9 | 0 | 0 | 0 | 112.5 | V36 A87 D88 D89 | V36-N91 HydrophobicContact CG1-CB 3.95Å; V36-N91 HydrophobicContact CG2-CB 4.17Å; A87-N91 VanDerWaalsContact O-CB 3.29Å; A87-N91 WeakPolarHBondContact O-CB 3.36Å; A87-N91 PolarHBondContact O-N 3.44Å; A87-N91 VanDerWaalsContact O-N 3.13Å; D88-N91 PolarHBondContact O-N 3.05Å; D89-N91 VanDerWaalsContact C-N 3.28Å; D89-N91 PolarHBondContact O-N 3.42Å |
| 92 | S | 96.9 | Very high | 97.9 | Very high | 78 Ų | 78 | 40.1 Ų | 40.1 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -85 | -26.2 | -177.4 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | D88 D89 H96 | D88-S92 WeakPolarHBondContact O-CB 3.23Å; D88-S92 PolarHBondContact O-N 2.83Å; D88-S92 PolarHBondContact O-OG 2.9Å; D89-S92 PolarHBondContact O-N 3.29Å; S92-H96 WeakPolarHBondContact O-CB 3.18Å |
| 93 | G | 97.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -99.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D89 L95 H96 R97 | D89-G93 WeakPolarHBondContact O-CA 3.47Å; D89-G93 PolarHBondContact O-N 2.92Å; G93-L95 VanDerWaalsContact C-N 3.34Å; G93-L95 PolarHBondContact O-N 3.08Å; G93-H96 PolarHBondContact O-N 3.5Å; G93-R97 WeakPolarHBondContact O-CG 3.43Å; G93-R97 PolarHBondContact O-N 2.93Å |
| 94 | P | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.2 | -37.9 | -168.4 | 21.5 | -32.3 | 0 | 0 | 0 | 113.2 | L90 H96 R97 L98 I223 E226 I230 | L90-P94 HydrophobicContact CD2-CG 3.8Å; L90-P94 WeakPolarHBondContact O-CD 3.37Å; P94-H96 PolarHBondContact O-N 3.14Å; P94-R97 PolarHBondContact O-N 3.18Å; P94-L98 WeakPolarHBondContact O-CB 3.43Å; P94-L98 PolarHBondContact O-N 3.46Å; P94-I223 HydrophobicContact CB-CG2 3.87Å; P94-E226 HydrophobicContact CB-CG 4.49Å; P94-E226 HydrophobicContact CG-CG 4.37Å; P94-I230 HydrophobicContact CG-CD1 4.24Å |
| 95 | L | 98.2 | Very high | 97.9 | Very high | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 178.8 | -177.9 | 60.2 | 0 | 0 | 0 | 112.3 | K29 M32 V36 L90 G93 A99 | K29-L95 HydrophobicContact CG-CD1 3.78Å; M32-L95 HydrophobicContact CB-CD1 3.97Å; V36-L95 HydrophobicContact CG2-CD2 4.35Å; L90-L95 WeakPolarHBondContact O-CB 3.48Å; L90-L95 PolarHBondContact O-N 3.41Å; L90-L95 VanDerWaalsContact O-N 3.12Å; G93-L95 VanDerWaalsContact C-N 3.34Å; G93-L95 PolarHBondContact O-N 3.08Å; L95-A99 PolarHBondContact O-N 3.03Å |
| 96 | H | 97.6 | Very high | 97.9 | Very high | 108 Ų | 108 | 46.2 Ų | 46.2 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 176.1 | -177.4 | 80.8 | 0 | 0 | 0 | 111.5 | S92 G93 P94 L98 A99 T100 | S92-H96 WeakPolarHBondContact O-CB 3.18Å; G93-H96 PolarHBondContact O-N 3.5Å; P94-H96 PolarHBondContact O-N 3.14Å; H96-L98 VanDerWaalsContact C-N 3.33Å; H96-L98 PolarHBondContact O-N 3.39Å; H96-A99 WeakPolarHBondContact O-CB 3.25Å; H96-A99 PolarHBondContact O-N 2.87Å; H96-T100 PolarHBondContact O-N 2.92Å; H96-T100 PolarHBondContact O-OG1 2.79Å |
| 97 | R | 98.4 | Very high | 98 | Very high | 129 Ų | 129 | 50.8 Ų | 50.8 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 177.3 | -68.1 | 177.9 | -170.3 | 154.6 | 7.7 | 111.7 | G93 P94 A99 T100 L101 I223 E226 | G93-R97 WeakPolarHBondContact O-CG 3.43Å; G93-R97 PolarHBondContact O-N 2.93Å; P94-R97 PolarHBondContact O-N 3.18Å; R97-A99 PolarHBondContact O-N 3.17Å; R97-T100 PolarHBondContact O-N 2.98Å; R97-L101 PolarHBondContact O-N 3.43Å; R97-I223 HydrophobicContact CB-CD1 3.87Å; R97-I223 HydrophobicContact CB-CG1 3.95Å; R97-E226 IonicContact CZ-OE1 2.69Å; R97-E226 IonicContact CZ-OE2 2.64Å; R97-E226 IonicContact NH1-OE1 3.55Å; R97-E226 PolarHBondContact NH1-OE1 3.33Å; R97-E226 IonicContact NH1-OE2 3.43Å; R97-E226 PolarHBondContact NH1-OE2 2.98Å; R97-E226 IonicContact NH2-OE1 3.15Å |
| 98 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.1 | -177.1 | 58.1 | 0 | 0 | 0 | 112.3 | L25 V28 K29 M32 P94 H96 T100 L101 I102 L220 I223 | L25-L98 HydrophobicContact CB-CD1 4.48Å; L25-L98 HydrophobicContact CD2-CD1 3.85Å; V28-L98 HydrophobicContact CB-CD2 4.16Å; V28-L98 HydrophobicContact CG1-CD2 3.73Å; K29-L98 HydrophobicContact CB-CD2 3.74Å; K29-L98 HydrophobicContact CB-CG 4.23Å; M32-L98 HydrophobicContact SD-CD2 3.78Å; P94-L98 WeakPolarHBondContact O-CB 3.43Å; P94-L98 PolarHBondContact O-N 3.46Å; H96-L98 VanDerWaalsContact C-N 3.33Å; H96-L98 PolarHBondContact O-N 3.39Å; L98-T100 VanDerWaalsContact C-N 3.29Å; L98-T100 PolarHBondContact O-N 2.98Å; L98-L101 HydrophobicContact CD1-CD2 4.48Å; L98-L101 PolarHBondContact O-N 3.33Å; L98-I102 HydrophobicContact CG-CD1 4.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.32Å; L98-I102 PolarHBondContact O-N 3.16Å; L98-L220 HydrophobicContact CD1-CD1 3.99Å; L98-I223 HydrophobicContact CB-CD1 4.49Å; L98-I223 HydrophobicContact CB-CG2 4.3Å |
| 99 | A | 98.2 | Very high | 97.9 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L95 H96 R97 R103 | L95-A99 PolarHBondContact O-N 3.03Å; H96-A99 WeakPolarHBondContact O-CB 3.25Å; H96-A99 PolarHBondContact O-N 2.87Å; R97-A99 PolarHBondContact O-N 3.17Å; A99-R103 PolarHBondContact O-N 3.44Å |
| 100 | T | 98.1 | Very high | 97.9 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.1 | -46 | 173.2 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | H96 R97 L98 I102 R103 D104 | H96-T100 PolarHBondContact O-N 2.92Å; H96-T100 PolarHBondContact O-OG1 2.79Å; R97-T100 PolarHBondContact O-N 2.98Å; L98-T100 VanDerWaalsContact C-N 3.29Å; L98-T100 PolarHBondContact O-N 2.98Å; T100-I102 VanDerWaalsContact C-N 3.27Å; T100-I102 PolarHBondContact O-N 3.3Å; T100-R103 WeakPolarHBondContact O-CB 3.48Å; T100-R103 PolarHBondContact O-N 3.01Å; T100-R103 PolarHBondContact OG1-NH2 3.37Å; T100-D104 PolarHBondContact O-N 2.87Å |
| 101 | L | 98.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.2 | -40.1 | 175.9 | -178.7 | 62.2 | 0 | 0 | 0 | 112.6 | L25 R97 L98 D104 K105 M216 A219 L220 I223 | L25-L101 HydrophobicContact CD1-CG 4.42Å; L25-L101 HydrophobicContact CD2-CD2 4.22Å; R97-L101 PolarHBondContact O-N 3.43Å; L98-L101 HydrophobicContact CD1-CD2 4.48Å; L98-L101 PolarHBondContact O-N 3.33Å; L101-D104 PolarHBondContact O-N 3.24Å; L101-K105 VanDerWaalsContact O-CB 3.3Å; L101-K105 WeakPolarHBondContact O-CB 3.41Å; L101-K105 PolarHBondContact O-N 2.89Å; L101-M216 HydrophobicContact CD1-CB 4Å; L101-M216 HydrophobicContact CD1-CG 3.81Å; L101-M216 HydrophobicContact CD1-SD 4.48Å; L101-A219 HydrophobicContact CD1-CB 4.36Å; L101-L220 HydrophobicContact CD2-CB 4.03Å; L101-I223 HydrophobicContact CD2-CD1 4.18Å |
| 102 | I | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.3 | -71 | 163.1 | 0 | 0 | 0 | 111.2 | L22 L25 E26 K29 L98 T100 K105 Q106 | L22-I102 HydrophobicContact CD2-CG2 4.31Å; L25-I102 HydrophobicContact CB-CD1 4.02Å; L25-I102 HydrophobicContact CB-CG1 3.59Å; L25-I102 HydrophobicContact CD1-CG1 4.09Å; L25-I102 HydrophobicContact CG-CG1 4.46Å; E26-I102 HydrophobicContact CG-CD1 4.42Å; E26-I102 WeakPolarHBondContact OE1-CG2 3.19Å; K29-I102 HydrophobicContact CB-CD1 4.12Å; K29-I102 HydrophobicContact CD-CD1 3.73Å; L98-I102 HydrophobicContact CG-CD1 4.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.32Å; L98-I102 PolarHBondContact O-N 3.16Å; T100-I102 VanDerWaalsContact C-N 3.27Å; T100-I102 PolarHBondContact O-N 3.3Å; I102-K105 PolarHBondContact O-N 2.82Å; I102-Q106 WeakPolarHBondContact O-CG 3.49Å; I102-Q106 PolarHBondContact O-N 3.17Å |
| 103 | R | 98.2 | Very high | 97.9 | Very high | 144 Ų | 144 | 51.7 Ų | 51.7 | 54% | 0.543 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -45.2 | 177.7 | -72 | -175.3 | -67.5 | -174.4 | 0.3 | 111.2 | A99 T100 K105 Q106 Q107 | A99-R103 PolarHBondContact O-N 3.44Å; T100-R103 WeakPolarHBondContact O-CB 3.48Å; T100-R103 PolarHBondContact O-N 3.01Å; T100-R103 PolarHBondContact OG1-NH2 3.37Å; R103-K105 VanDerWaalsContact C-N 3.32Å; R103-K105 PolarHBondContact O-N 3.32Å; R103-Q106 WeakPolarHBondContact O-CB 3.5Å; R103-Q106 PolarHBondContact O-N 2.88Å; R103-Q107 PolarHBondContact O-N 2.73Å |
| 104 | D | 97.8 | Very high | 98 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 179.3 | -65.4 | -18.6 | 0 | 0 | 0 | 110.9 | T100 L101 Q106 Q107 V108 M216 | T100-D104 PolarHBondContact O-N 2.87Å; L101-D104 PolarHBondContact O-N 3.24Å; D104-Q106 PolarHBondContact O-N 3.19Å; D104-Q107 CarbonylContact O-C 3.6Å; D104-Q107 WeakPolarHBondContact O-CB 3.34Å; D104-Q107 PolarHBondContact O-N 3.17Å; D104-Q107 VanDerWaalsContact O-N 3.13Å; D104-V108 WeakPolarHBondContact O-CG2 3.45Å; D104-V108 PolarHBondContact O-N 3.4Å; D104-M216 HydrophobicContact CB-CE 3.98Å |
| 105 | K | 97.8 | Very high | 97.9 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 175.8 | -168.2 | 175.7 | -171.7 | 95.8 | 0 | 113 | E21 L22 L25 L101 I102 R103 Q107 V108 K109 M216 | E21-K105 HydrophobicContact CB-CD 4.46Å; E21-K105 VanDerWaalsContact CD-NZ 3.32Å; E21-K105 IonicContact OE1-NZ 2.74Å; E21-K105 WeakPolarHBondContact OE2-CE 3.43Å; E21-K105 IonicContact OE2-NZ 3.16Å; E21-K105 PolarHBondContact OE2-NZ 3.01Å; L22-K105 HydrophobicContact CD2-CB 3.9Å; L22-K105 HydrophobicContact CD2-CD 3.88Å; L22-K105 HydrophobicContact CD2-CG 3.9Å; L22-K105 HydrophobicContact CG-CD 3.98Å; L22-K105 HydrophobicContact CG-CG 4.12Å; L25-K105 HydrophobicContact CD1-CD 3.52Å; L101-K105 VanDerWaalsContact O-CB 3.3Å; L101-K105 WeakPolarHBondContact O-CB 3.41Å; L101-K105 PolarHBondContact O-N 2.89Å; I102-K105 PolarHBondContact O-N 2.82Å; R103-K105 VanDerWaalsContact C-N 3.32Å; R103-K105 PolarHBondContact O-N 3.32Å; K105-Q107 VanDerWaalsContact C-N 3.28Å; K105-Q107 PolarHBondContact O-N 3.46Å; K105-V108 PolarHBondContact O-N 2.94Å; K105-K109 PolarHBondContact O-N 3.24Å; K105-M216 HydrophobicContact CB-CE 4.06Å; K105-M216 HydrophobicContact CB-SD 3.87Å; K105-M216 HydrophobicContact CD-SD 4.46Å; K105-M216 HydrophobicContact CG-SD 3.91Å |
| 106 | Q | 98.1 | Very high | 97.9 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 172.2 | -70.5 | 172.8 | -2.2 | 0 | 0 | 111.4 | L22 I102 R103 D104 K109 K110 | L22-Q106 HydrophobicContact CD1-CG 4.16Å; L22-Q106 HydrophobicContact CD2-CG 3.72Å; I102-Q106 WeakPolarHBondContact O-CG 3.49Å; I102-Q106 PolarHBondContact O-N 3.17Å; R103-Q106 WeakPolarHBondContact O-CB 3.5Å; R103-Q106 PolarHBondContact O-N 2.88Å; D104-Q106 PolarHBondContact O-N 3.19Å; Q106-K109 PolarHBondContact O-N 2.91Å; Q106-K110 WeakPolarHBondContact O-CG 3.46Å; Q106-K110 PolarHBondContact O-N 3.34Å; Q106-K110 VanDerWaalsContact O-N 3.14Å |
| 107 | Q | 97.7 | Very high | 97.8 | Very high | 109 Ų | 109 | 60.2 Ų | 60.2 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 177.8 | -174.8 | 58.2 | 24 | 0 | 0 | 112.3 | R103 D104 K105 K109 K110 S111 | R103-Q107 PolarHBondContact O-N 2.73Å; D104-Q107 CarbonylContact O-C 3.6Å; D104-Q107 WeakPolarHBondContact O-CB 3.34Å; D104-Q107 PolarHBondContact O-N 3.17Å; D104-Q107 VanDerWaalsContact O-N 3.13Å; K105-Q107 VanDerWaalsContact C-N 3.28Å; K105-Q107 PolarHBondContact O-N 3.46Å; Q107-K109 VanDerWaalsContact C-N 3.35Å; Q107-K110 PolarHBondContact O-N 3.39Å; Q107-S111 WeakPolarHBondContact O-CB 3.12Å; Q107-S111 PolarHBondContact O-N 3.44Å; Q107-S111 PolarHBondContact O-OG 3.39Å |
| 108 | V | 97.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 59.9 Ų | 59.9 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 173.3 | 167.7 | 0 | 0 | 0 | 0 | 110.5 | D104 K105 K110 S111 Y112 L209 M212 M216 | D104-V108 WeakPolarHBondContact O-CG2 3.45Å; D104-V108 PolarHBondContact O-N 3.4Å; K105-V108 PolarHBondContact O-N 2.94Å; V108-K110 PolarHBondContact O-N 2.87Å; V108-S111 PolarHBondContact O-N 3.48Å; V108-Y112 WeakPolarHBondContact O-CB 3.44Å; V108-Y112 PolarHBondContact O-N 3.39Å; V108-L209 HydrophobicContact CG1-CD1 4.01Å; V108-M212 HydrophobicContact CG1-CG 3.9Å; V108-M212 HydrophobicContact CG2-CG 3.76Å; V108-M212 HydrophobicContact CG2-SD 4.21Å; V108-M216 HydrophobicContact CB-CE 4.28Å; V108-M216 HydrophobicContact CG2-CE 3.62Å |
| 109 | K | 97.7 | Very high | 97.6 | Very high | 31 Ų | 31 | 61.7 Ų | 61.7 | 14% | 0.135 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.7 | -49 | 176.7 | -176.7 | -175.7 | 178.3 | -169.5 | 0 | 112.4 | Q18 D19 L22 K105 Q106 Q107 S111 Y112 Q113 | Q18-K109 HydrophobicContact CB-CD 4.27Å; Q18-K109 HydrophobicContact CB-CG 4.33Å; D19-K109 IonicContact OD1-NZ 3.88Å; D19-K109 PolarHBondContact OD1-NZ 2.79Å; D19-K109 IonicContact OD2-NZ 3.66Å; D19-K109 PolarHBondContact OD2-NZ 2.94Å; L22-K109 HydrophobicContact CD1-CD 4.29Å; K105-K109 PolarHBondContact O-N 3.24Å; Q106-K109 PolarHBondContact O-N 2.91Å; Q107-K109 VanDerWaalsContact C-N 3.35Å; K109-S111 VanDerWaalsContact C-N 3.34Å; K109-S111 PolarHBondContact O-N 3.27Å; K109-Y112 PolarHBondContact O-N 3.41Å; K109-Q113 WeakPolarHBondContact O-CG 3.49Å; K109-Q113 PolarHBondContact O-N 3.4Å |
| 110 | K | 97.7 | Very high | 97.4 | Very high | 128 Ų | 128 | 64 Ų | 64 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 177.5 | -72.5 | 176.5 | -177.6 | 176.1 | 0 | 111.8 | Q106 Q107 V108 Q113 S114 | Q106-K110 WeakPolarHBondContact O-CG 3.46Å; Q106-K110 PolarHBondContact O-N 3.34Å; Q106-K110 VanDerWaalsContact O-N 3.14Å; Q107-K110 PolarHBondContact O-N 3.39Å; V108-K110 PolarHBondContact O-N 2.87Å; K110-Q113 PolarHBondContact O-N 2.85Å; K110-S114 WeakPolarHBondContact O-CB 3.42Å; K110-S114 PolarHBondContact O-N 2.84Å |
| 111 | S | 97.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 65.9 Ų | 65.9 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 179.9 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | Q107 V108 K109 S114 L115 | Q107-S111 WeakPolarHBondContact O-CB 3.12Å; Q107-S111 PolarHBondContact O-N 3.44Å; Q107-S111 PolarHBondContact O-OG 3.39Å; V108-S111 PolarHBondContact O-N 3.48Å; K109-S111 VanDerWaalsContact C-N 3.34Å; K109-S111 PolarHBondContact O-N 3.27Å; S111-S114 PolarHBondContact O-N 3.37Å; S111-L115 WeakPolarHBondContact O-CB 3.36Å; S111-L115 VanDerWaalsContact O-CG 3.29Å; S111-L115 WeakPolarHBondContact O-CG 3.38Å; S111-L115 PolarHBondContact O-N 3.25Å |
| 112 | Y | 97.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 174.8 | 168.2 | -107.9 | 0 | 0 | 0 | 112.3 | H11 L14 L15 V108 K109 S114 L115 H116 L205 L206 L209 | H11-Y112 AromaticContact CE1-CE1 3.58Å; H11-Y112 AromaticContact ND1-CE1 3.47Å; H11-Y112 WeakPolarHBondContact ND1-CE1 3.24Å; H11-Y112 AromaticContact ND1-CZ 3.54Å; H11-Y112 PolarHBondContact ND1-OH 2.96Å; L14-Y112 HydrophobicContact CB-CE1 4.42Å; L14-Y112 WeakPolarHBondContact CD1-OH 3.49Å; L15-Y112 HydrophobicContact CD2-CD1 4.01Å; L15-Y112 HydrophobicContact CD2-CE1 3.94Å; V108-Y112 WeakPolarHBondContact O-CB 3.44Å; V108-Y112 PolarHBondContact O-N 3.39Å; K109-Y112 PolarHBondContact O-N 3.41Å; Y112-S114 VanDerWaalsContact C-N 3.34Å; Y112-S114 PolarHBondContact O-N 3.44Å; Y112-L115 PolarHBondContact O-N 2.78Å; Y112-H116 HydrophobicContact CE2-CB 4.39Å; Y112-H116 WeakPolarHBondContact O-CB 3.45Å; Y112-H116 PolarHBondContact O-N 3.04Å; Y112-L205 HydrophobicContact CD2-CD1 4.42Å; Y112-L205 HydrophobicContact CD2-CD2 4.38Å; Y112-L205 HydrophobicContact CD2-CG 4.27Å; Y112-L205 HydrophobicContact CE2-CD2 4.23Å; Y112-L205 HydrophobicContact CE2-CG 4.26Å; Y112-L206 HydrophobicContact CE2-CD2 3.93Å; Y112-L209 HydrophobicContact CD1-CD2 4.21Å; Y112-L209 HydrophobicContact CD2-CB 4.44Å; Y112-L209 HydrophobicContact CD2-CD2 3.79Å; Y112-L209 HydrophobicContact CD2-CG 4.47Å; Y112-L209 HydrophobicContact CE1-CD2 4.2Å; Y112-L209 HydrophobicContact CE2-CD2 3.8Å; Y112-L209 HydrophobicContact CG-CD1 4.35Å; Y112-L209 HydrophobicContact CG-CD2 4Å |
| 113 | Q | 97.3 | Very high | 96.9 | Very high | 69 Ų | 69 | 70.5 Ų | 70.5 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 177.6 | -76.7 | 177.7 | -41.1 | 0 | 0 | 112 | L15 K109 K110 Q117 | L15-Q113 HydrophobicContact CD1-CG 4.44Å; L15-Q113 HydrophobicContact CD2-CG 3.49Å; L15-Q113 VanDerWaalsContact CD2-CG 3.49Å; K109-Q113 WeakPolarHBondContact O-CG 3.49Å; K109-Q113 PolarHBondContact O-N 3.4Å; K110-Q113 PolarHBondContact O-N 2.85Å; Q113-Q117 WeakPolarHBondContact O-CB 3.43Å; Q113-Q117 PolarHBondContact O-N 3.32Å |
| 114 | S | 97.8 | Very high | 96.8 | Very high | 55 Ų | 55 | 67.4 Ų | 67.4 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 178 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | K110 S111 Y112 H116 Q117 Q118 | K110-S114 WeakPolarHBondContact O-CB 3.42Å; K110-S114 PolarHBondContact O-N 2.84Å; S111-S114 PolarHBondContact O-N 3.37Å; Y112-S114 VanDerWaalsContact C-N 3.34Å; Y112-S114 PolarHBondContact O-N 3.44Å; S114-H116 PolarHBondContact O-N 3.15Å; S114-Q117 PolarHBondContact O-N 2.99Å; S114-Q118 VanDerWaalsContact O-CG 3.31Å; S114-Q118 WeakPolarHBondContact O-CG 3.41Å; S114-Q118 PolarHBondContact O-N 3.3Å |
| 115 | L | 97.2 | Very high | 96.7 | Very high | 85 Ų | 85 | 68.7 Ų | 68.7 | 45% | 0.445 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 179.9 | -71.8 | 171.1 | 0 | 0 | 0 | 112.1 | S111 Y112 Q118 L119 L205 | S111-L115 WeakPolarHBondContact O-CB 3.36Å; S111-L115 VanDerWaalsContact O-CG 3.29Å; S111-L115 WeakPolarHBondContact O-CG 3.38Å; S111-L115 PolarHBondContact O-N 3.25Å; Y112-L115 PolarHBondContact O-N 2.78Å; L115-Q118 PolarHBondContact O-N 3.23Å; L115-L119 WeakPolarHBondContact O-CB 3.23Å; L115-L119 PolarHBondContact O-N 2.67Å; L115-L205 HydrophobicContact CB-CD1 4.01Å; L115-L205 HydrophobicContact CB-CD2 4.3Å; L115-L205 HydrophobicContact CD1-CD1 4.07Å |
| 116 | H | 97.1 | Very high | 96.6 | Very high | 34 Ų | 34 | 70 Ų | 70 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 175.9 | -179.4 | -91.2 | 0 | 0 | 0 | 111.4 | H11 Y112 S114 Q118 L119 E120 L205 | H11-H116 AromaticContact CD2-CE1 3.83Å; H11-H116 AromaticContact CD2-ND1 3.96Å; H11-H116 AromaticContact CE1-CE1 3.94Å; H11-H116 AromaticContact CE1-CG 3.7Å; H11-H116 AromaticContact CE1-ND1 3.46Å; H11-H116 PolarHBondContact CE1-ND1 2.94Å; H11-H116 AromaticContact CG-CE1 3.45Å; H11-H116 VanDerWaalsContact CG-CE1 3.45Å; H11-H116 AromaticContact CG-ND1 3.77Å; H11-H116 AromaticContact CG-NE2 3.74Å; H11-H116 AromaticContact ND1-CD2 3.71Å; H11-H116 AromaticContact ND1-CE1 3.54Å; H11-H116 AromaticContact ND1-CG 3.57Å; H11-H116 AromaticContact ND1-ND1 3.46Å; H11-H116 PolarHBondContact ND1-ND1 3.19Å; H11-H116 AromaticContact ND1-NE2 3.67Å; H11-H116 AromaticContact NE2-ND1 3.77Å; Y112-H116 HydrophobicContact CE2-CB 4.39Å; Y112-H116 WeakPolarHBondContact O-CB 3.45Å; Y112-H116 PolarHBondContact O-N 3.04Å; S114-H116 PolarHBondContact O-N 3.15Å; H116-Q118 PolarHBondContact O-N 2.86Å; H116-L119 PolarHBondContact O-N 2.93Å; H116-E120 WeakPolarHBondContact O-CB 3.44Å; H116-E120 PolarHBondContact O-N 3.01Å; H116-L205 HydrophobicContact CB-CD2 4.15Å |
| 117 | Q | 96.6 | Very high | 96.4 | Very high | 140 Ų | 140 | 67.4 Ų | 67.4 | 65% | 0.654 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 177.6 | -174.6 | -178.5 | 8.9 | 0 | 0 | 112.3 | Q113 S114 S121 | Q113-Q117 WeakPolarHBondContact O-CB 3.43Å; Q113-Q117 PolarHBondContact O-N 3.32Å; S114-Q117 PolarHBondContact O-N 2.99Å; Q117-S121 WeakPolarHBondContact O-CB 3.37Å; Q117-S121 PolarHBondContact O-N 3.16Å |
| 118 | Q | 96.4 | Very high | 96.3 | Very high | 121 Ų | 121 | 67.9 Ų | 67.9 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 176 | -74 | 176.7 | 2.7 | 0 | 0 | 111.3 | S114 L115 H116 H122 | S114-Q118 VanDerWaalsContact O-CG 3.31Å; S114-Q118 WeakPolarHBondContact O-CG 3.41Å; S114-Q118 PolarHBondContact O-N 3.3Å; L115-Q118 PolarHBondContact O-N 3.23Å; H116-Q118 PolarHBondContact O-N 2.86Å; Q118-H122 WeakPolarHBondContact O-CB 3.44Å; Q118-H122 PolarHBondContact O-N 3.09Å |
| 119 | L | 95.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 70.2 Ų | 70.2 | 20% | 0.199 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 179.9 | -171.1 | 70.8 | 0 | 0 | 0 | 111.5 | L115 H116 H122 N123 A201 A202 | L115-L119 WeakPolarHBondContact O-CB 3.23Å; L115-L119 PolarHBondContact O-N 2.67Å; H116-L119 PolarHBondContact O-N 2.93Å; L119-H122 PolarHBondContact O-N 3.23Å; L119-N123 WeakPolarHBondContact O-CB 3.25Å; L119-N123 PolarHBondContact O-N 3.28Å; L119-A201 HydrophobicContact CD1-CB 3.75Å; L119-A201 HydrophobicContact CD2-CB 4.19Å; L119-A202 HydrophobicContact CD2-CB 4.23Å |
| 120 | E | 95.1 | Very high | 96 | Very high | 74 Ų | 74 | 71.4 Ų | 71.4 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 177.9 | -77.1 | -58.8 | 138.8 | 0 | 0 | 112.7 | H116 H122 N123 H124 H197 | H116-E120 WeakPolarHBondContact O-CB 3.44Å; H116-E120 PolarHBondContact O-N 3.01Å; E120-H122 PolarHBondContact O-N 2.91Å; E120-N123 PolarHBondContact O-N 2.77Å; E120-H124 VanDerWaalsContact O-CB 3.28Å; E120-H124 WeakPolarHBondContact O-CB 3.39Å; E120-H124 PolarHBondContact O-N 2.94Å; E120-H197 IonicContact OE1-CE1 3.57Å; E120-H197 PolarHBondContact OE1-CE1 3.09Å; E120-H197 IonicContact OE1-NE2 3.31Å; E120-H197 PolarHBondContact OE1-NE2 2.86Å |
| 121 | S | 95.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 66.2 Ų | 66.2 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 177 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | Q117 H124 K125 | Q117-S121 WeakPolarHBondContact O-CB 3.37Å; Q117-S121 PolarHBondContact O-N 3.16Å; S121-H124 PolarHBondContact O-N 2.92Å; S121-K125 WeakPolarHBondContact O-CB 3.5Å; S121-K125 PolarHBondContact O-N 2.77Å |
| 122 | H | 94.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 68 Ų | 68 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.5 | -176.7 | 68.3 | 0 | 0 | 0 | 111.6 | Q118 L119 E120 H124 K125 V126 Q193 | Q118-H122 WeakPolarHBondContact O-CB 3.44Å; Q118-H122 PolarHBondContact O-N 3.09Å; L119-H122 PolarHBondContact O-N 3.23Å; E120-H122 PolarHBondContact O-N 2.91Å; H122-H124 PolarHBondContact O-N 2.86Å; H122-K125 PolarHBondContact O-N 2.93Å; H122-V126 PolarHBondContact O-N 2.72Å; H122-Q193 PolarHBondContact CD2-NE2 3.04Å |
| 123 | N | 95 | Very high | 95.7 | Very high | 18 Ų | 18 | 74.3 Ų | 74.3 | 10% | 0.096 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 176.9 | -174.5 | 48.2 | 0 | 0 | 0 | 111.7 | L119 E120 K125 V126 T127 | L119-N123 WeakPolarHBondContact O-CB 3.25Å; L119-N123 PolarHBondContact O-N 3.28Å; E120-N123 PolarHBondContact O-N 2.77Å; N123-K125 PolarHBondContact O-N 3.1Å; N123-V126 PolarHBondContact O-N 3.37Å; N123-T127 WeakPolarHBondContact O-CB 3.01Å; N123-T127 WeakPolarHBondContact O-CG2 3.36Å; N123-T127 PolarHBondContact O-N 3.42Å; N123-T127 PolarHBondContact O-OG1 3.08Å |
| 124 | H | 95.1 | Very high | 95.7 | Very high | 80 Ų | 80 | 72.9 Ų | 72.9 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.9 | -169.4 | 106.7 | 0 | 0 | 0 | 112.5 | E120 S121 H122 K128 N129 | E120-H124 VanDerWaalsContact O-CB 3.28Å; E120-H124 WeakPolarHBondContact O-CB 3.39Å; E120-H124 PolarHBondContact O-N 2.94Å; S121-H124 PolarHBondContact O-N 2.92Å; H122-H124 PolarHBondContact O-N 2.86Å; H124-K128 VanDerWaalsContact CE1-CD 3.46Å; H124-K128 WeakPolarHBondContact CE1-CD 3.38Å; H124-K128 WeakPolarHBondContact O-CA 3.43Å; H124-K128 WeakPolarHBondContact O-CB 3.15Å; H124-K128 PolarHBondContact O-N 2.76Å; H124-N129 PolarHBondContact CD2-OD1 3.25Å; H124-N129 PolarHBondContact NE2-OD1 3.28Å; H124-N129 PolarHBondContact O-N 2.84Å |
| 125 | K | 95.9 | Very high | 95.6 | Very high | 110 Ų | 110 | 73 Ų | 73 | 48% | 0.478 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -57.9 | -51.9 | 178.2 | -179.2 | -176.5 | 174.2 | -174.7 | 0 | 111.2 | S121 H122 N123 N129 D130 | S121-K125 WeakPolarHBondContact O-CB 3.5Å; S121-K125 PolarHBondContact O-N 2.77Å; H122-K125 PolarHBondContact O-N 2.93Å; N123-K125 PolarHBondContact O-N 3.1Å; K125-N129 PolarHBondContact O-N 2.84Å; K125-D130 PolarHBondContact O-N 2.89Å |
| 126 | V | 94.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 71.6 Ų | 71.6 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | I | π-helix | trans | -72.1 | -43.1 | -175.9 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | H122 N123 A190 Q193 | H122-V126 PolarHBondContact O-N 2.72Å; N123-V126 PolarHBondContact O-N 3.37Å; V126-A190 HydrophobicContact CG1-CB 4.36Å; V126-Q193 HydrophobicContact CB-CG 4.23Å; V126-Q193 HydrophobicContact CG1-CB 4.11Å; V126-Q193 HydrophobicContact CG1-CG 4.15Å |
| 127 | T | 95.4 | Very high | 95.6 | Very high | 27 Ų | 27 | 72.7 Ų | 72.7 | 17% | 0.166 | 37% | 0.369 | C | S | . | . | I | π-helix | trans | -85.8 | -20.5 | -172.3 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | N123 L131 A190 Q194 | N123-T127 WeakPolarHBondContact O-CB 3.01Å; N123-T127 WeakPolarHBondContact O-CG2 3.36Å; N123-T127 PolarHBondContact O-N 3.42Å; N123-T127 PolarHBondContact O-OG1 3.08Å; T127-L131 WeakPolarHBondContact O-CD1 3.41Å; T127-A190 HydrophobicContact CG2-CB 4.45Å; T127-Q194 HydrophobicContact CG2-CB 4.02Å |
| 128 | K | 94.4 | Very high | 95.6 | Very high | 120 Ų | 120 | 69 Ų | 69 | 52% | 0.522 | 35% | 0.35 | S | S | . | . | I | π-helix | trans | -122.8 | -63.3 | -179.4 | -66.8 | -177.7 | 174.4 | -178.3 | 0 | 112.6 | H124 D130 L131 E132 | H124-K128 VanDerWaalsContact CE1-CD 3.46Å; H124-K128 WeakPolarHBondContact CE1-CD 3.38Å; H124-K128 WeakPolarHBondContact O-CA 3.43Å; H124-K128 WeakPolarHBondContact O-CB 3.15Å; H124-K128 PolarHBondContact O-N 2.76Å; K128-D130 PolarHBondContact O-N 2.94Å; K128-L131 PolarHBondContact O-N 3.16Å; K128-E132 WeakPolarHBondContact O-CG 2.96Å; K128-E132 PolarHBondContact O-N 2.89Å |
| 129 | N | 95.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 70.1 Ų | 70.1 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | I | π-helix | trans | -61.7 | -49 | -168.6 | -68.2 | -14.1 | 0 | 0 | 0 | 112.7 | H124 K125 E132 K133 | H124-N129 PolarHBondContact CD2-OD1 3.25Å; H124-N129 PolarHBondContact NE2-OD1 3.28Å; H124-N129 PolarHBondContact O-N 2.84Å; K125-N129 PolarHBondContact O-N 2.84Å; N129-E132 PolarHBondContact O-N 2.71Å; N129-K133 WeakPolarHBondContact O-CG 3.42Å; N129-K133 PolarHBondContact O-N 3.38Å |
| 130 | D | 94.5 | Very high | 95.7 | Very high | 57 Ų | 57 | 72 Ų | 72 | 31% | 0.305 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.7 | -36.3 | -177.4 | -66.6 | -18.6 | 0 | 0 | 0 | 111 | K125 K128 L134 | K125-D130 PolarHBondContact O-N 2.89Å; K128-D130 PolarHBondContact O-N 2.94Å; D130-L134 WeakPolarHBondContact O-CG 3.37Å; D130-L134 PolarHBondContact O-N 2.99Å |
| 131 | L | 95.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 70.5 Ų | 70.5 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.6 | -41.7 | 174.9 | -66.1 | -168.6 | 0 | 0 | 0 | 112.9 | T127 K128 K133 L134 K135 Y183 A186 V187 A190 | T127-L131 WeakPolarHBondContact O-CD1 3.41Å; K128-L131 PolarHBondContact O-N 3.16Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.96Å; L131-L134 PolarHBondContact O-N 2.99Å; L131-K135 WeakPolarHBondContact O-CB 3.46Å; L131-K135 VanDerWaalsContact O-CG 3.31Å; L131-K135 WeakPolarHBondContact O-CG 3.47Å; L131-K135 PolarHBondContact O-N 2.99Å; L131-Y183 HydrophobicContact CD2-CE2 4.46Å; L131-A186 HydrophobicContact CD2-CB 3.84Å; L131-V187 HydrophobicContact CD1-CG2 4.43Å; L131-V187 HydrophobicContact CD2-CG2 4.04Å; L131-A190 HydrophobicContact CD1-CB 3.81Å; L131-A190 HydrophobicContact CD2-CB 4.34Å; L131-A190 HydrophobicContact CG-CB 4.25Å |
| 132 | E | 95.9 | Very high | 95.8 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 178.7 | -75.3 | -53.2 | 133 | 0 | 0 | 112.2 | K128 N129 L134 K135 A136 | K128-E132 WeakPolarHBondContact O-CG 2.96Å; K128-E132 PolarHBondContact O-N 2.89Å; N129-E132 PolarHBondContact O-N 2.71Å; E132-L134 VanDerWaalsContact C-N 3.35Å; E132-L134 PolarHBondContact O-N 2.65Å; E132-K135 PolarHBondContact O-N 2.72Å; E132-K135 WeakPolarHBondContact OE1-CD 3.47Å; E132-K135 IonicContact OE1-NZ 3.74Å; E132-K135 PolarHBondContact OE1-NZ 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.4Å; E132-A136 PolarHBondContact O-N 3.17Å |
| 133 | K | 95.3 | Very high | 95.8 | Very high | 139 Ų | 139 | 70.7 Ų | 70.7 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.8 | -45 | 171.9 | -72.8 | 174.3 | -176.9 | 174.4 | 0 | 111.7 | N129 L131 S137 | N129-K133 WeakPolarHBondContact O-CG 3.42Å; N129-K133 PolarHBondContact O-N 3.38Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.96Å; K133-S137 PolarHBondContact O-N 2.89Å; K133-S137 VanDerWaalsContact O-N 3.11Å; K133-S137 PolarHBondContact O-OG 3.38Å |
| 134 | L | 96.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 72.9 Ų | 72.9 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 177.2 | -72.2 | 171 | 0 | 0 | 0 | 111.6 | D130 L131 E132 A136 S137 Y138 L179 Y183 A186 | D130-L134 WeakPolarHBondContact O-CG 3.37Å; D130-L134 PolarHBondContact O-N 2.99Å; L131-L134 PolarHBondContact O-N 2.99Å; E132-L134 VanDerWaalsContact C-N 3.35Å; E132-L134 PolarHBondContact O-N 2.65Å; L134-A136 PolarHBondContact O-N 3.13Å; L134-S137 PolarHBondContact O-N 3.18Å; L134-Y138 VanDerWaalsContact O-CB 3.27Å; L134-Y138 WeakPolarHBondContact O-CB 3.34Å; L134-Y138 PolarHBondContact O-N 3.04Å; L134-L179 HydrophobicContact CD2-CD1 3.72Å; L134-Y183 HydrophobicContact CB-CD2 3.84Å; L134-Y183 HydrophobicContact CD1-CD2 4.45Å; L134-A186 HydrophobicContact CD1-CB 3.41Å; L134-A186 VanDerWaalsContact CD1-CB 3.41Å |
| 135 | K | 96.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 69.3 Ų | 69.3 | 25% | 0.248 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 176 | -73.1 | 175.2 | -166 | 169.1 | 0 | 112.3 | L131 E132 Y138 R139 Y183 | L131-K135 WeakPolarHBondContact O-CB 3.46Å; L131-K135 VanDerWaalsContact O-CG 3.31Å; L131-K135 WeakPolarHBondContact O-CG 3.47Å; L131-K135 PolarHBondContact O-N 2.99Å; E132-K135 PolarHBondContact O-N 2.72Å; E132-K135 WeakPolarHBondContact OE1-CD 3.47Å; E132-K135 IonicContact OE1-NZ 3.74Å; E132-K135 PolarHBondContact OE1-NZ 3.25Å; K135-Y138 WeakPolarHBondContact O-CB 3.28Å; K135-Y138 PolarHBondContact O-N 2.98Å; K135-R139 WeakPolarHBondContact O-CG 3.37Å; K135-R139 PolarHBondContact O-N 3.45Å; K135-Y183 VanDerWaalsContact CE-OH 3.25Å; K135-Y183 WeakPolarHBondContact CE-OH 3.18Å; K135-Y183 HydrophobicContact CG-CE2 3.66Å |
| 136 | A | 96.3 | Very high | 95.6 | Very high | 55 Ų | 55 | 68 Ų | 68 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E132 L134 Y138 R139 Q140 | E132-A136 WeakPolarHBondContact O-CB 3.4Å; E132-A136 PolarHBondContact O-N 3.17Å; L134-A136 PolarHBondContact O-N 3.13Å; A136-Y138 VanDerWaalsContact C-N 3.3Å; A136-Y138 PolarHBondContact O-N 3.49Å; A136-R139 PolarHBondContact O-N 3.38Å; A136-Q140 PolarHBondContact O-N 2.84Å; A136-Q140 VanDerWaalsContact O-N 3.1Å |
| 137 | S | 96.5 | Very high | 95.6 | Very high | 58 Ų | 58 | 70 Ų | 70 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 175.4 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | K133 L134 Q140 L141 L179 | K133-S137 PolarHBondContact O-N 2.89Å; K133-S137 VanDerWaalsContact O-N 3.11Å; K133-S137 PolarHBondContact O-OG 3.38Å; L134-S137 PolarHBondContact O-N 3.18Å; S137-Q140 PolarHBondContact O-N 3.05Å; S137-L141 PolarHBondContact O-N 3.22Å; S137-L179 VanDerWaalsContact C-CD2 3.47Å |
| 138 | Y | 97.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 69.6 Ų | 69.6 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 179.1 | -163.9 | -60.5 | 0 | 0 | 0 | 110.9 | L134 K135 A136 Q140 L141 S142 L176 H180 Y183 | L134-Y138 VanDerWaalsContact O-CB 3.27Å; L134-Y138 WeakPolarHBondContact O-CB 3.34Å; L134-Y138 PolarHBondContact O-N 3.04Å; K135-Y138 WeakPolarHBondContact O-CB 3.28Å; K135-Y138 PolarHBondContact O-N 2.98Å; A136-Y138 VanDerWaalsContact C-N 3.3Å; A136-Y138 PolarHBondContact O-N 3.49Å; Y138-Q140 VanDerWaalsContact C-N 3.25Å; Y138-Q140 PolarHBondContact O-N 3.11Å; Y138-L141 PolarHBondContact O-N 3.35Å; Y138-S142 VanDerWaalsContact O-CB 3.23Å; Y138-S142 WeakPolarHBondContact O-CB 3.45Å; Y138-S142 PolarHBondContact O-N 3.02Å; Y138-L176 HydrophobicContact CD1-CD1 4.07Å; Y138-L176 HydrophobicContact CE1-CD1 3.84Å; Y138-H180 HydrophobicContact CE2-CB 3.69Å; Y138-H180 AromaticContact CE2-ND1 3.55Å; Y138-H180 AromaticContact CZ-ND1 3.63Å; Y138-H180 PolarHBondContact OH-ND1 3.18Å; Y138-Y183 HydrophobicContact CD2-CD1 4.23Å; Y138-Y183 HydrophobicContact CD2-CG 4.32Å; Y138-Y183 HydrophobicContact CE2-CD1 4.32Å |
| 139 | R | 97.2 | Very high | 95.4 | Very high | 143 Ų | 143 | 67.4 Ų | 67.4 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 176.4 | -69.5 | 176.7 | -167.2 | 120.2 | -2.6 | 111.3 | K135 A136 R143 | K135-R139 WeakPolarHBondContact O-CG 3.37Å; K135-R139 PolarHBondContact O-N 3.45Å; A136-R139 PolarHBondContact O-N 3.38Å; R139-R143 WeakPolarHBondContact O-CG 3.32Å; R139-R143 PolarHBondContact O-N 3.15Å; R139-R143 VanDerWaalsContact O-N 3.15Å |
| 140 | Q | 96 | Very high | 95.2 | Very high | 79 Ų | 79 | 69.1 Ų | 69.1 | 37% | 0.369 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -55 | 176.8 | -175.1 | 56.9 | 37.8 | 0 | 0 | 111.8 | A136 S137 Y138 S142 R143 D144 | A136-Q140 PolarHBondContact O-N 2.84Å; A136-Q140 VanDerWaalsContact O-N 3.1Å; S137-Q140 PolarHBondContact O-N 3.05Å; Y138-Q140 VanDerWaalsContact C-N 3.25Å; Y138-Q140 PolarHBondContact O-N 3.11Å; Q140-S142 PolarHBondContact O-N 3.34Å; Q140-R143 WeakPolarHBondContact O-CB 3.5Å; Q140-R143 PolarHBondContact O-N 3.39Å; Q140-R143 VanDerWaalsContact O-N 3.08Å; Q140-D144 PolarHBondContact NE2-OD1 3.41Å; Q140-D144 PolarHBondContact NE2-OD2 3.33Å; Q140-D144 PolarHBondContact O-N 2.87Å |
| 141 | L | 96.3 | Very high | 95 | Very high | 41 Ų | 41 | 73.3 Ų | 73.3 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64 | -29.4 | -179.4 | -68.1 | -172.9 | 0 | 0 | 0 | 112.7 | S137 Y138 D144 A145 K175 L176 L179 | S137-L141 PolarHBondContact O-N 3.22Å; Y138-L141 PolarHBondContact O-N 3.35Å; L141-D144 PolarHBondContact O-N 3.39Å; L141-A145 VanDerWaalsContact O-CB 3.29Å; L141-A145 WeakPolarHBondContact O-CB 3.4Å; L141-A145 PolarHBondContact O-N 3.44Å; L141-K175 HydrophobicContact CD1-CB 4.23Å; L141-L176 HydrophobicContact CB-CB 4.39Å; L141-L176 HydrophobicContact CB-CD1 4.02Å; L141-L179 HydrophobicContact CD1-CB 4.03Å; L141-L179 HydrophobicContact CD1-CD2 3.6Å; L141-L179 HydrophobicContact CD1-CG 4.45Å; L141-L179 HydrophobicContact CG-CD2 4.25Å |
| 142 | S | 96.7 | Very high | 94.7 | Very high | 37 Ų | 37 | 75.2 Ų | 75.2 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | Y138 Q140 N146 | Y138-S142 VanDerWaalsContact O-CB 3.23Å; Y138-S142 WeakPolarHBondContact O-CB 3.45Å; Y138-S142 PolarHBondContact O-N 3.02Å; Q140-S142 PolarHBondContact O-N 3.34Å; S142-N146 WeakPolarHBondContact O-CB 3.42Å; S142-N146 VanDerWaalsContact O-CG 3.31Å; S142-N146 PolarHBondContact O-N 3.41Å; S142-N146 PolarHBondContact O-ND2 3.43Å |
| 143 | R | 95.9 | Very high | 94.3 | Very high | 143 Ų | 143 | 78.4 Ų | 78.4 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 172.4 | -71.9 | -175.3 | -68.6 | -173.6 | 0.3 | 111.3 | R139 Q140 A145 N146 N147 | R139-R143 WeakPolarHBondContact O-CG 3.32Å; R139-R143 PolarHBondContact O-N 3.15Å; R139-R143 VanDerWaalsContact O-N 3.15Å; Q140-R143 WeakPolarHBondContact O-CB 3.5Å; Q140-R143 PolarHBondContact O-N 3.39Å; Q140-R143 VanDerWaalsContact O-N 3.08Å; R143-A145 PolarHBondContact O-N 3.18Å; R143-N146 PolarHBondContact O-N 2.88Å; R143-N147 WeakPolarHBondContact O-CB 3.47Å; R143-N147 PolarHBondContact O-N 2.86Å; R143-N147 PolarHBondContact O-ND2 3.4Å; R143-N147 PolarHBondContact O-OD1 2.85Å |
| 144 | D | 94.4 | Very high | 94 | Very high | 64 Ų | 64 | 76.5 Ų | 76.5 | 34% | 0.342 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | -179.8 | -64.1 | -22.4 | 0 | 0 | 0 | 112.1 | Q140 L141 N147 A148 | Q140-D144 PolarHBondContact NE2-OD1 3.41Å; Q140-D144 PolarHBondContact NE2-OD2 3.33Å; Q140-D144 PolarHBondContact O-N 2.87Å; L141-D144 PolarHBondContact O-N 3.39Å; D144-N147 PolarHBondContact O-N 3.31Å; D144-A148 WeakPolarHBondContact O-CB 3.13Å; D144-A148 PolarHBondContact O-N 2.89Å |
| 145 | A | 94 | Very high | 93.4 | Very high | 4 Ų | 4 | 75.3 Ų | 75.3 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L141 R143 A148 K149 A172 L176 | L141-A145 VanDerWaalsContact O-CB 3.29Å; L141-A145 WeakPolarHBondContact O-CB 3.4Å; L141-A145 PolarHBondContact O-N 3.44Å; R143-A145 PolarHBondContact O-N 3.18Å; A145-A148 PolarHBondContact O-N 3.47Å; A145-K149 WeakPolarHBondContact O-CB 3.29Å; A145-K149 PolarHBondContact O-N 3.23Å; A145-A172 HydrophobicContact CB-CB 4.39Å; A145-L176 HydrophobicContact CB-CD2 3.91Å |
| 146 | N | 93.8 | Very high | 92.9 | Very high | 82 Ų | 82 | 77.3 Ų | 77.3 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.1 | -76.3 | -23 | 0 | 0 | 0 | 111.7 | S142 R143 A148 K149 E150 | S142-N146 WeakPolarHBondContact O-CB 3.42Å; S142-N146 VanDerWaalsContact O-CG 3.31Å; S142-N146 PolarHBondContact O-N 3.41Å; S142-N146 PolarHBondContact O-ND2 3.43Å; R143-N146 PolarHBondContact O-N 2.88Å; N146-A148 VanDerWaalsContact C-N 3.33Å; N146-A148 PolarHBondContact O-N 2.87Å; N146-K149 VanDerWaalsContact O-CB 3.29Å; N146-K149 WeakPolarHBondContact O-CB 3.41Å; N146-K149 PolarHBondContact O-N 3.03Å; N146-K149 VanDerWaalsContact O-N 3.15Å; N146-E150 PolarHBondContact O-N 3.15Å |
| 147 | N | 93.9 | Very high | 92.3 | Very high | 80 Ų | 80 | 79.3 Ų | 79.3 | 43% | 0.428 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176 | -69.1 | -16 | 0 | 0 | 0 | 111.6 | R143 D144 K149 E150 K151 | R143-N147 WeakPolarHBondContact O-CB 3.47Å; R143-N147 PolarHBondContact O-N 2.86Å; R143-N147 PolarHBondContact O-ND2 3.4Å; R143-N147 PolarHBondContact O-OD1 2.85Å; D144-N147 PolarHBondContact O-N 3.31Å; N147-K149 VanDerWaalsContact C-N 3.33Å; N147-E150 PolarHBondContact O-N 2.82Å; N147-K151 WeakPolarHBondContact O-CG 3.5Å; N147-K151 PolarHBondContact O-N 3.4Å; N147-K151 VanDerWaalsContact O-N 3.07Å |
| 148 | A | 92.2 | Very high | 91.6 | Very high | 19 Ų | 19 | 83.2 Ų | 83.2 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | D144 A145 N146 Y152 Y169 A172 | D144-A148 WeakPolarHBondContact O-CB 3.13Å; D144-A148 PolarHBondContact O-N 2.89Å; A145-A148 PolarHBondContact O-N 3.47Å; N146-A148 VanDerWaalsContact C-N 3.33Å; N146-A148 PolarHBondContact O-N 2.87Å; A148-Y152 WeakPolarHBondContact O-CB 3.48Å; A148-Y152 PolarHBondContact O-N 3.38Å; A148-Y169 HydrophobicContact CB-CD2 4.25Å; A148-A172 HydrophobicContact CB-CB 4.16Å |
| 149 | K | 92.7 | Very high | 90.4 | Very high | 74 Ų | 74 | 83.4 Ų | 83.4 | 32% | 0.322 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 175.1 | -169.6 | 178.9 | 178 | 176.3 | 0 | 112.2 | A145 N146 N147 Y152 R153 Y169 | A145-K149 WeakPolarHBondContact O-CB 3.29Å; A145-K149 PolarHBondContact O-N 3.23Å; N146-K149 VanDerWaalsContact O-CB 3.29Å; N146-K149 WeakPolarHBondContact O-CB 3.41Å; N146-K149 PolarHBondContact O-N 3.03Å; N146-K149 VanDerWaalsContact O-N 3.15Å; N147-K149 VanDerWaalsContact C-N 3.33Å; K149-Y152 PolarHBondContact O-N 2.69Å; K149-R153 WeakPolarHBondContact O-CG 3.31Å; K149-R153 PolarHBondContact O-N 3.14Å; K149-Y169 HydrophobicContact CB-CD2 3.75Å; K149-Y169 HydrophobicContact CB-CE2 3.45Å; K149-Y169 VanDerWaalsContact CB-CE2 3.45Å; K149-Y169 HydrophobicContact CD-CE2 4.17Å; K149-Y169 HydrophobicContact CG-CD2 4.38Å; K149-Y169 HydrophobicContact CG-CE2 3.79Å |
| 150 | E | 91.9 | Very high | 89.2 | Confident | 112 Ų | 112 | 86.3 Ų | 86.3 | 52% | 0.523 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 176.6 | -73.1 | 178.1 | 177 | 0 | 0 | 111.1 | N146 N147 Y152 R153 E154 | N146-E150 PolarHBondContact O-N 3.15Å; N147-E150 PolarHBondContact O-N 2.82Å; E150-Y152 VanDerWaalsContact C-N 3.29Å; E150-Y152 PolarHBondContact O-N 2.84Å; E150-R153 WeakPolarHBondContact O-CB 3.1Å; E150-R153 PolarHBondContact O-N 3.28Å; E150-R153 VanDerWaalsContact O-N 3.12Å; E150-E154 PolarHBondContact O-N 3.35Å |
| 151 | K | 89.4 | Confident | 88.3 | Confident | 146 Ų | 146 | 88.5 Ų | 88.5 | 64% | 0.635 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.4 | -37.5 | 175.7 | -72.5 | 178.7 | -179.5 | -177.9 | 0 | 113.1 | N147 A155 | N147-K151 WeakPolarHBondContact O-CG 3.5Å; N147-K151 PolarHBondContact O-N 3.4Å; N147-K151 VanDerWaalsContact O-N 3.07Å; K151-A155 WeakPolarHBondContact O-CB 3.14Å; K151-A155 PolarHBondContact O-N 3.34Å |
| 152 | Y | 90 | Very high | 87.5 | Confident | 58 Ų | 58 | 88.1 Ų | 88.1 | 23% | 0.227 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 174.3 | 173.9 | -120 | 0 | 0 | 0 | 112.3 | A148 K149 E150 E154 A155 L156 A162 A165 R166 Y169 | A148-Y152 WeakPolarHBondContact O-CB 3.48Å; A148-Y152 PolarHBondContact O-N 3.38Å; K149-Y152 PolarHBondContact O-N 2.69Å; E150-Y152 VanDerWaalsContact C-N 3.29Å; E150-Y152 PolarHBondContact O-N 2.84Å; Y152-E154 VanDerWaalsContact C-N 3.32Å; Y152-E154 PolarHBondContact O-N 3.13Å; Y152-A155 PolarHBondContact O-N 3.04Å; Y152-L156 HydrophobicContact CD1-CD1 4.15Å; Y152-L156 HydrophobicContact CD2-CD1 3.91Å; Y152-L156 HydrophobicContact CE1-CD1 3.58Å; Y152-L156 HydrophobicContact CE2-CD1 3.29Å; Y152-L156 HydrophobicContact CG-CD1 4.32Å; Y152-L156 PolarHBondContact O-N 3.32Å; Y152-L156 WeakPolarHBondContact OH-CD1 3.34Å; Y152-A162 WeakPolarHBondContact CE2-O 3.33Å; Y152-A165 HydrophobicContact CD2-CB 4.08Å; Y152-R166 HydrophobicContact CD2-CB 3.93Å; Y152-R166 HydrophobicContact CE2-CB 3.46Å; Y152-R166 VanDerWaalsContact CE2-CB 3.46Å; Y152-R166 HydrophobicContact CE2-CG 3.98Å; Y152-Y169 HydrophobicContact CD1-CD1 4.47Å |
| 153 | R | 88.6 | Confident | 86.8 | Confident | 154 Ų | 154 | 93.6 Ų | 93.6 | 58% | 0.581 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.1 | -43.2 | 174.4 | -75.7 | 175.6 | 172.6 | 174.2 | -6.1 | 111.8 | K149 E150 L156 S157 | K149-R153 WeakPolarHBondContact O-CG 3.31Å; K149-R153 PolarHBondContact O-N 3.14Å; E150-R153 WeakPolarHBondContact O-CB 3.1Å; E150-R153 PolarHBondContact O-N 3.28Å; E150-R153 VanDerWaalsContact O-N 3.12Å; R153-L156 WeakPolarHBondContact O-CB 3.45Å; R153-L156 PolarHBondContact O-N 3.43Å; R153-S157 PolarHBondContact O-N 3Å |
| 154 | E | 87.2 | Confident | 86.3 | Confident | 98 Ų | 98 | 94 Ų | 94 | 46% | 0.458 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63 | -46 | 175.6 | -73.8 | -172.6 | -153.3 | 0 | 0 | 112.4 | E150 Y152 L156 S157 K158 | E150-E154 PolarHBondContact O-N 3.35Å; Y152-E154 VanDerWaalsContact C-N 3.32Å; Y152-E154 PolarHBondContact O-N 3.13Å; E154-L156 VanDerWaalsContact C-N 3.27Å; E154-L156 PolarHBondContact O-N 3.47Å; E154-S157 PolarHBondContact O-N 3.26Å; E154-S157 VanDerWaalsContact O-N 3.14Å; E154-S157 PolarHBondContact O-OG 2.93Å; E154-K158 WeakPolarHBondContact O-CG 3.25Å; E154-K158 PolarHBondContact O-N 2.8Å; E154-K158 IonicContact OE2-NZ 3.71Å; E154-K158 PolarHBondContact OE2-NZ 3.03Å |
| 155 | A | 85.5 | Confident | 85.9 | Confident | 14 Ų | 14 | 91.6 Ų | 91.6 | 12% | 0.116 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.2 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K151 Y152 G159 A165 | K151-A155 WeakPolarHBondContact O-CB 3.14Å; K151-A155 PolarHBondContact O-N 3.34Å; Y152-A155 PolarHBondContact O-N 3.04Å; A155-G159 PolarHBondContact O-N 2.94Å; A155-G159 VanDerWaalsContact O-N 3.14Å; A155-A165 HydrophobicContact CB-CB 3.84Å |
| 156 | L | 84.8 | Confident | 85.6 | Confident | 100 Ų | 100 | 98 Ų | 98 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 172.1 | -116.4 | 117.9 | 0 | 0 | 0 | 112.2 | Y152 R153 E154 K158 | Y152-L156 HydrophobicContact CD1-CD1 4.15Å; Y152-L156 HydrophobicContact CD2-CD1 3.91Å; Y152-L156 HydrophobicContact CE1-CD1 3.58Å; Y152-L156 HydrophobicContact CE2-CD1 3.29Å; Y152-L156 HydrophobicContact CG-CD1 4.32Å; Y152-L156 PolarHBondContact O-N 3.32Å; Y152-L156 WeakPolarHBondContact OH-CD1 3.34Å; R153-L156 WeakPolarHBondContact O-CB 3.45Å; R153-L156 PolarHBondContact O-N 3.43Å; E154-L156 VanDerWaalsContact C-N 3.27Å; E154-L156 PolarHBondContact O-N 3.47Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 2.91Å |
| 157 | S | 83.7 | Confident | 85.4 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 67% | 0.671 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.7 | -30 | -179.5 | 70.7 | 0 | 0 | 0 | 0 | 113.5 | R153 E154 | R153-S157 PolarHBondContact O-N 3Å; E154-S157 PolarHBondContact O-N 3.26Å; E154-S157 VanDerWaalsContact O-N 3.14Å; E154-S157 PolarHBondContact O-OG 2.93Å |
| 158 | K | 83.3 | Confident | 85.2 | Confident | 141 Ų | 141 | 104.6 Ų | 104.6 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -94.4 | -5.2 | -177.3 | -66.7 | 172.6 | -177 | 165.3 | 0 | 113.7 | E154 L156 R160 | E154-K158 WeakPolarHBondContact O-CG 3.25Å; E154-K158 PolarHBondContact O-N 2.8Å; E154-K158 IonicContact OE2-NZ 3.71Å; E154-K158 PolarHBondContact OE2-NZ 3.03Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 2.91Å; K158-R160 VanDerWaalsContact C-N 3.28Å; K158-R160 PolarHBondContact O-N 2.79Å |
| 159 | G | 71.4 | Confident | 85.2 | Confident | 66 Ų | 66 | 106.2 Ų | 106.2 | 68% | 0.68 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 20.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | A155 | A155-G159 PolarHBondContact O-N 2.94Å; A155-G159 VanDerWaalsContact O-N 3.14Å |
| 160 | R | 71.9 | Confident | 85.3 | Confident | 205 Ų | 205 | 106.3 Ų | 106.3 | 77% | 0.774 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -129.6 | 134.7 | -178.7 | -65.8 | -173.8 | -173.1 | -171.6 | 2 | 111.2 | K158 A162 | K158-R160 VanDerWaalsContact C-N 3.28Å; K158-R160 PolarHBondContact O-N 2.79Å; R160-A162 PolarHBondContact O-N 2.55Å; R160-A162 VanDerWaalsContact O-N 3.15Å |
| 161 | E | 77.1 | Confident | 85.4 | Confident | 124 Ų | 124 | 107.8 Ų | 107.8 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 54.5 | 25.1 | 176.4 | -57.3 | -160.9 | 125.5 | 0 | 0 | 116.8 | E163 R164 A165 | E161-E163 VanDerWaalsContact C-N 3.31Å; E161-E163 PolarHBondContact O-N 3.09Å; E161-R164 PolarHBondContact O-N 2.97Å; E161-R164 IonicContact OE1-CZ 3.94Å; E161-R164 IonicContact OE1-NH1 2.88Å; E161-R164 PolarHBondContact OE1-NH1 2.82Å; E161-A165 PolarHBondContact O-N 3.21Å |
| 162 | A | 78.8 | Confident | 85.5 | Confident | 33 Ų | 33 | 101.8 Ų | 101.8 | 27% | 0.273 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.5 | -35.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y152 R160 A165 R166 | Y152-A162 WeakPolarHBondContact CE2-O 3.33Å; R160-A162 PolarHBondContact O-N 2.55Å; R160-A162 VanDerWaalsContact O-N 3.15Å; A162-A165 PolarHBondContact O-N 3.5Å; A162-R166 PolarHBondContact O-N 3.25Å |
| 163 | E | 82.9 | Confident | 85.7 | Confident | 153 Ų | 153 | 100 Ų | 100 | 72% | 0.715 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.2 | -44.3 | -179.5 | -167.2 | 173.4 | -156.4 | 0 | 0 | 112.5 | E161 A165 R166 E167 | E161-E163 VanDerWaalsContact C-N 3.31Å; E161-E163 PolarHBondContact O-N 3.09Å; E163-A165 VanDerWaalsContact C-N 3.31Å; E163-A165 PolarHBondContact O-N 2.69Å; E163-R166 VanDerWaalsContact O-CB 3.31Å; E163-R166 WeakPolarHBondContact O-CB 3.4Å; E163-R166 PolarHBondContact O-N 3.39Å; E163-E167 PolarHBondContact O-N 2.88Å |
| 164 | R | 84.7 | Confident | 86.1 | Confident | 150 Ų | 150 | 94.9 Ų | 94.9 | 57% | 0.566 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.7 | -36.4 | 174.3 | -70.3 | 178.6 | 176.9 | 172.1 | -4.1 | 112.3 | E161 R168 | E161-R164 PolarHBondContact O-N 2.97Å; E161-R164 IonicContact OE1-CZ 3.94Å; E161-R164 IonicContact OE1-NH1 2.88Å; E161-R164 PolarHBondContact OE1-NH1 2.82Å; R164-R168 WeakPolarHBondContact O-CG 3.49Å; R164-R168 PolarHBondContact O-N 2.99Å |
| 165 | A | 85.4 | Confident | 86.5 | Confident | 14 Ų | 14 | 95.9 Ų | 95.9 | 12% | 0.116 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -69.7 | -35.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y152 A155 E161 A162 E163 R168 Y169 | Y152-A165 HydrophobicContact CD2-CB 4.08Å; A155-A165 HydrophobicContact CB-CB 3.84Å; E161-A165 PolarHBondContact O-N 3.21Å; A162-A165 PolarHBondContact O-N 3.5Å; E163-A165 VanDerWaalsContact C-N 3.31Å; E163-A165 PolarHBondContact O-N 2.69Å; A165-R168 PolarHBondContact O-N 3.23Å; A165-Y169 PolarHBondContact O-N 3.26Å; A165-Y169 VanDerWaalsContact O-N 3.08Å |
| 166 | R | 88.6 | Confident | 87 | Confident | 138 Ų | 138 | 96.3 Ų | 96.3 | 52% | 0.521 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61 | -51.1 | 172.8 | -170.8 | -178.9 | 168 | -180 | -0.6 | 111.7 | Y152 A162 E163 R168 Y169 D170 | Y152-R166 HydrophobicContact CD2-CB 3.93Å; Y152-R166 HydrophobicContact CE2-CB 3.46Å; Y152-R166 VanDerWaalsContact CE2-CB 3.46Å; Y152-R166 HydrophobicContact CE2-CG 3.98Å; A162-R166 PolarHBondContact O-N 3.25Å; E163-R166 VanDerWaalsContact O-CB 3.31Å; E163-R166 WeakPolarHBondContact O-CB 3.4Å; E163-R166 PolarHBondContact O-N 3.39Å; R166-R168 VanDerWaalsContact C-N 3.28Å; R166-R168 PolarHBondContact O-N 2.81Å; R166-Y169 WeakPolarHBondContact O-CB 3.39Å; R166-Y169 PolarHBondContact O-N 3.34Å; R166-Y169 VanDerWaalsContact O-N 3.07Å; R166-D170 IonicContact NE-OD2 3.8Å; R166-D170 PolarHBondContact O-N 3.37Å |
| 167 | E | 89.6 | Confident | 87.6 | Confident | 128 Ų | 128 | 96.8 Ų | 96.8 | 60% | 0.598 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.2 | -39.7 | 179.2 | -72 | -178.4 | 167.4 | 0 | 0 | 112.6 | E163 D170 K171 | E163-E167 PolarHBondContact O-N 2.88Å; E167-D170 PolarHBondContact O-N 3.27Å; E167-K171 VanDerWaalsContact O-CB 3.27Å; E167-K171 WeakPolarHBondContact O-CB 3.26Å; E167-K171 PolarHBondContact O-N 2.68Å |
| 168 | R | 89.6 | Confident | 88.2 | Confident | 173 Ų | 173 | 97 Ų | 97 | 65% | 0.653 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 175.8 | -71.5 | 177.5 | -172.7 | 156.6 | 2.3 | 111.9 | R164 A165 R166 A172 | R164-R168 WeakPolarHBondContact O-CG 3.49Å; R164-R168 PolarHBondContact O-N 2.99Å; A165-R168 PolarHBondContact O-N 3.23Å; R166-R168 VanDerWaalsContact C-N 3.28Å; R166-R168 PolarHBondContact O-N 2.81Å; R168-A172 WeakPolarHBondContact O-CB 3.38Å; R168-A172 PolarHBondContact O-N 3.14Å |
| 169 | Y | 92.7 | Very high | 88.8 | Confident | 53 Ų | 53 | 91.4 Ų | 91.4 | 21% | 0.208 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 175.2 | 172.7 | -116.6 | 0 | 0 | 0 | 111.8 | A148 K149 Y152 A165 R166 K171 A172 T173 | A148-Y169 HydrophobicContact CB-CD2 4.25Å; K149-Y169 HydrophobicContact CB-CD2 3.75Å; K149-Y169 HydrophobicContact CB-CE2 3.45Å; K149-Y169 VanDerWaalsContact CB-CE2 3.45Å; K149-Y169 HydrophobicContact CD-CE2 4.17Å; K149-Y169 HydrophobicContact CG-CD2 4.38Å; K149-Y169 HydrophobicContact CG-CE2 3.79Å; Y152-Y169 HydrophobicContact CD1-CD1 4.47Å; A165-Y169 PolarHBondContact O-N 3.26Å; A165-Y169 VanDerWaalsContact O-N 3.08Å; R166-Y169 WeakPolarHBondContact O-CB 3.39Å; R166-Y169 PolarHBondContact O-N 3.34Å; R166-Y169 VanDerWaalsContact O-N 3.07Å; Y169-K171 VanDerWaalsContact C-N 3.33Å; Y169-K171 PolarHBondContact O-N 3.26Å; Y169-A172 PolarHBondContact O-N 3.21Å; Y169-T173 WeakPolarHBondContact CE2-OG1 3.31Å; Y169-T173 VanDerWaalsContact O-CB 3.3Å; Y169-T173 WeakPolarHBondContact O-CB 3.35Å; Y169-T173 PolarHBondContact O-N 2.8Å; Y169-T173 PolarHBondContact O-OG1 3.29Å |
| 170 | D | 93.2 | Very high | 90.1 | Very high | 76 Ų | 76 | 91.8 Ų | 91.8 | 41% | 0.406 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.8 | -70.6 | -15.9 | 0 | 0 | 0 | 110.7 | R166 E167 T173 A174 | R166-D170 IonicContact NE-OD2 3.8Å; R166-D170 PolarHBondContact O-N 3.37Å; E167-D170 PolarHBondContact O-N 3.27Å; D170-T173 PolarHBondContact O-N 3.31Å; D170-A174 VanDerWaalsContact O-CB 3.3Å; D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.09Å |
| 171 | K | 94.1 | Very high | 91.2 | Very high | 143 Ų | 143 | 86.2 Ų | 86.2 | 62% | 0.622 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.7 | -41.2 | 175.9 | -170.9 | 174 | -174.9 | 172.6 | 0 | 113 | E167 Y169 K175 | E167-K171 VanDerWaalsContact O-CB 3.27Å; E167-K171 WeakPolarHBondContact O-CB 3.26Å; E167-K171 PolarHBondContact O-N 2.68Å; Y169-K171 VanDerWaalsContact C-N 3.33Å; Y169-K171 PolarHBondContact O-N 3.26Å; K171-K175 WeakPolarHBondContact O-CG 3.48Å; K171-K175 PolarHBondContact O-N 3.24Å |
| 172 | A | 93.3 | Very high | 92.1 | Very high | 20 Ų | 20 | 84.7 Ų | 84.7 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A145 A148 R168 Y169 K175 L176 | A145-A172 HydrophobicContact CB-CB 4.39Å; A148-A172 HydrophobicContact CB-CB 4.16Å; R168-A172 WeakPolarHBondContact O-CB 3.38Å; R168-A172 PolarHBondContact O-N 3.14Å; Y169-A172 PolarHBondContact O-N 3.21Å; A172-K175 PolarHBondContact O-N 3.16Å; A172-L176 PolarHBondContact O-N 3.17Å |
| 173 | T | 94.2 | Very high | 93 | Very high | 22 Ų | 22 | 85.9 Ų | 85.9 | 14% | 0.135 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 177.7 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | Y169 D170 K175 L176 H177 | Y169-T173 WeakPolarHBondContact CE2-OG1 3.31Å; Y169-T173 VanDerWaalsContact O-CB 3.3Å; Y169-T173 WeakPolarHBondContact O-CB 3.35Å; Y169-T173 PolarHBondContact O-N 2.8Å; Y169-T173 PolarHBondContact O-OG1 3.29Å; D170-T173 PolarHBondContact O-N 3.31Å; T173-K175 VanDerWaalsContact C-N 3.33Å; T173-K175 PolarHBondContact O-N 3.27Å; T173-L176 PolarHBondContact O-N 3.37Å; T173-L176 VanDerWaalsContact O-N 3.15Å; T173-H177 VanDerWaalsContact CG2-CE1 3.45Å; T173-H177 WeakPolarHBondContact CG2-CE1 3.28Å; T173-H177 WeakPolarHBondContact CG2-NE2 3.33Å; T173-H177 PolarHBondContact O-CD2 3.46Å; T173-H177 VanDerWaalsContact O-CG 3.32Å; T173-H177 PolarHBondContact O-N 3.3Å |
| 174 | A | 95.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 82.1 Ų | 82.1 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D170 H177 N178 | D170-A174 VanDerWaalsContact O-CB 3.3Å; D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.09Å; A174-H177 PolarHBondContact O-N 3.04Å; A174-N178 WeakPolarHBondContact O-CB 3.32Å; A174-N178 PolarHBondContact O-N 3.18Å; A174-N178 PolarHBondContact O-ND2 3.4Å |
| 175 | K | 96.1 | Very high | 94.3 | Very high | 119 Ų | 119 | 80.7 Ų | 80.7 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 173.7 | -74 | 179.2 | 177 | -171.6 | 0 | 112.2 | L141 K171 A172 T173 L179 | L141-K175 HydrophobicContact CD1-CB 4.23Å; K171-K175 WeakPolarHBondContact O-CG 3.48Å; K171-K175 PolarHBondContact O-N 3.24Å; A172-K175 PolarHBondContact O-N 3.16Å; T173-K175 VanDerWaalsContact C-N 3.33Å; T173-K175 PolarHBondContact O-N 3.27Å; K175-L179 WeakPolarHBondContact O-CB 3.33Å; K175-L179 PolarHBondContact O-N 2.75Å |
| 176 | L | 96.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 81.6 Ų | 81.6 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.5 | 177.5 | 61.5 | 0 | 0 | 0 | 111.7 | Y138 L141 A145 A172 T173 L179 H180 | Y138-L176 HydrophobicContact CD1-CD1 4.07Å; Y138-L176 HydrophobicContact CE1-CD1 3.84Å; L141-L176 HydrophobicContact CB-CB 4.39Å; L141-L176 HydrophobicContact CB-CD1 4.02Å; A145-L176 HydrophobicContact CB-CD2 3.91Å; A172-L176 PolarHBondContact O-N 3.17Å; T173-L176 PolarHBondContact O-N 3.37Å; T173-L176 VanDerWaalsContact O-N 3.15Å; L176-L179 PolarHBondContact O-N 3.02Å; L176-H180 WeakPolarHBondContact O-CB 3.41Å; L176-H180 PolarHBondContact O-N 3.02Å |
| 177 | H | 96.9 | Very high | 95.2 | Very high | 110 Ų | 110 | 76.9 Ų | 76.9 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 178.6 | -69.3 | -177.5 | 0 | 0 | 0 | 112.1 | T173 A174 L179 H180 N181 | T173-H177 VanDerWaalsContact CG2-CE1 3.45Å; T173-H177 WeakPolarHBondContact CG2-CE1 3.28Å; T173-H177 WeakPolarHBondContact CG2-NE2 3.33Å; T173-H177 PolarHBondContact O-CD2 3.46Å; T173-H177 VanDerWaalsContact O-CG 3.32Å; T173-H177 PolarHBondContact O-N 3.3Å; A174-H177 PolarHBondContact O-N 3.04Å; H177-L179 VanDerWaalsContact C-N 3.34Å; H177-L179 PolarHBondContact O-N 3.06Å; H177-H180 WeakPolarHBondContact O-CB 3.46Å; H177-H180 PolarHBondContact O-N 3.38Å; H177-N181 PolarHBondContact O-N 3.46Å |
| 178 | N | 96.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 74.4 Ų | 74.4 | 54% | 0.54 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.4 | -75.3 | -30.5 | 0 | 0 | 0 | 111.8 | A174 H180 N181 N182 | A174-N178 WeakPolarHBondContact O-CB 3.32Å; A174-N178 PolarHBondContact O-N 3.18Å; A174-N178 PolarHBondContact O-ND2 3.4Å; N178-H180 VanDerWaalsContact C-N 3.32Å; N178-H180 PolarHBondContact O-N 3.35Å; N178-N181 PolarHBondContact O-N 2.92Å; N178-N182 PolarHBondContact O-N 2.82Å; N178-N182 VanDerWaalsContact O-N 3.14Å |
| 179 | L | 96.9 | Very high | 95.8 | Very high | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 174.7 | -176.5 | 62.4 | 0 | 0 | 0 | 112 | L134 S137 L141 K175 L176 H177 N182 Y183 | L134-L179 HydrophobicContact CD2-CD1 3.72Å; S137-L179 VanDerWaalsContact C-CD2 3.47Å; L141-L179 HydrophobicContact CD1-CB 4.03Å; L141-L179 HydrophobicContact CD1-CD2 3.6Å; L141-L179 HydrophobicContact CD1-CG 4.45Å; L141-L179 HydrophobicContact CG-CD2 4.25Å; K175-L179 WeakPolarHBondContact O-CB 3.33Å; K175-L179 PolarHBondContact O-N 2.75Å; L176-L179 PolarHBondContact O-N 3.02Å; H177-L179 VanDerWaalsContact C-N 3.34Å; H177-L179 PolarHBondContact O-N 3.06Å; L179-N182 PolarHBondContact O-N 3.4Å; L179-Y183 WeakPolarHBondContact O-CB 3.41Å; L179-Y183 PolarHBondContact O-N 3.04Å |
| 180 | H | 97 | Very high | 96 | Very high | 74 Ų | 74 | 65.7 Ų | 65.7 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 175.1 | 175.6 | 90.3 | 0 | 0 | 0 | 111.7 | Y138 L176 H177 N178 N182 Y183 V184 | Y138-H180 HydrophobicContact CE2-CB 3.69Å; Y138-H180 AromaticContact CE2-ND1 3.55Å; Y138-H180 AromaticContact CZ-ND1 3.63Å; Y138-H180 PolarHBondContact OH-ND1 3.18Å; L176-H180 WeakPolarHBondContact O-CB 3.41Å; L176-H180 PolarHBondContact O-N 3.02Å; H177-H180 WeakPolarHBondContact O-CB 3.46Å; H177-H180 PolarHBondContact O-N 3.38Å; N178-H180 VanDerWaalsContact C-N 3.32Å; N178-H180 PolarHBondContact O-N 3.35Å; H180-N182 VanDerWaalsContact C-N 3.33Å; H180-N182 PolarHBondContact O-N 2.98Å; H180-Y183 PolarHBondContact O-N 3.3Å; H180-Y183 VanDerWaalsContact O-N 3.15Å; H180-V184 WeakPolarHBondContact O-CG2 3.42Å; H180-V184 PolarHBondContact O-N 2.88Å |
| 181 | N | 96.6 | Very high | 96.2 | Very high | 89 Ų | 89 | 70.3 Ų | 70.3 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 176.6 | -66.3 | -15.7 | 0 | 0 | 0 | 111.2 | H177 N178 Y183 V184 L185 | H177-N181 PolarHBondContact O-N 3.46Å; N178-N181 PolarHBondContact O-N 2.92Å; N181-Y183 VanDerWaalsContact C-N 3.33Å; N181-Y183 PolarHBondContact O-N 2.77Å; N181-V184 PolarHBondContact O-N 2.98Å; N181-L185 WeakPolarHBondContact O-CG 3.28Å; N181-L185 PolarHBondContact O-N 2.85Å |
| 182 | N | 95.9 | Very high | 96.2 | Very high | 92 Ų | 92 | 68 Ų | 68 | 49% | 0.492 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 176.9 | -71.5 | -18.6 | 0 | 0 | 0 | 112.6 | N178 L179 H180 A186 | N178-N182 PolarHBondContact O-N 2.82Å; N178-N182 VanDerWaalsContact O-N 3.14Å; L179-N182 PolarHBondContact O-N 3.4Å; H180-N182 VanDerWaalsContact C-N 3.33Å; H180-N182 PolarHBondContact O-N 2.98Å; N182-A186 VanDerWaalsContact O-CB 3.31Å; N182-A186 WeakPolarHBondContact O-CB 3.48Å; N182-A186 PolarHBondContact O-N 2.98Å |
| 183 | Y | 97.3 | Very high | 96.3 | Very high | 58 Ų | 58 | 68.8 Ų | 68.8 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 176.9 | 177.9 | -114.2 | 0 | 0 | 0 | 112 | L131 L134 K135 Y138 L179 H180 N181 L185 A186 V187 | L131-Y183 HydrophobicContact CD2-CE2 4.46Å; L134-Y183 HydrophobicContact CB-CD2 3.84Å; L134-Y183 HydrophobicContact CD1-CD2 4.45Å; K135-Y183 VanDerWaalsContact CE-OH 3.25Å; K135-Y183 WeakPolarHBondContact CE-OH 3.18Å; K135-Y183 HydrophobicContact CG-CE2 3.66Å; Y138-Y183 HydrophobicContact CD2-CD1 4.23Å; Y138-Y183 HydrophobicContact CD2-CG 4.32Å; Y138-Y183 HydrophobicContact CE2-CD1 4.32Å; L179-Y183 WeakPolarHBondContact O-CB 3.41Å; L179-Y183 PolarHBondContact O-N 3.04Å; H180-Y183 PolarHBondContact O-N 3.3Å; H180-Y183 VanDerWaalsContact O-N 3.15Å; N181-Y183 VanDerWaalsContact C-N 3.33Å; N181-Y183 PolarHBondContact O-N 2.77Å; Y183-L185 PolarHBondContact O-N 2.83Å; Y183-A186 PolarHBondContact O-N 3.25Å; Y183-V187 HydrophobicContact CD1-CG2 4.42Å; Y183-V187 HydrophobicContact CD2-CG2 4.11Å; Y183-V187 HydrophobicContact CE1-CG2 4Å; Y183-V187 HydrophobicContact CE2-CG2 3.66Å; Y183-V187 HydrophobicContact CG-CG2 4.48Å; Y183-V187 VanDerWaalsContact O-CG2 3.32Å; Y183-V187 WeakPolarHBondContact O-CG2 3.48Å; Y183-V187 PolarHBondContact O-N 2.89Å |
| 184 | V | 97.1 | Very high | 96.3 | Very high | 74 Ų | 74 | 73.1 Ų | 73.1 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61 | -45 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 111 | H180 N181 V187 C188 | H180-V184 WeakPolarHBondContact O-CG2 3.42Å; H180-V184 PolarHBondContact O-N 2.88Å; N181-V184 PolarHBondContact O-N 2.98Å; V184-V187 PolarHBondContact O-N 3.34Å; V184-C188 PolarHBondContact O-N 2.9Å |
| 185 | L | 96.5 | Very high | 96.3 | Very high | 120 Ų | 120 | 74.4 Ų | 74.4 | 63% | 0.628 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.2 | -44.6 | 175.3 | -69.4 | 173.6 | 0 | 0 | 0 | 111.7 | N181 Y183 V187 C188 G189 | N181-L185 WeakPolarHBondContact O-CG 3.28Å; N181-L185 PolarHBondContact O-N 2.85Å; Y183-L185 PolarHBondContact O-N 2.83Å; L185-V187 PolarHBondContact O-N 2.78Å; L185-C188 WeakPolarHBondContact O-CB 3.41Å; L185-C188 PolarHBondContact O-N 3.41Å; L185-G189 PolarHBondContact O-N 3.46Å |
| 186 | A | 96.7 | Very high | 96.2 | Very high | 32 Ų | 32 | 71.8 Ų | 71.8 | 26% | 0.264 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L131 L134 N182 Y183 G189 A190 | L131-A186 HydrophobicContact CD2-CB 3.84Å; L134-A186 HydrophobicContact CD1-CB 3.41Å; L134-A186 VanDerWaalsContact CD1-CB 3.41Å; N182-A186 VanDerWaalsContact O-CB 3.31Å; N182-A186 WeakPolarHBondContact O-CB 3.48Å; N182-A186 PolarHBondContact O-N 2.98Å; Y183-A186 PolarHBondContact O-N 3.25Å; A186-G189 PolarHBondContact O-N 2.97Å; A186-A190 VanDerWaalsContact O-CB 3.27Å; A186-A190 WeakPolarHBondContact O-CB 3.49Å; A186-A190 PolarHBondContact O-N 3.08Å |
| 187 | V | 97.1 | Very high | 96 | Very high | 40 Ų | 40 | 71.6 Ų | 71.6 | 24% | 0.242 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | L131 Y183 V184 L185 A190 R191 | L131-V187 HydrophobicContact CD1-CG2 4.43Å; L131-V187 HydrophobicContact CD2-CG2 4.04Å; Y183-V187 HydrophobicContact CD1-CG2 4.42Å; Y183-V187 HydrophobicContact CD2-CG2 4.11Å; Y183-V187 HydrophobicContact CE1-CG2 4Å; Y183-V187 HydrophobicContact CE2-CG2 3.66Å; Y183-V187 HydrophobicContact CG-CG2 4.48Å; Y183-V187 VanDerWaalsContact O-CG2 3.32Å; Y183-V187 WeakPolarHBondContact O-CG2 3.48Å; Y183-V187 PolarHBondContact O-N 2.89Å; V184-V187 PolarHBondContact O-N 3.34Å; L185-V187 PolarHBondContact O-N 2.78Å; V187-A190 PolarHBondContact O-N 2.79Å; V187-R191 WeakPolarHBondContact O-CB 3.15Å; V187-R191 PolarHBondContact O-N 3.21Å |
| 188 | C | 96.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 72.6 Ų | 72.6 | 51% | 0.507 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -49.9 | 174.5 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | V184 L185 A190 R191 T192 | V184-C188 PolarHBondContact O-N 2.9Å; L185-C188 WeakPolarHBondContact O-CB 3.41Å; L185-C188 PolarHBondContact O-N 3.41Å; C188-A190 PolarHBondContact O-N 3.46Å; C188-R191 PolarHBondContact O-N 3.23Å; C188-T192 PolarHBondContact O-N 2.97Å; C188-T192 VanDerWaalsContact O-N 3.1Å; C188-T192 PolarHBondContact O-OG1 3.49Å |
| 189 | G | 95.9 | Very high | 95.7 | Very high | 39 Ų | 39 | 72.9 Ų | 72.9 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L185 A186 R191 T192 Q193 | L185-G189 PolarHBondContact O-N 3.46Å; A186-G189 PolarHBondContact O-N 2.97Å; G189-R191 PolarHBondContact O-N 3.09Å; G189-T192 PolarHBondContact O-N 2.99Å; G189-Q193 WeakPolarHBondContact O-CB 3.48Å; G189-Q193 PolarHBondContact O-N 3.42Å |
| 190 | A | 96.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 80 Ų | 80 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | V126 T127 L131 A186 V187 C188 Q193 Q194 | V126-A190 HydrophobicContact CG1-CB 4.36Å; T127-A190 HydrophobicContact CG2-CB 4.45Å; L131-A190 HydrophobicContact CD1-CB 3.81Å; L131-A190 HydrophobicContact CD2-CB 4.34Å; L131-A190 HydrophobicContact CG-CB 4.25Å; A186-A190 VanDerWaalsContact O-CB 3.27Å; A186-A190 WeakPolarHBondContact O-CB 3.49Å; A186-A190 PolarHBondContact O-N 3.08Å; V187-A190 PolarHBondContact O-N 2.79Å; C188-A190 PolarHBondContact O-N 3.46Å; A190-Q193 PolarHBondContact O-N 3.04Å; A190-Q194 WeakPolarHBondContact O-CB 3.36Å; A190-Q194 PolarHBondContact O-N 3.01Å |
| 191 | R | 96.8 | Very high | 95.4 | Very high | 172 Ų | 172 | 78 Ų | 78 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63 | -46 | 175.5 | -174.3 | -176.2 | -62.6 | 163.3 | 1 | 111.4 | V187 C188 G189 Q193 Q194 E195 | V187-R191 WeakPolarHBondContact O-CB 3.15Å; V187-R191 PolarHBondContact O-N 3.21Å; C188-R191 PolarHBondContact O-N 3.23Å; G189-R191 PolarHBondContact O-N 3.09Å; R191-Q193 VanDerWaalsContact C-N 3.34Å; R191-Q194 PolarHBondContact O-N 3.38Å; R191-E195 PolarHBondContact O-N 3.42Å |
| 192 | T | 95.1 | Very high | 95.3 | Very high | 94 Ų | 94 | 74.2 Ų | 74.2 | 58% | 0.577 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 176.6 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | C188 G189 E195 N196 | C188-T192 PolarHBondContact O-N 2.97Å; C188-T192 VanDerWaalsContact O-N 3.1Å; C188-T192 PolarHBondContact O-OG1 3.49Å; G189-T192 PolarHBondContact O-N 2.99Å; T192-E195 PolarHBondContact O-N 3.45Å; T192-N196 VanDerWaalsContact O-CB 3.29Å; T192-N196 WeakPolarHBondContact O-CB 3.41Å; T192-N196 PolarHBondContact O-N 3.48Å |
| 193 | Q | 94.1 | Very high | 95.3 | Very high | 38 Ų | 38 | 70.7 Ų | 70.7 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 176.8 | 179 | 59.2 | 18.9 | 0 | 0 | 111.9 | H122 V126 G189 A190 R191 E195 N196 H197 | H122-Q193 PolarHBondContact CD2-NE2 3.04Å; V126-Q193 HydrophobicContact CB-CG 4.23Å; V126-Q193 HydrophobicContact CG1-CB 4.11Å; V126-Q193 HydrophobicContact CG1-CG 4.15Å; G189-Q193 WeakPolarHBondContact O-CB 3.48Å; G189-Q193 PolarHBondContact O-N 3.42Å; A190-Q193 PolarHBondContact O-N 3.04Å; R191-Q193 VanDerWaalsContact C-N 3.34Å; Q193-E195 VanDerWaalsContact C-N 3.32Å; Q193-E195 PolarHBondContact O-N 2.97Å; Q193-N196 PolarHBondContact O-N 3.4Å; Q193-H197 WeakPolarHBondContact O-CB 3.37Å; Q193-H197 PolarHBondContact O-N 3Å |
| 194 | Q | 94.3 | Very high | 95.2 | Very high | 113 Ų | 113 | 70.5 Ų | 70.5 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 178.5 | -174 | 176.8 | 21.7 | 0 | 0 | 111.4 | T127 A190 R191 R198 | T127-Q194 HydrophobicContact CG2-CB 4.02Å; A190-Q194 WeakPolarHBondContact O-CB 3.36Å; A190-Q194 PolarHBondContact O-N 3.01Å; R191-Q194 PolarHBondContact O-N 3.38Å; Q194-R198 WeakPolarHBondContact O-CB 3.38Å; Q194-R198 PolarHBondContact O-N 3.33Å; Q194-R198 VanDerWaalsContact O-N 3.1Å |
| 195 | E | 94.9 | Very high | 95.2 | Very high | 72 Ų | 72 | 68.5 Ų | 68.5 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.1 | -40.8 | 179.3 | -170.4 | 64.1 | 175.8 | 0 | 0 | 112.2 | R191 T192 Q193 H197 R198 Q199 | R191-E195 PolarHBondContact O-N 3.42Å; T192-E195 PolarHBondContact O-N 3.45Å; Q193-E195 VanDerWaalsContact C-N 3.32Å; Q193-E195 PolarHBondContact O-N 2.97Å; E195-H197 VanDerWaalsContact C-N 3.34Å; E195-H197 PolarHBondContact O-N 3.34Å; E195-R198 VanDerWaalsContact CD-NH2 3.34Å; E195-R198 PolarHBondContact O-N 3.48Å; E195-R198 IonicContact OE1-CZ 2.71Å; E195-R198 IonicContact OE1-NE 2.82Å; E195-R198 IonicContact OE1-NH2 3.34Å; E195-R198 PolarHBondContact OE1-NH2 2.87Å; E195-R198 IonicContact OE2-CZ 2.66Å; E195-R198 IonicContact OE2-NE 3.75Å; E195-R198 PolarHBondContact OE2-NE 2.89Å; E195-R198 IonicContact OE2-NH2 2.73Å; E195-R198 PolarHBondContact OE2-NH2 2.93Å; E195-R198 VanDerWaalsContact OE2-NH2 3.15Å; E195-Q199 HydrophobicContact CG-CG 4.13Å; E195-Q199 VanDerWaalsContact O-CB 3.32Å; E195-Q199 WeakPolarHBondContact O-CB 3.35Å; E195-Q199 WeakPolarHBondContact O-CG 3.5Å; E195-Q199 PolarHBondContact O-N 2.89Å; E195-Q199 WeakPolarHBondContact OE1-CG 3.21Å; E195-Q199 PolarHBondContact OE1-NE2 2.68Å |
| 196 | N | 93.9 | Very high | 95.3 | Very high | 64 Ų | 64 | 63.1 Ų | 63.1 | 34% | 0.342 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 175.1 | -174.3 | 48.4 | 0 | 0 | 0 | 112.1 | T192 Q193 R200 A201 | T192-N196 VanDerWaalsContact O-CB 3.29Å; T192-N196 WeakPolarHBondContact O-CB 3.41Å; T192-N196 PolarHBondContact O-N 3.48Å; Q193-N196 PolarHBondContact O-N 3.4Å; N196-R200 WeakPolarHBondContact O-CA 3.28Å; N196-R200 WeakPolarHBondContact O-CB 3.33Å; N196-R200 PolarHBondContact O-N 3.43Å; N196-R200 WeakPolarHBondContact OD1-CD 3.45Å; N196-A201 PolarHBondContact O-N 3.21Å |
| 197 | H | 93.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -58.8 | -51.1 | 173.9 | -178.4 | 77 | 0 | 0 | 0 | 111.1 | E120 Q193 E195 A201 A202 | E120-H197 IonicContact OE1-CE1 3.57Å; E120-H197 PolarHBondContact OE1-CE1 3.09Å; E120-H197 IonicContact OE1-NE2 3.31Å; E120-H197 PolarHBondContact OE1-NE2 2.86Å; Q193-H197 WeakPolarHBondContact O-CB 3.37Å; Q193-H197 PolarHBondContact O-N 3Å; E195-H197 VanDerWaalsContact C-N 3.34Å; E195-H197 PolarHBondContact O-N 3.34Å; H197-A201 PolarHBondContact O-N 2.78Å; H197-A202 WeakPolarHBondContact O-CB 3.44Å; H197-A202 PolarHBondContact O-N 3.46Å |
| 198 | R | 92.3 | Very high | 95.3 | Very high | 131 Ų | 131 | 64.7 Ų | 64.7 | 49% | 0.494 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -68.7 | -41.6 | -176 | -170 | -174.7 | 71.1 | 82.2 | -2.3 | 113.2 | Q194 E195 P203 | Q194-R198 WeakPolarHBondContact O-CB 3.38Å; Q194-R198 PolarHBondContact O-N 3.33Å; Q194-R198 VanDerWaalsContact O-N 3.1Å; E195-R198 VanDerWaalsContact CD-NH2 3.34Å; E195-R198 PolarHBondContact O-N 3.48Å; E195-R198 IonicContact OE1-CZ 2.71Å; E195-R198 IonicContact OE1-NE 2.82Å; E195-R198 IonicContact OE1-NH2 3.34Å; E195-R198 PolarHBondContact OE1-NH2 2.87Å; E195-R198 IonicContact OE2-CZ 2.66Å; E195-R198 IonicContact OE2-NE 3.75Å; E195-R198 PolarHBondContact OE2-NE 2.89Å; E195-R198 IonicContact OE2-NH2 2.73Å; E195-R198 PolarHBondContact OE2-NH2 2.93Å; E195-R198 VanDerWaalsContact OE2-NH2 3.15Å; R198-P203 WeakPolarHBondContact O-CD 3.31Å; R198-P203 WeakPolarHBondContact O-CG 3.35Å |
| 199 | Q | 93.4 | Very high | 95.4 | Very high | 108 Ų | 108 | 61.6 Ų | 61.6 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -90.4 | -24.8 | -173.5 | -68 | -162.9 | -15 | 0 | 0 | 114.1 | E195 | E195-Q199 HydrophobicContact CG-CG 4.13Å; E195-Q199 VanDerWaalsContact O-CB 3.32Å; E195-Q199 WeakPolarHBondContact O-CB 3.35Å; E195-Q199 WeakPolarHBondContact O-CG 3.5Å; E195-Q199 PolarHBondContact O-N 2.89Å; E195-Q199 WeakPolarHBondContact OE1-CG 3.21Å; E195-Q199 PolarHBondContact OE1-NE2 2.68Å |
| 200 | R | 93.9 | Very high | 95.4 | Very high | 173 Ų | 173 | 61.6 Ų | 61.6 | 65% | 0.653 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -128.8 | -61 | -170.4 | -60.2 | -173.6 | 178.4 | -177.4 | -2.4 | 112.8 | N196 A204 | N196-R200 WeakPolarHBondContact O-CA 3.28Å; N196-R200 WeakPolarHBondContact O-CB 3.33Å; N196-R200 PolarHBondContact O-N 3.43Å; N196-R200 WeakPolarHBondContact OD1-CD 3.45Å; R200-A204 WeakPolarHBondContact O-CB 3.37Å; R200-A204 PolarHBondContact O-N 3.42Å |
| 201 | A | 94.1 | Very high | 95.5 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 26% | 0.256 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -68.4 | -48.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L119 N196 H197 L205 | L119-A201 HydrophobicContact CD1-CB 3.75Å; L119-A201 HydrophobicContact CD2-CB 4.19Å; N196-A201 PolarHBondContact O-N 3.21Å; H197-A201 PolarHBondContact O-N 2.78Å; A201-L205 PolarHBondContact O-N 2.98Å |
| 202 | A | 94.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 64 Ų | 64 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.3 | -47.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I8 L119 H197 A204 L205 L206 | I8-A202 HydrophobicContact CG2-CB 4.41Å; L119-A202 HydrophobicContact CD2-CB 4.23Å; H197-A202 WeakPolarHBondContact O-CB 3.44Å; H197-A202 PolarHBondContact O-N 3.46Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A202-A204 PolarHBondContact O-N 3.21Å; A202-L205 PolarHBondContact O-N 3.48Å; A202-L206 WeakPolarHBondContact O-CG 3.03Å; A202-L206 PolarHBondContact O-N 3.47Å |
| 203 | P | 96.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.4 | -44.2 | 173.4 | -29.3 | 36.8 | 0 | 0 | 0 | 113.9 | G4 I8 R198 L205 L206 D207 | G4-P203 WeakPolarHBondContact CA-O 3.49Å; G4-P203 WeakPolarHBondContact O-CB 3.42Å; I8-P203 HydrophobicContact CD1-CG 4.02Å; I8-P203 HydrophobicContact CG1-CG 4.4Å; R198-P203 WeakPolarHBondContact O-CD 3.31Å; R198-P203 WeakPolarHBondContact O-CG 3.35Å; P203-L205 PolarHBondContact O-N 3.05Å; P203-L206 PolarHBondContact O-N 3.28Å; P203-L206 VanDerWaalsContact O-N 3.17Å; P203-D207 PolarHBondContact O-N 3.34Å |
| 204 | A | 96.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 45% | 0.446 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | R200 A202 L206 A208 | R200-A204 WeakPolarHBondContact O-CB 3.37Å; R200-A204 PolarHBondContact O-N 3.42Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A202-A204 PolarHBondContact O-N 3.21Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-A208 WeakPolarHBondContact O-CB 3.26Å; A204-A208 PolarHBondContact O-N 2.73Å |
| 205 | L | 97.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 62.5 Ų | 62.5 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 174.7 | 176.3 | 61.9 | 0 | 0 | 0 | 111.3 | Y112 L115 H116 A201 A202 P203 A208 L209 | Y112-L205 HydrophobicContact CD2-CD1 4.42Å; Y112-L205 HydrophobicContact CD2-CD2 4.38Å; Y112-L205 HydrophobicContact CD2-CG 4.27Å; Y112-L205 HydrophobicContact CE2-CD2 4.23Å; Y112-L205 HydrophobicContact CE2-CG 4.26Å; L115-L205 HydrophobicContact CB-CD1 4.01Å; L115-L205 HydrophobicContact CB-CD2 4.3Å; L115-L205 HydrophobicContact CD1-CD1 4.07Å; H116-L205 HydrophobicContact CB-CD2 4.15Å; A201-L205 PolarHBondContact O-N 2.98Å; A202-L205 PolarHBondContact O-N 3.48Å; P203-L205 PolarHBondContact O-N 3.05Å; L205-A208 PolarHBondContact O-N 3.25Å; L205-L209 PolarHBondContact O-N 3.14Å |
| 206 | L | 97.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.4 | -41 | -179.8 | -69.5 | -175.1 | 0 | 0 | 0 | 112.5 | F3 I8 L14 Y112 A202 P203 A204 A208 L209 Q210 | F3-L206 HydrophobicContact CB-CB 3.91Å; F3-L206 WeakPolarHBondContact O-CD1 3.42Å; I8-L206 HydrophobicContact CG1-CD1 4.45Å; L14-L206 HydrophobicContact CD1-CD2 3.36Å; Y112-L206 HydrophobicContact CE2-CD2 3.93Å; A202-L206 WeakPolarHBondContact O-CG 3.03Å; A202-L206 PolarHBondContact O-N 3.47Å; P203-L206 PolarHBondContact O-N 3.28Å; P203-L206 VanDerWaalsContact O-N 3.17Å; A204-L206 VanDerWaalsContact C-N 3.33Å; L206-A208 VanDerWaalsContact C-N 3.31Å; L206-A208 PolarHBondContact O-N 3Å; L206-L209 WeakPolarHBondContact O-CB 3.36Å; L206-L209 PolarHBondContact O-N 3.39Å; L206-Q210 PolarHBondContact O-N 2.84Å |
| 207 | D | 97.3 | Very high | 96.3 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 32% | 0.316 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.4 | -31.7 | 174.9 | -68 | -21.6 | 0 | 0 | 0 | 111.9 | G4 P203 R211 | G4-D207 WeakPolarHBondContact CA-OD1 3.42Å; G4-D207 PolarHBondContact N-OD1 2.96Å; P203-D207 PolarHBondContact O-N 3.34Å; D207-R211 WeakPolarHBondContact O-CG 3.47Å; D207-R211 PolarHBondContact O-N 3.24Å; D207-R211 VanDerWaalsContact O-N 3.1Å; D207-R211 PolarHBondContact O-NE 3.2Å |
| 208 | A | 96.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A204 L205 L206 M212 | A204-A208 WeakPolarHBondContact O-CB 3.26Å; A204-A208 PolarHBondContact O-N 2.73Å; L205-A208 PolarHBondContact O-N 3.25Å; L206-A208 VanDerWaalsContact C-N 3.31Å; L206-A208 PolarHBondContact O-N 3Å; A208-M212 PolarHBondContact O-N 3.23Å; A208-M212 VanDerWaalsContact O-N 3.12Å |
| 209 | L | 97.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 173.8 | 178.5 | 65.2 | 0 | 0 | 0 | 111.5 | F3 L14 V108 Y112 L205 L206 M212 Q213 | F3-L209 HydrophobicContact CD2-CD2 4.41Å; F3-L209 HydrophobicContact CD2-CG 4.46Å; F3-L209 HydrophobicContact CE2-CD2 4.49Å; F3-L209 HydrophobicContact CE2-CG 4.47Å; L14-L209 HydrophobicContact CD1-CD2 4.45Å; L14-L209 HydrophobicContact CD2-CD2 4.44Å; V108-L209 HydrophobicContact CG1-CD1 4.01Å; Y112-L209 HydrophobicContact CD1-CD2 4.21Å; Y112-L209 HydrophobicContact CD2-CB 4.44Å; Y112-L209 HydrophobicContact CD2-CD2 3.79Å; Y112-L209 HydrophobicContact CD2-CG 4.47Å; Y112-L209 HydrophobicContact CE1-CD2 4.2Å; Y112-L209 HydrophobicContact CE2-CD2 3.8Å; Y112-L209 HydrophobicContact CG-CD1 4.35Å; Y112-L209 HydrophobicContact CG-CD2 4Å; L205-L209 PolarHBondContact O-N 3.14Å; L206-L209 WeakPolarHBondContact O-CB 3.36Å; L206-L209 PolarHBondContact O-N 3.39Å; L209-M212 PolarHBondContact O-N 3.29Å; L209-Q213 HydrophobicContact CD1-CG 4.45Å; L209-Q213 WeakPolarHBondContact O-CG 3.46Å; L209-Q213 PolarHBondContact O-N 2.98Å |
| 210 | Q | 97.6 | Very high | 97 | Very high | 39 Ų | 39 | 57 Ų | 57 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.1 | -51.8 | 178.2 | -176.4 | 178.6 | -19.5 | 0 | 0 | 111.3 | F3 L206 M212 Q213 E214 | F3-Q210 HydrophobicContact CB-CB 4.16Å; F3-Q210 HydrophobicContact CD1-CB 4.4Å; F3-Q210 HydrophobicContact CD1-CG 4.34Å; F3-Q210 HydrophobicContact CD2-CB 3.69Å; F3-Q210 HydrophobicContact CD2-CG 4.36Å; F3-Q210 HydrophobicContact CE2-CB 4.16Å; F3-Q210 HydrophobicContact CG-CB 3.83Å; F3-Q210 HydrophobicContact CG-CG 4.26Å; L206-Q210 PolarHBondContact O-N 2.84Å; Q210-M212 VanDerWaalsContact C-N 3.29Å; Q210-M212 PolarHBondContact O-N 3.35Å; Q210-Q213 PolarHBondContact O-N 2.99Å; Q210-E214 HydrophobicContact CG-CG 4.44Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.1Å; Q210-E214 PolarHBondContact NE2-OE1 2.63Å; Q210-E214 WeakPolarHBondContact O-CG 3.38Å; Q210-E214 PolarHBondContact O-N 2.81Å |
| 211 | R | 97.6 | Very high | 97.2 | Very high | 146 Ų | 146 | 54.3 Ų | 54.3 | 55% | 0.551 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -56.4 | -43.5 | 178.1 | -77.2 | 178.4 | -74.3 | -145.1 | -1.5 | 112.3 | D207 Q213 E214 D215 | D207-R211 WeakPolarHBondContact O-CG 3.47Å; D207-R211 PolarHBondContact O-N 3.24Å; D207-R211 VanDerWaalsContact O-N 3.1Å; D207-R211 PolarHBondContact O-NE 3.2Å; R211-Q213 VanDerWaalsContact C-N 3.33Å; R211-Q213 PolarHBondContact O-N 3.45Å; R211-E214 PolarHBondContact O-N 3.29Å; R211-D215 PolarHBondContact O-N 2.97Å |
| 212 | M | 97.1 | Very high | 97.4 | Very high | 82 Ų | 82 | 55.8 Ų | 55.8 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 176.3 | -174 | 59.8 | 60.1 | 0 | 0 | 112.4 | V108 A208 L209 Q210 M216 | V108-M212 HydrophobicContact CG1-CG 3.9Å; V108-M212 HydrophobicContact CG2-CG 3.76Å; V108-M212 HydrophobicContact CG2-SD 4.21Å; A208-M212 PolarHBondContact O-N 3.23Å; A208-M212 VanDerWaalsContact O-N 3.12Å; L209-M212 PolarHBondContact O-N 3.29Å; Q210-M212 VanDerWaalsContact C-N 3.29Å; Q210-M212 PolarHBondContact O-N 3.35Å; M212-M216 WeakPolarHBondContact O-CB 3.42Å; M212-M216 VanDerWaalsContact O-CG 3.28Å; M212-M216 WeakPolarHBondContact O-CG 3.32Å; M212-M216 PolarHBondContact O-N 2.81Å; M212-M216 HydrophobicContact SD-CE 4.46Å |
| 213 | Q | 96.6 | Very high | 97.6 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 175.7 | -71.9 | -176.2 | 17.2 | 0 | 0 | 112.4 | L209 Q210 R211 M216 T217 | L209-Q213 HydrophobicContact CD1-CG 4.45Å; L209-Q213 WeakPolarHBondContact O-CG 3.46Å; L209-Q213 PolarHBondContact O-N 2.98Å; Q210-Q213 PolarHBondContact O-N 2.99Å; R211-Q213 VanDerWaalsContact C-N 3.33Å; R211-Q213 PolarHBondContact O-N 3.45Å; Q213-M216 PolarHBondContact O-N 2.75Å; Q213-T217 WeakPolarHBondContact O-CB 3.41Å; Q213-T217 PolarHBondContact O-N 3.42Å; Q213-T217 PolarHBondContact O-OG1 2.93Å |
| 214 | E | 97.8 | Very high | 97.7 | Very high | 102 Ų | 102 | 58.1 Ų | 58.1 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 174 | -70.5 | 168.6 | 175 | 0 | 0 | 111.2 | Q210 R211 M216 T217 L218 | Q210-E214 HydrophobicContact CG-CG 4.44Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.1Å; Q210-E214 PolarHBondContact NE2-OE1 2.63Å; Q210-E214 WeakPolarHBondContact O-CG 3.38Å; Q210-E214 PolarHBondContact O-N 2.81Å; R211-E214 PolarHBondContact O-N 3.29Å; E214-M216 PolarHBondContact O-N 3.29Å; E214-T217 WeakPolarHBondContact O-CB 3.33Å; E214-T217 PolarHBondContact O-N 3.12Å; E214-T217 VanDerWaalsContact O-N 3.11Å; E214-L218 PolarHBondContact O-N 3.04Å |
| 215 | D | 98.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 59.9 Ų | 59.9 | 54% | 0.535 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.2 | -70.3 | -23.1 | 0 | 0 | 0 | 111.8 | R211 T217 L218 A219 | R211-D215 PolarHBondContact O-N 2.97Å; D215-T217 VanDerWaalsContact C-N 3.29Å; D215-T217 PolarHBondContact O-N 3.37Å; D215-L218 PolarHBondContact O-N 3.13Å; D215-A219 PolarHBondContact O-N 3.07Å |
| 216 | M | 98.1 | Very high | 97.9 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -34.2 | 174.3 | -75.5 | -176.1 | 164.4 | 0 | 0 | 112.7 | L101 D104 K105 V108 M212 Q213 E214 A219 L220 | L101-M216 HydrophobicContact CD1-CB 4Å; L101-M216 HydrophobicContact CD1-CG 3.81Å; L101-M216 HydrophobicContact CD1-SD 4.48Å; D104-M216 HydrophobicContact CB-CE 3.98Å; K105-M216 HydrophobicContact CB-CE 4.06Å; K105-M216 HydrophobicContact CB-SD 3.87Å; K105-M216 HydrophobicContact CD-SD 4.46Å; K105-M216 HydrophobicContact CG-SD 3.91Å; V108-M216 HydrophobicContact CB-CE 4.28Å; V108-M216 HydrophobicContact CG2-CE 3.62Å; M212-M216 WeakPolarHBondContact O-CB 3.42Å; M212-M216 VanDerWaalsContact O-CG 3.28Å; M212-M216 WeakPolarHBondContact O-CG 3.32Å; M212-M216 PolarHBondContact O-N 2.81Å; M212-M216 HydrophobicContact SD-CE 4.46Å; Q213-M216 PolarHBondContact O-N 2.75Å; E214-M216 PolarHBondContact O-N 3.29Å; M216-A219 PolarHBondContact O-N 3.43Å; M216-L220 PolarHBondContact O-N 3.15Å |
| 217 | T | 97.9 | Very high | 97.9 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 175.8 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | Q213 E214 D215 L220 K221 | Q213-T217 WeakPolarHBondContact O-CB 3.41Å; Q213-T217 PolarHBondContact O-N 3.42Å; Q213-T217 PolarHBondContact O-OG1 2.93Å; E214-T217 WeakPolarHBondContact O-CB 3.33Å; E214-T217 PolarHBondContact O-N 3.12Å; E214-T217 VanDerWaalsContact O-N 3.11Å; D215-T217 VanDerWaalsContact C-N 3.29Å; D215-T217 PolarHBondContact O-N 3.37Å; T217-L220 PolarHBondContact O-N 3.18Å; T217-K221 PolarHBondContact O-N 3.02Å |
| 218 | L | 98.1 | Very high | 97.9 | Very high | 105 Ų | 105 | 62 Ų | 62 | 55% | 0.55 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 174 | -175.9 | 63.4 | 0 | 0 | 0 | 111.6 | E214 D215 L220 K221 S222 | E214-L218 PolarHBondContact O-N 3.04Å; D215-L218 PolarHBondContact O-N 3.13Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.12Å; L218-K221 WeakPolarHBondContact O-CB 3.43Å; L218-K221 PolarHBondContact O-N 2.87Å; L218-S222 PolarHBondContact O-N 3.27Å; L218-S222 VanDerWaalsContact O-N 3.09Å; L218-S222 PolarHBondContact O-OG 3.33Å |
| 219 | A | 98.1 | Very high | 97.9 | Very high | 41 Ų | 41 | 66.5 Ų | 66.5 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L101 D215 M216 K221 S222 I223 | L101-A219 HydrophobicContact CD1-CB 4.36Å; D215-A219 PolarHBondContact O-N 3.07Å; M216-A219 PolarHBondContact O-N 3.43Å; A219-K221 VanDerWaalsContact C-N 3.33Å; A219-K221 PolarHBondContact O-N 2.76Å; A219-S222 PolarHBondContact O-N 3.17Å; A219-I223 VanDerWaalsContact O-CG1 3.31Å; A219-I223 WeakPolarHBondContact O-CG1 3.44Å; A219-I223 PolarHBondContact O-N 3.47Å; A219-I223 VanDerWaalsContact O-N 3.07Å |
| 220 | L | 98.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 67.6 Ų | 67.6 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 174.7 | 178.8 | 62.5 | 0 | 0 | 0 | 111.7 | L25 L98 L101 M216 T217 L218 S222 I223 L224 | L25-L220 HydrophobicContact CD2-CD1 3.72Å; L25-L220 HydrophobicContact CD2-CD2 3.77Å; L25-L220 HydrophobicContact CD2-CG 4.26Å; L98-L220 HydrophobicContact CD1-CD1 3.99Å; L101-L220 HydrophobicContact CD2-CB 4.03Å; M216-L220 PolarHBondContact O-N 3.15Å; T217-L220 PolarHBondContact O-N 3.18Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.12Å; L220-S222 PolarHBondContact O-N 3.1Å; L220-I223 PolarHBondContact O-N 3.2Å; L220-L224 HydrophobicContact CD1-CD1 4.33Å; L220-L224 HydrophobicContact CD1-CG 4.29Å; L220-L224 HydrophobicContact CG-CD1 4.09Å; L220-L224 HydrophobicContact CG-CG 4.47Å; L220-L224 WeakPolarHBondContact O-CG 3.38Å; L220-L224 PolarHBondContact O-N 3.12Å |
| 221 | K | 98.5 | Very high | 97.8 | Very high | 116 Ų | 116 | 66.3 Ų | 66.3 | 50% | 0.504 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57 | -50.5 | 176.3 | 180 | -172.7 | 166.4 | -170.6 | 0 | 111 | T217 L218 A219 I223 L224 E225 | T217-K221 PolarHBondContact O-N 3.02Å; L218-K221 WeakPolarHBondContact O-CB 3.43Å; L218-K221 PolarHBondContact O-N 2.87Å; A219-K221 VanDerWaalsContact C-N 3.33Å; A219-K221 PolarHBondContact O-N 2.76Å; K221-I223 VanDerWaalsContact C-N 3.31Å; K221-I223 PolarHBondContact O-N 2.62Å; K221-L224 PolarHBondContact O-N 2.83Å; K221-L224 VanDerWaalsContact O-N 3.07Å; K221-E225 WeakPolarHBondContact CE-OE1 3.28Å; K221-E225 IonicContact NZ-OE1 3.31Å; K221-E225 WeakPolarHBondContact O-CG 3.44Å; K221-E225 PolarHBondContact O-N 2.81Å |
| 222 | S | 98.4 | Very high | 97.7 | Very high | 63 Ų | 63 | 61.2 Ų | 61.2 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 179.5 | -60.1 | 0 | 0 | 0 | 0 | 113 | L218 A219 L220 L224 E225 E226 | L218-S222 PolarHBondContact O-N 3.27Å; L218-S222 VanDerWaalsContact O-N 3.09Å; L218-S222 PolarHBondContact O-OG 3.33Å; A219-S222 PolarHBondContact O-N 3.17Å; L220-S222 PolarHBondContact O-N 3.1Å; S222-L224 VanDerWaalsContact C-N 3.32Å; S222-L224 PolarHBondContact O-N 2.99Å; S222-E225 PolarHBondContact O-N 3.24Å; S222-E226 PolarHBondContact O-N 3.35Å; S222-E226 VanDerWaalsContact O-N 3.08Å |
| 223 | I | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 173.5 | -70 | 165.3 | 0 | 0 | 0 | 111.3 | M32 P94 R97 L98 L101 A219 L220 K221 Y227 | M32-I223 HydrophobicContact CE-CG2 4.14Å; P94-I223 HydrophobicContact CB-CG2 3.87Å; R97-I223 HydrophobicContact CB-CD1 3.87Å; R97-I223 HydrophobicContact CB-CG1 3.95Å; L98-I223 HydrophobicContact CB-CD1 4.49Å; L98-I223 HydrophobicContact CB-CG2 4.3Å; L101-I223 HydrophobicContact CD2-CD1 4.18Å; A219-I223 VanDerWaalsContact O-CG1 3.31Å; A219-I223 WeakPolarHBondContact O-CG1 3.44Å; A219-I223 PolarHBondContact O-N 3.47Å; A219-I223 VanDerWaalsContact O-N 3.07Å; L220-I223 PolarHBondContact O-N 3.2Å; K221-I223 VanDerWaalsContact C-N 3.31Å; K221-I223 PolarHBondContact O-N 2.62Å; I223-Y227 WeakPolarHBondContact O-CB 3.29Å; I223-Y227 PolarHBondContact O-N 2.85Å |
| 224 | L | 98.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 68.3 Ų | 68.3 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -72.1 | -35.4 | 179 | -69.8 | 172.2 | 0 | 0 | 0 | 112.4 | V28 M32 L220 K221 S222 Y227 C228 | V28-L224 HydrophobicContact CG1-CD2 4.18Å; M32-L224 HydrophobicContact CE-CD2 3.68Å; L220-L224 HydrophobicContact CD1-CD1 4.33Å; L220-L224 HydrophobicContact CD1-CG 4.29Å; L220-L224 HydrophobicContact CG-CD1 4.09Å; L220-L224 HydrophobicContact CG-CG 4.47Å; L220-L224 WeakPolarHBondContact O-CG 3.38Å; L220-L224 PolarHBondContact O-N 3.12Å; K221-L224 PolarHBondContact O-N 2.83Å; K221-L224 VanDerWaalsContact O-N 3.07Å; S222-L224 VanDerWaalsContact C-N 3.32Å; S222-L224 PolarHBondContact O-N 2.99Å; L224-Y227 WeakPolarHBondContact O-CB 3.19Å; L224-Y227 PolarHBondContact O-N 3.14Å; L224-C228 PolarHBondContact O-N 2.6Å; L224-C228 PolarHBondContact O-SG 3.1Å |
| 225 | E | 98.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 64.9 Ų | 64.9 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.9 | -51.4 | 173.5 | -73 | 170.1 | 154.8 | 0 | 0 | 110.5 | K221 S222 Y227 C228 E229 | K221-E225 WeakPolarHBondContact CE-OE1 3.28Å; K221-E225 IonicContact NZ-OE1 3.31Å; K221-E225 WeakPolarHBondContact O-CG 3.44Å; K221-E225 PolarHBondContact O-N 2.81Å; S222-E225 PolarHBondContact O-N 3.24Å; E225-Y227 VanDerWaalsContact C-N 3.31Å; E225-Y227 PolarHBondContact O-N 3.41Å; E225-C228 WeakPolarHBondContact O-CB 3.39Å; E225-C228 PolarHBondContact O-N 3.29Å; E225-E229 WeakPolarHBondContact O-CG 3.39Å; E225-E229 PolarHBondContact O-N 3.34Å |
| 226 | E | 98.1 | Very high | 97.2 | Very high | 41 Ų | 41 | 68.8 Ų | 68.8 | 19% | 0.192 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 175.7 | -178.8 | -179.7 | -139.1 | 0 | 0 | 112.2 | P94 R97 S222 C228 E229 I230 | P94-E226 HydrophobicContact CB-CG 4.49Å; P94-E226 HydrophobicContact CG-CG 4.37Å; R97-E226 IonicContact CZ-OE1 2.69Å; R97-E226 IonicContact CZ-OE2 2.64Å; R97-E226 IonicContact NH1-OE1 3.55Å; R97-E226 PolarHBondContact NH1-OE1 3.33Å; R97-E226 IonicContact NH1-OE2 3.43Å; R97-E226 PolarHBondContact NH1-OE2 2.98Å; R97-E226 IonicContact NH2-OE1 3.15Å; S222-E226 PolarHBondContact O-N 3.35Å; S222-E226 VanDerWaalsContact O-N 3.08Å; E226-C228 VanDerWaalsContact C-N 3.32Å; E226-C228 PolarHBondContact O-N 2.84Å; E226-E229 PolarHBondContact O-N 3.19Å; E226-I230 HydrophobicContact CG-CD1 3.77Å; E226-I230 HydrophobicContact CG-CG1 4.47Å; E226-I230 WeakPolarHBondContact O-CG1 3.4Å; E226-I230 PolarHBondContact O-N 3.39Å |
| 227 | Y | 98.3 | Very high | 97.1 | Very high | 25 Ų | 25 | 73.7 Ų | 73.7 | 10% | 0.098 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58 | -43.3 | 172.6 | 166.7 | -91.9 | 0 | 0 | 0 | 112.2 | F31 M32 R35 L90 I223 L224 E225 S231 | F31-Y227 HydrophobicContact CE1-CE1 4.41Å; F31-Y227 AromaticContact CE1-CZ 3.92Å; F31-Y227 VanDerWaalsContact CE1-OH 3.3Å; F31-Y227 WeakPolarHBondContact CE1-OH 3.31Å; M32-Y227 HydrophobicContact CE-CD2 3.9Å; M32-Y227 HydrophobicContact CE-CG 3.78Å; M32-Y227 HydrophobicContact CG-CD2 3.92Å; M32-Y227 HydrophobicContact CG-CE2 4.08Å; M32-Y227 HydrophobicContact SD-CD2 4.3Å; R35-Y227 HydrophobicContact CB-CE2 4.3Å; R35-Y227 HydrophobicContact CG-CE2 4.02Å; R35-Y227 PolarHBondContact NH1-OH 3.23Å; L90-Y227 HydrophobicContact CD2-CD2 3.71Å; L90-Y227 HydrophobicContact CD2-CE2 4.31Å; L90-Y227 HydrophobicContact CD2-CG 4.47Å; I223-Y227 WeakPolarHBondContact O-CB 3.29Å; I223-Y227 PolarHBondContact O-N 2.85Å; L224-Y227 WeakPolarHBondContact O-CB 3.19Å; L224-Y227 PolarHBondContact O-N 3.14Å; E225-Y227 VanDerWaalsContact C-N 3.31Å; E225-Y227 PolarHBondContact O-N 3.41Å; Y227-S231 WeakPolarHBondContact O-CB 3.43Å; Y227-S231 PolarHBondContact O-N 2.98Å; Y227-S231 PolarHBondContact O-OG 3.49Å |
| 228 | C | 97.4 | Very high | 97 | Very high | 77 Ų | 77 | 70 Ų | 70 | 52% | 0.52 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | -179.6 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | L224 E225 E226 S232 | L224-C228 PolarHBondContact O-N 2.6Å; L224-C228 PolarHBondContact O-SG 3.1Å; E225-C228 WeakPolarHBondContact O-CB 3.39Å; E225-C228 PolarHBondContact O-N 3.29Å; E226-C228 VanDerWaalsContact C-N 3.32Å; E226-C228 PolarHBondContact O-N 2.84Å; C228-S232 PolarHBondContact O-N 3.25Å |
| 229 | E | 96.7 | Very high | 96.9 | Very high | 140 Ų | 140 | 67.7 Ų | 67.7 | 65% | 0.654 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.4 | -54.2 | 177.4 | -70.8 | 173.7 | -179.9 | 0 | 0 | 111.4 | E225 E226 S231 S232 | E225-E229 WeakPolarHBondContact O-CG 3.39Å; E225-E229 PolarHBondContact O-N 3.34Å; E226-E229 PolarHBondContact O-N 3.19Å; E229-S231 PolarHBondContact O-N 2.91Å; E229-S232 PolarHBondContact O-N 2.8Å |
| 230 | I | 97.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.7 | -39.7 | -177.5 | -58.9 | 167.4 | 0 | 0 | 0 | 111 | H86 D89 L90 P94 E226 S232 | H86-I230 HydrophobicContact CB-CG2 4.15Å; H86-I230 PolarHBondContact CE1-O 3.21Å; H86-I230 PolarHBondContact ND1-O 2.78Å; H86-I230 WeakPolarHBondContact O-CG2 3.38Å; D89-I230 HydrophobicContact CB-CD1 4.25Å; D89-I230 HydrophobicContact CB-CG2 3.93Å; L90-I230 HydrophobicContact CD2-CB 3.84Å; L90-I230 HydrophobicContact CD2-CD1 4.35Å; L90-I230 HydrophobicContact CD2-CG2 3.92Å; L90-I230 HydrophobicContact CG-CB 4.19Å; L90-I230 HydrophobicContact CG-CG2 3.68Å; P94-I230 HydrophobicContact CG-CD1 4.24Å; E226-I230 HydrophobicContact CG-CD1 3.77Å; E226-I230 HydrophobicContact CG-CG1 4.47Å; E226-I230 WeakPolarHBondContact O-CG1 3.4Å; E226-I230 PolarHBondContact O-N 3.39Å; I230-S232 VanDerWaalsContact C-N 3.27Å; I230-S232 PolarHBondContact O-N 3.33Å |
| 231 | S | 95.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3.6 | -173.6 | 81.3 | 0 | 0 | 0 | 0 | 114.1 | R35 Y227 E229 | R35-S231 PolarHBondContact NH1-OG 2.96Å; R35-S231 PolarHBondContact NH2-O 2.84Å; Y227-S231 WeakPolarHBondContact O-CB 3.43Å; Y227-S231 PolarHBondContact O-N 2.98Å; Y227-S231 PolarHBondContact O-OG 3.49Å; E229-S231 PolarHBondContact O-N 2.91Å |
| 232 | S | 96.2 | Very high | 96.8 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 28% | 0.28 | 35% | 0.347 | S | S | . | . | trans | -69.4 | 136.3 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | C228 E229 I230 L234 | C228-S232 PolarHBondContact O-N 3.25Å; E229-S232 PolarHBondContact O-N 2.8Å; I230-S232 VanDerWaalsContact C-N 3.27Å; I230-S232 PolarHBondContact O-N 3.33Å; S232-L234 VanDerWaalsContact C-N 3.27Å; S232-L234 PolarHBondContact OG-N 3.47Å; S232-L234 VanDerWaalsContact OG-N 3.09Å | ||
| 233 | L | 94.3 | Very high | 96.7 | Very high | 98 Ų | 98 | 70 Ų | 70 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -90.6 | 4.9 | 169.5 | -58.2 | -178.4 | 0 | 0 | 0 | 112.3 | M83 V238 | M83-L233 HydrophobicContact CE-CD2 4.21Å; M83-L233 HydrophobicContact SD-CD2 3.73Å; L233-V238 VanDerWaalsContact O-CG1 3.23Å; L233-V238 WeakPolarHBondContact O-CG1 3.44Å |
| 234 | L | 94.4 | Very high | 96.6 | Very high | 144 Ų | 144 | 73.6 Ų | 73.6 | 75% | 0.754 | 37% | 0.372 | S | S | * | . | trans | -111 | 21.6 | -179.5 | -57.2 | 177.8 | 0 | 0 | 0 | 111.4 | S232 | S232-L234 VanDerWaalsContact C-N 3.27Å; S232-L234 PolarHBondContact OG-N 3.47Å; S232-L234 VanDerWaalsContact OG-N 3.09Å | ||
| 235 | T | 94.4 | Very high | 96.5 | Very high | 30 Ų | 30 | 72 Ų | 72 | 18% | 0.184 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -65.4 | 153.4 | 172.1 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | E237 V238 V239 | T235-E237 PolarHBondContact O-N 2.79Å; T235-V238 PolarHBondContact O-N 3.34Å; T235-V238 WeakPolarHBondContact OG1-CG2 3.17Å; T235-V239 WeakPolarHBondContact O-CG2 3.45Å; T235-V239 PolarHBondContact O-N 2.9Å |
| 236 | E | 95 | Very high | 96.4 | Very high | 182 Ų | 182 | 70.3 Ų | 70.3 | 85% | 0.85 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.9 | -35 | 180 | -67.6 | -169.3 | 163.1 | 0 | 0 | 112.3 | G240 | E236-G240 PolarHBondContact O-N 3.23Å |
| 237 | E | 95.6 | Very high | 96.3 | Very high | 121 Ų | 121 | 70.9 Ų | 70.9 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65 | -48.4 | 177.7 | -60 | 178.7 | 125.7 | 0 | 0 | 112 | I82 T235 G240 V241 | I82-E237 HydrophobicContact CD1-CB 4.07Å; T235-E237 PolarHBondContact O-N 2.79Å; E237-G240 PolarHBondContact O-N 3.01Å; E237-V241 WeakPolarHBondContact O-CG2 3.24Å; E237-V241 PolarHBondContact O-N 2.83Å |
| 238 | V | 96.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 179 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | L79 I82 M83 L233 T235 G240 V241 H242 | L79-V238 HydrophobicContact CD1-CB 4.5Å; L79-V238 HydrophobicContact CD1-CG1 3.97Å; L79-V238 HydrophobicContact CD1-CG2 4.1Å; I82-V238 HydrophobicContact CG2-CG2 3.93Å; M83-V238 HydrophobicContact CE-CG2 3.7Å; L233-V238 VanDerWaalsContact O-CG1 3.23Å; L233-V238 WeakPolarHBondContact O-CG1 3.44Å; T235-V238 PolarHBondContact O-N 3.34Å; T235-V238 WeakPolarHBondContact OG1-CG2 3.17Å; V238-G240 VanDerWaalsContact C-N 3.3Å; V238-G240 PolarHBondContact O-N 3.39Å; V238-V241 PolarHBondContact O-N 2.89Å; V238-H242 PolarHBondContact O-CD2 2.87Å; V238-H242 PolarHBondContact O-N 2.97Å; V238-H242 VanDerWaalsContact O-N 3.16Å |
| 239 | V | 97.1 | Very high | 96 | Very high | 56 Ų | 56 | 70.1 Ų | 70.1 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | T235 H242 R243 | T235-V239 WeakPolarHBondContact O-CG2 3.45Å; T235-V239 PolarHBondContact O-N 2.9Å; V239-H242 PolarHBondContact O-N 2.73Å; V239-R243 WeakPolarHBondContact O-CB 3.41Å; V239-R243 PolarHBondContact O-N 3.2Å |
| 240 | G | 97.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 70.4 Ų | 70.4 | 26% | 0.258 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | E236 E237 V238 H242 R243 E244 | E236-G240 PolarHBondContact O-N 3.23Å; E237-G240 PolarHBondContact O-N 3.01Å; V238-G240 VanDerWaalsContact C-N 3.3Å; V238-G240 PolarHBondContact O-N 3.39Å; G240-H242 PolarHBondContact O-N 3.38Å; G240-R243 WeakPolarHBondContact O-CB 3.5Å; G240-R243 PolarHBondContact O-N 3.49Å; G240-E244 WeakPolarHBondContact O-CG 3.26Å; G240-E244 PolarHBondContact O-N 2.75Å |
| 241 | V | 97.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 75.2 Ų | 75.2 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.2 | -49.7 | 176.3 | 168.5 | 0 | 0 | 0 | 0 | 112 | Q75 A78 L79 I82 E237 V238 R243 E244 I245 | Q75-V241 HydrophobicContact CB-CG1 4.13Å; Q75-V241 WeakPolarHBondContact O-CG1 3.12Å; A78-V241 HydrophobicContact CB-CG2 4.41Å; L79-V241 HydrophobicContact CB-CG1 4.08Å; I82-V241 HydrophobicContact CD1-CG2 3.82Å; E237-V241 WeakPolarHBondContact O-CG2 3.24Å; E237-V241 PolarHBondContact O-N 2.83Å; V238-V241 PolarHBondContact O-N 2.89Å; V241-R243 VanDerWaalsContact C-N 3.29Å; V241-R243 PolarHBondContact O-N 3.12Å; V241-E244 PolarHBondContact O-N 2.92Å; V241-I245 HydrophobicContact CG1-CD1 4.07Å; V241-I245 WeakPolarHBondContact O-CG1 3.25Å; V241-I245 PolarHBondContact O-N 3.01Å |
| 242 | H | 96.8 | Very high | 95.4 | Very high | 106 Ų | 106 | 77.3 Ų | 77.3 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.4 | -32.4 | 179.4 | -80.3 | -72.3 | 0 | 0 | 0 | 113 | V238 V239 G240 S246 | V238-H242 PolarHBondContact O-CD2 2.87Å; V238-H242 PolarHBondContact O-N 2.97Å; V238-H242 VanDerWaalsContact O-N 3.16Å; V239-H242 PolarHBondContact O-N 2.73Å; G240-H242 PolarHBondContact O-N 3.38Å; H242-S246 PolarHBondContact O-N 3.43Å |
| 243 | R | 97.5 | Very high | 95.1 | Very high | 162 Ų | 162 | 78.9 Ų | 78.9 | 61% | 0.611 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65 | -47.2 | 174.3 | -172.6 | -176.8 | -63.8 | 159.6 | 2 | 111.1 | V239 G240 V241 I245 S246 V247 | V239-R243 WeakPolarHBondContact O-CB 3.41Å; V239-R243 PolarHBondContact O-N 3.2Å; G240-R243 WeakPolarHBondContact O-CB 3.5Å; G240-R243 PolarHBondContact O-N 3.49Å; V241-R243 VanDerWaalsContact C-N 3.29Å; V241-R243 PolarHBondContact O-N 3.12Å; R243-I245 PolarHBondContact O-N 3.49Å; R243-S246 WeakPolarHBondContact O-CB 3.31Å; R243-S246 PolarHBondContact O-N 2.99Å; R243-S246 VanDerWaalsContact O-N 3.17Å; R243-V247 WeakPolarHBondContact O-CG2 3.4Å; R243-V247 PolarHBondContact O-N 3.15Å |
| 244 | E | 97 | Very high | 94.9 | Very high | 85 Ų | 85 | 79 Ų | 79 | 40% | 0.397 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.5 | -72.2 | -60.2 | 135.3 | 0 | 0 | 112.3 | Q75 G240 V241 S246 V247 S248 | Q75-E244 HydrophobicContact CG-CB 3.93Å; G240-E244 WeakPolarHBondContact O-CG 3.26Å; G240-E244 PolarHBondContact O-N 2.75Å; V241-E244 PolarHBondContact O-N 2.92Å; E244-S246 VanDerWaalsContact C-N 3.35Å; E244-S246 PolarHBondContact O-N 3.24Å; E244-V247 PolarHBondContact O-N 3.31Å; E244-S248 WeakPolarHBondContact O-CB 3.42Å; E244-S248 PolarHBondContact O-N 3.04Å; E244-S248 PolarHBondContact O-OG 2.91Å |
| 245 | I | 96.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 79.8 Ų | 79.8 | 17% | 0.169 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 172.7 | -71.3 | 171.3 | 0 | 0 | 0 | 110.4 | V72 Q75 V241 R243 V247 S248 V249 | V72-I245 HydrophobicContact CG1-CG2 4.31Å; V72-I245 HydrophobicContact CG2-CG2 4.17Å; Q75-I245 HydrophobicContact CB-CD1 3.97Å; Q75-I245 HydrophobicContact CB-CG1 3.51Å; Q75-I245 HydrophobicContact CG-CG1 4.27Å; V241-I245 HydrophobicContact CG1-CD1 4.07Å; V241-I245 WeakPolarHBondContact O-CG1 3.25Å; V241-I245 PolarHBondContact O-N 3.01Å; R243-I245 PolarHBondContact O-N 3.49Å; I245-V247 PolarHBondContact O-N 3.2Å; I245-S248 PolarHBondContact O-N 2.84Å; I245-V249 WeakPolarHBondContact O-CG2 3.28Å; I245-V249 PolarHBondContact O-N 3.39Å; I245-V249 VanDerWaalsContact O-N 3.12Å |
| 246 | S | 96.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 80.2 Ų | 80.2 | 39% | 0.385 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | H242 R243 E244 S248 V249 Q250 | H242-S246 PolarHBondContact O-N 3.43Å; R243-S246 WeakPolarHBondContact O-CB 3.31Å; R243-S246 PolarHBondContact O-N 2.99Å; R243-S246 VanDerWaalsContact O-N 3.17Å; E244-S246 VanDerWaalsContact C-N 3.35Å; E244-S246 PolarHBondContact O-N 3.24Å; S246-S248 VanDerWaalsContact C-N 3.33Å; S246-V249 PolarHBondContact O-N 3.07Å; S246-Q250 VanDerWaalsContact O-CG 3.28Å; S246-Q250 WeakPolarHBondContact O-CG 3.36Å; S246-Q250 PolarHBondContact O-N 3.32Å; S246-Q250 VanDerWaalsContact O-N 3.08Å; S246-Q250 PolarHBondContact OG-NE2 3.11Å |
| 247 | V | 96.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 72.7 Ų | 72.7 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.8 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | R243 E244 I245 V249 Q250 Q251 | R243-V247 WeakPolarHBondContact O-CG2 3.4Å; R243-V247 PolarHBondContact O-N 3.15Å; E244-V247 PolarHBondContact O-N 3.31Å; I245-V247 PolarHBondContact O-N 3.2Å; V247-V249 PolarHBondContact O-N 3.45Å; V247-Q250 PolarHBondContact O-N 3.42Å; V247-Q251 WeakPolarHBondContact O-CG 3.4Å; V247-Q251 PolarHBondContact O-N 3.01Å; V247-Q251 VanDerWaalsContact O-N 3.15Å |
| 248 | S | 94.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 179.2 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | S68 Q71 E244 I245 S246 Q250 Q251 | S68-S248 WeakPolarHBondContact CB-O 3.44Å; S68-S248 PolarHBondContact OG-O 3.09Å; Q71-S248 WeakPolarHBondContact CG-OG 3.35Å; E244-S248 WeakPolarHBondContact O-CB 3.42Å; E244-S248 PolarHBondContact O-N 3.04Å; E244-S248 PolarHBondContact O-OG 2.91Å; I245-S248 PolarHBondContact O-N 2.84Å; S246-S248 VanDerWaalsContact C-N 3.33Å; S248-Q250 VanDerWaalsContact C-N 3.34Å; S248-Q250 PolarHBondContact O-N 3.4Å; S248-Q251 PolarHBondContact O-N 3.26Å |
| 249 | V | 93.8 | Very high | 93.3 | Very high | 79 Ų | 79 | 78.7 Ų | 78.7 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | V72 I245 S246 V247 Q251 I252 | V72-V249 HydrophobicContact CG2-CG2 4.01Å; I245-V249 WeakPolarHBondContact O-CG2 3.28Å; I245-V249 PolarHBondContact O-N 3.39Å; I245-V249 VanDerWaalsContact O-N 3.12Å; S246-V249 PolarHBondContact O-N 3.07Å; V247-V249 PolarHBondContact O-N 3.45Å; V249-Q251 VanDerWaalsContact C-N 3.27Å; V249-Q251 PolarHBondContact O-N 2.92Å; V249-I252 WeakPolarHBondContact O-CG1 3.49Å; V249-I252 PolarHBondContact O-N 3.41Å |
| 250 | Q | 93.8 | Very high | 92.8 | Very high | 147 Ų | 147 | 82 Ų | 82 | 69% | 0.687 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.7 | -21.2 | 178.5 | -73.2 | 172.9 | 10.2 | 0 | 0 | 113.6 | S246 V247 S248 I252 | S246-Q250 VanDerWaalsContact O-CG 3.28Å; S246-Q250 WeakPolarHBondContact O-CG 3.36Å; S246-Q250 PolarHBondContact O-N 3.32Å; S246-Q250 VanDerWaalsContact O-N 3.08Å; S246-Q250 PolarHBondContact OG-NE2 3.11Å; V247-Q250 PolarHBondContact O-N 3.42Å; S248-Q250 VanDerWaalsContact C-N 3.34Å; S248-Q250 PolarHBondContact O-N 3.4Å; Q250-I252 VanDerWaalsContact C-N 3.25Å; Q250-I252 PolarHBondContact O-N 3.3Å |
| 251 | Q | 90.4 | Very high | 92.3 | Very high | 133 Ų | 133 | 85 Ų | 85 | 62% | 0.621 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -8.5 | 176.8 | -72.8 | 174 | 1 | 0 | 0 | 113.7 | V247 S248 V249 D253 | V247-Q251 WeakPolarHBondContact O-CG 3.4Å; V247-Q251 PolarHBondContact O-N 3.01Å; V247-Q251 VanDerWaalsContact O-N 3.15Å; S248-Q251 PolarHBondContact O-N 3.26Å; V249-Q251 VanDerWaalsContact C-N 3.27Å; V249-Q251 PolarHBondContact O-N 2.92Å; Q251-D253 PolarHBondContact O-N 3.08Å; Q251-D253 VanDerWaalsContact O-N 3.15Å |
| 252 | I | 92.4 | Very high | 91.8 | Very high | 55 Ų | 55 | 88.8 Ų | 88.8 | 28% | 0.282 | 44% | 0.442 | S | S | . | . | trans | -67.9 | 112.6 | 176.7 | -61.9 | 172.6 | 0 | 0 | 0 | 109.1 | V65 S68 V249 Q250 P254 | V65-I252 HydrophobicContact CG2-CG2 3.71Å; S68-I252 WeakPolarHBondContact OG-CG1 3.45Å; V249-I252 WeakPolarHBondContact O-CG1 3.49Å; V249-I252 PolarHBondContact O-N 3.41Å; Q250-I252 VanDerWaalsContact C-N 3.25Å; Q250-I252 PolarHBondContact O-N 3.3Å; I252-P254 WeakPolarHBondContact O-CD 3.24Å | ||
| 253 | D | 89.6 | Confident | 91.3 | Very high | 74 Ų | 74 | 87.9 Ų | 87.9 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | trans | -104.6 | 107.3 | 171.8 | -179.9 | 6.9 | 0 | 0 | 0 | 110.2 | Q251 L255 A256 E257 | Q251-D253 PolarHBondContact O-N 3.08Å; Q251-D253 VanDerWaalsContact O-N 3.15Å; D253-L255 PolarHBondContact O-N 3.32Å; D253-L255 WeakPolarHBondContact OD1-CB 3.38Å; D253-L255 PolarHBondContact OD1-N 3.16Å; D253-A256 HydrophobicContact CB-CB 4.13Å; D253-A256 PolarHBondContact O-N 2.97Å; D253-E257 PolarHBondContact O-N 3.43Å | ||
| 254 | P | 90 | Very high | 90.8 | Very high | 101 Ų | 101 | 83.3 Ų | 83.3 | 66% | 0.656 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.9 | 178.7 | -23.6 | 34.4 | 0 | 0 | 0 | 114.4 | I252 | I252-P254 WeakPolarHBondContact O-CD 3.24Š|
| 255 | L | 89.9 | Confident | 90.3 | Very high | 159 Ų | 159 | 86 Ų | 86 | 83% | 0.832 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -30.6 | -178.5 | -62.5 | 178.5 | 0 | 0 | 0 | 112.1 | D253 | D253-L255 PolarHBondContact O-N 3.32Å; D253-L255 WeakPolarHBondContact OD1-CB 3.38Å; D253-L255 PolarHBondContact OD1-N 3.16Å |
| 256 | A | 87.6 | Confident | 90 | Very high | 39 Ų | 39 | 93.3 Ų | 93.3 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -11.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | D253 Y258 Q259 | D253-A256 HydrophobicContact CB-CB 4.13Å; D253-A256 PolarHBondContact O-N 2.97Å; A256-Y258 VanDerWaalsContact C-N 3.33Å; A256-Y258 PolarHBondContact O-N 2.84Å; A256-Q259 WeakPolarHBondContact O-CB 3.46Å; A256-Q259 PolarHBondContact O-N 3.39Å; A256-Q259 VanDerWaalsContact O-N 3.12Å |
| 257 | E | 89.8 | Confident | 89.6 | Confident | 25 Ų | 25 | 95.4 Ų | 95.4 | 12% | 0.117 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -50.2 | -172.2 | -179.1 | 68.6 | 168.1 | 0 | 0 | 112.2 | Y61 S63 T64 V65 D253 | Y61-E257 PolarHBondContact OH-O 3.39Å; S63-E257 VanDerWaalsContact CB-CD 3.48Å; S63-E257 WeakPolarHBondContact CB-OE1 3.47Å; S63-E257 PolarHBondContact OG-OE1 2.92Å; T64-E257 WeakPolarHBondContact CA-OE2 3.43Å; T64-E257 WeakPolarHBondContact CB-OE2 3.45Å; T64-E257 PolarHBondContact N-OE2 3.45Å; T64-E257 PolarHBondContact OG1-OE2 3.47Å; V65-E257 WeakPolarHBondContact CB-OE1 3.36Å; V65-E257 WeakPolarHBondContact CG2-OE1 3.34Å; V65-E257 PolarHBondContact N-OE2 2.88Å; V65-E257 VanDerWaalsContact N-OE2 3.14Å; D253-E257 PolarHBondContact O-N 3.43Å |
| 258 | Y | 89.4 | Confident | 89.1 | Confident | 153 Ų | 153 | 98.6 Ų | 98.6 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.2 | -175.3 | -56.2 | -71.6 | 0 | 0 | 0 | 114.9 | A256 H260 F261 I262 | A256-Y258 VanDerWaalsContact C-N 3.33Å; A256-Y258 PolarHBondContact O-N 2.84Å; Y258-H260 PolarHBondContact O-N 3.33Å; Y258-F261 WeakPolarHBondContact O-CB 3.43Å; Y258-F261 PolarHBondContact O-N 3.3Å; Y258-F261 VanDerWaalsContact O-N 3.09Å; Y258-I262 WeakPolarHBondContact O-CG1 3.43Å; Y258-I262 PolarHBondContact O-N 3.25Å |
| 259 | Q | 87.2 | Confident | 88.5 | Confident | 99 Ų | 99 | 105 Ų | 105 | 46% | 0.463 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.8 | -49.9 | -172.5 | -175.7 | 58.2 | 49.3 | 0 | 0 | 112 | A256 F261 I262 D263 | A256-Q259 WeakPolarHBondContact O-CB 3.46Å; A256-Q259 PolarHBondContact O-N 3.39Å; A256-Q259 VanDerWaalsContact O-N 3.12Å; Q259-F261 PolarHBondContact O-N 2.92Å; Q259-I262 PolarHBondContact O-N 3.48Å; Q259-D263 PolarHBondContact NE2-OD1 3.3Å; Q259-D263 VanDerWaalsContact NE2-OD1 3.16Å; Q259-D263 PolarHBondContact NE2-OD2 3.39Å; Q259-D263 PolarHBondContact O-N 2.92Å |
| 260 | H | 85.1 | Confident | 87.9 | Confident | 126 Ų | 126 | 105.5 Ų | 105.5 | 58% | 0.583 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.3 | -30.2 | 178 | -171.7 | -71.4 | 0 | 0 | 0 | 112.7 | Y61 Y258 A264 | Y61-H260 HydrophobicContact CE2-CB 4.27Å; Y258-H260 PolarHBondContact O-N 3.33Å; H260-A264 WeakPolarHBondContact O-CB 3.14Å; H260-A264 PolarHBondContact O-N 3.49Å |
| 261 | F | 86.6 | Confident | 87.1 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 39% | 0.386 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.7 | -47.4 | 174.8 | -176.6 | -90.8 | 0 | 0 | 0 | 110.6 | Y61 Y258 Q259 D263 A264 Y265 | Y61-F261 HydrophobicContact CD2-CB 4.08Å; Y61-F261 HydrophobicContact CD2-CD2 4.3Å; Y61-F261 HydrophobicContact CE2-CB 3.68Å; Y61-F261 HydrophobicContact CG-CD2 4.27Å; Y258-F261 WeakPolarHBondContact O-CB 3.43Å; Y258-F261 PolarHBondContact O-N 3.3Å; Y258-F261 VanDerWaalsContact O-N 3.09Å; Q259-F261 PolarHBondContact O-N 2.92Å; F261-D263 VanDerWaalsContact C-N 3.32Å; F261-D263 PolarHBondContact O-N 2.91Å; F261-A264 PolarHBondContact O-N 3.37Å; F261-Y265 HydrophobicContact CD1-CD2 4.22Å; F261-Y265 AromaticContact CD2-CD2 3.67Å; F261-Y265 HydrophobicContact CD2-CD2 3.67Å; F261-Y265 AromaticContact CD2-CE2 3.69Å; F261-Y265 HydrophobicContact CD2-CE2 3.69Å; F261-Y265 HydrophobicContact CE1-CD2 4.07Å; F261-Y265 AromaticContact CE2-CD2 3.5Å; F261-Y265 HydrophobicContact CE2-CD2 3.5Å; F261-Y265 VanDerWaalsContact CE2-CD2 3.5Å; F261-Y265 AromaticContact CE2-CE2 3.46Å; F261-Y265 HydrophobicContact CE2-CE2 3.46Å; F261-Y265 VanDerWaalsContact CE2-CE2 3.46Å; F261-Y265 HydrophobicContact CE2-CG 4.45Å; F261-Y265 HydrophobicContact CG-CD2 4.03Å; F261-Y265 HydrophobicContact CG-CE2 4.46Å; F261-Y265 AromaticContact CZ-CD2 3.71Å; F261-Y265 HydrophobicContact CZ-CD2 3.71Å; F261-Y265 HydrophobicContact CZ-CE2 4.07Å; F261-Y265 HydrophobicContact CZ-CG 4.27Å; F261-Y265 VanDerWaalsContact O-CD2 3.29Å; F261-Y265 WeakPolarHBondContact O-CD2 3.36Å; F261-Y265 PolarHBondContact O-N 3.28Å |
| 262 | I | 88.5 | Confident | 86.5 | Confident | 87 Ų | 87 | 106.8 Ų | 106.8 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.8 | -44.5 | 177.2 | -67.5 | 165.6 | 0 | 0 | 0 | 110.5 | Y258 Q259 A264 Y265 R266 | Y258-I262 WeakPolarHBondContact O-CG1 3.43Å; Y258-I262 PolarHBondContact O-N 3.25Å; Q259-I262 PolarHBondContact O-N 3.48Å; I262-A264 VanDerWaalsContact C-N 3.27Å; I262-A264 PolarHBondContact O-N 3.4Å; I262-Y265 PolarHBondContact O-N 2.94Å; I262-R266 VanDerWaalsContact O-CB 3.22Å; I262-R266 WeakPolarHBondContact O-CB 3.48Å; I262-R266 WeakPolarHBondContact O-CG 3.48Å; I262-R266 PolarHBondContact O-N 3.43Å |
| 263 | D | 86.6 | Confident | 85.9 | Confident | 86 Ų | 86 | 110 Ų | 110 | 46% | 0.46 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.7 | -33.7 | 179.3 | -69.1 | -32.7 | 0 | 0 | 0 | 112.5 | Q259 F261 | Q259-D263 PolarHBondContact NE2-OD1 3.3Å; Q259-D263 VanDerWaalsContact NE2-OD1 3.16Å; Q259-D263 PolarHBondContact NE2-OD2 3.39Å; Q259-D263 PolarHBondContact O-N 2.92Å; F261-D263 VanDerWaalsContact C-N 3.32Å; F261-D263 PolarHBondContact O-N 2.91Å |
| 264 | A | 86.6 | Confident | 85.3 | Confident | 66 Ų | 66 | 110.7 Ų | 110.7 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -75.6 | -33.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H260 F261 I262 | H260-A264 WeakPolarHBondContact O-CB 3.14Å; H260-A264 PolarHBondContact O-N 3.49Å; F261-A264 PolarHBondContact O-N 3.37Å; I262-A264 VanDerWaalsContact C-N 3.27Å; I262-A264 PolarHBondContact O-N 3.4Å |
| 265 | Y | 86.8 | Confident | 85.2 | Confident | 141 Ų | 141 | 113 Ų | 113 | 55% | 0.553 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -116.7 | 0.6 | -169.4 | -67.1 | -78.4 | 0 | 0 | 0 | 115.4 | F261 I262 S267 | F261-Y265 HydrophobicContact CD1-CD2 4.22Å; F261-Y265 AromaticContact CD2-CD2 3.67Å; F261-Y265 HydrophobicContact CD2-CD2 3.67Å; F261-Y265 AromaticContact CD2-CE2 3.69Å; F261-Y265 HydrophobicContact CD2-CE2 3.69Å; F261-Y265 HydrophobicContact CE1-CD2 4.07Å; F261-Y265 AromaticContact CE2-CD2 3.5Å; F261-Y265 HydrophobicContact CE2-CD2 3.5Å; F261-Y265 VanDerWaalsContact CE2-CD2 3.5Å; F261-Y265 AromaticContact CE2-CE2 3.46Å; F261-Y265 HydrophobicContact CE2-CE2 3.46Å; F261-Y265 VanDerWaalsContact CE2-CE2 3.46Å; F261-Y265 HydrophobicContact CE2-CG 4.45Å; F261-Y265 HydrophobicContact CG-CD2 4.03Å; F261-Y265 HydrophobicContact CG-CE2 4.46Å; F261-Y265 AromaticContact CZ-CD2 3.71Å; F261-Y265 HydrophobicContact CZ-CD2 3.71Å; F261-Y265 HydrophobicContact CZ-CE2 4.07Å; F261-Y265 HydrophobicContact CZ-CG 4.27Å; F261-Y265 VanDerWaalsContact O-CD2 3.29Å; F261-Y265 WeakPolarHBondContact O-CD2 3.36Å; F261-Y265 PolarHBondContact O-N 3.28Å; I262-Y265 PolarHBondContact O-N 2.94Å; Y265-S267 PolarHBondContact O-N 3.49Å |
| 266 | R | 90 | Very high | 85.1 | Confident | 187 Ų | 187 | 112.9 Ų | 112.9 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | trans | -59 | 132.9 | 177.3 | 62.4 | -173.4 | -62 | -179.7 | 1.8 | 111.5 | I262 | I262-R266 VanDerWaalsContact O-CB 3.22Å; I262-R266 WeakPolarHBondContact O-CB 3.48Å; I262-R266 WeakPolarHBondContact O-CG 3.48Å; I262-R266 PolarHBondContact O-N 3.43Å | ||
| 267 | S | 87.3 | Confident | 85 | Confident | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | trans | -118.3 | 148.6 | 174 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | Y265 | Y265-S267 PolarHBondContact O-N 3.49Š| ||
| 268 | P | 84.6 | Confident | 84.9 | Confident | 120 Ų | 120 | 118.6 Ų | 118.6 | 78% | 0.779 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 146.9 | 170.9 | 28.4 | -32.7 | 0 | 0 | 0 | 110.8 | ||
| 269 | V | 83 | Confident | 84.6 | Confident | 139 Ų | 139 | 113.9 Ų | 113.9 | 84% | 0.842 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 122.6 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | ||
| 270 | P | 79.9 | Confident | 84.5 | Confident | 91 Ų | 91 | 112.2 Ų | 112.2 | 59% | 0.591 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 147.6 | 176.2 | 28.1 | -32 | 0 | 0 | 0 | 111.1 | E272 | P270-E272 PolarHBondContact O-N 3.2Š|
| 271 | P | 78.1 | Confident | 84.3 | Confident | 130 Ų | 130 | 112.3 Ų | 112.3 | 84% | 0.844 | 63% | 0.628 | S | S | * | * | trans | -68.6 | 115 | 173 | 26.9 | -30.9 | 0 | 0 | 0 | 109.8 | ||||
| 272 | E | 78.1 | Confident | 84 | Confident | 176 Ų | 176 | 109.9 Ų | 109.9 | 82% | 0.822 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 132.8 | 172.4 | -70.9 | -170.5 | 168.5 | 0 | 0 | 110.3 | P270 | P270-E272 PolarHBondContact O-N 3.2Š|
| 273 | P | 78.5 | Confident | 83.5 | Confident | 123 Ų | 123 | 112.2 Ų | 112.2 | 80% | 0.799 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 141.6 | 177 | 27.1 | -32.3 | 0 | 0 | 0 | 111.4 | ||
| 274 | S | 78.9 | Confident | 82.8 | Confident | 89 Ų | 89 | 117.4 Ų | 117.4 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 140.3 | 173.5 | 40.7 | 0 | 0 | 0 | 0 | 111.2 | E276 | S274-E276 PolarHBondContact O-N 2.97Å; S274-E276 PolarHBondContact OG-OE1 3.37Å; S274-E276 VanDerWaalsContact OG-OE1 3.09Å |
| 275 | V | 86.3 | Confident | 81.9 | Confident | 150 Ų | 150 | 117.3 Ų | 117.3 | 91% | 0.909 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 118.4 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | ||
| 276 | E | 88.7 | Confident | 80.6 | Confident | 156 Ų | 156 | 118 Ų | 118 | 73% | 0.729 | 66% | 0.659 | S | S | * | * | trans | -123.7 | 158.4 | -180 | -66.7 | -180 | -168.1 | 0 | 0 | 110.8 | S274 D278 | S274-E276 PolarHBondContact O-N 2.97Å; S274-E276 PolarHBondContact OG-OE1 3.37Å; S274-E276 VanDerWaalsContact OG-OE1 3.09Å; E276-D278 PolarHBondContact O-N 3.49Å | ||
| 277 | F | 85.7 | Confident | 79.5 | Confident | 95 Ų | 95 | 116.8 Ų | 116.8 | 42% | 0.417 | 67% | 0.667 | S | S | . | * | trans | -67.5 | 123.3 | 175.1 | 179.8 | -86.6 | 0 | 0 | 0 | 109.7 | A279 L282 A290 N291 | F277-A279 PolarHBondContact O-N 2.83Å; F277-A279 VanDerWaalsContact O-N 3.08Å; F277-L282 HydrophobicContact CE1-CD1 3.79Å; F277-L282 HydrophobicContact CE1-CG 4.26Å; F277-L282 HydrophobicContact CZ-CD1 4.09Å; F277-L282 HydrophobicContact CZ-CG 4.39Å; F277-A290 HydrophobicContact CD1-CB 4.24Å; F277-A290 HydrophobicContact CE1-CB 4.01Å; F277-N291 HydrophobicContact CB-CB 3.82Å; F277-N291 HydrophobicContact CD1-CB 4.25Å; F277-N291 HydrophobicContact CD2-CB 4.32Å; F277-N291 HydrophobicContact CG-CB 3.87Å | ||
| 278 | D | 87.4 | Confident | 79.1 | Confident | 88 Ų | 88 | 115.3 Ų | 115.3 | 47% | 0.471 | 65% | 0.651 | S | S | . | * | trans | -76.6 | 97.3 | 179.7 | -172.6 | -4.1 | 0 | 0 | 0 | 110.9 | E276 S280 L281 | E276-D278 PolarHBondContact O-N 3.49Å; D278-S280 VanDerWaalsContact CG-OG 3.26Å; D278-S280 PolarHBondContact O-N 2.84Å; D278-S280 WeakPolarHBondContact OD1-CB 3.36Å; D278-S280 PolarHBondContact OD1-N 2.86Å; D278-S280 VanDerWaalsContact OD1-N 3.08Å; D278-S280 PolarHBondContact OD1-OG 3.06Å; D278-S280 PolarHBondContact OD2-OG 3.03Å; D278-L281 HydrophobicContact CB-CD1 4.06Å; D278-L281 HydrophobicContact CB-CG 4.16Å; D278-L281 WeakPolarHBondContact O-CB 3.41Å; D278-L281 WeakPolarHBondContact O-CG 3.49Å; D278-L281 PolarHBondContact O-N 3.23Å | ||
| 279 | A | 83.6 | Confident | 78.9 | Confident | 54 Ų | 54 | 111.9 Ų | 111.9 | 45% | 0.446 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -65.4 | -20.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F277 L281 L282 | F277-A279 PolarHBondContact O-N 2.83Å; F277-A279 VanDerWaalsContact O-N 3.08Å; A279-L281 PolarHBondContact O-N 3.22Å; A279-L281 VanDerWaalsContact O-N 3.17Å; A279-L282 PolarHBondContact O-N 3.44Å; A279-L282 VanDerWaalsContact O-N 3.12Å |
| 280 | S | 84.1 | Confident | 78.9 | Confident | 65 Ų | 65 | 107.8 Ų | 107.8 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -64.7 | -19.3 | 178.7 | 71.5 | 0 | 0 | 0 | 0 | 113 | D278 L282 D283 | D278-S280 VanDerWaalsContact CG-OG 3.26Å; D278-S280 PolarHBondContact O-N 2.84Å; D278-S280 WeakPolarHBondContact OD1-CB 3.36Å; D278-S280 PolarHBondContact OD1-N 2.86Å; D278-S280 VanDerWaalsContact OD1-N 3.08Å; D278-S280 PolarHBondContact OD1-OG 3.06Å; D278-S280 PolarHBondContact OD2-OG 3.03Å; S280-L282 PolarHBondContact O-N 3.41Å; S280-D283 PolarHBondContact O-N 3.09Å |
| 281 | L | 80.6 | Confident | 79.2 | Confident | 127 Ų | 127 | 109 Ų | 109 | 67% | 0.665 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -67.9 | -12.9 | 176.1 | -62.2 | 175.9 | 0 | 0 | 0 | 113.4 | D278 A279 | D278-L281 HydrophobicContact CB-CD1 4.06Å; D278-L281 HydrophobicContact CB-CG 4.16Å; D278-L281 WeakPolarHBondContact O-CB 3.41Å; D278-L281 WeakPolarHBondContact O-CG 3.49Å; D278-L281 PolarHBondContact O-N 3.23Å; A279-L281 PolarHBondContact O-N 3.22Å; A279-L281 VanDerWaalsContact O-N 3.17Å |
| 282 | L | 81.6 | Confident | 79.6 | Confident | 37 Ų | 37 | 108 Ų | 108 | 19% | 0.194 | 60% | 0.595 | C | S | . | * | G | 310 helix | trans | -102.7 | -2 | -176 | -58.9 | 179.4 | 0 | 0 | 0 | 113.8 | F277 A279 S280 E284 T285 I288 A290 | F277-L282 HydrophobicContact CE1-CD1 3.79Å; F277-L282 HydrophobicContact CE1-CG 4.26Å; F277-L282 HydrophobicContact CZ-CD1 4.09Å; F277-L282 HydrophobicContact CZ-CG 4.39Å; A279-L282 PolarHBondContact O-N 3.44Å; A279-L282 VanDerWaalsContact O-N 3.12Å; S280-L282 PolarHBondContact O-N 3.41Å; L282-E284 PolarHBondContact O-N 3.01Å; L282-E284 VanDerWaalsContact O-N 3.1Å; L282-T285 PolarHBondContact O-N 3.07Å; L282-T285 PolarHBondContact O-OG1 2.98Å; L282-I288 HydrophobicContact CD1-CG2 4.48Å; L282-I288 HydrophobicContact CD2-CB 4.23Å; L282-I288 HydrophobicContact CD2-CG2 3.81Å; L282-A290 HydrophobicContact CD1-CB 3.73Å |
| 283 | D | 78.1 | Confident | 80 | Confident | 136 Ų | 136 | 101.2 Ų | 101.2 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -23.2 | -171.7 | -72.4 | -13.8 | 0 | 0 | 0 | 114.1 | S280 | S280-D283 PolarHBondContact O-N 3.09Š|
| 284 | E | 70.4 | Confident | 80.3 | Confident | 196 Ų | 196 | 98.4 Ų | 98.4 | 92% | 0.916 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 3.6 | 179.7 | -62 | -173.3 | 171.3 | 0 | 0 | 114 | L282 | L282-E284 PolarHBondContact O-N 3.01Å; L282-E284 VanDerWaalsContact O-N 3.1Å |
| 285 | T | 67.2 | Low | 80.6 | Confident | 63 Ų | 63 | 95.9 Ų | 95.9 | 39% | 0.387 | 52% | 0.519 | S | S | . | . | trans | -120.4 | 115.7 | -174.7 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | L282 I288 | L282-T285 PolarHBondContact O-N 3.07Å; L282-T285 PolarHBondContact O-OG1 2.98Å; T285-I288 HydrophobicContact CG2-CD1 4.26Å | ||
| 286 | D | 60.7 | Low | 80.5 | Confident | 155 Ų | 155 | 90.1 Ų | 90.1 | 83% | 0.829 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 133.9 | 173 | -69.7 | -41 | 0 | 0 | 0 | 111.1 | ||
| 287 | N | 66.6 | Low | 80.1 | Confident | 162 Ų | 162 | 86.3 Ų | 86.3 | 87% | 0.866 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 25.8 | 172.1 | -56.7 | -41.3 | 0 | 0 | 0 | 118.7 | ||
| 288 | I | 79.2 | Confident | 79.9 | Confident | 70 Ų | 70 | 88.5 Ų | 88.5 | 36% | 0.359 | 49% | 0.485 | S | S | . | . | trans | -105.3 | 120.9 | 169.5 | -60.4 | 179.2 | 0 | 0 | 0 | 110.7 | L282 T285 L294 | L282-I288 HydrophobicContact CD1-CG2 4.48Å; L282-I288 HydrophobicContact CD2-CB 4.23Å; L282-I288 HydrophobicContact CD2-CG2 3.81Å; T285-I288 HydrophobicContact CG2-CD1 4.26Å; I288-L294 HydrophobicContact CD1-CD1 4.36Å; I288-L294 HydrophobicContact CG1-CD1 4.17Å; I288-L294 HydrophobicContact CG2-CD1 3.96Å; I288-L294 HydrophobicContact CG2-CG 4.45Å | ||
| 289 | P | 80.4 | Confident | 79.8 | Confident | 48 Ų | 48 | 86.1 Ų | 86.1 | 31% | 0.312 | 47% | 0.474 | S | S | . | . | trans | -72.2 | 134.2 | 175.7 | 28.5 | -30.7 | 0 | 0 | 0 | 111.7 | E292 L294 | P289-E292 HydrophobicContact CB-CB 4.02Å; P289-E292 HydrophobicContact CB-CG 4.31Å; P289-E292 HydrophobicContact CG-CB 3.87Å; P289-L294 HydrophobicContact CG-CD2 4.16Å | ||
| 290 | A | 82.9 | Confident | 79.8 | Confident | 53 Ų | 53 | 83.8 Ų | 83.8 | 44% | 0.438 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 139.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F277 L282 E292 | F277-A290 HydrophobicContact CD1-CB 4.24Å; F277-A290 HydrophobicContact CE1-CB 4.01Å; L282-A290 HydrophobicContact CD1-CB 3.73Å; A290-E292 PolarHBondContact O-N 3.39Å |
| 291 | N | 86.8 | Confident | 79.7 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 30.1 | 178.1 | -162.1 | 32.8 | 0 | 0 | 0 | 114.5 | F277 | F277-N291 HydrophobicContact CB-CB 3.82Å; F277-N291 HydrophobicContact CD1-CB 4.25Å; F277-N291 HydrophobicContact CD2-CB 4.32Å; F277-N291 HydrophobicContact CG-CB 3.87Å |
| 292 | E | 85.9 | Confident | 80 | Confident | 111 Ų | 111 | 83.9 Ų | 83.9 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | trans | -128.6 | 145.7 | 178.4 | -77.1 | -162.7 | -152.2 | 0 | 0 | 112.7 | P289 A290 K385 | P289-E292 HydrophobicContact CB-CB 4.02Å; P289-E292 HydrophobicContact CB-CG 4.31Å; P289-E292 HydrophobicContact CG-CB 3.87Å; A290-E292 PolarHBondContact O-N 3.39Å; E292-K385 IonicContact OE2-NZ 3.29Å; E292-K385 PolarHBondContact OE2-NZ 3.31Å | ||
| 293 | I | 86.3 | Confident | 80.2 | Confident | 32 Ų | 32 | 83.6 Ų | 83.6 | 16% | 0.164 | 46% | 0.455 | C | S | . | . | trans | -74.5 | 129.6 | 172.5 | -62.9 | 163.6 | 0 | 0 | 0 | 109.8 | L303 L381 L382 K385 | I293-L303 HydrophobicContact CG2-CD1 3.61Å; I293-L303 HydrophobicContact CG2-CD2 3.9Å; I293-L303 HydrophobicContact CG2-CG 4.43Å; I293-L381 HydrophobicContact CD1-CB 4.32Å; I293-L381 HydrophobicContact CD1-CD2 3.93Å; I293-L381 HydrophobicContact CD1-CG 3.65Å; I293-L381 HydrophobicContact CG1-CD2 4.24Å; I293-L381 HydrophobicContact CG1-CG 4.36Å; I293-L382 HydrophobicContact CD1-CD2 3.8Å; I293-L382 HydrophobicContact CD1-CG 4.24Å; I293-K385 HydrophobicContact CB-CB 4.37Å; I293-K385 HydrophobicContact CB-CD 4.32Å; I293-K385 HydrophobicContact CB-CG 4.01Å; I293-K385 HydrophobicContact CD1-CB 4.31Å; I293-K385 HydrophobicContact CG2-CG 4.2Å; I293-K385 WeakPolarHBondContact O-CE 3.48Å; I293-K385 PolarHBondContact O-NZ 2.98Å | ||
| 294 | L | 85.9 | Confident | 80.6 | Confident | 64 Ų | 64 | 81.5 Ų | 81.5 | 34% | 0.335 | 44% | 0.441 | S | S | . | . | trans | -85.6 | 111.8 | 174.1 | -75.2 | 173.6 | 0 | 0 | 0 | 111.6 | I288 P289 T299 L303 | I288-L294 HydrophobicContact CD1-CD1 4.36Å; I288-L294 HydrophobicContact CG1-CD1 4.17Å; I288-L294 HydrophobicContact CG2-CD1 3.96Å; I288-L294 HydrophobicContact CG2-CG 4.45Å; P289-L294 HydrophobicContact CG-CD2 4.16Å; L294-T299 WeakPolarHBondContact O-CB 3.15Å; L294-T299 PolarHBondContact O-OG1 3.25Å; L294-L303 VanDerWaalsContact O-CD1 3.29Å; L294-L303 WeakPolarHBondContact O-CD1 3.48Å | ||
| 295 | W | 83.4 | Confident | 81.4 | Confident | 37 Ų | 37 | 77.6 Ų | 77.6 | 14% | 0.14 | 43% | 0.427 | C | S | . | . | trans | -104.8 | 107.8 | 175.3 | 177.1 | -91 | 0 | 0 | 0 | 111 | A300 L303 Q304 K385 M386 A389 P393 P394 | W295-A300 HydrophobicContact CE3-CB 4.44Å; W295-A300 HydrophobicContact CH2-CB 3.78Å; W295-A300 HydrophobicContact CZ2-CB 3.86Å; W295-A300 HydrophobicContact CZ3-CB 4.09Å; W295-L303 HydrophobicContact CE3-CB 4.43Å; W295-L303 HydrophobicContact CE3-CD1 4.03Å; W295-L303 HydrophobicContact CZ3-CB 4.28Å; W295-Q304 HydrophobicContact CH2-CG 4.13Å; W295-Q304 HydrophobicContact CZ3-CG 4.38Å; W295-K385 HydrophobicContact CB-CG 4.47Å; W295-M386 HydrophobicContact CE3-CG 4.24Å; W295-M386 HydrophobicContact CH2-CE 3.87Å; W295-M386 HydrophobicContact CZ3-CE 3.92Å; W295-M386 HydrophobicContact CZ3-CG 3.89Å; W295-M386 HydrophobicContact CZ3-SD 4.19Å; W295-A389 HydrophobicContact CD2-CB 4.14Å; W295-A389 HydrophobicContact CG-CB 4.13Å; W295-A389 HydrophobicContact CZ2-CB 4.26Å; W295-A389 VanDerWaalsContact NE1-CB 3.33Å; W295-P393 HydrophobicContact CZ2-CB 4.39Å; W295-P394 WeakPolarHBondContact O-CG 3.22Å | ||
| 296 | N | 84.3 | Confident | 82.5 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 15% | 0.15 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -151.8 | 179.7 | 178 | 63.3 | 42.9 | 0 | 0 | 0 | 111.3 | L298 T299 A300 P394 A396 | N296-L298 PolarHBondContact O-N 3.35Å; N296-L298 VanDerWaalsContact O-N 3.08Å; N296-L298 WeakPolarHBondContact OD1-CA 3.39Å; N296-L298 WeakPolarHBondContact OD1-CB 3.39Å; N296-L298 PolarHBondContact OD1-N 2.93Å; N296-T299 PolarHBondContact N-OG1 2.91Å; N296-T299 VanDerWaalsContact N-OG1 3.11Å; N296-T299 PolarHBondContact O-N 2.95Å; N296-T299 VanDerWaalsContact O-N 3.13Å; N296-T299 PolarHBondContact OD1-N 2.85Å; N296-T299 VanDerWaalsContact OD1-N 3.16Å; N296-T299 PolarHBondContact OD1-OG1 3.44Å; N296-A300 WeakPolarHBondContact O-CB 3.48Å; N296-A300 PolarHBondContact O-N 2.94Å; N296-P394 CarbonylContact C-O 3.53Å; N296-P394 VanDerWaalsContact CA-O 3.25Å; N296-P394 WeakPolarHBondContact CA-O 3.14Å; N296-P394 VanDerWaalsContact CB-O 3.31Å; N296-P394 WeakPolarHBondContact CB-O 3.42Å; N296-A396 HydrophobicContact CB-CB 4.29Å |
| 297 | T | 80.4 | Confident | 83.9 | Confident | 76 Ų | 76 | 71 Ų | 71 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.1 | -178.3 | 51.7 | 0 | 0 | 0 | 0 | 115.1 | P393 P394 A396 | T297-P393 HydrophobicContact CG2-CB 4.44Å; T297-P393 HydrophobicContact CG2-CG 4.35Å; T297-P393 WeakPolarHBondContact CG2-O 3.36Å; T297-P394 PolarHBondContact N-O 3.34Å; T297-A396 PolarHBondContact OG1-N 3.37Å |
| 298 | L | 81.5 | Confident | 85 | Confident | 141 Ų | 141 | 66.2 Ų | 66.2 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -26.5 | 178.5 | -58.1 | 176.8 | 0 | 0 | 0 | 112.7 | N296 A396 | N296-L298 PolarHBondContact O-N 3.35Å; N296-L298 VanDerWaalsContact O-N 3.08Å; N296-L298 WeakPolarHBondContact OD1-CA 3.39Å; N296-L298 WeakPolarHBondContact OD1-CB 3.39Å; N296-L298 PolarHBondContact OD1-N 2.93Å; L298-A396 HydrophobicContact CB-CB 4.49Å; L298-A396 HydrophobicContact CD1-CB 3.43Å; L298-A396 VanDerWaalsContact CD1-CB 3.43Å; L298-A396 HydrophobicContact CG-CB 3.62Å |
| 299 | T | 85.3 | Confident | 85.6 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 23% | 0.233 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -18.5 | -173.1 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | L294 N296 D301 S302 L303 | L294-T299 WeakPolarHBondContact O-CB 3.15Å; L294-T299 PolarHBondContact O-OG1 3.25Å; N296-T299 PolarHBondContact N-OG1 2.91Å; N296-T299 VanDerWaalsContact N-OG1 3.11Å; N296-T299 PolarHBondContact O-N 2.95Å; N296-T299 VanDerWaalsContact O-N 3.13Å; N296-T299 PolarHBondContact OD1-N 2.85Å; N296-T299 VanDerWaalsContact OD1-N 3.16Å; N296-T299 PolarHBondContact OD1-OG1 3.44Å; T299-D301 PolarHBondContact O-N 3.37Å; T299-S302 PolarHBondContact O-N 3.34Å; T299-L303 WeakPolarHBondContact O-CB 3.48Å; T299-L303 WeakPolarHBondContact O-CG 3.47Å; T299-L303 PolarHBondContact O-N 2.61Å |
| 300 | A | 83.3 | Confident | 86.1 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55 | -51 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | W295 N296 S302 L303 Q304 P393 | W295-A300 HydrophobicContact CE3-CB 4.44Å; W295-A300 HydrophobicContact CH2-CB 3.78Å; W295-A300 HydrophobicContact CZ2-CB 3.86Å; W295-A300 HydrophobicContact CZ3-CB 4.09Å; N296-A300 WeakPolarHBondContact O-CB 3.48Å; N296-A300 PolarHBondContact O-N 2.94Å; A300-S302 PolarHBondContact O-N 3.37Å; A300-L303 PolarHBondContact O-N 3.08Å; A300-Q304 WeakPolarHBondContact O-CB 3.49Å; A300-Q304 WeakPolarHBondContact O-CG 3.4Å; A300-Q304 PolarHBondContact O-N 3.18Å; A300-P393 HydrophobicContact CB-CB 3.92Å; A300-P393 HydrophobicContact CB-CG 3.89Å |
| 301 | D | 83.1 | Confident | 86.5 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 64% | 0.642 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | -179.6 | -67.7 | -14.9 | 0 | 0 | 0 | 111.8 | T299 N305 | T299-D301 PolarHBondContact O-N 3.37Å; D301-N305 WeakPolarHBondContact O-CB 3.4Å; D301-N305 PolarHBondContact O-N 3.35Å; D301-N305 PolarHBondContact O-ND2 3.2Å; D301-N305 VanDerWaalsContact O-ND2 3.11Å |
| 302 | S | 85.9 | Confident | 86.7 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 178.3 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | T299 A300 N305 T306 | T299-S302 PolarHBondContact O-N 3.34Å; A300-S302 PolarHBondContact O-N 3.37Å; S302-N305 PolarHBondContact O-N 2.93Å; S302-T306 WeakPolarHBondContact O-CB 3.39Å; S302-T306 PolarHBondContact O-N 3.22Å; S302-T306 PolarHBondContact O-OG1 3Å |
| 303 | L | 87.7 | Confident | 87.1 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 177.1 | -71.3 | 171.3 | 0 | 0 | 0 | 112 | I293 L294 W295 T299 A300 T306 L307 L382 | I293-L303 HydrophobicContact CG2-CD1 3.61Å; I293-L303 HydrophobicContact CG2-CD2 3.9Å; I293-L303 HydrophobicContact CG2-CG 4.43Å; L294-L303 VanDerWaalsContact O-CD1 3.29Å; L294-L303 WeakPolarHBondContact O-CD1 3.48Å; W295-L303 HydrophobicContact CE3-CB 4.43Å; W295-L303 HydrophobicContact CE3-CD1 4.03Å; W295-L303 HydrophobicContact CZ3-CB 4.28Å; T299-L303 WeakPolarHBondContact O-CB 3.48Å; T299-L303 WeakPolarHBondContact O-CG 3.47Å; T299-L303 PolarHBondContact O-N 2.61Å; A300-L303 PolarHBondContact O-N 3.08Å; L303-T306 PolarHBondContact O-N 3.08Å; L303-L307 WeakPolarHBondContact O-CB 3.45Å; L303-L307 PolarHBondContact O-N 3.44Å; L303-L382 HydrophobicContact CD2-CD2 3.96Å |
| 304 | Q | 86 | Confident | 87.5 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 171.9 | -83.8 | 177.3 | 1 | 0 | 0 | 111.9 | W295 A300 T306 L307 S308 M386 | W295-Q304 HydrophobicContact CH2-CG 4.13Å; W295-Q304 HydrophobicContact CZ3-CG 4.38Å; A300-Q304 WeakPolarHBondContact O-CB 3.49Å; A300-Q304 WeakPolarHBondContact O-CG 3.4Å; A300-Q304 PolarHBondContact O-N 3.18Å; Q304-T306 VanDerWaalsContact C-N 3.33Å; Q304-T306 PolarHBondContact O-N 3.38Å; Q304-L307 PolarHBondContact O-N 3.08Å; Q304-S308 PolarHBondContact O-N 3.16Å; Q304-M386 HydrophobicContact CG-CE 3.37Å; Q304-M386 HydrophobicContact CG-SD 4.34Å |
| 305 | N | 87.3 | Confident | 87.8 | Confident | 115 Ų | 115 | 64.9 Ų | 64.9 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 175 | -72.7 | -29.4 | 0 | 0 | 0 | 111.8 | D301 S302 S308 W309 | D301-N305 WeakPolarHBondContact O-CB 3.4Å; D301-N305 PolarHBondContact O-N 3.35Å; D301-N305 PolarHBondContact O-ND2 3.2Å; D301-N305 VanDerWaalsContact O-ND2 3.11Å; S302-N305 PolarHBondContact O-N 2.93Å; N305-S308 PolarHBondContact O-N 3.48Å; N305-W309 WeakPolarHBondContact O-CB 3.44Å; N305-W309 PolarHBondContact O-N 3.15Å |
| 306 | T | 89.4 | Confident | 88.3 | Confident | 55 Ų | 55 | 68 Ų | 68 | 34% | 0.337 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.1 | -58 | 0 | 0 | 0 | 0 | 111.4 | S302 L303 Q304 W309 K310 L382 | S302-T306 WeakPolarHBondContact O-CB 3.39Å; S302-T306 PolarHBondContact O-N 3.22Å; S302-T306 PolarHBondContact O-OG1 3Å; L303-T306 PolarHBondContact O-N 3.08Å; Q304-T306 VanDerWaalsContact C-N 3.33Å; Q304-T306 PolarHBondContact O-N 3.38Å; T306-W309 PolarHBondContact O-N 3.31Å; T306-K310 HydrophobicContact CG2-CG 4.32Å; T306-K310 VanDerWaalsContact O-CB 3.29Å; T306-K310 WeakPolarHBondContact O-CB 3.05Å; T306-K310 VanDerWaalsContact O-CG 3.3Å; T306-K310 WeakPolarHBondContact O-CG 3.39Å; T306-K310 PolarHBondContact O-N 3.33Å; T306-L382 HydrophobicContact CG2-CD1 4.4Å |
| 307 | L | 90.1 | Very high | 88.7 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 175.8 | 177.3 | 62.5 | 0 | 0 | 0 | 111.8 | L303 Q304 K310 T311 K379 L382 D383 M386 | L303-L307 WeakPolarHBondContact O-CB 3.45Å; L303-L307 PolarHBondContact O-N 3.44Å; Q304-L307 PolarHBondContact O-N 3.08Å; L307-K310 PolarHBondContact O-N 3.43Å; L307-T311 VanDerWaalsContact O-CB 3.27Å; L307-T311 WeakPolarHBondContact O-CB 3.43Å; L307-T311 PolarHBondContact O-N 3.04Å; L307-T311 PolarHBondContact O-OG1 3.06Å; L307-K379 HydrophobicContact CD1-CG 3.93Å; L307-L382 HydrophobicContact CB-CD1 4.33Å; L307-L382 HydrophobicContact CD1-CB 3.91Å; L307-L382 HydrophobicContact CD1-CD1 4.21Å; L307-D383 WeakPolarHBondContact CD1-OD1 3.49Å; L307-D383 WeakPolarHBondContact CD2-OD1 3.37Å; L307-M386 HydrophobicContact CB-SD 4.29Å; L307-M386 HydrophobicContact CD2-CE 4.37Å; L307-M386 HydrophobicContact CD2-SD 3.33Å; L307-M386 WeakPolarHBondContact CD2-SD 3.42Å; L307-M386 HydrophobicContact CG-SD 4.43Å |
| 308 | S | 89.8 | Confident | 89.4 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -51.1 | 175.6 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | Q304 N305 K310 T311 E312 | Q304-S308 PolarHBondContact O-N 3.16Å; N305-S308 PolarHBondContact O-N 3.48Å; S308-K310 PolarHBondContact O-N 3.18Å; S308-T311 PolarHBondContact O-N 3.47Å; S308-E312 WeakPolarHBondContact O-CG 3.39Å; S308-E312 PolarHBondContact O-N 3.17Å |
| 309 | W | 91.8 | Very high | 90 | Very high | 132 Ų | 132 | 66.5 Ų | 66.5 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 178.5 | 175.5 | 75.2 | 0 | 0 | 0 | 112.6 | N305 T306 T311 E312 E313 | N305-W309 WeakPolarHBondContact O-CB 3.44Å; N305-W309 PolarHBondContact O-N 3.15Å; T306-W309 PolarHBondContact O-N 3.31Å; W309-T311 VanDerWaalsContact C-N 3.28Å; W309-T311 PolarHBondContact O-N 3.39Å; W309-E312 PolarHBondContact O-N 3.25Å; W309-E313 VanDerWaalsContact CH2-CD 3.49Å; W309-E313 WeakPolarHBondContact CH2-OE2 3.24Å; W309-E313 VanDerWaalsContact CZ2-CD 3.5Å; W309-E313 HydrophobicContact CZ2-CG 4.42Å; W309-E313 WeakPolarHBondContact CZ2-OE2 2.99Å; W309-E313 WeakPolarHBondContact CZ3-OE2 3.48Å; W309-E313 WeakPolarHBondContact O-CB 3.39Å; W309-E313 PolarHBondContact O-N 3.07Å |
| 310 | K | 90.9 | Very high | 90.4 | Very high | 30 Ų | 30 | 67.6 Ų | 67.6 | 13% | 0.13 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -34 | 176.5 | -77.5 | -65 | -177.4 | -159.7 | 0 | 112.9 | T306 L307 S308 E313 L314 L375 | T306-K310 HydrophobicContact CG2-CG 4.32Å; T306-K310 VanDerWaalsContact O-CB 3.29Å; T306-K310 WeakPolarHBondContact O-CB 3.05Å; T306-K310 VanDerWaalsContact O-CG 3.3Å; T306-K310 WeakPolarHBondContact O-CG 3.39Å; T306-K310 PolarHBondContact O-N 3.33Å; L307-K310 PolarHBondContact O-N 3.43Å; S308-K310 PolarHBondContact O-N 3.18Å; K310-E313 IonicContact NZ-OE2 3.95Å; K310-E313 PolarHBondContact NZ-OE2 3.28Å; K310-L314 VanDerWaalsContact O-CB 3.24Å; K310-L314 WeakPolarHBondContact O-CB 3.37Å; K310-L314 PolarHBondContact O-N 3.37Å; K310-L375 HydrophobicContact CD-CD2 3.57Å |
| 311 | T | 90.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 175.8 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | L307 S308 W309 A315 K379 | L307-T311 VanDerWaalsContact O-CB 3.27Å; L307-T311 WeakPolarHBondContact O-CB 3.43Å; L307-T311 PolarHBondContact O-N 3.04Å; L307-T311 PolarHBondContact O-OG1 3.06Å; S308-T311 PolarHBondContact O-N 3.47Å; W309-T311 VanDerWaalsContact C-N 3.28Å; W309-T311 PolarHBondContact O-N 3.39Å; T311-A315 WeakPolarHBondContact O-CB 3.36Å; T311-A315 PolarHBondContact O-N 3.25Å; T311-K379 WeakPolarHBondContact OG1-CE 3.16Å |
| 312 | E | 92.7 | Very high | 91.5 | Very high | 131 Ų | 131 | 68 Ų | 68 | 61% | 0.612 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 173.7 | -71.3 | 176 | -171.9 | 0 | 0 | 112 | S308 W309 A315 L316 | S308-E312 WeakPolarHBondContact O-CG 3.39Å; S308-E312 PolarHBondContact O-N 3.17Å; W309-E312 PolarHBondContact O-N 3.25Å; E312-A315 PolarHBondContact O-N 3.44Å; E312-L316 PolarHBondContact O-N 3.06Å |
| 313 | E | 93.4 | Very high | 91.9 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 29% | 0.29 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 177 | -172.5 | -179.9 | -149.6 | 0 | 0 | 111.8 | W309 K310 L316 T317 L375 | W309-E313 VanDerWaalsContact CH2-CD 3.49Å; W309-E313 WeakPolarHBondContact CH2-OE2 3.24Å; W309-E313 VanDerWaalsContact CZ2-CD 3.5Å; W309-E313 HydrophobicContact CZ2-CG 4.42Å; W309-E313 WeakPolarHBondContact CZ2-OE2 2.99Å; W309-E313 WeakPolarHBondContact CZ3-OE2 3.48Å; W309-E313 WeakPolarHBondContact O-CB 3.39Å; W309-E313 PolarHBondContact O-N 3.07Å; K310-E313 IonicContact NZ-OE2 3.95Å; K310-E313 PolarHBondContact NZ-OE2 3.28Å; E313-L316 PolarHBondContact O-N 2.94Å; E313-T317 WeakPolarHBondContact O-CB 3.46Å; E313-T317 PolarHBondContact O-N 2.86Å; E313-T317 PolarHBondContact O-OG1 2.98Å; E313-L375 HydrophobicContact CG-CD1 4.01Å; E313-L375 HydrophobicContact CG-CD2 4.36Å; E313-L375 VanDerWaalsContact OE2-CD2 3.26Å; E313-L375 WeakPolarHBondContact OE2-CD2 3.11Å |
| 314 | L | 93.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 174.9 | 176.1 | 63.8 | 0 | 0 | 0 | 111.3 | K310 L316 T317 Q318 E372 L375 L376 K379 | K310-L314 VanDerWaalsContact O-CB 3.24Å; K310-L314 WeakPolarHBondContact O-CB 3.37Å; K310-L314 PolarHBondContact O-N 3.37Å; L314-L316 VanDerWaalsContact C-N 3.31Å; L314-L316 PolarHBondContact O-N 3.5Å; L314-T317 PolarHBondContact O-N 2.99Å; L314-T317 VanDerWaalsContact O-N 3.17Å; L314-Q318 HydrophobicContact CD1-CG 4.09Å; L314-Q318 HydrophobicContact CG-CG 4.44Å; L314-Q318 WeakPolarHBondContact O-CB 3.29Å; L314-Q318 WeakPolarHBondContact O-CG 3.18Å; L314-Q318 PolarHBondContact O-N 2.82Å; L314-E372 HydrophobicContact CD1-CG 3.85Å; L314-L375 HydrophobicContact CB-CB 4.31Å; L314-L375 HydrophobicContact CB-CD1 4.47Å; L314-L375 HydrophobicContact CD1-CB 3.92Å; L314-L376 HydrophobicContact CD1-CD2 4.2Å; L314-L376 HydrophobicContact CD1-CG 3.95Å; L314-L376 HydrophobicContact CD2-CD2 3.69Å; L314-L376 HydrophobicContact CD2-CG 4.27Å; L314-K379 HydrophobicContact CD2-CD 3.83Å |
| 315 | A | 93 | Very high | 92.5 | Very high | 56 Ų | 56 | 69.2 Ų | 69.2 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | T311 E312 K319 | T311-A315 WeakPolarHBondContact O-CB 3.36Å; T311-A315 PolarHBondContact O-N 3.25Å; E312-A315 PolarHBondContact O-N 3.44Å; A315-K319 WeakPolarHBondContact O-CB 3.43Å; A315-K319 PolarHBondContact O-N 3.02Å; A315-K319 VanDerWaalsContact O-N 3.08Å |
| 316 | L | 93.7 | Very high | 92.9 | Very high | 101 Ų | 101 | 69 Ų | 69 | 53% | 0.529 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 174.5 | -177.7 | 62.8 | 0 | 0 | 0 | 111.9 | E312 E313 L314 K319 N320 | E312-L316 PolarHBondContact O-N 3.06Å; E313-L316 PolarHBondContact O-N 2.94Å; L314-L316 VanDerWaalsContact C-N 3.31Å; L314-L316 PolarHBondContact O-N 3.5Å; L316-K319 PolarHBondContact O-N 2.8Å; L316-N320 VanDerWaalsContact O-CG 3.31Å; L316-N320 PolarHBondContact O-N 2.78Å; L316-N320 PolarHBondContact O-ND2 2.98Å |
| 317 | T | 92.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 70.9 Ų | 70.9 | 10% | 0.104 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 178.3 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | E313 L314 K319 N320 L321 L368 E372 | E313-T317 WeakPolarHBondContact O-CB 3.46Å; E313-T317 PolarHBondContact O-N 2.86Å; E313-T317 PolarHBondContact O-OG1 2.98Å; L314-T317 PolarHBondContact O-N 2.99Å; L314-T317 VanDerWaalsContact O-N 3.17Å; T317-K319 PolarHBondContact O-N 2.87Å; T317-N320 PolarHBondContact O-N 3.43Å; T317-L321 WeakPolarHBondContact O-CB 3.38Å; T317-L321 PolarHBondContact O-N 3.4Å; T317-L368 HydrophobicContact CG2-CD2 4.12Å; T317-E372 HydrophobicContact CG2-CB 4.33Å |
| 318 | Q | 95.3 | Very high | 93.2 | Very high | 77 Ų | 77 | 70.1 Ų | 70.1 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177 | -74.4 | -178.4 | -37.7 | 0 | 0 | 112.3 | L314 L321 Q322 E372 | L314-Q318 HydrophobicContact CD1-CG 4.09Å; L314-Q318 HydrophobicContact CG-CG 4.44Å; L314-Q318 WeakPolarHBondContact O-CB 3.29Å; L314-Q318 WeakPolarHBondContact O-CG 3.18Å; L314-Q318 PolarHBondContact O-N 2.82Å; Q318-L321 PolarHBondContact O-N 2.98Å; Q318-Q322 PolarHBondContact O-N 3.25Å; Q318-E372 HydrophobicContact CG-CG 4.02Å; Q318-E372 VanDerWaalsContact CG-OE1 3.28Å; Q318-E372 WeakPolarHBondContact CG-OE1 3.04Å; Q318-E372 PolarHBondContact NE2-OE1 3.01Å |
| 319 | K | 94.8 | Very high | 93.4 | Very high | 121 Ų | 121 | 72 Ų | 72 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 174.6 | -176.9 | -178.2 | 173.3 | -175.4 | 0 | 111.6 | A315 L316 T317 L321 Q322 E323 | A315-K319 WeakPolarHBondContact O-CB 3.43Å; A315-K319 PolarHBondContact O-N 3.02Å; A315-K319 VanDerWaalsContact O-N 3.08Å; L316-K319 PolarHBondContact O-N 2.8Å; T317-K319 PolarHBondContact O-N 2.87Å; K319-L321 VanDerWaalsContact C-N 3.31Å; K319-L321 PolarHBondContact O-N 2.85Å; K319-Q322 PolarHBondContact O-N 2.88Å; K319-E323 WeakPolarHBondContact CE-OE1 3.34Å; K319-E323 WeakPolarHBondContact O-CG 3.46Å; K319-E323 PolarHBondContact O-N 3.46Å |
| 320 | N | 92.8 | Very high | 93.4 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 178.4 | -72.9 | -20.5 | 0 | 0 | 0 | 112 | L316 T317 K324 L368 | L316-N320 VanDerWaalsContact O-CG 3.31Å; L316-N320 PolarHBondContact O-N 2.78Å; L316-N320 PolarHBondContact O-ND2 2.98Å; T317-N320 PolarHBondContact O-N 3.43Å; N320-K324 WeakPolarHBondContact O-CB 3.3Å; N320-K324 WeakPolarHBondContact O-CG 3.47Å; N320-K324 PolarHBondContact O-N 3.1Å; N320-L368 HydrophobicContact CB-CD1 4.32Å |
| 321 | L | 94 | Very high | 93.4 | Very high | 10 Ų | 10 | 69.6 Ų | 69.6 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.9 | -52.5 | 175.9 | 175.4 | 61.7 | 0 | 0 | 0 | 110.7 | T317 Q318 K319 E323 K324 E325 V365 L368 R369 E372 | T317-L321 WeakPolarHBondContact O-CB 3.38Å; T317-L321 PolarHBondContact O-N 3.4Å; Q318-L321 PolarHBondContact O-N 2.98Å; K319-L321 VanDerWaalsContact C-N 3.31Å; K319-L321 PolarHBondContact O-N 2.85Å; L321-E323 VanDerWaalsContact C-N 3.34Å; L321-E323 PolarHBondContact O-N 2.91Å; L321-K324 PolarHBondContact O-N 3.3Å; L321-K324 VanDerWaalsContact O-N 3.15Å; L321-E325 HydrophobicContact CD1-CG 4.01Å; L321-E325 HydrophobicContact CG-CG 4.41Å; L321-E325 WeakPolarHBondContact O-CB 3.23Å; L321-E325 WeakPolarHBondContact O-CG 3.37Å; L321-E325 PolarHBondContact O-N 3.23Å; L321-V365 HydrophobicContact CD1-CB 4.42Å; L321-V365 HydrophobicContact CD1-CG1 3.82Å; L321-L368 HydrophobicContact CB-CB 4.28Å; L321-L368 HydrophobicContact CD1-CB 3.99Å; L321-R369 HydrophobicContact CD1-CG 3.66Å; L321-R369 HydrophobicContact CD2-CG 3.84Å; L321-R369 HydrophobicContact CG-CG 4.42Å; L321-E372 VanDerWaalsContact CD2-OE2 3.24Å; L321-E372 WeakPolarHBondContact CD2-OE2 3.27Å |
| 322 | Q | 94.9 | Very high | 93.5 | Very high | 124 Ų | 124 | 70 Ų | 70 | 58% | 0.579 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.8 | -42.7 | 179.9 | -169.6 | 178 | 12.6 | 0 | 0 | 112.2 | Q318 K319 K324 M326 | Q318-Q322 PolarHBondContact O-N 3.25Å; K319-Q322 PolarHBondContact O-N 2.88Å; Q322-K324 PolarHBondContact O-N 3.39Å; Q322-M326 WeakPolarHBondContact O-CG 3.32Å; Q322-M326 PolarHBondContact O-N 3.32Å; Q322-M326 VanDerWaalsContact O-N 3.11Å |
| 323 | E | 94.4 | Very high | 93.4 | Very high | 84 Ų | 84 | 65.9 Ų | 65.9 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.7 | -74.1 | 178.3 | -171.8 | 0 | 0 | 112.2 | K319 L321 L327 | K319-E323 WeakPolarHBondContact CE-OE1 3.34Å; K319-E323 WeakPolarHBondContact O-CG 3.46Å; K319-E323 PolarHBondContact O-N 3.46Å; L321-E323 VanDerWaalsContact C-N 3.34Å; L321-E323 PolarHBondContact O-N 2.91Å; E323-L327 VanDerWaalsContact O-CG 3.32Å; E323-L327 WeakPolarHBondContact O-CG 3.27Å; E323-L327 PolarHBondContact O-N 3.16Å |
| 324 | K | 92.1 | Very high | 93 | Very high | 86 Ų | 86 | 69.3 Ų | 69.3 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.3 | -35 | -178.6 | -67.1 | -73.7 | 178.4 | 179.1 | 0 | 112.7 | N320 L321 Q322 L327 A328 L361 V365 L368 | N320-K324 WeakPolarHBondContact O-CB 3.3Å; N320-K324 WeakPolarHBondContact O-CG 3.47Å; N320-K324 PolarHBondContact O-N 3.1Å; L321-K324 PolarHBondContact O-N 3.3Å; L321-K324 VanDerWaalsContact O-N 3.15Å; Q322-K324 PolarHBondContact O-N 3.39Å; K324-L327 PolarHBondContact O-N 2.67Å; K324-A328 PolarHBondContact O-N 2.94Å; K324-L361 HydrophobicContact CB-CD1 4.18Å; K324-L361 HydrophobicContact CD-CD1 3.52Å; K324-L361 HydrophobicContact CG-CD1 4.44Å; K324-V365 HydrophobicContact CB-CG2 3.77Å; K324-L368 HydrophobicContact CG-CD1 4.2Å |
| 325 | E | 95.2 | Very high | 92.7 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 173.4 | -75.2 | 178.3 | 155.7 | 0 | 0 | 111.2 | L321 L327 A328 D329 V365 R369 | L321-E325 HydrophobicContact CD1-CG 4.01Å; L321-E325 HydrophobicContact CG-CG 4.41Å; L321-E325 WeakPolarHBondContact O-CB 3.23Å; L321-E325 WeakPolarHBondContact O-CG 3.37Å; L321-E325 PolarHBondContact O-N 3.23Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 2.59Å; E325-A328 WeakPolarHBondContact O-CB 3.22Å; E325-A328 PolarHBondContact O-N 3.32Å; E325-D329 PolarHBondContact O-N 3.34Å; E325-V365 HydrophobicContact CG-CG1 3.67Å; E325-V365 HydrophobicContact CG-CG2 3.96Å; E325-R369 IonicContact OE1-CZ 3.94Å; E325-R369 IonicContact OE1-NE 3.93Å; E325-R369 PolarHBondContact OE1-NE 3.42Å; E325-R369 IonicContact OE1-NH2 2.64Å; E325-R369 PolarHBondContact OE1-NH2 3Å |
| 326 | M | 94.9 | Very high | 92.3 | Very high | 112 Ų | 112 | 72.2 Ų | 72.2 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.7 | -40.4 | 176.1 | -71.7 | -171.3 | -62.2 | 0 | 0 | 112.7 | Q322 A328 D329 D330 | Q322-M326 WeakPolarHBondContact O-CG 3.32Å; Q322-M326 PolarHBondContact O-N 3.32Å; Q322-M326 VanDerWaalsContact O-N 3.11Å; M326-A328 VanDerWaalsContact C-N 3.3Å; M326-A328 PolarHBondContact O-N 3.18Å; M326-D329 PolarHBondContact O-N 3.4Å; M326-D330 PolarHBondContact O-N 3.36Å |
| 327 | L | 93.1 | Very high | 91.7 | Very high | 94 Ų | 94 | 71.6 Ų | 71.6 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.6 | -34 | 176 | -72.7 | 170.9 | 0 | 0 | 0 | 112.2 | E323 K324 E325 L331 L361 | E323-L327 VanDerWaalsContact O-CG 3.32Å; E323-L327 WeakPolarHBondContact O-CG 3.27Å; E323-L327 PolarHBondContact O-N 3.16Å; K324-L327 PolarHBondContact O-N 2.67Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 2.59Å; L327-L331 VanDerWaalsContact O-CB 3.31Å; L327-L331 WeakPolarHBondContact O-CB 3.45Å; L327-L331 PolarHBondContact O-N 3.26Å; L327-L331 VanDerWaalsContact O-N 3.09Å; L327-L361 HydrophobicContact CB-CD2 3.77Å |
| 328 | A | 93.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 72 Ų | 72 | 5% | 0.05 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K324 E325 M326 L331 E332 L358 L361 | K324-A328 PolarHBondContact O-N 2.94Å; E325-A328 WeakPolarHBondContact O-CB 3.22Å; E325-A328 PolarHBondContact O-N 3.32Å; M326-A328 VanDerWaalsContact C-N 3.3Å; M326-A328 PolarHBondContact O-N 3.18Å; A328-L331 PolarHBondContact O-N 2.98Å; A328-E332 WeakPolarHBondContact O-CB 3.41Å; A328-E332 PolarHBondContact O-N 2.7Å; A328-L358 HydrophobicContact CB-CD1 4.13Å; A328-L358 VanDerWaalsContact O-CD1 3.32Å; A328-L358 WeakPolarHBondContact O-CD1 3.39Å; A328-L361 VanDerWaalsContact CA-CD2 3.5Å; A328-L361 HydrophobicContact CB-CD2 3.85Å; A328-L361 HydrophobicContact CB-CG 4.02Å; A328-L361 VanDerWaalsContact N-CD2 3.34Å |
| 329 | D | 93.3 | Very high | 89.1 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 178.3 | -67.3 | -16.5 | 0 | 0 | 0 | 111.8 | E325 M326 E332 A333 | E325-D329 PolarHBondContact O-N 3.34Å; M326-D329 PolarHBondContact O-N 3.4Å; D329-E332 PolarHBondContact O-N 3.5Å; D329-A333 WeakPolarHBondContact O-CB 3.49Å; D329-A333 PolarHBondContact O-N 2.91Å |
| 330 | D | 92.4 | Very high | 87.4 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 174.5 | 177.9 | 72.1 | 0 | 0 | 0 | 111.5 | M326 E332 A333 R334 | M326-D330 PolarHBondContact O-N 3.36Å; D330-E332 VanDerWaalsContact C-N 3.33Å; D330-E332 PolarHBondContact O-N 3.35Å; D330-A333 PolarHBondContact O-N 3.32Å; D330-R334 WeakPolarHBondContact O-CB 3.44Å; D330-R334 VanDerWaalsContact O-CG 3.25Å; D330-R334 WeakPolarHBondContact O-CG 3.33Å; D330-R334 PolarHBondContact O-N 2.9Å; D330-R334 VanDerWaalsContact OD2-CD 3.26Å; D330-R334 WeakPolarHBondContact OD2-CD 3.25Å; D330-R334 IonicContact OD2-NH1 2.89Å |
| 331 | L | 90.7 | Very high | 85.7 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.8 | -39.4 | -179.7 | -174.9 | 60.5 | 0 | 0 | 0 | 111.4 | L327 A328 R334 I335 Q354 L358 | L327-L331 VanDerWaalsContact O-CB 3.31Å; L327-L331 WeakPolarHBondContact O-CB 3.45Å; L327-L331 PolarHBondContact O-N 3.26Å; L327-L331 VanDerWaalsContact O-N 3.09Å; A328-L331 PolarHBondContact O-N 2.98Å; L331-R334 PolarHBondContact O-N 3.43Å; L331-I335 HydrophobicContact CG-CD1 4.14Å; L331-I335 WeakPolarHBondContact O-CD1 3.3Å; L331-I335 VanDerWaalsContact O-CG1 3.25Å; L331-I335 WeakPolarHBondContact O-CG1 3.5Å; L331-I335 PolarHBondContact O-N 3.3Å; L331-Q354 HydrophobicContact CD1-CB 4.49Å; L331-L358 HydrophobicContact CB-CD1 4.47Å; L331-L358 HydrophobicContact CD2-CB 3.96Å; L331-L358 HydrophobicContact CG-CB 4.4Å |
| 332 | E | 93.3 | Very high | 84 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 26% | 0.262 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 174.3 | 179.6 | 160.8 | -141.1 | 0 | 0 | 112.1 | A328 D329 D330 R334 I335 Q336 L358 R362 | A328-E332 WeakPolarHBondContact O-CB 3.41Å; A328-E332 PolarHBondContact O-N 2.7Å; D329-E332 PolarHBondContact O-N 3.5Å; D330-E332 VanDerWaalsContact C-N 3.33Å; D330-E332 PolarHBondContact O-N 3.35Å; E332-R334 VanDerWaalsContact C-N 3.3Å; E332-R334 PolarHBondContact O-N 3.3Å; E332-I335 PolarHBondContact O-N 2.93Å; E332-I335 VanDerWaalsContact O-N 3.16Å; E332-Q336 WeakPolarHBondContact O-CG 3.48Å; E332-Q336 PolarHBondContact O-N 3.11Å; E332-L358 HydrophobicContact CB-CD1 4.23Å; E332-L358 HydrophobicContact CB-CD2 3.97Å; E332-L358 HydrophobicContact CG-CD2 4.34Å; E332-R362 IonicContact OE1-CZ 2.73Å; E332-R362 IonicContact OE1-NH2 2.75Å; E332-R362 PolarHBondContact OE1-NH2 3.04Å; E332-R362 IonicContact OE2-CZ 3.55Å; E332-R362 IonicContact OE2-NH2 3.84Å; E332-R362 PolarHBondContact OE2-NH2 3.26Å |
| 333 | A | 90.4 | Very high | 82.4 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D329 D330 Q336 T337 | D329-A333 WeakPolarHBondContact O-CB 3.49Å; D329-A333 PolarHBondContact O-N 2.91Å; D330-A333 PolarHBondContact O-N 3.32Å; A333-Q336 PolarHBondContact O-N 2.97Å; A333-T337 WeakPolarHBondContact O-CB 3.32Å; A333-T337 VanDerWaalsContact O-CG2 3.32Å; A333-T337 WeakPolarHBondContact O-CG2 3.42Å; A333-T337 PolarHBondContact O-N 3.46Å; A333-T337 PolarHBondContact O-OG1 2.9Å |
| 334 | R | 85.5 | Confident | 81.3 | Confident | 133 Ų | 133 | 83.4 Ų | 83.4 | 50% | 0.502 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 174.8 | -73.5 | 173 | 61 | -168.5 | -3.7 | 112.7 | D330 L331 E332 T337 G338 | D330-R334 WeakPolarHBondContact O-CB 3.44Å; D330-R334 VanDerWaalsContact O-CG 3.25Å; D330-R334 WeakPolarHBondContact O-CG 3.33Å; D330-R334 PolarHBondContact O-N 2.9Å; D330-R334 VanDerWaalsContact OD2-CD 3.26Å; D330-R334 WeakPolarHBondContact OD2-CD 3.25Å; D330-R334 IonicContact OD2-NH1 2.89Å; L331-R334 PolarHBondContact O-N 3.43Å; E332-R334 VanDerWaalsContact C-N 3.3Å; E332-R334 PolarHBondContact O-N 3.3Å; R334-T337 WeakPolarHBondContact CA-OG1 3.32Å; R334-T337 PolarHBondContact O-OG1 2.66Å; R334-T337 VanDerWaalsContact O-OG1 3.09Å; R334-G338 PolarHBondContact O-N 2.71Å |
| 335 | I | 86.3 | Confident | 80.5 | Confident | 10 Ų | 10 | 89.3 Ų | 89.3 | 5% | 0.051 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 175.2 | -69.8 | 163.6 | 0 | 0 | 0 | 110.4 | L331 E332 G338 Q339 Q354 K355 L358 | L331-I335 HydrophobicContact CG-CD1 4.14Å; L331-I335 WeakPolarHBondContact O-CD1 3.3Å; L331-I335 VanDerWaalsContact O-CG1 3.25Å; L331-I335 WeakPolarHBondContact O-CG1 3.5Å; L331-I335 PolarHBondContact O-N 3.3Å; E332-I335 PolarHBondContact O-N 2.93Å; E332-I335 VanDerWaalsContact O-N 3.16Å; I335-G338 PolarHBondContact O-N 3.3Å; I335-Q339 PolarHBondContact O-N 2.72Å; I335-Q339 VanDerWaalsContact O-N 3.11Å; I335-Q354 HydrophobicContact CD1-CB 3.9Å; I335-Q354 HydrophobicContact CG1-CB 3.85Å; I335-K355 HydrophobicContact CD1-CG 4.27Å; I335-K355 HydrophobicContact CG2-CG 4.29Å; I335-L358 HydrophobicContact CD1-CB 4.19Å; I335-L358 HydrophobicContact CD1-CD2 4.03Å |
| 336 | Q | 84.6 | Confident | 79.5 | Confident | 113 Ų | 113 | 90.5 Ų | 90.5 | 53% | 0.528 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 179 | -71.6 | 178.7 | 9.6 | 0 | 0 | 112.4 | E332 A333 G338 P340 | E332-Q336 WeakPolarHBondContact O-CG 3.48Å; E332-Q336 PolarHBondContact O-N 3.11Å; A333-Q336 PolarHBondContact O-N 2.97Å; Q336-G338 VanDerWaalsContact C-N 3.34Å; Q336-P340 WeakPolarHBondContact O-CD 3.37Å |
| 337 | T | 80.7 | Confident | 78.7 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 54% | 0.54 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.1 | -25.9 | 175.2 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | A333 R334 N341 | A333-T337 WeakPolarHBondContact O-CB 3.32Å; A333-T337 VanDerWaalsContact O-CG2 3.32Å; A333-T337 WeakPolarHBondContact O-CG2 3.42Å; A333-T337 PolarHBondContact O-N 3.46Å; A333-T337 PolarHBondContact O-OG1 2.9Å; R334-T337 WeakPolarHBondContact CA-OG1 3.32Å; R334-T337 PolarHBondContact O-OG1 2.66Å; R334-T337 VanDerWaalsContact O-OG1 3.09Å; T337-N341 PolarHBondContact O-ND2 3.25Å |
| 338 | G | 67.3 | Low | 77.9 | Confident | 25 Ų | 25 | 86.6 Ų | 86.6 | 26% | 0.258 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -74.3 | -31 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R334 I335 Q336 N341 | R334-G338 PolarHBondContact O-N 2.71Å; I335-G338 PolarHBondContact O-N 3.3Å; Q336-G338 VanDerWaalsContact C-N 3.34Å; G338-N341 PolarHBondContact O-N 3.45Å |
| 339 | Q | 66.9 | Low | 77.3 | Confident | 103 Ų | 103 | 90.8 Ų | 90.8 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -59.3 | -47.7 | -179.1 | -84.6 | -176.9 | -39.8 | 0 | 0 | 115.4 | I335 N341 L351 | I335-Q339 PolarHBondContact O-N 2.72Å; I335-Q339 VanDerWaalsContact O-N 3.11Å; Q339-N341 VanDerWaalsContact C-N 3.32Å; Q339-N341 PolarHBondContact O-N 2.72Å; Q339-L351 HydrophobicContact CG-CD1 3.65Å |
| 340 | P | 58.4 | Low | 76.5 | Confident | 102 Ų | 102 | 92 Ų | 92 | 66% | 0.662 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -15 | 179.1 | 27 | -32.1 | 0 | 0 | 0 | 113.9 | Q336 A342 | Q336-P340 WeakPolarHBondContact O-CD 3.37Å; P340-A342 VanDerWaalsContact C-N 3.32Å |
| 341 | N | 57.9 | Low | 76 | Confident | 133 Ų | 133 | 89 Ų | 89 | 71% | 0.711 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 4.2 | 178.6 | -76.3 | -29.3 | 0 | 0 | 0 | 113.7 | T337 G338 Q339 | T337-N341 PolarHBondContact O-ND2 3.25Å; G338-N341 PolarHBondContact O-N 3.45Å; Q339-N341 VanDerWaalsContact C-N 3.32Å; Q339-N341 PolarHBondContact O-N 2.72Å |
| 342 | A | 58.8 | Low | 75.8 | Confident | 39 Ų | 39 | 92.6 Ų | 92.6 | 32% | 0.322 | 49% | 0.492 | S | S | . | . | trans | -73.3 | 121.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | P340 R344 D347 | P340-A342 VanDerWaalsContact C-N 3.32Å; A342-R344 VanDerWaalsContact C-N 3.27Å; A342-R344 PolarHBondContact O-N 3.12Å; A342-D347 HydrophobicContact CB-CB 3.92Å | ||
| 343 | N | 60.1 | Low | 75.3 | Confident | 160 Ų | 160 | 94 Ų | 94 | 86% | 0.856 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -69 | -26.3 | 178.6 | -83.2 | -28.2 | 0 | 0 | 0 | 112.5 | D347 | N343-D347 PolarHBondContact N-OD2 2.93Š|
| 344 | R | 71.5 | Confident | 75.1 | Confident | 181 Ų | 181 | 94.9 Ų | 94.9 | 68% | 0.683 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -130.4 | 144.7 | 176.1 | -62.9 | -179.6 | 177.2 | -177.2 | -1.3 | 110.2 | A342 S346 D347 | A342-R344 VanDerWaalsContact C-N 3.27Å; A342-R344 PolarHBondContact O-N 3.12Å; R344-S346 PolarHBondContact O-N 3.34Å; R344-D347 PolarHBondContact N-OD2 3.29Å; R344-D347 WeakPolarHBondContact O-CB 3.44Å; R344-D347 PolarHBondContact O-N 3.13Å |
| 345 | K | 74.6 | Confident | 75.3 | Confident | 209 Ų | 209 | 93.1 Ų | 93.1 | 91% | 0.909 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -54.8 | -28.2 | 175.8 | -67.6 | -174.8 | 177.9 | -177.5 | 0 | 113.1 | D347 C348 | K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 2.94Å; K345-C348 PolarHBondContact O-SG 3.4Å; K345-C348 VanDerWaalsContact O-SG 3.38Å |
| 346 | S | 75.3 | Confident | 75.5 | Confident | 76 Ų | 76 | 97.1 Ų | 97.1 | 53% | 0.531 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -71 | -18.5 | 177.2 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | R344 C348 V349 | R344-S346 PolarHBondContact O-N 3.34Å; S346-C348 PolarHBondContact O-N 3.23Å; S346-C348 VanDerWaalsContact O-N 3.08Å; S346-V349 PolarHBondContact O-N 3.33Å |
| 347 | D | 77.4 | Confident | 75.7 | Confident | 48 Ų | 48 | 94.1 Ų | 94.1 | 26% | 0.257 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -69.8 | -7.8 | -176.3 | -58.3 | -21 | 0 | 0 | 0 | 111.9 | A342 N343 R344 K345 V349 L350 | A342-D347 HydrophobicContact CB-CB 3.92Å; N343-D347 PolarHBondContact N-OD2 2.93Å; R344-D347 PolarHBondContact N-OD2 3.29Å; R344-D347 WeakPolarHBondContact O-CB 3.44Å; R344-D347 PolarHBondContact O-N 3.13Å; K345-D347 VanDerWaalsContact C-N 3.31Å; K345-D347 PolarHBondContact O-N 2.94Å; D347-V349 PolarHBondContact O-N 3.15Å; D347-V349 VanDerWaalsContact O-N 3.1Å; D347-L350 HydrophobicContact CB-CD1 4.25Å; D347-L350 VanDerWaalsContact O-CB 3.29Å; D347-L350 WeakPolarHBondContact O-CB 3.49Å; D347-L350 WeakPolarHBondContact O-CG 3.28Å; D347-L350 PolarHBondContact O-N 3.14Å |
| 348 | C | 77.9 | Confident | 76.3 | Confident | 76 Ų | 76 | 90.5 Ų | 90.5 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -54.3 | -26.3 | 171.1 | 66.7 | 0 | 0 | 0 | 0 | 113.1 | K345 S346 L350 L351 | K345-C348 PolarHBondContact O-SG 3.4Å; K345-C348 VanDerWaalsContact O-SG 3.38Å; S346-C348 PolarHBondContact O-N 3.23Å; S346-C348 VanDerWaalsContact O-N 3.08Å; C348-L350 PolarHBondContact O-N 2.93Å; C348-L351 PolarHBondContact O-N 3.01Å; C348-L351 VanDerWaalsContact O-N 3.13Å |
| 349 | V | 79 | Confident | 77.5 | Confident | 95 Ų | 95 | 94.5 Ų | 94.5 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -59.8 | -34.3 | 174.2 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | S346 D347 L351 L352 | S346-V349 PolarHBondContact O-N 3.33Å; D347-V349 PolarHBondContact O-N 3.15Å; D347-V349 VanDerWaalsContact O-N 3.1Å; V349-L351 PolarHBondContact O-N 3.15Å; V349-L352 HydrophobicContact CB-CD1 4.44Å; V349-L352 HydrophobicContact CG1-CD1 4.2Å; V349-L352 WeakPolarHBondContact O-CB 3.48Å; V349-L352 WeakPolarHBondContact O-CG 3.25Å; V349-L352 PolarHBondContact O-N 3.29Å; V349-L352 VanDerWaalsContact O-N 3.14Å |
| 350 | L | 77.6 | Confident | 78.7 | Confident | 128 Ų | 128 | 94.9 Ų | 94.9 | 67% | 0.67 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -68 | -19.8 | -179.7 | -56.7 | 176.5 | 0 | 0 | 0 | 112.5 | D347 C348 | D347-L350 HydrophobicContact CB-CD1 4.25Å; D347-L350 VanDerWaalsContact O-CB 3.29Å; D347-L350 WeakPolarHBondContact O-CB 3.49Å; D347-L350 WeakPolarHBondContact O-CG 3.28Å; D347-L350 PolarHBondContact O-N 3.14Å; C348-L350 PolarHBondContact O-N 2.93Å |
| 351 | L | 82.4 | Confident | 80.3 | Confident | 22 Ų | 22 | 91.2 Ų | 91.2 | 12% | 0.115 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -88.7 | -10.7 | 177.7 | -57.4 | 177.5 | 0 | 0 | 0 | 112.7 | Q339 C348 V349 S353 Q354 K355 | Q339-L351 HydrophobicContact CG-CD1 3.65Å; C348-L351 PolarHBondContact O-N 3.01Å; C348-L351 VanDerWaalsContact O-N 3.13Å; V349-L351 PolarHBondContact O-N 3.15Å; L351-S353 PolarHBondContact O-N 3.09Å; L351-Q354 PolarHBondContact O-N 3.38Å; L351-Q354 VanDerWaalsContact O-N 3.15Å; L351-K355 WeakPolarHBondContact O-CG 3.43Å; L351-K355 PolarHBondContact O-N 3.35Å |
| 352 | L | 85.3 | Confident | 82.1 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 53% | 0.529 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | -175 | -68.1 | 176.7 | 0 | 0 | 0 | 112.8 | V349 Q354 K355 L356 | V349-L352 HydrophobicContact CB-CD1 4.44Å; V349-L352 HydrophobicContact CG1-CD1 4.2Å; V349-L352 WeakPolarHBondContact O-CB 3.48Å; V349-L352 WeakPolarHBondContact O-CG 3.25Å; V349-L352 PolarHBondContact O-N 3.29Å; V349-L352 VanDerWaalsContact O-N 3.14Å; L352-Q354 VanDerWaalsContact C-N 3.31Å; L352-Q354 PolarHBondContact O-N 3.31Å; L352-K355 PolarHBondContact O-N 2.66Å; L352-L356 PolarHBondContact O-N 2.97Å |
| 353 | S | 83.8 | Confident | 83.7 | Confident | 87 Ų | 87 | 95.3 Ų | 95.3 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | 176 | 174.1 | 0 | 0 | 0 | 0 | 112 | L351 L356 S357 | L351-S353 PolarHBondContact O-N 3.09Å; S353-L356 PolarHBondContact O-N 3.09Å; S353-S357 PolarHBondContact O-N 3.19Å; S353-S357 VanDerWaalsContact O-N 3.09Å; S353-S357 PolarHBondContact O-OG 3.37Å |
| 354 | Q | 86.8 | Confident | 85.2 | Confident | 63 Ų | 63 | 89.6 Ų | 89.6 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 176.6 | -62.9 | 177.9 | 1.9 | 0 | 0 | 111.3 | L331 I335 L351 L352 L356 S357 L358 | L331-Q354 HydrophobicContact CD1-CB 4.49Å; I335-Q354 HydrophobicContact CD1-CB 3.9Å; I335-Q354 HydrophobicContact CG1-CB 3.85Å; L351-Q354 PolarHBondContact O-N 3.38Å; L351-Q354 VanDerWaalsContact O-N 3.15Å; L352-Q354 VanDerWaalsContact C-N 3.31Å; L352-Q354 PolarHBondContact O-N 3.31Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; Q354-L356 PolarHBondContact O-N 2.73Å; Q354-S357 PolarHBondContact O-N 2.81Å; Q354-L358 PolarHBondContact O-N 2.89Å |
| 355 | K | 89.1 | Confident | 86.3 | Confident | 97 Ų | 97 | 81.6 Ų | 81.6 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 174 | -73.3 | -175.6 | 173.7 | -169.2 | 0 | 112.5 | I335 L351 L352 L358 L359 | I335-K355 HydrophobicContact CD1-CG 4.27Å; I335-K355 HydrophobicContact CG2-CG 4.29Å; L351-K355 WeakPolarHBondContact O-CG 3.43Å; L351-K355 PolarHBondContact O-N 3.35Å; L352-K355 PolarHBondContact O-N 2.66Å; K355-L358 PolarHBondContact O-N 2.8Å; K355-L359 PolarHBondContact O-N 2.73Å |
| 356 | L | 89.8 | Confident | 87.3 | Confident | 93 Ų | 93 | 77.3 Ų | 77.3 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 173.2 | 178.5 | 61.7 | 0 | 0 | 0 | 111.1 | L352 S353 Q354 L358 L359 E360 | L352-L356 PolarHBondContact O-N 2.97Å; S353-L356 PolarHBondContact O-N 3.09Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; Q354-L356 PolarHBondContact O-N 2.73Å; L356-L358 VanDerWaalsContact C-N 3.27Å; L356-L358 PolarHBondContact O-N 2.94Å; L356-L359 WeakPolarHBondContact O-CB 3.5Å; L356-L359 PolarHBondContact O-N 3.44Å; L356-L359 VanDerWaalsContact O-N 3.07Å; L356-E360 WeakPolarHBondContact O-CG 3.27Å; L356-E360 PolarHBondContact O-N 3.27Å |
| 357 | S | 89.5 | Confident | 88.1 | Confident | 50 Ų | 50 | 77.1 Ų | 77.1 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | S353 Q354 L361 | S353-S357 PolarHBondContact O-N 3.19Å; S353-S357 VanDerWaalsContact O-N 3.09Å; S353-S357 PolarHBondContact O-OG 3.37Å; Q354-S357 PolarHBondContact O-N 2.81Å; S357-L361 VanDerWaalsContact O-CB 3.25Å; S357-L361 WeakPolarHBondContact O-CB 3.32Å; S357-L361 PolarHBondContact O-N 2.87Å |
| 358 | L | 93.4 | Very high | 88.9 | Confident | 13 Ų | 13 | 76.6 Ų | 76.6 | 7% | 0.068 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 173.3 | -179.8 | 62.6 | 0 | 0 | 0 | 111.9 | A328 L331 E332 I335 Q354 K355 L356 L361 R362 | A328-L358 HydrophobicContact CB-CD1 4.13Å; A328-L358 VanDerWaalsContact O-CD1 3.32Å; A328-L358 WeakPolarHBondContact O-CD1 3.39Å; L331-L358 HydrophobicContact CB-CD1 4.47Å; L331-L358 HydrophobicContact CD2-CB 3.96Å; L331-L358 HydrophobicContact CG-CB 4.4Å; E332-L358 HydrophobicContact CB-CD1 4.23Å; E332-L358 HydrophobicContact CB-CD2 3.97Å; E332-L358 HydrophobicContact CG-CD2 4.34Å; I335-L358 HydrophobicContact CD1-CB 4.19Å; I335-L358 HydrophobicContact CD1-CD2 4.03Å; Q354-L358 PolarHBondContact O-N 2.89Å; K355-L358 PolarHBondContact O-N 2.8Å; L356-L358 VanDerWaalsContact C-N 3.27Å; L356-L358 PolarHBondContact O-N 2.94Å; L358-L361 PolarHBondContact O-N 3.39Å; L358-R362 HydrophobicContact CD1-CG 4.4Å; L358-R362 WeakPolarHBondContact O-CB 3.36Å; L358-R362 WeakPolarHBondContact O-CG 3.36Å; L358-R362 PolarHBondContact O-N 3.2Å |
| 359 | L | 92.9 | Very high | 89.7 | Confident | 109 Ų | 109 | 78.9 Ų | 78.9 | 57% | 0.571 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.1 | -49.4 | 176 | -178.4 | 72.4 | 0 | 0 | 0 | 111.4 | K355 L356 L361 R362 Q363 | K355-L359 PolarHBondContact O-N 2.73Å; L356-L359 WeakPolarHBondContact O-CB 3.5Å; L356-L359 PolarHBondContact O-N 3.44Å; L356-L359 VanDerWaalsContact O-N 3.07Å; L359-L361 VanDerWaalsContact C-N 3.28Å; L359-L361 PolarHBondContact O-N 2.8Å; L359-R362 PolarHBondContact O-N 3.22Å; L359-Q363 PolarHBondContact O-N 3.11Å |
| 360 | E | 91.4 | Very high | 90.4 | Very high | 110 Ų | 110 | 78.3 Ų | 78.3 | 51% | 0.514 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 177.5 | -68.8 | 171.2 | 160.9 | 0 | 0 | 111.3 | L356 Q363 A364 | L356-E360 WeakPolarHBondContact O-CG 3.27Å; L356-E360 PolarHBondContact O-N 3.27Å; E360-Q363 PolarHBondContact O-N 2.81Å; E360-A364 PolarHBondContact O-N 2.85Å |
| 361 | L | 92.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 74.8 Ų | 74.8 | 14% | 0.136 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 179.1 | -170.7 | 58.8 | 0 | 0 | 0 | 112.1 | K324 L327 A328 S357 L358 L359 Q363 A364 V365 | K324-L361 HydrophobicContact CB-CD1 4.18Å; K324-L361 HydrophobicContact CD-CD1 3.52Å; K324-L361 HydrophobicContact CG-CD1 4.44Å; L327-L361 HydrophobicContact CB-CD2 3.77Å; A328-L361 VanDerWaalsContact CA-CD2 3.5Å; A328-L361 HydrophobicContact CB-CD2 3.85Å; A328-L361 HydrophobicContact CB-CG 4.02Å; A328-L361 VanDerWaalsContact N-CD2 3.34Å; S357-L361 VanDerWaalsContact O-CB 3.25Å; S357-L361 WeakPolarHBondContact O-CB 3.32Å; S357-L361 PolarHBondContact O-N 2.87Å; L358-L361 PolarHBondContact O-N 3.39Å; L359-L361 VanDerWaalsContact C-N 3.28Å; L359-L361 PolarHBondContact O-N 2.8Å; L361-Q363 VanDerWaalsContact C-N 3.33Å; L361-Q363 PolarHBondContact O-N 2.83Å; L361-A364 WeakPolarHBondContact O-CB 3.47Å; L361-A364 PolarHBondContact O-N 2.91Å; L361-V365 WeakPolarHBondContact O-CG2 3.05Å; L361-V365 PolarHBondContact O-N 2.87Å |
| 362 | R | 94.4 | Very high | 91.7 | Very high | 115 Ų | 115 | 75.6 Ų | 75.6 | 43% | 0.434 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 173.5 | -78.2 | 179.6 | 172 | 170.1 | -3.4 | 112.4 | E332 L358 L359 V365 Q366 | E332-R362 IonicContact OE1-CZ 2.73Å; E332-R362 IonicContact OE1-NH2 2.75Å; E332-R362 PolarHBondContact OE1-NH2 3.04Å; E332-R362 IonicContact OE2-CZ 3.55Å; E332-R362 IonicContact OE2-NH2 3.84Å; E332-R362 PolarHBondContact OE2-NH2 3.26Å; L358-R362 HydrophobicContact CD1-CG 4.4Å; L358-R362 WeakPolarHBondContact O-CB 3.36Å; L358-R362 WeakPolarHBondContact O-CG 3.36Å; L358-R362 PolarHBondContact O-N 3.2Å; L359-R362 PolarHBondContact O-N 3.22Å; R362-V365 PolarHBondContact O-N 3.5Å; R362-Q366 WeakPolarHBondContact O-CB 3.38Å; R362-Q366 PolarHBondContact O-N 3.4Å |
| 363 | Q | 94 | Very high | 92.1 | Very high | 143 Ų | 143 | 73.6 Ų | 73.6 | 67% | 0.668 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.4 | -40.9 | 174.5 | -172.2 | 175.9 | 6.4 | 0 | 0 | 111.5 | L359 E360 L361 Q366 S367 | L359-Q363 PolarHBondContact O-N 3.11Å; E360-Q363 PolarHBondContact O-N 2.81Å; L361-Q363 VanDerWaalsContact C-N 3.33Å; L361-Q363 PolarHBondContact O-N 2.83Å; Q363-Q366 PolarHBondContact O-N 3.4Å; Q363-S367 PolarHBondContact O-N 3.19Å |
| 364 | A | 91.6 | Very high | 92.6 | Very high | 40 Ų | 40 | 72.6 Ų | 72.6 | 33% | 0.331 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | E360 L361 S367 L368 | E360-A364 PolarHBondContact O-N 2.85Å; L361-A364 WeakPolarHBondContact O-CB 3.47Å; L361-A364 PolarHBondContact O-N 2.91Å; A364-S367 PolarHBondContact O-N 3.33Å; A364-L368 WeakPolarHBondContact O-CG 3.28Å; A364-L368 PolarHBondContact O-N 3.39Å |
| 365 | V | 94.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 173 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | L321 K324 E325 L361 R362 S367 L368 R369 | L321-V365 HydrophobicContact CD1-CB 4.42Å; L321-V365 HydrophobicContact CD1-CG1 3.82Å; K324-V365 HydrophobicContact CB-CG2 3.77Å; E325-V365 HydrophobicContact CG-CG1 3.67Å; E325-V365 HydrophobicContact CG-CG2 3.96Å; L361-V365 WeakPolarHBondContact O-CG2 3.05Å; L361-V365 PolarHBondContact O-N 2.87Å; R362-V365 PolarHBondContact O-N 3.5Å; V365-S367 VanDerWaalsContact C-N 3.34Å; V365-S367 PolarHBondContact O-N 3.21Å; V365-L368 PolarHBondContact O-N 3.41Å; V365-R369 WeakPolarHBondContact O-CG 3.43Å; V365-R369 PolarHBondContact O-N 3.3Å |
| 366 | Q | 94.7 | Very high | 93.1 | Very high | 119 Ų | 119 | 69.2 Ų | 69.2 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.8 | -40.4 | 179.7 | -172.4 | 62.9 | 21.1 | 0 | 0 | 112.3 | R362 Q363 R369 S370 | R362-Q366 WeakPolarHBondContact O-CB 3.38Å; R362-Q366 PolarHBondContact O-N 3.4Å; Q363-Q366 PolarHBondContact O-N 3.4Å; Q366-R369 PolarHBondContact O-N 3.08Å; Q366-S370 PolarHBondContact O-N 3.23Å |
| 367 | S | 92.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 174.6 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | Q363 A364 V365 S370 S371 | Q363-S367 PolarHBondContact O-N 3.19Å; A364-S367 PolarHBondContact O-N 3.33Å; V365-S367 VanDerWaalsContact C-N 3.34Å; V365-S367 PolarHBondContact O-N 3.21Å; S367-S370 WeakPolarHBondContact O-CB 3.34Å; S367-S370 PolarHBondContact O-N 2.94Å; S367-S371 PolarHBondContact O-N 2.97Å; S367-S371 PolarHBondContact O-OG 3.33Å |
| 368 | L | 93.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 70.2 Ų | 70.2 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.7 | -40 | 178.1 | -72.8 | 169.3 | 0 | 0 | 0 | 112.1 | T317 N320 L321 K324 A364 V365 S370 S371 E372 | T317-L368 HydrophobicContact CG2-CD2 4.12Å; N320-L368 HydrophobicContact CB-CD1 4.32Å; L321-L368 HydrophobicContact CB-CB 4.28Å; L321-L368 HydrophobicContact CD1-CB 3.99Å; K324-L368 HydrophobicContact CG-CD1 4.2Å; A364-L368 WeakPolarHBondContact O-CG 3.28Å; A364-L368 PolarHBondContact O-N 3.39Å; V365-L368 PolarHBondContact O-N 3.41Å; L368-S370 VanDerWaalsContact C-N 3.31Å; L368-S370 PolarHBondContact O-N 3.05Å; L368-S371 PolarHBondContact O-N 2.94Å; L368-E372 WeakPolarHBondContact O-CB 3.2Å; L368-E372 PolarHBondContact O-N 3.46Å |
| 369 | R | 95.1 | Very high | 93.2 | Very high | 125 Ų | 125 | 72.2 Ų | 72.2 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60 | -41 | 172.8 | -74.4 | -176.8 | 175.9 | -171.7 | -3.3 | 111.9 | L321 E325 V365 Q366 E372 A373 | L321-R369 HydrophobicContact CD1-CG 3.66Å; L321-R369 HydrophobicContact CD2-CG 3.84Å; L321-R369 HydrophobicContact CG-CG 4.42Å; E325-R369 IonicContact OE1-CZ 3.94Å; E325-R369 IonicContact OE1-NE 3.93Å; E325-R369 PolarHBondContact OE1-NE 3.42Å; E325-R369 IonicContact OE1-NH2 2.64Å; E325-R369 PolarHBondContact OE1-NH2 3Å; V365-R369 WeakPolarHBondContact O-CG 3.43Å; V365-R369 PolarHBondContact O-N 3.3Å; Q366-R369 PolarHBondContact O-N 3.08Å; R369-E372 PolarHBondContact O-N 3.1Å; R369-A373 WeakPolarHBondContact O-CB 3.49Å; R369-A373 PolarHBondContact O-N 2.78Å |
| 370 | S | 92.5 | Very high | 93.1 | Very high | 82 Ų | 82 | 69.5 Ų | 69.5 | 57% | 0.573 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 175.4 | -169.7 | 0 | 0 | 0 | 0 | 111.9 | Q366 S367 L368 A373 C374 | Q366-S370 PolarHBondContact O-N 3.23Å; S367-S370 WeakPolarHBondContact O-CB 3.34Å; S367-S370 PolarHBondContact O-N 2.94Å; L368-S370 VanDerWaalsContact C-N 3.31Å; L368-S370 PolarHBondContact O-N 3.05Å; S370-A373 PolarHBondContact O-N 3.39Å; S370-C374 PolarHBondContact O-N 3.3Å; S370-C374 VanDerWaalsContact O-N 3.12Å |
| 371 | S | 92.4 | Very high | 93 | Very high | 54 Ų | 54 | 69 Ų | 69 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 175.7 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | S367 L368 C374 L375 | S367-S371 PolarHBondContact O-N 2.97Å; S367-S371 PolarHBondContact O-OG 3.33Å; L368-S371 PolarHBondContact O-N 2.94Å; S371-C374 WeakPolarHBondContact O-CB 3.4Å; S371-C374 PolarHBondContact O-N 3.18Å; S371-L375 VanDerWaalsContact O-CG 3.31Å; S371-L375 WeakPolarHBondContact O-CG 3.4Å; S371-L375 PolarHBondContact O-N 3.14Å |
| 372 | E | 95.8 | Very high | 92.8 | Very high | 40 Ų | 40 | 68.5 Ų | 68.5 | 19% | 0.187 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 175 | -173.9 | -167 | -167 | 0 | 0 | 111.1 | L314 T317 Q318 L321 L368 R369 C374 L375 L376 | L314-E372 HydrophobicContact CD1-CG 3.85Å; T317-E372 HydrophobicContact CG2-CB 4.33Å; Q318-E372 HydrophobicContact CG-CG 4.02Å; Q318-E372 VanDerWaalsContact CG-OE1 3.28Å; Q318-E372 WeakPolarHBondContact CG-OE1 3.04Å; Q318-E372 PolarHBondContact NE2-OE1 3.01Å; L321-E372 VanDerWaalsContact CD2-OE2 3.24Å; L321-E372 WeakPolarHBondContact CD2-OE2 3.27Å; L368-E372 WeakPolarHBondContact O-CB 3.2Å; L368-E372 PolarHBondContact O-N 3.46Å; R369-E372 PolarHBondContact O-N 3.1Å; E372-C374 VanDerWaalsContact C-N 3.29Å; E372-C374 PolarHBondContact O-N 3.03Å; E372-L375 PolarHBondContact O-N 3.02Å; E372-L376 HydrophobicContact CG-CD1 3.89Å; E372-L376 HydrophobicContact CG-CG 4.32Å; E372-L376 WeakPolarHBondContact O-CB 3.38Å; E372-L376 WeakPolarHBondContact O-CG 3.23Å; E372-L376 PolarHBondContact O-N 3.2Å |
| 373 | A | 93.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 49% | 0.488 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | R369 S370 S377 | R369-A373 WeakPolarHBondContact O-CB 3.49Å; R369-A373 PolarHBondContact O-N 2.78Å; S370-A373 PolarHBondContact O-N 3.39Å; A373-S377 WeakPolarHBondContact O-CB 3.49Å; A373-S377 PolarHBondContact O-N 3.4Å |
| 374 | C | 93.2 | Very high | 92.1 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 175.2 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | S370 S371 E372 S377 Q378 | S370-C374 PolarHBondContact O-N 3.3Å; S370-C374 VanDerWaalsContact O-N 3.12Å; S371-C374 WeakPolarHBondContact O-CB 3.4Å; S371-C374 PolarHBondContact O-N 3.18Å; E372-C374 VanDerWaalsContact C-N 3.29Å; E372-C374 PolarHBondContact O-N 3.03Å; C374-S377 PolarHBondContact O-N 3.09Å; C374-Q378 WeakPolarHBondContact O-CG 3.39Å; C374-Q378 PolarHBondContact O-N 3.2Å |
| 375 | L | 92.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 179.8 | -69.7 | 171.5 | 0 | 0 | 0 | 112.2 | K310 E313 L314 S371 E372 Q378 K379 | K310-L375 HydrophobicContact CD-CD2 3.57Å; E313-L375 HydrophobicContact CG-CD1 4.01Å; E313-L375 HydrophobicContact CG-CD2 4.36Å; E313-L375 VanDerWaalsContact OE2-CD2 3.26Å; E313-L375 WeakPolarHBondContact OE2-CD2 3.11Å; L314-L375 HydrophobicContact CB-CB 4.31Å; L314-L375 HydrophobicContact CB-CD1 4.47Å; L314-L375 HydrophobicContact CD1-CB 3.92Å; S371-L375 VanDerWaalsContact O-CG 3.31Å; S371-L375 WeakPolarHBondContact O-CG 3.4Å; S371-L375 PolarHBondContact O-N 3.14Å; E372-L375 PolarHBondContact O-N 3.02Å; L375-Q378 PolarHBondContact O-N 2.82Å; L375-K379 WeakPolarHBondContact O-CB 3.49Å; L375-K379 PolarHBondContact O-N 3.47Å |
| 376 | L | 93.8 | Very high | 91.1 | Very high | 79 Ų | 79 | 66.6 Ų | 66.6 | 41% | 0.414 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 173.7 | -78.2 | 169.9 | 0 | 0 | 0 | 111.4 | L314 E372 K379 A380 | L314-L376 HydrophobicContact CD1-CD2 4.2Å; L314-L376 HydrophobicContact CD1-CG 3.95Å; L314-L376 HydrophobicContact CD2-CD2 3.69Å; L314-L376 HydrophobicContact CD2-CG 4.27Å; E372-L376 HydrophobicContact CG-CD1 3.89Å; E372-L376 HydrophobicContact CG-CG 4.32Å; E372-L376 WeakPolarHBondContact O-CB 3.38Å; E372-L376 WeakPolarHBondContact O-CG 3.23Å; E372-L376 PolarHBondContact O-N 3.2Å; L376-K379 PolarHBondContact O-N 3.47Å; L376-A380 VanDerWaalsContact O-CB 3.28Å; L376-A380 WeakPolarHBondContact O-CB 3.3Å; L376-A380 PolarHBondContact O-N 2.73Å |
| 377 | S | 91.5 | Very high | 90.2 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 59% | 0.594 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 177.2 | -170.5 | 0 | 0 | 0 | 0 | 112 | A373 C374 L381 | A373-S377 WeakPolarHBondContact O-CB 3.49Å; A373-S377 PolarHBondContact O-N 3.4Å; C374-S377 PolarHBondContact O-N 3.09Å; S377-L381 PolarHBondContact O-N 2.72Å |
| 378 | Q | 91.9 | Very high | 89.2 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 177.9 | -72.1 | 175.3 | -8 | 0 | 0 | 111.9 | C374 L375 L381 L382 | C374-Q378 WeakPolarHBondContact O-CG 3.39Å; C374-Q378 PolarHBondContact O-N 3.2Å; L375-Q378 PolarHBondContact O-N 2.82Å; Q378-L381 PolarHBondContact O-N 2.97Å; Q378-L382 WeakPolarHBondContact O-CG 3.31Å; Q378-L382 PolarHBondContact O-N 3.02Å; Q378-L382 VanDerWaalsContact O-N 3.14Å |
| 379 | K | 91.9 | Very high | 87.6 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 24% | 0.235 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 177.3 | -177.1 | -176.9 | 175 | -173.8 | 0 | 111.5 | L307 T311 L314 L375 L376 L381 L382 D383 | L307-K379 HydrophobicContact CD1-CG 3.93Å; T311-K379 WeakPolarHBondContact OG1-CE 3.16Å; L314-K379 HydrophobicContact CD2-CD 3.83Å; L375-K379 WeakPolarHBondContact O-CB 3.49Å; L375-K379 PolarHBondContact O-N 3.47Å; L376-K379 PolarHBondContact O-N 3.47Å; K379-L381 VanDerWaalsContact C-N 3.26Å; K379-L381 PolarHBondContact O-N 2.93Å; K379-L382 PolarHBondContact O-N 2.93Å; K379-L382 VanDerWaalsContact O-N 3.16Å; K379-D383 VanDerWaalsContact CE-OD2 3.25Å; K379-D383 WeakPolarHBondContact CE-OD2 3.38Å; K379-D383 WeakPolarHBondContact CG-OD2 3.21Å; K379-D383 WeakPolarHBondContact O-CB 3.42Å; K379-D383 PolarHBondContact O-N 2.92Å |
| 380 | A | 90.7 | Very high | 85.8 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.1 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L376 T384 | L376-A380 VanDerWaalsContact O-CB 3.28Å; L376-A380 WeakPolarHBondContact O-CB 3.3Å; L376-A380 PolarHBondContact O-N 2.73Å; A380-T384 WeakPolarHBondContact O-CB 3.27Å; A380-T384 PolarHBondContact O-N 3.17Å; A380-T384 PolarHBondContact O-OG1 3.25Å |
| 381 | L | 90.1 | Very high | 84.2 | Confident | 100 Ų | 100 | 66.7 Ų | 66.7 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 176.3 | -168.9 | 68.6 | 0 | 0 | 0 | 111.9 | I293 S377 Q378 K379 K385 | I293-L381 HydrophobicContact CD1-CB 4.32Å; I293-L381 HydrophobicContact CD1-CD2 3.93Å; I293-L381 HydrophobicContact CD1-CG 3.65Å; I293-L381 HydrophobicContact CG1-CD2 4.24Å; I293-L381 HydrophobicContact CG1-CG 4.36Å; S377-L381 PolarHBondContact O-N 2.72Å; Q378-L381 PolarHBondContact O-N 2.97Å; K379-L381 VanDerWaalsContact C-N 3.26Å; K379-L381 PolarHBondContact O-N 2.93Å; L381-K385 PolarHBondContact O-N 3.01Å |
| 382 | L | 88.1 | Confident | 82.7 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 8% | 0.084 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.2 | -48.7 | 176.3 | -72.9 | 167.5 | 0 | 0 | 0 | 111.9 | I293 L303 T306 L307 Q378 K379 T384 K385 M386 | I293-L382 HydrophobicContact CD1-CD2 3.8Å; I293-L382 HydrophobicContact CD1-CG 4.24Å; L303-L382 HydrophobicContact CD2-CD2 3.96Å; T306-L382 HydrophobicContact CG2-CD1 4.4Å; L307-L382 HydrophobicContact CB-CD1 4.33Å; L307-L382 HydrophobicContact CD1-CB 3.91Å; L307-L382 HydrophobicContact CD1-CD1 4.21Å; Q378-L382 WeakPolarHBondContact O-CG 3.31Å; Q378-L382 PolarHBondContact O-N 3.02Å; Q378-L382 VanDerWaalsContact O-N 3.14Å; K379-L382 PolarHBondContact O-N 2.93Å; K379-L382 VanDerWaalsContact O-N 3.16Å; L382-T384 VanDerWaalsContact C-N 3.35Å; L382-T384 PolarHBondContact O-N 3.15Å; L382-K385 PolarHBondContact O-N 3.18Å; L382-M386 WeakPolarHBondContact O-CB 3.45Å; L382-M386 WeakPolarHBondContact O-CG 3.39Å; L382-M386 PolarHBondContact O-N 3.04Å |
| 383 | D | 86.8 | Confident | 81.5 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 34% | 0.342 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 179.3 | -80.3 | -26.9 | 0 | 0 | 0 | 111.2 | L307 K379 K385 M386 A387 | L307-D383 WeakPolarHBondContact CD1-OD1 3.49Å; L307-D383 WeakPolarHBondContact CD2-OD1 3.37Å; K379-D383 VanDerWaalsContact CE-OD2 3.25Å; K379-D383 WeakPolarHBondContact CE-OD2 3.38Å; K379-D383 WeakPolarHBondContact CG-OD2 3.21Å; K379-D383 WeakPolarHBondContact O-CB 3.42Å; K379-D383 PolarHBondContact O-N 2.92Å; D383-K385 PolarHBondContact O-N 3.34Å; D383-M386 PolarHBondContact O-N 3.38Å; D383-A387 VanDerWaalsContact O-CB 3.32Å; D383-A387 WeakPolarHBondContact O-CB 3.28Å; D383-A387 PolarHBondContact O-N 3.31Å |
| 384 | T | 86.9 | Confident | 80.5 | Confident | 97 Ų | 97 | 68.6 Ų | 68.6 | 60% | 0.595 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.3 | -44.1 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | A380 L382 A388 | A380-T384 WeakPolarHBondContact O-CB 3.27Å; A380-T384 PolarHBondContact O-N 3.17Å; A380-T384 PolarHBondContact O-OG1 3.25Å; L382-T384 VanDerWaalsContact C-N 3.35Å; L382-T384 PolarHBondContact O-N 3.15Å; T384-A388 PolarHBondContact O-N 2.97Å |
| 385 | K | 83.6 | Confident | 79.4 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 27% | 0.274 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 179.4 | -158.6 | 79.7 | -171.9 | -165.3 | 0 | 111.9 | E292 I293 W295 L381 L382 D383 A388 A389 | E292-K385 IonicContact OE2-NZ 3.29Å; E292-K385 PolarHBondContact OE2-NZ 3.31Å; I293-K385 HydrophobicContact CB-CB 4.37Å; I293-K385 HydrophobicContact CB-CD 4.32Å; I293-K385 HydrophobicContact CB-CG 4.01Å; I293-K385 HydrophobicContact CD1-CB 4.31Å; I293-K385 HydrophobicContact CG2-CG 4.2Å; I293-K385 WeakPolarHBondContact O-CE 3.48Å; I293-K385 PolarHBondContact O-NZ 2.98Å; W295-K385 HydrophobicContact CB-CG 4.47Å; L381-K385 PolarHBondContact O-N 3.01Å; L382-K385 PolarHBondContact O-N 3.18Å; D383-K385 PolarHBondContact O-N 3.34Å; K385-A388 PolarHBondContact O-N 3.18Å; K385-A389 PolarHBondContact O-N 3.22Å |
| 386 | M | 80.7 | Confident | 78 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 23% | 0.232 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -73 | -34 | 178.4 | -73.4 | -166.6 | 68.8 | 0 | 0 | 113.4 | W295 Q304 L307 L382 D383 A388 A389 | W295-M386 HydrophobicContact CE3-CG 4.24Å; W295-M386 HydrophobicContact CH2-CE 3.87Å; W295-M386 HydrophobicContact CZ3-CE 3.92Å; W295-M386 HydrophobicContact CZ3-CG 3.89Å; W295-M386 HydrophobicContact CZ3-SD 4.19Å; Q304-M386 HydrophobicContact CG-CE 3.37Å; Q304-M386 HydrophobicContact CG-SD 4.34Å; L307-M386 HydrophobicContact CB-SD 4.29Å; L307-M386 HydrophobicContact CD2-CE 4.37Å; L307-M386 HydrophobicContact CD2-SD 3.33Å; L307-M386 WeakPolarHBondContact CD2-SD 3.42Å; L307-M386 HydrophobicContact CG-SD 4.43Å; L382-M386 WeakPolarHBondContact O-CB 3.45Å; L382-M386 WeakPolarHBondContact O-CG 3.39Å; L382-M386 PolarHBondContact O-N 3.04Å; D383-M386 PolarHBondContact O-N 3.38Å; M386-A388 VanDerWaalsContact C-N 3.31Å; M386-A389 PolarHBondContact O-N 2.63Å |
| 387 | A | 77.3 | Confident | 76.5 | Confident | 91 Ų | 91 | 72.5 Ų | 72.5 | 75% | 0.752 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.3 | -28.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D383 A389 | D383-A387 VanDerWaalsContact O-CB 3.32Å; D383-A387 WeakPolarHBondContact O-CB 3.28Å; D383-A387 PolarHBondContact O-N 3.31Å; A387-A389 VanDerWaalsContact C-N 3.33Å |
| 388 | A | 70 | Confident | 74.5 | Confident | 83 Ų | 83 | 77.5 Ų | 77.5 | 69% | 0.686 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -7.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T384 K385 M386 | T384-A388 PolarHBondContact O-N 2.97Å; K385-A388 PolarHBondContact O-N 3.18Å; M386-A388 VanDerWaalsContact C-N 3.31Å |
| 389 | A | 61.8 | Low | 72.5 | Confident | 30 Ų | 30 | 83 Ų | 83 | 25% | 0.248 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -83.7 | 133.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W295 K385 M386 A387 | W295-A389 HydrophobicContact CD2-CB 4.14Å; W295-A389 HydrophobicContact CG-CB 4.13Å; W295-A389 HydrophobicContact CZ2-CB 4.26Å; W295-A389 VanDerWaalsContact NE1-CB 3.33Å; K385-A389 PolarHBondContact O-N 3.22Å; M386-A389 PolarHBondContact O-N 2.63Å; A387-A389 VanDerWaalsContact C-N 3.33Å |
| 390 | V | 56.4 | Low | 69.9 | Low | 118 Ų | 118 | 89.6 Ų | 89.6 | 72% | 0.715 | 53% | 0.53 | S | S | * | . | trans | -67 | 152 | 172.6 | -169.1 | 0 | 0 | 0 | 0 | 109.6 | S392 | V390-S392 CarbonylContact O-C 3.46Å; V390-S392 PolarHBondContact O-N 3.38Å | ||
| 391 | A | 58.8 | Low | 67.3 | Low | 114 Ų | 114 | 95 Ų | 95 | 94% | 0.942 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -52.7 | -10.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 392 | S | 60.6 | Low | 64.6 | Low | 83 Ų | 83 | 97.5 Ų | 97.5 | 58% | 0.58 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -126.6 | 126.9 | 167.7 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | V390 | V390-S392 CarbonylContact O-C 3.46Å; V390-S392 PolarHBondContact O-N 3.38Å |
| 393 | P | 70.6 | Confident | 62 | Low | 44 Ų | 44 | 102 Ų | 102 | 29% | 0.286 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 138.5 | 177.8 | 17.6 | -23.7 | 0 | 0 | 0 | 111.1 | W295 T297 A300 | W295-P393 HydrophobicContact CZ2-CB 4.39Å; T297-P393 HydrophobicContact CG2-CB 4.44Å; T297-P393 HydrophobicContact CG2-CG 4.35Å; T297-P393 WeakPolarHBondContact CG2-O 3.36Å; A300-P393 HydrophobicContact CB-CB 3.92Å; A300-P393 HydrophobicContact CB-CG 3.89Å |
| 394 | P | 73.6 | Confident | 59.5 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 43% | 0.429 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 142.2 | 179.5 | 25.3 | -31.5 | 0 | 0 | 0 | 110.5 | W295 N296 T297 A396 | W295-P394 WeakPolarHBondContact O-CG 3.22Å; N296-P394 CarbonylContact C-O 3.53Å; N296-P394 VanDerWaalsContact CA-O 3.25Å; N296-P394 WeakPolarHBondContact CA-O 3.14Å; N296-P394 VanDerWaalsContact CB-O 3.31Å; N296-P394 WeakPolarHBondContact CB-O 3.42Å; T297-P394 PolarHBondContact N-O 3.34Å; P394-A396 PolarHBondContact O-N 3.17Å |
| 395 | P | 70 | Confident | 56.7 | Low | 84 Ų | 84 | 109.9 Ų | 109.9 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 135.8 | 176.8 | 23.9 | -31.1 | 0 | 0 | 0 | 110.3 | L397 | P395-L397 PolarHBondContact O-N 3.46Š|
| 396 | A | 63.7 | Low | 54.2 | Low | 38 Ų | 38 | 112.8 Ų | 112.8 | 31% | 0.314 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -64.2 | -19.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | N296 T297 L298 P394 | N296-A396 HydrophobicContact CB-CB 4.29Å; T297-A396 PolarHBondContact OG1-N 3.37Å; L298-A396 HydrophobicContact CB-CB 4.49Å; L298-A396 HydrophobicContact CD1-CB 3.43Å; L298-A396 VanDerWaalsContact CD1-CB 3.43Å; L298-A396 HydrophobicContact CG-CB 3.62Å; P394-A396 PolarHBondContact O-N 3.17Å |
| 397 | L | 62 | Low | 51.6 | Low | 114 Ų | 114 | 115 Ų | 115 | 60% | 0.597 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -140.5 | 129.4 | 174.7 | -71.1 | 166.4 | 0 | 0 | 0 | 108.9 | P395 Y399 | P395-L397 PolarHBondContact O-N 3.46Å; L397-Y399 HydrophobicContact CB-CD2 4.19Å; L397-Y399 HydrophobicContact CB-CE2 3.82Å; L397-Y399 HydrophobicContact CD1-CE2 3.98Å; L397-Y399 WeakPolarHBondContact CD1-OH 3.46Å; L397-Y399 PolarHBondContact O-N 3.48Å |
| 398 | Q | 49.7 | Very low | 49.3 | Very low | 189 Ų | 189 | 115.6 Ų | 115.6 | 88% | 0.883 | 66% | 0.664 | S | S | * | * | trans | -84.2 | 104.3 | 163.2 | -78.9 | 178 | -12.4 | 0 | 0 | 107.5 | ||||
| 399 | Y | 48.6 | Very low | 47.3 | Very low | 196 Ų | 196 | 117.4 Ų | 117.4 | 77% | 0.769 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 125.9 | 162.5 | -71.4 | -80.2 | 0 | 0 | 0 | 107.4 | L397 D401 | L397-Y399 HydrophobicContact CB-CD2 4.19Å; L397-Y399 HydrophobicContact CB-CE2 3.82Å; L397-Y399 HydrophobicContact CD1-CE2 3.98Å; L397-Y399 WeakPolarHBondContact CD1-OH 3.46Å; L397-Y399 PolarHBondContact O-N 3.48Å; Y399-D401 PolarHBondContact O-N 3.08Å |
| 400 | E | 39 | Very low | 45.6 | Very low | 192 Ų | 192 | 122.1 Ų | 122.1 | 90% | 0.897 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 132.6 | 169.1 | -73.3 | -165.1 | 155.3 | 0 | 0 | 109.3 | D402 | E400-D402 PolarHBondContact O-N 3.42Š|
| 401 | D | 35.7 | Very low | 44.2 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 89% | 0.893 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 121.5 | 174.8 | -100.4 | -33.7 | 0 | 0 | 0 | 109.7 | Y399 | Y399-D401 PolarHBondContact O-N 3.08Š|
| 402 | D | 33 | Very low | 42.7 | Very low | 152 Ų | 152 | 127.1 Ų | 127.1 | 81% | 0.813 | 68% | 0.679 | S | S | * | * | trans | -148.6 | 146.7 | 154.7 | -122.6 | -25.2 | 0 | 0 | 0 | 114.4 | E400 | E400-D402 PolarHBondContact O-N 3.42Š| ||
| 403 | T | 34 | Very low | 41 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | trans | -68.2 | 162 | -158.1 | 56.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 404 | R | 33.1 | Very low | 39 | Very low | 227 Ų | 227 | 135 Ų | 135 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | trans | 91.3 | 102.9 | 154.7 | -66 | 176.1 | 178.5 | 159.6 | 1.8 | 121.3 | ||||
| 405 | S | 29.6 | Very low | 36.6 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | 54.9 | 131.1 | 114.5 | 89.9 | 0 | 0 | 0 | 0 | 124 | |||||
| 406 | V | 30 | Very low | 34.6 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | trans | 83.1 | 126.5 | 143.4 | -128 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 407 | S | 27.3 | Very low | 32.9 | Very low | 94 Ų | 94 | 145.1 Ų | 145.1 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | trans | 66.3 | 115.1 | 139.2 | 56.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 408 | S | 28.9 | Very low | 31.2 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | 56.9 | 142.2 | 118.2 | 86.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 409 | T | 26.3 | Very low | 30.1 | Very low | 122 Ų | 122 | 145 Ų | 145 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | 87.9 | 114.5 | 149.1 | 51 | 0 | 0 | 0 | 0 | 121 | ||||
| 410 | D | 27 | Very low | 29.1 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | 71.4 | 121.6 | 129.3 | -89.1 | -30 | 0 | 0 | 0 | 123.5 | |||||
| 411 | K | 27.6 | Very low | 28.5 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | trans | 76.4 | 127.8 | 130.9 | -76.8 | 172.3 | -174.8 | 162.5 | 0 | 122.5 | ||||
| 412 | K | 26.1 | Very low | 28.1 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 71.7 | 146.7 | 135.2 | -83.3 | -171.9 | 169.5 | -166.9 | 0 | 116.8 | ||||
| 413 | E | 26.1 | Very low | 28 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 54% | 0.542 | 73% | 0.734 | S | S | . | * | cis | -173.7 | 152.3 | -2.4 | -132.3 | 175.1 | -139 | 0 | 0 | 105.3 | ||||
| 414 | K | 26.9 | Very low | 27.7 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 72.3 | 145 | 153 | -66.4 | 168.8 | 179.4 | 151.3 | 0 | 118.6 | ||||
| 415 | S | 25 | Very low | 27.4 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -178.6 | 152.9 | -6.3 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 416 | S | 27 | Very low | 27.2 | Very low | 89 Ų | 89 | 143 Ų | 143 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | trans | 74.9 | 133.6 | 152 | 123.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 417 | R | 28 | Very low | 27 | Very low | 211 Ų | 211 | 141.2 Ų | 141.2 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | cis | -172.1 | 138 | 34.8 | -118.7 | 174.2 | -94.6 | -177.8 | -8.7 | 104.8 | ||||
| 418 | F | 26.9 | Very low | 26.9 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | -179.2 | 151.3 | 76.2 | -123.3 | -84.2 | 0 | 0 | 0 | 110.2 | |||||
| 419 | D | 26.5 | Very low | 26.9 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | -18.4 | 161.1 | 167.9 | -51.6 | -40.1 | 0 | 0 | 0 | 120.4 | ||||
| 420 | T | 26.3 | Very low | 26.8 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | cis | -170.1 | 159.5 | 27.5 | -22 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 421 | L | 26.6 | Very low | 26.9 | Very low | 145 Ų | 145 | 152.3 Ų | 152.3 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | 82.5 | 92.3 | 149.3 | -73.1 | 154.8 | 0 | 0 | 0 | 121.9 | ||||
| 422 | R | 28 | Very low | 27.1 | Very low | 255 Ų | 255 | 149.4 Ų | 149.4 | 96% | 0.962 | 78% | 0.78 | S | S | * | * | trans | -146.8 | 125.8 | 134.7 | -113.8 | 179.3 | -174.4 | 153.1 | 2.4 | 110.1 | ||||
| 423 | H | 31.8 | Very low | 27 | Very low | 183 Ų | 183 | 151 Ų | 151 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -93.1 | 145.4 | -178.7 | -105.1 | -71.8 | 0 | 0 | 0 | 113.1 | ||||
| 424 | S | 26.9 | Very low | 27.1 | Very low | 112 Ų | 112 | 150 Ų | 150 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -66.7 | 154.8 | -178.3 | -63.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 425 | L | 25.7 | Very low | 27 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -129.6 | 109.2 | 146.8 | -90 | 166 | 0 | 0 | 0 | 109.1 | ||||
| 426 | A | 26.3 | Very low | 27 | Very low | 106 Ų | 106 | 154.5 Ų | 154.5 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -171.5 | 136.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 427 | G | 26 | Very low | 26.9 | Very low | 87 Ų | 87 | 153.7 Ų | 153.7 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | 156.7 | 102.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 428 | M | 25.9 | Very low | 26.7 | Very low | 166 Ų | 166 | 149 Ų | 149 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -96.3 | 151.6 | 179.9 | -145.8 | -169.7 | -69.9 | 0 | 0 | 111.4 | ||||
| 429 | M | 27.2 | Very low | 26.7 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 79% | 0.788 | 83% | 0.827 | S | S | * | * | trans | 63.5 | 121.7 | 149.3 | -66.9 | -120.3 | -150.2 | 0 | 0 | 122.4 | ||||
| 430 | R | 24.8 | Very low | 26.6 | Very low | 244 Ų | 244 | 145 Ų | 145 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | 160.9 | 140.9 | 108.8 | -89 | -174.4 | 175.7 | 172.4 | -1.2 | 112.4 | |||||
| 431 | S | 28.8 | Very low | 26.9 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -68.5 | 173 | 170.3 | 89.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 432 | P | 32.6 | Very low | 26.9 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 67% | 0.669 | 83% | 0.834 | S | S | * | * | -157.8 | 166.2 | 60.9 | 36 | -12.1 | 0 | 0 | 0 | 118.6 | |||||
| 433 | K | 24.5 | Very low | 26.9 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | 156.4 | 136.5 | 118.5 | -90.4 | 177.9 | 177.5 | 173.8 | 0 | 114.5 | |||||
| 434 | A | 26.8 | Very low | 26.8 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | -92.9 | 156.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 435 | M | 25.6 | Very low | 26.9 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 96% | 0.961 | 83% | 0.833 | S | S | * | * | trans | -144 | 142.3 | 152.3 | -101.2 | -147.4 | 161.7 | 0 | 0 | 111.1 | ||||
| 436 | L | 25.4 | Very low | 27.6 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 93% | 0.927 | 83% | 0.825 | S | S | * | * | trans | -77.2 | 158 | -171.5 | -72 | 95 | 0 | 0 | 0 | 114 | ||||
| 437 | G | 23.8 | Very low | 28.5 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -165.4 | 92.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 438 | S | 24 | Very low | 30 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | 81.6 | 105.5 | 106.7 | -178.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 439 | S | 27.9 | Very low | 31.7 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -63.7 | 130.4 | 165.5 | 36.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 440 | S | 23.7 | Very low | 33.5 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -139.2 | 109.8 | 152.3 | 51.8 | 0 | 0 | 0 | 0 | 109.4 | Q442 | S440-Q442 PolarHBondContact O-N 3.15Š| ||
| 441 | S | 33.8 | Very low | 35.7 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -60.6 | 120.7 | 162.3 | 47.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 442 | Q | 26.7 | Very low | 38.3 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -146.7 | 116.5 | 166.8 | -107.8 | 165.9 | -3.3 | 0 | 0 | 111.2 | S440 | S440-Q442 PolarHBondContact O-N 3.15Š| ||
| 443 | F | 26.8 | Very low | 40.8 | Very low | 199 Ų | 199 | 123.8 Ų | 123.8 | 87% | 0.873 | 69% | 0.694 | S | S | * | * | trans | 3.9 | 124.6 | 149.7 | -69.2 | -95.6 | 0 | 0 | 0 | 117.3 | D445 | F443-D445 PolarHBondContact O-N 3.23Å; F443-D445 VanDerWaalsContact O-N 3.14Å | ||
| 444 | F | 29.5 | Very low | 43.8 | Very low | 210 Ų | 210 | 115.3 Ų | 115.3 | 92% | 0.921 | 66% | 0.659 | S | S | * | * | trans | -68.6 | 103.7 | 163.2 | -90.3 | -88.8 | 0 | 0 | 0 | 109.5 | ||||
| 445 | D | 30.1 | Very low | 46.6 | Very low | 145 Ų | 145 | 113.8 Ų | 113.8 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | trans | -70.2 | 127.4 | 156.4 | -91.9 | -33.4 | 0 | 0 | 0 | 108.8 | F443 I447 | F443-D445 PolarHBondContact O-N 3.23Å; F443-D445 VanDerWaalsContact O-N 3.14Å; D445-I447 VanDerWaalsContact C-N 3.35Å; D445-I447 PolarHBondContact O-N 3.3Å | ||
| 446 | V | 39.9 | Very low | 49.4 | Very low | 129 Ų | 129 | 110 Ų | 110 | 78% | 0.782 | 63% | 0.626 | S | S | * | * | trans | -74.7 | 90.7 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 107.4 | P448 | V446-P448 WeakPolarHBondContact O-CD 3.31Š| ||
| 447 | I | 45.8 | Very low | 52.4 | Low | 89 Ų | 89 | 102.1 Ų | 102.1 | 46% | 0.456 | 58% | 0.584 | S | S | . | * | trans | -53.9 | 124.5 | 171.1 | -60.2 | 172.6 | 0 | 0 | 0 | 108.1 | D445 T449 E451 R452 | D445-I447 VanDerWaalsContact C-N 3.35Å; D445-I447 PolarHBondContact O-N 3.3Å; I447-T449 PolarHBondContact O-N 3.12Å; I447-E451 HydrophobicContact CG2-CB 3.76Å; I447-R452 HydrophobicContact CG2-CG 4.24Å | ||
| 448 | P | 57 | Low | 55.5 | Low | 66 Ų | 66 | 102.4 Ų | 102.4 | 43% | 0.429 | 57% | 0.566 | S | S | . | * | trans | -51.4 | 137.6 | 174.4 | -24.4 | 32.6 | 0 | 0 | 0 | 110.7 | V446 S450 E451 | V446-P448 WeakPolarHBondContact O-CD 3.31Å; P448-S450 PolarHBondContact O-N 2.96Å; P448-E451 HydrophobicContact CB-CG 4.46Å; P448-E451 PolarHBondContact O-N 2.58Å | ||
| 449 | T | 61.6 | Low | 58.8 | Low | 77 Ų | 77 | 98.2 Ų | 98.2 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -53.5 | -30.6 | -176.7 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | I447 E451 R452 Q457 | I447-T449 PolarHBondContact O-N 3.12Å; T449-E451 VanDerWaalsContact C-N 3.33Å; T449-E451 PolarHBondContact O-N 3.16Å; T449-R452 PolarHBondContact O-N 2.85Å; T449-Q457 PolarHBondContact O-NE2 3.04Å; T449-Q457 PolarHBondContact O-OE1 3.4Å |
| 450 | S | 64.1 | Low | 61.9 | Low | 29 Ų | 29 | 93.1 Ų | 93.1 | 20% | 0.203 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -72.2 | -16.7 | 179.3 | 55.8 | 0 | 0 | 0 | 0 | 115.3 | P448 | P448-S450 PolarHBondContact O-N 2.96Š|
| 451 | E | 72.5 | Confident | 65.1 | Low | 131 Ų | 131 | 89 Ų | 89 | 61% | 0.612 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -92.3 | -11.5 | 179.2 | -66.8 | -175.4 | 175 | 0 | 0 | 112.8 | I447 P448 T449 | I447-E451 HydrophobicContact CG2-CB 3.76Å; P448-E451 HydrophobicContact CB-CG 4.46Å; P448-E451 PolarHBondContact O-N 2.58Å; T449-E451 VanDerWaalsContact C-N 3.33Å; T449-E451 PolarHBondContact O-N 3.16Å |
| 452 | R | 82.6 | Confident | 67.7 | Low | 87 Ų | 87 | 83.3 Ų | 83.3 | 33% | 0.328 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -74.1 | 141.9 | 176.7 | -60.7 | -174.5 | -166.3 | 169.1 | 4 | 111.3 | I447 T449 E456 Q457 | I447-R452 HydrophobicContact CG2-CG 4.24Å; T449-R452 PolarHBondContact O-N 2.85Å; R452-E456 HydrophobicContact CB-CB 4.34Å; R452-Q457 PolarHBondContact O-NE2 3.28Å |
| 453 | P | 85.5 | Confident | 70.6 | Confident | 76 Ų | 76 | 75.6 Ų | 75.6 | 49% | 0.494 | 39% | 0.391 | S | S | . | . | trans | -51.8 | 149.5 | 173.8 | -25.6 | 33.6 | 0 | 0 | 0 | 112.7 | A455 E456 Q457 | P453-A455 PolarHBondContact O-N 3.25Å; P453-A455 VanDerWaalsContact O-N 3.15Å; P453-E456 WeakPolarHBondContact O-CB 3.28Å; P453-E456 PolarHBondContact O-N 3.32Å; P453-Q457 PolarHBondContact O-N 3.14Å | ||
| 454 | L | 87.4 | Confident | 73.4 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 14% | 0.141 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -53.2 | -39.7 | -178.3 | 179.1 | 62.2 | 0 | 0 | 0 | 112.8 | E456 Q457 W459 Y460 Y491 I523 P524 | L454-E456 PolarHBondContact O-N 3.5Å; L454-Q457 HydrophobicContact CD1-CG 4.4Å; L454-Q457 WeakPolarHBondContact O-CB 3.22Å; L454-Q457 WeakPolarHBondContact O-CG 3.39Å; L454-Q457 PolarHBondContact O-N 2.9Å; L454-Q457 VanDerWaalsContact O-N 3.12Å; L454-W459 HydrophobicContact CD1-CH2 3.87Å; L454-W459 HydrophobicContact CD1-CZ3 3.8Å; L454-Y460 HydrophobicContact CD1-CD2 3.81Å; L454-Y460 HydrophobicContact CD1-CE2 4.42Å; L454-Y460 HydrophobicContact CD1-CG 3.92Å; L454-Y460 HydrophobicContact CD2-CD2 4.2Å; L454-Y460 HydrophobicContact CD2-CE2 3.97Å; L454-Y460 HydrophobicContact CG-CD1 4.17Å; L454-Y460 HydrophobicContact CG-CD2 3.85Å; L454-Y460 HydrophobicContact CG-CE1 4.35Å; L454-Y460 HydrophobicContact CG-CE2 4.05Å; L454-Y460 HydrophobicContact CG-CG 3.9Å; L454-Y460 VanDerWaalsContact O-CB 3.3Å; L454-Y460 WeakPolarHBondContact O-CB 3.5Å; L454-Y460 VanDerWaalsContact O-CD1 3.27Å; L454-Y460 WeakPolarHBondContact O-CD1 3.01Å; L454-Y491 HydrophobicContact CD2-CD1 3.87Å; L454-Y491 HydrophobicContact CD2-CE1 3.47Å; L454-Y491 VanDerWaalsContact CD2-CE1 3.47Å; L454-Y491 HydrophobicContact CD2-CE2 4.47Å; L454-I523 HydrophobicContact CD1-CB 4.14Å; L454-I523 HydrophobicContact CD1-CG2 3.84Å; L454-I523 HydrophobicContact CD2-CB 4.37Å; L454-I523 HydrophobicContact CD2-CD1 3.9Å; L454-P524 HydrophobicContact CB-CG 4.46Å; L454-P524 HydrophobicContact CD1-CG 4.48Å |
| 455 | A | 84.3 | Confident | 76 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 51% | 0.512 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -59.7 | -30.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P453 K551 | P453-A455 PolarHBondContact O-N 3.25Å; P453-A455 VanDerWaalsContact O-N 3.15Å; A455-K551 PolarHBondContact O-NZ 3.1Å |
| 456 | E | 85.5 | Confident | 78.7 | Confident | 117 Ų | 117 | 57.1 Ų | 57.1 | 55% | 0.547 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -87.1 | -9.2 | -178.7 | -64.5 | -179.6 | -160.5 | 0 | 0 | 113.2 | R452 P453 L454 E458 | R452-E456 HydrophobicContact CB-CB 4.34Å; P453-E456 WeakPolarHBondContact O-CB 3.28Å; P453-E456 PolarHBondContact O-N 3.32Å; L454-E456 PolarHBondContact O-N 3.5Å; E456-E458 PolarHBondContact O-N 3.49Å |
| 457 | Q | 88.4 | Confident | 80.7 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | trans | -66 | 134 | 178 | -61.6 | -63.6 | -29 | 0 | 0 | 110.7 | T449 R452 P453 L454 W459 Y460 P524 K551 | T449-Q457 PolarHBondContact O-NE2 3.04Å; T449-Q457 PolarHBondContact O-OE1 3.4Å; R452-Q457 PolarHBondContact O-NE2 3.28Å; P453-Q457 PolarHBondContact O-N 3.14Å; L454-Q457 HydrophobicContact CD1-CG 4.4Å; L454-Q457 WeakPolarHBondContact O-CB 3.22Å; L454-Q457 WeakPolarHBondContact O-CG 3.39Å; L454-Q457 PolarHBondContact O-N 2.9Å; L454-Q457 VanDerWaalsContact O-N 3.12Å; Q457-W459 VanDerWaalsContact C-N 3.27Å; Q457-W459 HydrophobicContact CB-CD2 4.02Å; Q457-W459 HydrophobicContact CB-CE3 4.32Å; Q457-W459 HydrophobicContact CB-CH2 4.16Å; Q457-W459 HydrophobicContact CB-CZ2 3.85Å; Q457-W459 HydrophobicContact CB-CZ3 4.37Å; Q457-W459 HydrophobicContact CG-CH2 3.91Å; Q457-W459 HydrophobicContact CG-CZ2 3.59Å; Q457-W459 PolarHBondContact O-N 3.04Å; Q457-Y460 PolarHBondContact O-N 2.59Å; Q457-P524 HydrophobicContact CG-CB 4.41Å; Q457-P524 HydrophobicContact CG-CG 3.92Å; Q457-K551 VanDerWaalsContact O-CE 3.24Å; Q457-K551 WeakPolarHBondContact O-CE 3.43Å; Q457-K551 PolarHBondContact O-NZ 3.48Å | ||
| 458 | E | 89.4 | Confident | 82.5 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.4 | -177.2 | -60.7 | -168.5 | 152 | 0 | 0 | 112.4 | E456 V550 K551 K553 | E456-E458 PolarHBondContact O-N 3.49Å; E458-V550 HydrophobicContact CB-CB 4.34Å; E458-V550 HydrophobicContact CB-CG1 4.02Å; E458-V550 WeakPolarHBondContact O-CA 3.29Å; E458-K551 PolarHBondContact O-N 3.22Å; E458-K553 VanDerWaalsContact OE1-CE 3.26Å; E458-K553 WeakPolarHBondContact OE1-CE 3.4Å; E458-K553 IonicContact OE1-NZ 3.33Å; E458-K553 PolarHBondContact OE1-NZ 3.39Å |
| 459 | W | 92.7 | Very high | 84 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.6 | 176.4 | 50.4 | -101.3 | 0 | 0 | 0 | 114 | L454 Q457 H461 F479 V481 I523 P524 I527 P548 V549 | L454-W459 HydrophobicContact CD1-CH2 3.87Å; L454-W459 HydrophobicContact CD1-CZ3 3.8Å; Q457-W459 VanDerWaalsContact C-N 3.27Å; Q457-W459 HydrophobicContact CB-CD2 4.02Å; Q457-W459 HydrophobicContact CB-CE3 4.32Å; Q457-W459 HydrophobicContact CB-CH2 4.16Å; Q457-W459 HydrophobicContact CB-CZ2 3.85Å; Q457-W459 HydrophobicContact CB-CZ3 4.37Å; Q457-W459 HydrophobicContact CG-CH2 3.91Å; Q457-W459 HydrophobicContact CG-CZ2 3.59Å; Q457-W459 PolarHBondContact O-N 3.04Å; W459-H461 PolarHBondContact O-CD2 3.3Å; W459-F479 HydrophobicContact CG-CE2 4.4Å; W459-V481 HydrophobicContact CE3-CB 3.69Å; W459-V481 HydrophobicContact CE3-CG2 3.57Å; W459-V481 HydrophobicContact CH2-CG2 4.44Å; W459-V481 HydrophobicContact CZ3-CB 3.53Å; W459-V481 HydrophobicContact CZ3-CG1 4.27Å; W459-V481 HydrophobicContact CZ3-CG2 3.35Å; W459-V481 PolarHBondContact O-N 3.03Å; W459-I523 HydrophobicContact CH2-CG2 4.18Å; W459-I523 HydrophobicContact CZ3-CG2 4.35Å; W459-P524 HydrophobicContact CH2-CG 4.48Å; W459-P524 HydrophobicContact CZ2-CB 4.4Å; W459-I527 HydrophobicContact CD2-CG2 4.47Å; W459-I527 HydrophobicContact CH2-CB 3.92Å; W459-I527 HydrophobicContact CH2-CG1 3.71Å; W459-I527 HydrophobicContact CH2-CG2 4.19Å; W459-I527 HydrophobicContact CZ2-CB 4Å; W459-I527 HydrophobicContact CZ2-CG1 4.3Å; W459-I527 HydrophobicContact CZ2-CG2 3.96Å; W459-I527 HydrophobicContact CZ3-CB 4.5Å; W459-I527 HydrophobicContact CZ3-CG1 3.95Å; W459-P548 HydrophobicContact CB-CB 4.01Å; W459-P548 HydrophobicContact CG-CB 4.41Å; W459-V549 WeakPolarHBondContact CA-O 3.46Å |
| 460 | Y | 92.8 | Very high | 85.4 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -94.4 | 111.2 | 173.9 | 177 | -112.7 | 0 | 0 | 0 | 110.7 | L454 Q457 V481 Y491 K551 | L454-Y460 HydrophobicContact CD1-CD2 3.81Å; L454-Y460 HydrophobicContact CD1-CE2 4.42Å; L454-Y460 HydrophobicContact CD1-CG 3.92Å; L454-Y460 HydrophobicContact CD2-CD2 4.2Å; L454-Y460 HydrophobicContact CD2-CE2 3.97Å; L454-Y460 HydrophobicContact CG-CD1 4.17Å; L454-Y460 HydrophobicContact CG-CD2 3.85Å; L454-Y460 HydrophobicContact CG-CE1 4.35Å; L454-Y460 HydrophobicContact CG-CE2 4.05Å; L454-Y460 HydrophobicContact CG-CG 3.9Å; L454-Y460 VanDerWaalsContact O-CB 3.3Å; L454-Y460 WeakPolarHBondContact O-CB 3.5Å; L454-Y460 VanDerWaalsContact O-CD1 3.27Å; L454-Y460 WeakPolarHBondContact O-CD1 3.01Å; Q457-Y460 PolarHBondContact O-N 2.59Å; Y460-V481 CarbonylContact C-O 3.59Å; Y460-V481 WeakPolarHBondContact CA-O 3.36Å; Y460-V481 HydrophobicContact CD2-CB 4.25Å; Y460-V481 HydrophobicContact CD2-CG1 4.02Å; Y460-V481 WeakPolarHBondContact CD2-O 3.44Å; Y460-V481 HydrophobicContact CE2-CG1 4.44Å; Y460-Y491 HydrophobicContact CE2-CD1 4.07Å; Y460-Y491 HydrophobicContact CE2-CE1 4.05Å; Y460-K551 WeakPolarHBondContact O-CD 3.46Å; Y460-K551 WeakPolarHBondContact O-CE 3.49Å; Y460-K551 PolarHBondContact O-NZ 3.24Å |
| 461 | H | 90.6 | Very high | 86.4 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | trans | -98.3 | 10.6 | -174.3 | -69 | -111.8 | 0 | 0 | 0 | 113.7 | W459 A463 I464 V481 V549 | W459-H461 PolarHBondContact O-CD2 3.3Å; H461-A463 PolarHBondContact O-N 2.88Å; H461-I464 HydrophobicContact CB-CD1 3.42Å; H461-I464 VanDerWaalsContact CB-CD1 3.42Å; H461-I464 HydrophobicContact CB-CG1 3.65Å; H461-I464 HydrophobicContact CB-CG2 4.26Å; H461-I464 WeakPolarHBondContact O-CG2 3.47Å; H461-V481 PolarHBondContact N-O 3.21Å; H461-V549 PolarHBondContact NE2-O 3.09Å | ||
| 462 | G | 89.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -135 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | I464 R482 E483 Q629 | G462-I464 VanDerWaalsContact C-N 3.28Å; G462-I464 PolarHBondContact O-N 3.18Å; G462-R482 CarbonylContact O-C 3.56Å; G462-R482 VanDerWaalsContact O-CA 3.31Å; G462-R482 WeakPolarHBondContact O-CA 3.38Å; G462-R482 VanDerWaalsContact O-CB 3.3Å; G462-R482 WeakPolarHBondContact O-CB 3.46Å; G462-E483 PolarHBondContact O-N 3.37Å; G462-Q629 WeakPolarHBondContact CA-O 3.47Å |
| 463 | A | 87.3 | Confident | 87.6 | Confident | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 25.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H461 T628 Q631 | H461-A463 PolarHBondContact O-N 2.88Å; A463-T628 PolarHBondContact N-O 2.97Å; A463-Q631 HydrophobicContact CB-CG 4.14Å |
| 464 | I | 86 | Confident | 87.8 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | trans | -60.9 | 139.9 | 177.5 | 58.2 | 161.6 | 0 | 0 | 0 | 111.8 | H461 G462 E468 A469 L472 L480 R482 T628 | H461-I464 HydrophobicContact CB-CD1 3.42Å; H461-I464 VanDerWaalsContact CB-CD1 3.42Å; H461-I464 HydrophobicContact CB-CG1 3.65Å; H461-I464 HydrophobicContact CB-CG2 4.26Å; H461-I464 WeakPolarHBondContact O-CG2 3.47Å; G462-I464 VanDerWaalsContact C-N 3.28Å; G462-I464 PolarHBondContact O-N 3.18Å; I464-E468 HydrophobicContact CB-CB 4.45Å; I464-A469 HydrophobicContact CD1-CB 3.91Å; I464-L472 HydrophobicContact CD1-CD1 3.96Å; I464-L480 HydrophobicContact CD1-CD1 4.1Å; I464-L480 HydrophobicContact CD1-CD2 4.37Å; I464-R482 HydrophobicContact CG1-CB 4Å; I464-T628 HydrophobicContact CG2-CG2 4.09Å | ||
| 465 | P | 83.4 | Confident | 88.1 | Confident | 14 Ų | 14 | 51 Ų | 51 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | trans | -60.6 | 155.3 | 175.3 | -23.9 | 34.4 | 0 | 0 | 0 | 113 | T467 E468 A469 L606 | P465-T467 VanDerWaalsContact C-N 3.27Å; P465-T467 PolarHBondContact O-N 3.41Å; P465-E468 WeakPolarHBondContact O-CB 3.29Å; P465-E468 PolarHBondContact O-N 3.42Å; P465-E468 VanDerWaalsContact O-N 3.17Å; P465-A469 PolarHBondContact O-N 2.87Å; P465-L606 HydrophobicContact CG-CD1 3.78Å | ||
| 466 | R | 86.3 | Confident | 88.5 | Confident | 142 Ų | 142 | 52 Ų | 52 | 54% | 0.536 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -54.3 | -42.1 | 178.1 | 179.1 | 179.4 | 177.7 | 179.4 | -3.3 | 112.9 | A469 Q470 H503 | R466-A469 WeakPolarHBondContact O-CB 3.42Å; R466-A469 PolarHBondContact O-N 3.33Å; R466-Q470 WeakPolarHBondContact O-CG 3.48Å; R466-Q470 PolarHBondContact O-N 3.1Å; R466-H503 PolarHBondContact NE-CD2 2.91Å; R466-H503 PolarHBondContact NE-NE2 3.36Å; R466-H503 PolarHBondContact NH2-CD2 3.2Å; R466-H503 VanDerWaalsContact NH2-CD2 3.3Å |
| 467 | T | 83.1 | Confident | 88.7 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 28% | 0.276 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.5 | -39.7 | -179.3 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | P465 A469 Q470 E471 I603 | P465-T467 VanDerWaalsContact C-N 3.27Å; P465-T467 PolarHBondContact O-N 3.41Å; T467-A469 VanDerWaalsContact C-N 3.31Å; T467-A469 PolarHBondContact O-N 3.02Å; T467-Q470 WeakPolarHBondContact O-CB 3.31Å; T467-Q470 PolarHBondContact O-N 2.98Å; T467-E471 PolarHBondContact O-N 2.95Å; T467-E471 VanDerWaalsContact O-N 3.15Å; T467-I603 HydrophobicContact CG2-CD1 3.6Å; T467-I603 HydrophobicContact CG2-CG1 4.4Å; T467-I603 WeakPolarHBondContact OG1-CD1 3.5Å; T467-I603 WeakPolarHBondContact OG1-CG1 3.47Å |
| 468 | E | 83.6 | Confident | 89 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 174.6 | -166.1 | 68.6 | -168 | 0 | 0 | 110.3 | I464 P465 Q470 E471 L472 L606 | I464-E468 HydrophobicContact CB-CB 4.45Å; P465-E468 WeakPolarHBondContact O-CB 3.29Å; P465-E468 PolarHBondContact O-N 3.42Å; P465-E468 VanDerWaalsContact O-N 3.17Å; E468-Q470 VanDerWaalsContact C-N 3.25Å; E468-Q470 PolarHBondContact O-N 3.43Å; E468-E471 PolarHBondContact O-N 2.99Å; E468-L472 WeakPolarHBondContact O-CG 3.44Å; E468-L472 PolarHBondContact O-N 3.5Å; E468-L472 VanDerWaalsContact O-N 3.16Å; E468-L606 HydrophobicContact CB-CD1 4.38Å; E468-L606 HydrophobicContact CG-CD1 4.2Å |
| 469 | A | 88.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.9 | -37.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I464 P465 R466 T467 E471 L472 L473 L480 | I464-A469 HydrophobicContact CD1-CB 3.91Å; P465-A469 PolarHBondContact O-N 2.87Å; R466-A469 WeakPolarHBondContact O-CB 3.42Å; R466-A469 PolarHBondContact O-N 3.33Å; T467-A469 VanDerWaalsContact C-N 3.31Å; T467-A469 PolarHBondContact O-N 3.02Å; A469-E471 VanDerWaalsContact C-N 3.34Å; A469-E471 PolarHBondContact O-N 3.35Å; A469-L472 PolarHBondContact O-N 3.29Å; A469-L473 WeakPolarHBondContact O-CD1 3.23Å; A469-L473 WeakPolarHBondContact O-CG 3.39Å; A469-L473 PolarHBondContact O-N 3.32Å; A469-L480 HydrophobicContact CB-CD1 3.98Å; A469-L480 HydrophobicContact CB-CD2 4.37Å |
| 470 | Q | 89.4 | Confident | 89.6 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 27% | 0.271 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67 | -33.1 | 178.4 | -71.5 | 173 | -33 | 0 | 0 | 113.2 | R466 T467 E468 R501 H503 | R466-Q470 WeakPolarHBondContact O-CG 3.48Å; R466-Q470 PolarHBondContact O-N 3.1Å; T467-Q470 WeakPolarHBondContact O-CB 3.31Å; T467-Q470 PolarHBondContact O-N 2.98Å; E468-Q470 VanDerWaalsContact C-N 3.25Å; E468-Q470 PolarHBondContact O-N 3.43Å; Q470-R501 HydrophobicContact CB-CB 4.45Å; Q470-R501 HydrophobicContact CB-CG 4.18Å; Q470-R501 HydrophobicContact CG-CB 3.85Å; Q470-R501 HydrophobicContact CG-CG 4.13Å; Q470-H503 PolarHBondContact NE2-NE2 3.25Å |
| 471 | E | 85.4 | Confident | 89.7 | Confident | 86 Ų | 86 | 41.1 Ų | 41.1 | 40% | 0.402 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -74.7 | -31 | 177.5 | -67.6 | -174.4 | -175.9 | 0 | 0 | 113.2 | T467 E468 A469 L473 R610 | T467-E471 PolarHBondContact O-N 2.95Å; T467-E471 VanDerWaalsContact O-N 3.15Å; E468-E471 PolarHBondContact O-N 2.99Å; A469-E471 VanDerWaalsContact C-N 3.34Å; A469-E471 PolarHBondContact O-N 3.35Å; E471-L473 VanDerWaalsContact C-N 3.27Å; E471-R610 IonicContact OE1-NH1 2.93Å; E471-R610 PolarHBondContact OE1-NH1 3Å; E471-R610 IonicContact OE2-CZ 3.22Å; E471-R610 IonicContact OE2-NH1 2.68Å; E471-R610 PolarHBondContact OE2-NH1 3.16Å |
| 472 | L | 88.3 | Confident | 89.8 | Confident | 51 Ų | 51 | 41.1 Ų | 41.1 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71.2 | -23.4 | 175.7 | -69.9 | 176.6 | 0 | 0 | 0 | 112.6 | I464 E468 A469 R474 L480 V549 | I464-L472 HydrophobicContact CD1-CD1 3.96Å; E468-L472 WeakPolarHBondContact O-CG 3.44Å; E468-L472 PolarHBondContact O-N 3.5Å; E468-L472 VanDerWaalsContact O-N 3.16Å; A469-L472 PolarHBondContact O-N 3.29Å; L472-R474 PolarHBondContact O-N 3.48Å; L472-L480 HydrophobicContact CB-CD2 3.9Å; L472-L480 HydrophobicContact CD1-CD2 3.92Å; L472-V549 HydrophobicContact CB-CG1 4.21Å |
| 473 | L | 92.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -90.8 | 101.8 | 179.4 | -58.2 | 166.5 | 0 | 0 | 0 | 110.4 | A469 E471 D478 L480 F496 R501 V549 | A469-L473 WeakPolarHBondContact O-CD1 3.23Å; A469-L473 WeakPolarHBondContact O-CG 3.39Å; A469-L473 PolarHBondContact O-N 3.32Å; E471-L473 VanDerWaalsContact C-N 3.27Å; L473-D478 HydrophobicContact CB-CB 4.38Å; L473-D478 HydrophobicContact CD2-CB 3.81Å; L473-D478 WeakPolarHBondContact CD2-O 3.29Å; L473-L480 HydrophobicContact CD2-CD2 4.37Å; L473-L480 HydrophobicContact CD2-CG 4.37Å; L473-F496 HydrophobicContact CB-CB 3.87Å; L473-R501 HydrophobicContact CD1-CG 4.48Å; L473-V549 HydrophobicContact CD2-CG2 4.11Å | ||
| 474 | R | 90.4 | Very high | 89.6 | Confident | 199 Ų | 199 | 43.8 Ų | 43.8 | 75% | 0.751 | 20% | 0.198 | S | C | * | . | trans | -109.7 | -32.1 | -167.7 | -65.1 | -177.8 | 177.8 | -179.6 | -2.1 | 113.8 | L472 D478 | L472-R474 PolarHBondContact O-N 3.48Å; R474-D478 PolarHBondContact N-OD2 3.17Å | ||
| 475 | Q | 92.4 | Very high | 88.9 | Confident | 113 Ų | 113 | 47.4 Ų | 47.4 | 53% | 0.528 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -130.9 | 155.4 | -174.5 | 60.1 | 177.6 | 7.6 | 0 | 0 | 112.1 | G477 D478 F496 | Q475-G477 PolarHBondContact O-N 3.45Å; Q475-D478 WeakPolarHBondContact CG-OD1 3.23Å; Q475-D478 VanDerWaalsContact CG-OD2 3.24Å; Q475-D478 WeakPolarHBondContact CG-OD2 3.4Å; Q475-D478 PolarHBondContact N-OD2 3.06Å; Q475-D478 PolarHBondContact NE2-OD1 3.28Å; Q475-D478 VanDerWaalsContact O-CB 3.23Å; Q475-D478 WeakPolarHBondContact O-CB 3.48Å; Q475-D478 VanDerWaalsContact O-CG 3.24Å; Q475-D478 PolarHBondContact O-N 3.5Å; Q475-F496 WeakPolarHBondContact O-CD1 3.44Å |
| 476 | Q | 92.8 | Very high | 87.9 | Confident | 84 Ų | 84 | 50.1 Ų | 50.1 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 128.4 | -175.1 | 178.5 | 66.4 | 28.6 | 0 | 0 | 111.5 | D478 S497 N547 | Q476-D478 VanDerWaalsContact C-N 3.27Å; Q476-D478 PolarHBondContact O-N 3.02Å; Q476-S497 PolarHBondContact NE2-OG 2.68Å; Q476-S497 VanDerWaalsContact NE2-OG 3.11Å; Q476-S497 VanDerWaalsContact OE1-CA 3.3Å; Q476-N547 PolarHBondContact O-ND2 2.85Å |
| 477 | G | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 6.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q475 F479 F496 L546 N547 | Q475-G477 PolarHBondContact O-N 3.45Å; G477-F479 PolarHBondContact O-N 3.1Å; G477-F496 WeakPolarHBondContact CA-O 3.32Å; G477-F496 PolarHBondContact N-O 3.12Å; G477-L546 PolarHBondContact O-N 3.47Å; G477-N547 PolarHBondContact O-N 2.81Å |
| 478 | D | 96.4 | Very high | 86.7 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 136.4 | 162.1 | -81.5 | -7.6 | 0 | 0 | 0 | 109.6 | L473 R474 Q475 Q476 V495 F496 N547 V549 | L473-D478 HydrophobicContact CB-CB 4.38Å; L473-D478 HydrophobicContact CD2-CB 3.81Å; L473-D478 WeakPolarHBondContact CD2-O 3.29Å; R474-D478 PolarHBondContact N-OD2 3.17Å; Q475-D478 WeakPolarHBondContact CG-OD1 3.23Å; Q475-D478 VanDerWaalsContact CG-OD2 3.24Å; Q475-D478 WeakPolarHBondContact CG-OD2 3.4Å; Q475-D478 PolarHBondContact N-OD2 3.06Å; Q475-D478 PolarHBondContact NE2-OD1 3.28Å; Q475-D478 VanDerWaalsContact O-CB 3.23Å; Q475-D478 WeakPolarHBondContact O-CB 3.48Å; Q475-D478 VanDerWaalsContact O-CG 3.24Å; Q475-D478 PolarHBondContact O-N 3.5Å; Q476-D478 VanDerWaalsContact C-N 3.27Å; Q476-D478 PolarHBondContact O-N 3.02Å; D478-V495 CarbonylContact O-C 3.59Å; D478-V495 VanDerWaalsContact O-CA 3.27Å; D478-V495 WeakPolarHBondContact O-CA 3.19Å; D478-V495 WeakPolarHBondContact O-CG1 3.24Å; D478-F496 PolarHBondContact O-N 3.46Å; D478-N547 CarbonylContact C-O 3.45Å; D478-N547 VanDerWaalsContact CA-O 3.29Å; D478-N547 WeakPolarHBondContact CA-O 3.43Å; D478-N547 WeakPolarHBondContact OD1-CB 3.41Å; D478-V549 HydrophobicContact CB-CG2 3.83Å |
| 479 | F | 96.8 | Very high | 86.4 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154.8 | 175.2 | 74.6 | -86.1 | 0 | 0 | 0 | 113.5 | W459 G477 L493 S494 V495 I527 F531 L545 N547 P548 V549 | W459-F479 HydrophobicContact CG-CE2 4.4Å; G477-F479 PolarHBondContact O-N 3.1Å; F479-L493 HydrophobicContact CB-CD1 4.1Å; F479-L493 HydrophobicContact CD2-CD1 3.89Å; F479-L493 HydrophobicContact CG-CD1 4.39Å; F479-S494 CarbonylContact C-O 3.59Å; F479-S494 WeakPolarHBondContact CA-O 3.33Å; F479-V495 HydrophobicContact CB-CB 4.45Å; F479-V495 HydrophobicContact CB-CG1 4.28Å; F479-V495 HydrophobicContact CB-CG2 3.98Å; F479-I527 HydrophobicContact CE2-CG2 3.65Å; F479-I527 HydrophobicContact CZ-CG2 4.21Å; F479-F531 AromaticContact CE1-CD2 3.58Å; F479-F531 HydrophobicContact CE1-CD2 3.58Å; F479-F531 AromaticContact CE1-CE2 3.79Å; F479-F531 HydrophobicContact CE1-CE2 3.79Å; F479-F531 AromaticContact CZ-CD2 3.83Å; F479-F531 HydrophobicContact CZ-CD2 3.83Å; F479-F531 HydrophobicContact CZ-CE2 4.25Å; F479-F531 HydrophobicContact CZ-CG 4.35Å; F479-L545 HydrophobicContact CB-CD2 3.86Å; F479-L545 HydrophobicContact CD1-CB 3.84Å; F479-L545 HydrophobicContact CD1-CD2 4.16Å; F479-L545 HydrophobicContact CD1-CG 4.4Å; F479-L545 HydrophobicContact CD2-CD1 4.28Å; F479-L545 HydrophobicContact CD2-CD2 4.46Å; F479-L545 HydrophobicContact CE1-CB 3.89Å; F479-L545 HydrophobicContact CE2-CD1 4.32Å; F479-L545 HydrophobicContact CG-CB 4.37Å; F479-L545 HydrophobicContact CG-CD1 4.41Å; F479-L545 HydrophobicContact CG-CD2 3.91Å; F479-L545 HydrophobicContact CG-CG 4.45Å; F479-L545 HydrophobicContact CZ-CB 4.47Å; F479-L545 HydrophobicContact CZ-CD1 4.46Å; F479-N547 VanDerWaalsContact CD1-C 3.48Å; F479-N547 WeakPolarHBondContact CD1-O 3.4Å; F479-N547 VanDerWaalsContact CE1-C 3.45Å; F479-N547 PolarHBondContact N-O 3.45Å; F479-P548 HydrophobicContact CE1-CB 3.89Å; F479-P548 HydrophobicContact CE1-CG 4.45Å; F479-P548 VanDerWaalsContact CE1-N 3.29Å; F479-P548 HydrophobicContact CE2-CB 4.21Å; F479-P548 HydrophobicContact CZ-CB 3.62Å; F479-P548 HydrophobicContact CZ-CG 4.4Å; F479-V549 PolarHBondContact O-N 2.92Å |
| 480 | L | 96.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 158.6 | 168.7 | 61.9 | 84.7 | 0 | 0 | 0 | 110.6 | I464 A469 L472 L473 R482 S494 V549 | I464-L480 HydrophobicContact CD1-CD1 4.1Å; I464-L480 HydrophobicContact CD1-CD2 4.37Å; A469-L480 HydrophobicContact CB-CD1 3.98Å; A469-L480 HydrophobicContact CB-CD2 4.37Å; L472-L480 HydrophobicContact CB-CD2 3.9Å; L472-L480 HydrophobicContact CD1-CD2 3.92Å; L473-L480 HydrophobicContact CD2-CD2 4.37Å; L473-L480 HydrophobicContact CD2-CG 4.37Å; L480-R482 HydrophobicContact CD1-CB 4.25Å; L480-R482 HydrophobicContact CD1-CG 4.3Å; L480-S494 PolarHBondContact N-O 3.47Å; L480-S494 PolarHBondContact O-N 3.47Å; L480-V549 HydrophobicContact CB-CB 4.35Å; L480-V549 HydrophobicContact CD2-CB 4.41Å; L480-V549 HydrophobicContact CD2-CG1 4.47Å |
| 481 | V | 95.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 141.2 | 171.5 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | W459 Y460 H461 V492 L493 I506 I523 I527 | W459-V481 HydrophobicContact CE3-CB 3.69Å; W459-V481 HydrophobicContact CE3-CG2 3.57Å; W459-V481 HydrophobicContact CH2-CG2 4.44Å; W459-V481 HydrophobicContact CZ3-CB 3.53Å; W459-V481 HydrophobicContact CZ3-CG1 4.27Å; W459-V481 HydrophobicContact CZ3-CG2 3.35Å; W459-V481 PolarHBondContact O-N 3.03Å; Y460-V481 CarbonylContact C-O 3.59Å; Y460-V481 WeakPolarHBondContact CA-O 3.36Å; Y460-V481 HydrophobicContact CD2-CB 4.25Å; Y460-V481 HydrophobicContact CD2-CG1 4.02Å; Y460-V481 WeakPolarHBondContact CD2-O 3.44Å; Y460-V481 HydrophobicContact CE2-CG1 4.44Å; H461-V481 PolarHBondContact N-O 3.21Å; V481-V492 WeakPolarHBondContact CA-O 3.33Å; V481-L493 HydrophobicContact CG2-CD1 3.89Å; V481-I506 HydrophobicContact CG1-CD1 3.96Å; V481-I506 HydrophobicContact CG2-CD1 4.45Å; V481-I523 HydrophobicContact CG1-CG2 4.36Å; V481-I527 HydrophobicContact CG2-CD1 3.87Å; V481-I527 HydrophobicContact CG2-CG1 3.98Å |
| 482 | R | 93 | Very high | 87 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161 | 177.3 | 60.5 | 176 | -175.9 | 75.7 | 3.7 | 110.1 | G462 I464 L480 V492 S494 | G462-R482 CarbonylContact O-C 3.56Å; G462-R482 VanDerWaalsContact O-CA 3.31Å; G462-R482 WeakPolarHBondContact O-CA 3.38Å; G462-R482 VanDerWaalsContact O-CB 3.3Å; G462-R482 WeakPolarHBondContact O-CB 3.46Å; I464-R482 HydrophobicContact CG1-CB 4Å; L480-R482 HydrophobicContact CD1-CB 4.25Å; L480-R482 HydrophobicContact CD1-CG 4.3Å; R482-V492 HydrophobicContact CG-CB 4.3Å; R482-V492 PolarHBondContact N-O 2.89Å; R482-V492 PolarHBondContact O-N 3.42Å; R482-S494 PolarHBondContact NE-OG 3.34Å |
| 483 | E | 90 | Very high | 87.4 | Confident | 39 Ų | 39 | 49 Ų | 49 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 145 | 167 | -164 | 173.2 | -167.3 | 0 | 0 | 109.9 | G462 P488 G489 Y491 | G462-E483 PolarHBondContact O-N 3.37Å; E483-P488 WeakPolarHBondContact OE1-CA 3.37Å; E483-G489 PolarHBondContact OE1-N 3.15Å; E483-Y491 HydrophobicContact CB-CD1 4.44Å; E483-Y491 HydrophobicContact CG-CE1 4.49Å |
| 484 | S | 83.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 49 Ų | 49 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 142.4 | 178.2 | -160.3 | 0 | 0 | 0 | 0 | 110.3 | E490 | S484-E490 WeakPolarHBondContact CB-O 3.43Å; S484-E490 VanDerWaalsContact CB-OE1 3.25Å; S484-E490 WeakPolarHBondContact CB-OE1 3.46Å; S484-E490 PolarHBondContact N-O 3.2Å; S484-E490 PolarHBondContact OG-OE1 2.95Å |
| 485 | H | 70.3 | Confident | 87.9 | Confident | 84 Ų | 84 | 39.5 Ų | 39.5 | 39% | 0.389 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 127.4 | 179.4 | -165.7 | 67.9 | 0 | 0 | 0 | 110 | K602 | H485-K602 PolarHBondContact CE1-NZ 2.81Å; H485-K602 VanDerWaalsContact CE1-NZ 3.35Å; H485-K602 PolarHBondContact NE2-NZ 2.88Å |
| 486 | G | 63.4 | Low | 88 | Confident | 72 Ų | 72 | 34.7 Ų | 34.7 | 74% | 0.742 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | 0.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 487 | K | 71.8 | Confident | 88.1 | Confident | 121 Ų | 121 | 31 Ų | 31 | 53% | 0.526 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -142 | 89.4 | 172.4 | -69 | -176.4 | -176.4 | 179.3 | 0 | 110.5 | G489 E490 | K487-G489 PolarHBondContact O-N 3.5Å; K487-E490 HydrophobicContact CB-CB 4Å; K487-E490 VanDerWaalsContact CD-OE2 3.26Å; K487-E490 WeakPolarHBondContact CD-OE2 3.47Å; K487-E490 IonicContact NZ-OE2 2.76Å; K487-E490 PolarHBondContact NZ-OE2 3.41Å; K487-E490 PolarHBondContact O-N 3.38Å; K487-E490 VanDerWaalsContact O-N 3.14Å |
| 488 | P | 70.9 | Confident | 88 | Confident | 121 Ų | 121 | 35.6 Ų | 35.6 | 79% | 0.786 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 134 | 175.1 | -25.5 | 34.6 | 0 | 0 | 0 | 111.3 | E483 | E483-P488 WeakPolarHBondContact OE1-CA 3.37Š|
| 489 | G | 77.1 | Confident | 87.5 | Confident | 49 Ų | 49 | 41 Ų | 41 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -3.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | E483 K487 | E483-G489 PolarHBondContact OE1-N 3.15Å; K487-G489 PolarHBondContact O-N 3.5Å |
| 490 | E | 88.9 | Confident | 87.2 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | trans | -89.2 | 123.8 | 167.9 | -172.8 | -174.6 | 90.3 | 0 | 0 | 109.3 | S484 K487 I505 | S484-E490 WeakPolarHBondContact CB-O 3.43Å; S484-E490 VanDerWaalsContact CB-OE1 3.25Å; S484-E490 WeakPolarHBondContact CB-OE1 3.46Å; S484-E490 PolarHBondContact N-O 3.2Å; S484-E490 PolarHBondContact OG-OE1 2.95Å; K487-E490 HydrophobicContact CB-CB 4Å; K487-E490 VanDerWaalsContact CD-OE2 3.26Å; K487-E490 WeakPolarHBondContact CD-OE2 3.47Å; K487-E490 IonicContact NZ-OE2 2.76Å; K487-E490 PolarHBondContact NZ-OE2 3.41Å; K487-E490 PolarHBondContact O-N 3.38Å; K487-E490 VanDerWaalsContact O-N 3.14Å; E490-I505 HydrophobicContact CG-CG2 3.84Å | ||
| 491 | Y | 93.6 | Very high | 87.1 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 148.5 | -179.3 | -61.7 | -83.8 | 0 | 0 | 0 | 111.8 | L454 Y460 E483 I506 Y513 I523 | L454-Y491 HydrophobicContact CD2-CD1 3.87Å; L454-Y491 HydrophobicContact CD2-CE1 3.47Å; L454-Y491 VanDerWaalsContact CD2-CE1 3.47Å; L454-Y491 HydrophobicContact CD2-CE2 4.47Å; Y460-Y491 HydrophobicContact CE2-CD1 4.07Å; Y460-Y491 HydrophobicContact CE2-CE1 4.05Å; E483-Y491 HydrophobicContact CB-CD1 4.44Å; E483-Y491 HydrophobicContact CG-CE1 4.49Å; Y491-I506 PolarHBondContact O-N 3.35Å; Y491-Y513 HydrophobicContact CD2-CE1 4.49Å; Y491-I523 HydrophobicContact CD1-CD1 4.15Å; Y491-I523 HydrophobicContact CD2-CD1 3.31Å; Y491-I523 HydrophobicContact CE2-CD1 3.91Å; Y491-I523 HydrophobicContact CG-CD1 3.44Å; Y491-I523 VanDerWaalsContact CG-CD1 3.44Å |
| 492 | V | 94.9 | Very high | 87 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.7 | -176.6 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | V481 R482 H503 F504 | V481-V492 WeakPolarHBondContact CA-O 3.33Å; R482-V492 HydrophobicContact CG-CB 4.3Å; R482-V492 PolarHBondContact N-O 2.89Å; R482-V492 PolarHBondContact O-N 3.42Å; V492-H503 HydrophobicContact CG1-CB 3.88Å; V492-F504 CarbonylContact C-O 3.5Å; V492-F504 WeakPolarHBondContact CA-O 3.19Å |
| 493 | L | 96.2 | Very high | 87 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.4 | 165.8 | 173.7 | 67.6 | 0 | 0 | 0 | 108.9 | F479 V481 V495 H503 F504 I506 F515 I527 I537 L545 | F479-L493 HydrophobicContact CB-CD1 4.1Å; F479-L493 HydrophobicContact CD2-CD1 3.89Å; F479-L493 HydrophobicContact CG-CD1 4.39Å; V481-L493 HydrophobicContact CG2-CD1 3.89Å; L493-V495 HydrophobicContact CD1-CG2 4.09Å; L493-V495 HydrophobicContact CD2-CG2 3.98Å; L493-V495 HydrophobicContact CG-CG2 3.7Å; L493-H503 CarbonylContact O-C 3.58Å; L493-H503 WeakPolarHBondContact O-CA 3.31Å; L493-F504 HydrophobicContact CB-CB 4.42Å; L493-F504 PolarHBondContact N-O 3.28Å; L493-F504 PolarHBondContact O-N 3.33Å; L493-I506 HydrophobicContact CB-CD1 4.48Å; L493-I506 HydrophobicContact CB-CG1 4.46Å; L493-F515 HydrophobicContact CB-CE1 3.86Å; L493-F515 HydrophobicContact CB-CZ 3.73Å; L493-F515 HydrophobicContact CD2-CE1 3.88Å; L493-F515 HydrophobicContact CD2-CE2 3.86Å; L493-F515 HydrophobicContact CD2-CZ 3.27Å; L493-F515 HydrophobicContact CG-CZ 4.12Å; L493-I527 HydrophobicContact CD1-CD1 3.99Å; L493-I527 HydrophobicContact CD2-CD1 4.31Å; L493-I537 HydrophobicContact CD2-CD1 3.73Å; L493-I537 HydrophobicContact CD2-CG1 4.09Å; L493-I537 HydrophobicContact CD2-CG2 4.46Å; L493-L545 HydrophobicContact CD1-CD2 4.37Å; L493-L545 HydrophobicContact CD2-CD1 4.35Å; L493-L545 HydrophobicContact CD2-CD2 4.01Å |
| 494 | S | 96.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.7 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 109.2 | F479 L480 R482 R502 H503 | F479-S494 CarbonylContact C-O 3.59Å; F479-S494 WeakPolarHBondContact CA-O 3.33Å; L480-S494 PolarHBondContact N-O 3.47Å; L480-S494 PolarHBondContact O-N 3.47Å; R482-S494 PolarHBondContact NE-OG 3.34Å; S494-R502 WeakPolarHBondContact CA-O 3.32Å; S494-H503 WeakPolarHBondContact CB-ND1 3.35Å; S494-H503 PolarHBondContact OG-ND1 3.25Å |
| 495 | V | 96.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 140.4 | -173.8 | -167.1 | 0 | 0 | 0 | 0 | 110.2 | D478 F479 L493 R502 F504 V543 L545 | D478-V495 CarbonylContact O-C 3.59Å; D478-V495 VanDerWaalsContact O-CA 3.27Å; D478-V495 WeakPolarHBondContact O-CA 3.19Å; D478-V495 WeakPolarHBondContact O-CG1 3.24Å; F479-V495 HydrophobicContact CB-CB 4.45Å; F479-V495 HydrophobicContact CB-CG1 4.28Å; F479-V495 HydrophobicContact CB-CG2 3.98Å; L493-V495 HydrophobicContact CD1-CG2 4.09Å; L493-V495 HydrophobicContact CD2-CG2 3.98Å; L493-V495 HydrophobicContact CG-CG2 3.7Å; V495-R502 PolarHBondContact N-O 2.95Å; V495-R502 PolarHBondContact O-N 3.16Å; V495-F504 HydrophobicContact CG2-CD2 4.3Å; V495-F504 HydrophobicContact CG2-CE2 4.29Å; V495-V543 HydrophobicContact CB-CG1 4.03Å; V495-V543 HydrophobicContact CG1-CG1 3.63Å; V495-V543 HydrophobicContact CG2-CG1 4.25Å; V495-L545 HydrophobicContact CG1-CD2 4.2Å; V495-L545 HydrophobicContact CG2-CD2 3.73Å |
| 496 | F | 95.9 | Very high | 88.9 | Confident | 12 Ų | 12 | 56 Ų | 56 | 5% | 0.053 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.5 | 169.1 | -175.1 | -132 | 0 | 0 | 0 | 110.5 | L473 Q475 G477 D478 D499 Q500 R501 | L473-F496 HydrophobicContact CB-CB 3.87Å; Q475-F496 WeakPolarHBondContact O-CD1 3.44Å; G477-F496 WeakPolarHBondContact CA-O 3.32Å; G477-F496 PolarHBondContact N-O 3.12Å; D478-F496 PolarHBondContact O-N 3.46Å; F496-D499 VanDerWaalsContact CE2-C 3.41Å; F496-Q500 WeakPolarHBondContact CD2-O 3.39Å; F496-R501 HydrophobicContact CD2-CG 3.83Å; F496-R501 HydrophobicContact CE2-CG 4.47Å |
| 497 | S | 93.5 | Very high | 90.2 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 133.2 | -179.9 | -171.3 | 0 | 0 | 0 | 0 | 112 | Q476 Q500 | Q476-S497 PolarHBondContact NE2-OG 2.68Å; Q476-S497 VanDerWaalsContact NE2-OG 3.11Å; Q476-S497 VanDerWaalsContact OE1-CA 3.3Å; S497-Q500 PolarHBondContact N-O 2.72Å; S497-Q500 WeakPolarHBondContact O-CA 3.3Å; S497-Q500 WeakPolarHBondContact O-CB 3.47Å; S497-Q500 PolarHBondContact O-N 3.12Å; S497-Q500 VanDerWaalsContact O-O 3.05Å |
| 498 | D | 88.5 | Confident | 91.1 | Very high | 98 Ų | 98 | 58 Ų | 58 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 45.9 | 178.1 | -42.4 | -54.8 | 0 | 0 | 0 | 112.3 | Q500 R502 | D498-Q500 PolarHBondContact O-N 3.45Å; D498-R502 IonicContact OD2-CZ 3.74Å; D498-R502 IonicContact OD2-NH2 3Å; D498-R502 PolarHBondContact OD2-NH2 3.05Å |
| 499 | D | 85.7 | Confident | 91.9 | Very high | 124 Ų | 124 | 54.3 Ų | 54.3 | 66% | 0.663 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 13.7 | -172.3 | -86.6 | -25 | 0 | 0 | 0 | 114.9 | F496 | F496-D499 VanDerWaalsContact CE2-C 3.41Š|
| 500 | Q | 90.8 | Very high | 92.5 | Very high | 119 Ų | 119 | 58.3 Ų | 58.3 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.7 | 178 | -60.9 | -59.5 | -47 | 0 | 0 | 111.7 | F496 S497 D498 R502 | F496-Q500 WeakPolarHBondContact CD2-O 3.39Å; S497-Q500 PolarHBondContact N-O 2.72Å; S497-Q500 WeakPolarHBondContact O-CA 3.3Å; S497-Q500 WeakPolarHBondContact O-CB 3.47Å; S497-Q500 PolarHBondContact O-N 3.12Å; S497-Q500 VanDerWaalsContact O-O 3.05Å; D498-Q500 PolarHBondContact O-N 3.45Å; Q500-R502 HydrophobicContact CB-CG 4.22Å; Q500-R502 PolarHBondContact O-N 3.34Å |
| 501 | R | 92.4 | Very high | 92.4 | Very high | 109 Ų | 109 | 60.8 Ų | 60.8 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 101.2 | 170.4 | -67.9 | 81.9 | 176.8 | 174.8 | 2.9 | 108.4 | Q470 L473 F496 | Q470-R501 HydrophobicContact CB-CB 4.45Å; Q470-R501 HydrophobicContact CB-CG 4.18Å; Q470-R501 HydrophobicContact CG-CB 3.85Å; Q470-R501 HydrophobicContact CG-CG 4.13Å; L473-R501 HydrophobicContact CD1-CG 4.48Å; F496-R501 HydrophobicContact CD2-CG 3.83Å; F496-R501 HydrophobicContact CE2-CG 4.47Å |
| 502 | R | 93.3 | Very high | 92.3 | Very high | 76 Ų | 76 | 62 Ų | 62 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 148.5 | -176.2 | -61 | 178.6 | -175.8 | -135.9 | 17.5 | 110.2 | S494 V495 D498 Q500 F504 | S494-R502 WeakPolarHBondContact CA-O 3.32Å; V495-R502 PolarHBondContact N-O 2.95Å; V495-R502 PolarHBondContact O-N 3.16Å; D498-R502 IonicContact OD2-CZ 3.74Å; D498-R502 IonicContact OD2-NH2 3Å; D498-R502 PolarHBondContact OD2-NH2 3.05Å; Q500-R502 HydrophobicContact CB-CG 4.22Å; Q500-R502 PolarHBondContact O-N 3.34Å; R502-F504 HydrophobicContact CB-CE2 3.78Å; R502-F504 HydrophobicContact CB-CZ 4.08Å |
| 503 | H | 94.2 | Very high | 92.2 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 124 | -179.2 | -53.1 | -82.7 | 0 | 0 | 0 | 109.6 | R466 Q470 V492 L493 S494 | R466-H503 PolarHBondContact NE-CD2 2.91Å; R466-H503 PolarHBondContact NE-NE2 3.36Å; R466-H503 PolarHBondContact NH2-CD2 3.2Å; R466-H503 VanDerWaalsContact NH2-CD2 3.3Å; Q470-H503 PolarHBondContact NE2-NE2 3.25Å; V492-H503 HydrophobicContact CG1-CB 3.88Å; L493-H503 CarbonylContact O-C 3.58Å; L493-H503 WeakPolarHBondContact O-CA 3.31Å; S494-H503 WeakPolarHBondContact CB-ND1 3.35Å; S494-H503 PolarHBondContact OG-ND1 3.25Å |
| 504 | F | 94.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 66.6 Ų | 66.6 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.9 | -176.8 | -58.8 | -87.4 | 0 | 0 | 0 | 109.2 | V492 L493 V495 R502 I506 F515 I537 T538 V543 | V492-F504 CarbonylContact C-O 3.5Å; V492-F504 WeakPolarHBondContact CA-O 3.19Å; L493-F504 HydrophobicContact CB-CB 4.42Å; L493-F504 PolarHBondContact N-O 3.28Å; L493-F504 PolarHBondContact O-N 3.33Å; V495-F504 HydrophobicContact CG2-CD2 4.3Å; V495-F504 HydrophobicContact CG2-CE2 4.29Å; R502-F504 HydrophobicContact CB-CE2 3.78Å; R502-F504 HydrophobicContact CB-CZ 4.08Å; F504-I506 PolarHBondContact O-N 2.83Å; F504-F515 HydrophobicContact CB-CD1 4.04Å; F504-F515 HydrophobicContact CB-CE1 3.9Å; F504-I537 HydrophobicContact CB-CG2 4.2Å; F504-I537 HydrophobicContact CD1-CG2 3.74Å; F504-I537 HydrophobicContact CD2-CG2 4.08Å; F504-I537 HydrophobicContact CE1-CG2 4.06Å; F504-I537 HydrophobicContact CE2-CG2 4.38Å; F504-I537 HydrophobicContact CG-CG2 3.74Å; F504-I537 HydrophobicContact CZ-CG2 4.37Å; F504-T538 HydrophobicContact CD1-CG2 4.31Å; F504-T538 HydrophobicContact CE1-CG2 4.29Å; F504-V543 HydrophobicContact CE2-CB 4.33Å; F504-V543 HydrophobicContact CE2-CG1 4.17Å; F504-V543 HydrophobicContact CE2-CG2 4.24Å; F504-V543 HydrophobicContact CZ-CB 4.1Å; F504-V543 HydrophobicContact CZ-CG1 4.45Å; F504-V543 HydrophobicContact CZ-CG2 3.83Å |
| 505 | I | 93.8 | Very high | 91.8 | Very high | 92 Ų | 92 | 67.1 Ų | 67.1 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 128.2 | 173.3 | -61.1 | 173.7 | 0 | 0 | 0 | 107.9 | E490 Q507 | E490-I505 HydrophobicContact CG-CG2 3.84Å; I505-Q507 PolarHBondContact O-N 2.93Å |
| 506 | I | 94.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.4 | 172.7 | -58.9 | 171.4 | 0 | 0 | 0 | 106.8 | V481 Y491 L493 F504 Y513 F515 I523 L526 | V481-I506 HydrophobicContact CG1-CD1 3.96Å; V481-I506 HydrophobicContact CG2-CD1 4.45Å; Y491-I506 PolarHBondContact O-N 3.35Å; L493-I506 HydrophobicContact CB-CD1 4.48Å; L493-I506 HydrophobicContact CB-CG1 4.46Å; F504-I506 PolarHBondContact O-N 2.83Å; I506-Y513 HydrophobicContact CG2-CD1 3.92Å; I506-Y513 HydrophobicContact CG2-CG 4.43Å; I506-F515 HydrophobicContact CB-CE1 4.45Å; I506-F515 HydrophobicContact CD1-CZ 4.4Å; I506-F515 HydrophobicContact CG1-CE1 3.55Å; I506-F515 HydrophobicContact CG1-CZ 3.81Å; I506-I523 HydrophobicContact CD1-CD1 4.16Å; I506-I523 HydrophobicContact CD1-CG1 4.5Å; I506-I523 HydrophobicContact CD1-CG2 3.94Å; I506-I523 HydrophobicContact CG2-CD1 4.3Å; I506-I523 HydrophobicContact CG2-CG1 4.24Å; I506-L526 HydrophobicContact CG2-CD2 3.73Å |
| 507 | Q | 91.9 | Very high | 90.3 | Very high | 111 Ų | 111 | 74.1 Ų | 74.1 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 139.5 | -178.7 | -61.2 | 179.5 | -1.8 | 0 | 0 | 109.8 | I505 Y513 R514 | I505-Q507 PolarHBondContact O-N 2.93Å; Q507-Y513 CarbonylContact O-C 3.57Å; Q507-Y513 VanDerWaalsContact O-CA 3.28Å; Q507-Y513 WeakPolarHBondContact O-CA 3.5Å; Q507-R514 HydrophobicContact CB-CG 4.33Å; Q507-R514 PolarHBondContact N-O 3.44Å; Q507-R514 PolarHBondContact O-N 3.43Å |
| 508 | F | 90.9 | Very high | 89.9 | Confident | 125 Ų | 125 | 77.8 Ų | 77.8 | 55% | 0.548 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 110.9 | 170.8 | -173.7 | -112 | 0 | 0 | 0 | 109.1 | Q512 Y513 | F508-Q512 WeakPolarHBondContact CA-O 3.43Å; F508-Y513 HydrophobicContact CB-CD1 4.24Å; F508-Y513 HydrophobicContact CB-CE1 4.16Å; F508-Y513 AromaticContact CD2-CD1 3.72Å; F508-Y513 HydrophobicContact CD2-CD1 3.72Å; F508-Y513 HydrophobicContact CD2-CD2 4.04Å; F508-Y513 AromaticContact CD2-CE1 3.51Å; F508-Y513 HydrophobicContact CD2-CE1 3.51Å; F508-Y513 AromaticContact CD2-CE2 3.83Å; F508-Y513 HydrophobicContact CD2-CE2 3.83Å; F508-Y513 AromaticContact CD2-CG 3.99Å; F508-Y513 HydrophobicContact CD2-CG 3.99Å; F508-Y513 AromaticContact CD2-CZ 3.56Å; F508-Y513 HydrophobicContact CE2-CD2 4.21Å; F508-Y513 HydrophobicContact CE2-CE1 4.2Å; F508-Y513 AromaticContact CE2-CE2 3.76Å; F508-Y513 HydrophobicContact CE2-CE2 3.76Å; F508-Y513 AromaticContact CE2-CZ 3.77Å; F508-Y513 HydrophobicContact CG-CD1 4.41Å; F508-Y513 HydrophobicContact CG-CE1 4.09Å |
| 509 | A | 87.9 | Confident | 90 | Very high | 42 Ų | 42 | 74 Ų | 74 | 35% | 0.347 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 142.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.1 | S511 Q512 R514 | A509-S511 PolarHBondContact O-N 3.27Å; A509-Q512 PolarHBondContact N-O 2.93Å; A509-Q512 PolarHBondContact O-N 3.1Å; A509-R514 PolarHBondContact O-NH2 2.82Å |
| 510 | D | 87.8 | Confident | 90.3 | Very high | 133 Ų | 133 | 69.7 Ų | 69.7 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.4 | -175.4 | -45.8 | -46.7 | 0 | 0 | 0 | 113.1 | Q512 R514 | D510-Q512 PolarHBondContact O-N 3.28Å; D510-R514 IonicContact OD2-NH2 2.62Å; D510-R514 PolarHBondContact OD2-NH2 3.34Å |
| 511 | S | 87.9 | Confident | 90.2 | Very high | 97 Ų | 97 | 67.7 Ų | 67.7 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 24.5 | -175.2 | -56.8 | 0 | 0 | 0 | 0 | 114.4 | A509 | A509-S511 PolarHBondContact O-N 3.27Š|
| 512 | Q | 92.4 | Very high | 90.2 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 145.5 | 179.9 | -67.2 | -177 | -8 | 0 | 0 | 112.2 | F508 A509 D510 G519 F520 | F508-Q512 WeakPolarHBondContact CA-O 3.43Å; A509-Q512 PolarHBondContact N-O 2.93Å; A509-Q512 PolarHBondContact O-N 3.1Å; D510-Q512 PolarHBondContact O-N 3.28Å; Q512-G519 VanDerWaalsContact OE1-CA 3.31Å; Q512-G519 PolarHBondContact OE1-O 3.46Å; Q512-F520 CarbonylContact C-O 3.49Å; Q512-F520 WeakPolarHBondContact CA-O 3.19Å |
| 513 | Y | 92.1 | Very high | 90.2 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134 | 174.1 | -62 | -83.5 | 0 | 0 | 0 | 111.2 | Y491 I506 Q507 F508 G519 F520 P521 I523 | Y491-Y513 HydrophobicContact CD2-CE1 4.49Å; I506-Y513 HydrophobicContact CG2-CD1 3.92Å; I506-Y513 HydrophobicContact CG2-CG 4.43Å; Q507-Y513 CarbonylContact O-C 3.57Å; Q507-Y513 VanDerWaalsContact O-CA 3.28Å; Q507-Y513 WeakPolarHBondContact O-CA 3.5Å; F508-Y513 HydrophobicContact CB-CD1 4.24Å; F508-Y513 HydrophobicContact CB-CE1 4.16Å; F508-Y513 AromaticContact CD2-CD1 3.72Å; F508-Y513 HydrophobicContact CD2-CD1 3.72Å; F508-Y513 HydrophobicContact CD2-CD2 4.04Å; F508-Y513 AromaticContact CD2-CE1 3.51Å; F508-Y513 HydrophobicContact CD2-CE1 3.51Å; F508-Y513 AromaticContact CD2-CE2 3.83Å; F508-Y513 HydrophobicContact CD2-CE2 3.83Å; F508-Y513 AromaticContact CD2-CG 3.99Å; F508-Y513 HydrophobicContact CD2-CG 3.99Å; F508-Y513 AromaticContact CD2-CZ 3.56Å; F508-Y513 HydrophobicContact CE2-CD2 4.21Å; F508-Y513 HydrophobicContact CE2-CE1 4.2Å; F508-Y513 AromaticContact CE2-CE2 3.76Å; F508-Y513 HydrophobicContact CE2-CE2 3.76Å; F508-Y513 AromaticContact CE2-CZ 3.77Å; F508-Y513 HydrophobicContact CG-CD1 4.41Å; F508-Y513 HydrophobicContact CG-CE1 4.09Å; Y513-G519 WeakPolarHBondContact O-CA 3.42Å; Y513-F520 PolarHBondContact N-O 3.31Å; Y513-F520 PolarHBondContact O-N 2.99Å; Y513-P521 WeakPolarHBondContact CE2-O 3.25Å; Y513-I523 HydrophobicContact CD1-CD1 3.8Å; Y513-I523 HydrophobicContact CD1-CG1 3.46Å; Y513-I523 VanDerWaalsContact CD1-CG1 3.46Å; Y513-I523 HydrophobicContact CD2-CG1 4.04Å; Y513-I523 HydrophobicContact CE1-CD1 3.76Å; Y513-I523 HydrophobicContact CE1-CG1 3.77Å; Y513-I523 HydrophobicContact CE2-CG1 4.32Å; Y513-I523 HydrophobicContact CG-CD1 4.43Å; Y513-I523 HydrophobicContact CG-CG1 3.6Å |
| 514 | R | 92.9 | Very high | 90.3 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 162.5 | 179.9 | 64.8 | -170.5 | 79.4 | -178.6 | 16.2 | 113.8 | Q507 A509 D510 | Q507-R514 HydrophobicContact CB-CG 4.33Å; Q507-R514 PolarHBondContact N-O 3.44Å; Q507-R514 PolarHBondContact O-N 3.43Å; A509-R514 PolarHBondContact O-NH2 2.82Å; D510-R514 IonicContact OD2-NH2 2.62Å; D510-R514 PolarHBondContact OD2-NH2 3.34Å |
| 515 | F | 90.3 | Very high | 90.2 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -100 | -102.2 | 161.2 | -58.5 | -70.1 | 0 | 0 | 0 | 108.9 | L493 F504 I506 L526 I527 H530 I537 | L493-F515 HydrophobicContact CB-CE1 3.86Å; L493-F515 HydrophobicContact CB-CZ 3.73Å; L493-F515 HydrophobicContact CD2-CE1 3.88Å; L493-F515 HydrophobicContact CD2-CE2 3.86Å; L493-F515 HydrophobicContact CD2-CZ 3.27Å; L493-F515 HydrophobicContact CG-CZ 4.12Å; F504-F515 HydrophobicContact CB-CD1 4.04Å; F504-F515 HydrophobicContact CB-CE1 3.9Å; I506-F515 HydrophobicContact CB-CE1 4.45Å; I506-F515 HydrophobicContact CD1-CZ 4.4Å; I506-F515 HydrophobicContact CG1-CE1 3.55Å; I506-F515 HydrophobicContact CG1-CZ 3.81Å; F515-L526 HydrophobicContact CD2-CD1 3.99Å; F515-L526 HydrophobicContact CD2-CD2 4.14Å; F515-L526 HydrophobicContact CD2-CG 4.27Å; F515-L526 HydrophobicContact CE2-CD1 4.1Å; F515-L526 HydrophobicContact CE2-CD2 3.77Å; F515-L526 HydrophobicContact CE2-CG 3.89Å; F515-L526 HydrophobicContact CZ-CD2 4.11Å; F515-I527 HydrophobicContact CE2-CD1 4.36Å; F515-I527 HydrophobicContact CZ-CD1 4.19Å; F515-H530 AromaticContact CD2-CD2 3.86Å; F515-H530 AromaticContact CD2-NE2 3.63Å; F515-I537 HydrophobicContact CB-CG2 4.02Å; F515-I537 WeakPolarHBondContact CB-O 3.28Å; F515-I537 HydrophobicContact CD1-CG2 3.82Å; F515-I537 HydrophobicContact CD2-CD1 4.09Å; F515-I537 HydrophobicContact CD2-CG2 3.89Å; F515-I537 HydrophobicContact CE1-CG2 4.24Å; F515-I537 HydrophobicContact CE2-CD1 3.91Å; F515-I537 HydrophobicContact CE2-CG2 4.31Å; F515-I537 HydrophobicContact CG-CG2 3.64Å; F515-I537 HydrophobicContact CZ-CG2 4.49Å |
| 516 | E | 82.3 | Confident | 90.2 | Very high | 105 Ų | 105 | 57.2 Ų | 57.2 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -106.6 | 116.7 | 166 | -75.4 | 177.5 | -178 | 0 | 0 | 109.7 | T538 K539 | E516-T538 HydrophobicContact CB-CG2 4.46Å; E516-T538 HydrophobicContact CG-CG2 3.84Å; E516-T538 VanDerWaalsContact OE2-CA 3.31Å; E516-T538 WeakPolarHBondContact OE2-CA 3.47Å; E516-T538 VanDerWaalsContact OE2-CB 3.24Å; E516-T538 WeakPolarHBondContact OE2-CB 3.44Å; E516-K539 PolarHBondContact OE2-N 3.09Å |
| 517 | G | 79.1 | Confident | 90.2 | Very high | 55 Ų | 55 | 57 Ų | 57 | 57% | 0.567 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 115.3 | -129.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 518 | T | 84.9 | Confident | 90.2 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | trans | -64.4 | 134.9 | -172.8 | 46.1 | 0 | 0 | 0 | 0 | 112 | F520 | T518-F520 WeakPolarHBondContact O-CE2 3.09Š| ||
| 519 | G | 89.9 | Confident | 90.2 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 19% | 0.186 | 30% | 0.295 | C | S | . | . | trans | -94.4 | 151.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q512 Y513 | Q512-G519 VanDerWaalsContact OE1-CA 3.31Å; Q512-G519 PolarHBondContact OE1-O 3.46Å; Y513-G519 WeakPolarHBondContact O-CA 3.42Å | ||
| 520 | F | 92 | Very high | 90.4 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -128.4 | 147 | 179.4 | -60.1 | -92.9 | 0 | 0 | 0 | 110.4 | Q512 Y513 T518 T522 Q525 L526 H529 | Q512-F520 CarbonylContact C-O 3.49Å; Q512-F520 WeakPolarHBondContact CA-O 3.19Å; Y513-F520 PolarHBondContact N-O 3.31Å; Y513-F520 PolarHBondContact O-N 2.99Å; T518-F520 WeakPolarHBondContact O-CE2 3.09Å; F520-T522 VanDerWaalsContact C-N 3.26Å; F520-T522 PolarHBondContact O-N 2.98Å; F520-Q525 HydrophobicContact CB-CB 4.19Å; F520-Q525 HydrophobicContact CD1-CB 4.3Å; F520-L526 HydrophobicContact CB-CB 4.11Å; F520-L526 HydrophobicContact CD2-CB 3.85Å; F520-L526 HydrophobicContact CD2-CD1 3.49Å; F520-L526 VanDerWaalsContact CD2-CD1 3.49Å; F520-L526 HydrophobicContact CD2-CG 4.28Å; F520-L526 HydrophobicContact CE2-CD1 3.74Å; F520-L526 HydrophobicContact CG-CB 4.17Å; F520-H529 HydrophobicContact CE1-CB 3.71Å; F520-H529 AromaticContact CE1-CG 3.79Å; F520-H529 HydrophobicContact CE2-CB 4.16Å; F520-H529 HydrophobicContact CZ-CB 3.49Å; F520-H529 VanDerWaalsContact CZ-CB 3.49Å; F520-H529 AromaticContact CZ-CD2 3.47Å; F520-H529 VanDerWaalsContact CZ-CD2 3.47Å; F520-H529 WeakPolarHBondContact CZ-CD2 3.31Å; F520-H529 AromaticContact CZ-CG 3.27Å; F520-H529 AromaticContact CZ-ND1 3.75Å |
| 521 | P | 90.4 | Very high | 90.6 | Very high | 76 Ų | 76 | 46 Ų | 46 | 49% | 0.494 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -70 | -21.3 | -178 | 28.8 | -35.3 | 0 | 0 | 0 | 113.2 | Y513 | Y513-P521 WeakPolarHBondContact CE2-O 3.25Š|
| 522 | T | 92.3 | Very high | 90.7 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 31% | 0.313 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -134.4 | 149.5 | 177.2 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | F520 Q525 L526 | F520-T522 VanDerWaalsContact C-N 3.26Å; F520-T522 PolarHBondContact O-N 2.98Å; T522-Q525 PolarHBondContact O-N 3.29Å; T522-Q525 VanDerWaalsContact OG1-CG 3.31Å; T522-Q525 WeakPolarHBondContact OG1-CG 3.41Å; T522-Q525 PolarHBondContact OG1-N 2.9Å; T522-L526 PolarHBondContact O-N 3.4Å; T522-L526 VanDerWaalsContact O-N 3.1Å |
| 523 | I | 93.6 | Very high | 90.7 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | 174.6 | -66.5 | 178.9 | 0 | 0 | 0 | 112.1 | L454 W459 V481 Y491 I506 Y513 Q525 L526 I527 | L454-I523 HydrophobicContact CD1-CB 4.14Å; L454-I523 HydrophobicContact CD1-CG2 3.84Å; L454-I523 HydrophobicContact CD2-CB 4.37Å; L454-I523 HydrophobicContact CD2-CD1 3.9Å; W459-I523 HydrophobicContact CH2-CG2 4.18Å; W459-I523 HydrophobicContact CZ3-CG2 4.35Å; V481-I523 HydrophobicContact CG1-CG2 4.36Å; Y491-I523 HydrophobicContact CD1-CD1 4.15Å; Y491-I523 HydrophobicContact CD2-CD1 3.31Å; Y491-I523 HydrophobicContact CE2-CD1 3.91Å; Y491-I523 HydrophobicContact CG-CD1 3.44Å; Y491-I523 VanDerWaalsContact CG-CD1 3.44Å; I506-I523 HydrophobicContact CD1-CD1 4.16Å; I506-I523 HydrophobicContact CD1-CG1 4.5Å; I506-I523 HydrophobicContact CD1-CG2 3.94Å; I506-I523 HydrophobicContact CG2-CD1 4.3Å; I506-I523 HydrophobicContact CG2-CG1 4.24Å; Y513-I523 HydrophobicContact CD1-CD1 3.8Å; Y513-I523 HydrophobicContact CD1-CG1 3.46Å; Y513-I523 VanDerWaalsContact CD1-CG1 3.46Å; Y513-I523 HydrophobicContact CD2-CG1 4.04Å; Y513-I523 HydrophobicContact CE1-CD1 3.76Å; Y513-I523 HydrophobicContact CE1-CG1 3.77Å; Y513-I523 HydrophobicContact CE2-CG1 4.32Å; Y513-I523 HydrophobicContact CG-CD1 4.43Å; Y513-I523 HydrophobicContact CG-CG1 3.6Å; I523-Q525 VanDerWaalsContact C-N 3.27Å; I523-Q525 PolarHBondContact O-N 3.39Å; I523-L526 WeakPolarHBondContact O-CB 3.42Å; I523-L526 PolarHBondContact O-N 2.94Å; I523-L526 VanDerWaalsContact O-N 3.16Å; I523-I527 HydrophobicContact CG2-CG1 4.03Å; I523-I527 WeakPolarHBondContact O-CG1 3.47Å; I523-I527 PolarHBondContact O-N 3.08Å |
| 524 | P | 95.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.2 | -42.4 | 173.6 | -29.8 | 36.8 | 0 | 0 | 0 | 113.7 | L454 Q457 W459 I527 E528 | L454-P524 HydrophobicContact CB-CG 4.46Å; L454-P524 HydrophobicContact CD1-CG 4.48Å; Q457-P524 HydrophobicContact CG-CB 4.41Å; Q457-P524 HydrophobicContact CG-CG 3.92Å; W459-P524 HydrophobicContact CH2-CG 4.48Å; W459-P524 HydrophobicContact CZ2-CB 4.4Å; P524-I527 PolarHBondContact O-N 2.91Å; P524-E528 VanDerWaalsContact O-CB 3.22Å; P524-E528 WeakPolarHBondContact O-CB 3.26Å; P524-E528 PolarHBondContact O-N 3.11Å |
| 525 | Q | 92 | Very high | 90.4 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 177.5 | -71 | 176.8 | 3.8 | 0 | 0 | 112.7 | F520 T522 I523 H529 | F520-Q525 HydrophobicContact CB-CB 4.19Å; F520-Q525 HydrophobicContact CD1-CB 4.3Å; T522-Q525 PolarHBondContact O-N 3.29Å; T522-Q525 VanDerWaalsContact OG1-CG 3.31Å; T522-Q525 WeakPolarHBondContact OG1-CG 3.41Å; T522-Q525 PolarHBondContact OG1-N 2.9Å; I523-Q525 VanDerWaalsContact C-N 3.27Å; I523-Q525 PolarHBondContact O-N 3.39Å; Q525-H529 WeakPolarHBondContact O-CB 3.28Å; Q525-H529 PolarHBondContact O-N 3.49Å |
| 526 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 173.1 | 171.4 | 66.6 | 0 | 0 | 0 | 111.3 | I506 F515 F520 T522 I523 H529 H530 | I506-L526 HydrophobicContact CG2-CD2 3.73Å; F515-L526 HydrophobicContact CD2-CD1 3.99Å; F515-L526 HydrophobicContact CD2-CD2 4.14Å; F515-L526 HydrophobicContact CD2-CG 4.27Å; F515-L526 HydrophobicContact CE2-CD1 4.1Å; F515-L526 HydrophobicContact CE2-CD2 3.77Å; F515-L526 HydrophobicContact CE2-CG 3.89Å; F515-L526 HydrophobicContact CZ-CD2 4.11Å; F520-L526 HydrophobicContact CB-CB 4.11Å; F520-L526 HydrophobicContact CD2-CB 3.85Å; F520-L526 HydrophobicContact CD2-CD1 3.49Å; F520-L526 VanDerWaalsContact CD2-CD1 3.49Å; F520-L526 HydrophobicContact CD2-CG 4.28Å; F520-L526 HydrophobicContact CE2-CD1 3.74Å; F520-L526 HydrophobicContact CG-CB 4.17Å; T522-L526 PolarHBondContact O-N 3.4Å; T522-L526 VanDerWaalsContact O-N 3.1Å; I523-L526 WeakPolarHBondContact O-CB 3.42Å; I523-L526 PolarHBondContact O-N 2.94Å; I523-L526 VanDerWaalsContact O-N 3.16Å; L526-H529 PolarHBondContact O-N 3.19Å; L526-H530 PolarHBondContact O-CD2 3.36Å; L526-H530 PolarHBondContact O-N 3.13Å |
| 527 | I | 94.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | -179.3 | -64.1 | -55.8 | 0 | 0 | 0 | 110.6 | W459 F479 V481 L493 F515 I523 P524 H529 H530 F531 L545 | W459-I527 HydrophobicContact CD2-CG2 4.47Å; W459-I527 HydrophobicContact CH2-CB 3.92Å; W459-I527 HydrophobicContact CH2-CG1 3.71Å; W459-I527 HydrophobicContact CH2-CG2 4.19Å; W459-I527 HydrophobicContact CZ2-CB 4Å; W459-I527 HydrophobicContact CZ2-CG1 4.3Å; W459-I527 HydrophobicContact CZ2-CG2 3.96Å; W459-I527 HydrophobicContact CZ3-CB 4.5Å; W459-I527 HydrophobicContact CZ3-CG1 3.95Å; F479-I527 HydrophobicContact CE2-CG2 3.65Å; F479-I527 HydrophobicContact CZ-CG2 4.21Å; V481-I527 HydrophobicContact CG2-CD1 3.87Å; V481-I527 HydrophobicContact CG2-CG1 3.98Å; L493-I527 HydrophobicContact CD1-CD1 3.99Å; L493-I527 HydrophobicContact CD2-CD1 4.31Å; F515-I527 HydrophobicContact CE2-CD1 4.36Å; F515-I527 HydrophobicContact CZ-CD1 4.19Å; I523-I527 HydrophobicContact CG2-CG1 4.03Å; I523-I527 WeakPolarHBondContact O-CG1 3.47Å; I523-I527 PolarHBondContact O-N 3.08Å; P524-I527 PolarHBondContact O-N 2.91Å; I527-H529 VanDerWaalsContact C-N 3.3Å; I527-H529 PolarHBondContact O-N 2.74Å; I527-H530 PolarHBondContact O-N 2.95Å; I527-F531 WeakPolarHBondContact O-CB 3.49Å; I527-F531 PolarHBondContact O-N 3.36Å; I527-L545 HydrophobicContact CD1-CD1 4.49Å; I527-L545 HydrophobicContact CG2-CD1 4.35Å |
| 528 | E | 91.9 | Very high | 91.4 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 177.1 | -172 | 62.3 | -142.4 | 0 | 0 | 111.5 | P524 F531 S532 | P524-E528 VanDerWaalsContact O-CB 3.22Å; P524-E528 WeakPolarHBondContact O-CB 3.26Å; P524-E528 PolarHBondContact O-N 3.11Å; E528-F531 PolarHBondContact O-N 3.27Å; E528-S532 VanDerWaalsContact O-CB 3.28Å; E528-S532 WeakPolarHBondContact O-CB 3.34Å; E528-S532 PolarHBondContact O-N 3.4Å; E528-S532 PolarHBondContact O-OG 2.91Å |
| 529 | H | 90.9 | Very high | 91.4 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -53.3 | 176.5 | -179.5 | 78.6 | 0 | 0 | 0 | 111.9 | F520 Q525 L526 I527 F531 S532 S533 Q535 | F520-H529 HydrophobicContact CE1-CB 3.71Å; F520-H529 AromaticContact CE1-CG 3.79Å; F520-H529 HydrophobicContact CE2-CB 4.16Å; F520-H529 HydrophobicContact CZ-CB 3.49Å; F520-H529 VanDerWaalsContact CZ-CB 3.49Å; F520-H529 AromaticContact CZ-CD2 3.47Å; F520-H529 VanDerWaalsContact CZ-CD2 3.47Å; F520-H529 WeakPolarHBondContact CZ-CD2 3.31Å; F520-H529 AromaticContact CZ-CG 3.27Å; F520-H529 AromaticContact CZ-ND1 3.75Å; Q525-H529 WeakPolarHBondContact O-CB 3.28Å; Q525-H529 PolarHBondContact O-N 3.49Å; L526-H529 PolarHBondContact O-N 3.19Å; I527-H529 VanDerWaalsContact C-N 3.3Å; I527-H529 PolarHBondContact O-N 2.74Å; H529-F531 VanDerWaalsContact C-N 3.31Å; H529-F531 PolarHBondContact O-N 3.13Å; H529-S532 PolarHBondContact O-OG 3.43Å; H529-S533 VanDerWaalsContact O-CB 3.22Å; H529-S533 WeakPolarHBondContact O-CB 3.24Å; H529-S533 PolarHBondContact O-N 3.1Å; H529-S533 PolarHBondContact O-OG 3.47Å; H529-Q535 PolarHBondContact CD2-OE1 2.97Å; H529-Q535 PolarHBondContact NE2-OE1 3.36Å |
| 530 | H | 91.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.3 | -34 | 179.9 | -79.5 | -79.5 | 0 | 0 | 0 | 112.7 | F515 L526 I527 K534 Q535 I537 L545 | F515-H530 AromaticContact CD2-CD2 3.86Å; F515-H530 AromaticContact CD2-NE2 3.63Å; L526-H530 PolarHBondContact O-CD2 3.36Å; L526-H530 PolarHBondContact O-N 3.13Å; I527-H530 PolarHBondContact O-N 2.95Å; H530-K534 WeakPolarHBondContact O-CA 3.48Å; H530-K534 PolarHBondContact O-N 3.02Å; H530-Q535 PolarHBondContact CE1-OE1 2.95Å; H530-Q535 VanDerWaalsContact CE1-OE1 3.26Å; H530-Q535 PolarHBondContact ND1-O 3.47Å; H530-I537 HydrophobicContact CB-CD1 3.98Å; H530-L545 HydrophobicContact CB-CD1 4.02Å |
| 531 | F | 92.3 | Very high | 90.9 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.3 | -43.7 | 179.8 | -179.1 | -110 | 0 | 0 | 0 | 113.1 | F479 I527 E528 H529 K534 L545 L546 | F479-F531 AromaticContact CE1-CD2 3.58Å; F479-F531 HydrophobicContact CE1-CD2 3.58Å; F479-F531 AromaticContact CE1-CE2 3.79Å; F479-F531 HydrophobicContact CE1-CE2 3.79Å; F479-F531 AromaticContact CZ-CD2 3.83Å; F479-F531 HydrophobicContact CZ-CD2 3.83Å; F479-F531 HydrophobicContact CZ-CE2 4.25Å; F479-F531 HydrophobicContact CZ-CG 4.35Å; I527-F531 WeakPolarHBondContact O-CB 3.49Å; I527-F531 PolarHBondContact O-N 3.36Å; E528-F531 PolarHBondContact O-N 3.27Å; H529-F531 VanDerWaalsContact C-N 3.31Å; H529-F531 PolarHBondContact O-N 3.13Å; F531-K534 WeakPolarHBondContact O-CD 3.41Å; F531-K534 VanDerWaalsContact O-CE 3.28Å; F531-K534 WeakPolarHBondContact O-CE 2.99Å; F531-K534 PolarHBondContact O-NZ 3.37Å; F531-L545 HydrophobicContact CB-CB 4.43Å; F531-L545 HydrophobicContact CD2-CB 4.01Å; F531-L546 VanDerWaalsContact CE2-O 3.27Å; F531-L546 WeakPolarHBondContact CE2-O 3.44Å |
| 532 | S | 90.8 | Very high | 90.8 | Very high | 77 Ų | 77 | 55 Ų | 55 | 54% | 0.538 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -78.8 | -44.8 | -178.4 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | E528 H529 K534 | E528-S532 VanDerWaalsContact O-CB 3.28Å; E528-S532 WeakPolarHBondContact O-CB 3.34Å; E528-S532 PolarHBondContact O-N 3.4Å; E528-S532 PolarHBondContact O-OG 2.91Å; H529-S532 PolarHBondContact O-OG 3.43Å; S532-K534 VanDerWaalsContact C-N 3.29Å; S532-K534 PolarHBondContact O-N 2.98Å |
| 533 | S | 90.7 | Very high | 90.9 | Very high | 60 Ų | 60 | 52.6 Ų | 52.6 | 42% | 0.42 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -77.6 | -13.2 | -178.9 | 70 | 0 | 0 | 0 | 0 | 114 | H529 Q535 | H529-S533 VanDerWaalsContact O-CB 3.22Å; H529-S533 WeakPolarHBondContact O-CB 3.24Å; H529-S533 PolarHBondContact O-N 3.1Å; H529-S533 PolarHBondContact O-OG 3.47Å; S533-Q535 PolarHBondContact O-N 2.99Å; S533-Q535 VanDerWaalsContact OG-CB 3.3Å; S533-Q535 WeakPolarHBondContact OG-CB 3.35Å; S533-Q535 PolarHBondContact OG-N 3.19Å |
| 534 | K | 90.7 | Very high | 90.8 | Very high | 93 Ų | 93 | 54.2 Ų | 54.2 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | trans | 56.7 | 24.2 | -170.7 | -54.6 | -57.3 | -179.4 | -160.6 | 0 | 113.6 | H530 F531 S532 V536 V544 L545 | H530-K534 WeakPolarHBondContact O-CA 3.48Å; H530-K534 PolarHBondContact O-N 3.02Å; F531-K534 WeakPolarHBondContact O-CD 3.41Å; F531-K534 VanDerWaalsContact O-CE 3.28Å; F531-K534 WeakPolarHBondContact O-CE 2.99Å; F531-K534 PolarHBondContact O-NZ 3.37Å; S532-K534 VanDerWaalsContact C-N 3.29Å; S532-K534 PolarHBondContact O-N 2.98Å; K534-V536 PolarHBondContact O-N 3.49Å; K534-V544 HydrophobicContact CB-CG1 3.93Å; K534-V544 HydrophobicContact CD-CG1 3.89Å; K534-V544 HydrophobicContact CG-CG1 4.48Å; K534-L545 PolarHBondContact NZ-O 2.91Å | ||
| 535 | Q | 89.8 | Confident | 90.7 | Very high | 80 Ų | 80 | 54 Ų | 54 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | trans | -65.6 | 133.3 | 173.7 | -172.8 | -176.7 | 49.4 | 0 | 0 | 110.8 | H529 H530 S533 | H529-Q535 PolarHBondContact CD2-OE1 2.97Å; H529-Q535 PolarHBondContact NE2-OE1 3.36Å; H530-Q535 PolarHBondContact CE1-OE1 2.95Å; H530-Q535 VanDerWaalsContact CE1-OE1 3.26Å; H530-Q535 PolarHBondContact ND1-O 3.47Å; S533-Q535 PolarHBondContact O-N 2.99Å; S533-Q535 VanDerWaalsContact OG-CB 3.3Å; S533-Q535 WeakPolarHBondContact OG-CB 3.35Å; S533-Q535 PolarHBondContact OG-N 3.19Å | ||
| 536 | V | 91.7 | Very high | 90.7 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | trans | -61.8 | 142.6 | 177.2 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | K534 V543 V544 | K534-V536 PolarHBondContact O-N 3.49Å; V536-V543 CarbonylContact C-O 3.51Å; V536-V543 WeakPolarHBondContact CA-O 3.42Å; V536-V544 HydrophobicContact CG1-CG2 3.83Å | ||
| 537 | I | 91.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -64.2 | -44.2 | -179.5 | -60 | -55.6 | 0 | 0 | 0 | 111.6 | L493 F504 F515 H530 V543 L545 | L493-I537 HydrophobicContact CD2-CD1 3.73Å; L493-I537 HydrophobicContact CD2-CG1 4.09Å; L493-I537 HydrophobicContact CD2-CG2 4.46Å; F504-I537 HydrophobicContact CB-CG2 4.2Å; F504-I537 HydrophobicContact CD1-CG2 3.74Å; F504-I537 HydrophobicContact CD2-CG2 4.08Å; F504-I537 HydrophobicContact CE1-CG2 4.06Å; F504-I537 HydrophobicContact CE2-CG2 4.38Å; F504-I537 HydrophobicContact CG-CG2 3.74Å; F504-I537 HydrophobicContact CZ-CG2 4.37Å; F515-I537 HydrophobicContact CB-CG2 4.02Å; F515-I537 WeakPolarHBondContact CB-O 3.28Å; F515-I537 HydrophobicContact CD1-CG2 3.82Å; F515-I537 HydrophobicContact CD2-CD1 4.09Å; F515-I537 HydrophobicContact CD2-CG2 3.89Å; F515-I537 HydrophobicContact CE1-CG2 4.24Å; F515-I537 HydrophobicContact CE2-CD1 3.91Å; F515-I537 HydrophobicContact CE2-CG2 4.31Å; F515-I537 HydrophobicContact CG-CG2 3.64Å; F515-I537 HydrophobicContact CZ-CG2 4.49Å; H530-I537 HydrophobicContact CB-CD1 3.98Å; I537-V543 HydrophobicContact CG1-CB 4.4Å; I537-V543 HydrophobicContact CG1-CG1 4.16Å; I537-V543 PolarHBondContact N-O 2.95Å; I537-L545 HydrophobicContact CD1-CD1 4.11Å; I537-L545 HydrophobicContact CD1-CD2 4.07Å; I537-L545 HydrophobicContact CD1-CG 3.96Å; I537-L545 HydrophobicContact CG1-CD2 4.27Å |
| 538 | T | 88.7 | Confident | 90.6 | Very high | 21 Ų | 21 | 59.1 Ų | 59.1 | 13% | 0.129 | 31% | 0.313 | C | S | . | . | trans | -140.2 | 147.1 | 169.5 | 66.6 | 0 | 0 | 0 | 0 | 109.9 | F504 E516 K540 S541 G542 | F504-T538 HydrophobicContact CD1-CG2 4.31Å; F504-T538 HydrophobicContact CE1-CG2 4.29Å; E516-T538 HydrophobicContact CB-CG2 4.46Å; E516-T538 HydrophobicContact CG-CG2 3.84Å; E516-T538 VanDerWaalsContact OE2-CA 3.31Å; E516-T538 WeakPolarHBondContact OE2-CA 3.47Å; E516-T538 VanDerWaalsContact OE2-CB 3.24Å; E516-T538 WeakPolarHBondContact OE2-CB 3.44Å; T538-K540 PolarHBondContact O-N 3.12Å; T538-S541 PolarHBondContact O-N 2.86Å; T538-S541 VanDerWaalsContact O-N 3.15Å; T538-S541 PolarHBondContact O-OG 3.35Å; T538-S541 WeakPolarHBondContact OG1-CB 3.42Å; T538-S541 PolarHBondContact OG1-N 2.93Å; T538-S541 PolarHBondContact OG1-OG 3.32Å; T538-G542 PolarHBondContact O-N 3.21Å; T538-G542 VanDerWaalsContact O-N 3.09Å | ||
| 539 | K | 85.1 | Confident | 90.7 | Very high | 194 Ų | 194 | 57 Ų | 57 | 84% | 0.843 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -36.9 | -179.3 | -70.7 | -178.1 | -179.9 | 177.6 | 0 | 111.9 | E516 | E516-K539 PolarHBondContact OE2-N 3.09Š|
| 540 | K | 85.4 | Confident | 90.7 | Very high | 201 Ų | 201 | 58.1 Ų | 58.1 | 87% | 0.874 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -33.8 | 179.7 | -173.7 | 179 | 179.6 | -179.1 | 0 | 112.9 | T538 | T538-K540 PolarHBondContact O-N 3.12Š|
| 541 | S | 86.8 | Confident | 90.4 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 11% | 0.112 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -30.2 | -176.3 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | T538 V543 | T538-S541 PolarHBondContact O-N 2.86Å; T538-S541 VanDerWaalsContact O-N 3.15Å; T538-S541 PolarHBondContact O-OG 3.35Å; T538-S541 WeakPolarHBondContact OG1-CB 3.42Å; T538-S541 PolarHBondContact OG1-N 2.93Å; T538-S541 PolarHBondContact OG1-OG 3.32Å; S541-V543 PolarHBondContact O-N 3.05Å; S541-V543 PolarHBondContact OG-N 3.49Å |
| 542 | G | 88.1 | Confident | 89.8 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | trans | 66.2 | 9.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T538 | T538-G542 PolarHBondContact O-N 3.21Å; T538-G542 VanDerWaalsContact O-N 3.09Å | ||
| 543 | V | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -74.3 | 132.6 | -172.7 | 173 | 0 | 0 | 0 | 0 | 111.3 | V495 F504 V536 I537 S541 | V495-V543 HydrophobicContact CB-CG1 4.03Å; V495-V543 HydrophobicContact CG1-CG1 3.63Å; V495-V543 HydrophobicContact CG2-CG1 4.25Å; F504-V543 HydrophobicContact CE2-CB 4.33Å; F504-V543 HydrophobicContact CE2-CG1 4.17Å; F504-V543 HydrophobicContact CE2-CG2 4.24Å; F504-V543 HydrophobicContact CZ-CB 4.1Å; F504-V543 HydrophobicContact CZ-CG1 4.45Å; F504-V543 HydrophobicContact CZ-CG2 3.83Å; V536-V543 CarbonylContact C-O 3.51Å; V536-V543 WeakPolarHBondContact CA-O 3.42Å; I537-V543 HydrophobicContact CG1-CB 4.4Å; I537-V543 HydrophobicContact CG1-CG1 4.16Å; I537-V543 PolarHBondContact N-O 2.95Å; S541-V543 PolarHBondContact O-N 3.05Å; S541-V543 PolarHBondContact OG-N 3.49Å | ||
| 544 | V | 92.1 | Very high | 89 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 24% | 0.242 | 35% | 0.347 | C | S | . | . | trans | -120.4 | 143.1 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | K534 V536 L546 | K534-V544 HydrophobicContact CB-CG1 3.93Å; K534-V544 HydrophobicContact CD-CG1 3.89Å; K534-V544 HydrophobicContact CG-CG1 4.48Å; V536-V544 HydrophobicContact CG1-CG2 3.83Å; V544-L546 HydrophobicContact CG1-CD2 4.05Å | ||
| 545 | L | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -84.7 | 124.1 | 177.1 | -53.5 | -174.9 | 0 | 0 | 0 | 111.2 | F479 L493 V495 I527 H530 F531 K534 I537 | F479-L545 HydrophobicContact CB-CD2 3.86Å; F479-L545 HydrophobicContact CD1-CB 3.84Å; F479-L545 HydrophobicContact CD1-CD2 4.16Å; F479-L545 HydrophobicContact CD1-CG 4.4Å; F479-L545 HydrophobicContact CD2-CD1 4.28Å; F479-L545 HydrophobicContact CD2-CD2 4.46Å; F479-L545 HydrophobicContact CE1-CB 3.89Å; F479-L545 HydrophobicContact CE2-CD1 4.32Å; F479-L545 HydrophobicContact CG-CB 4.37Å; F479-L545 HydrophobicContact CG-CD1 4.41Å; F479-L545 HydrophobicContact CG-CD2 3.91Å; F479-L545 HydrophobicContact CG-CG 4.45Å; F479-L545 HydrophobicContact CZ-CB 4.47Å; F479-L545 HydrophobicContact CZ-CD1 4.46Å; L493-L545 HydrophobicContact CD1-CD2 4.37Å; L493-L545 HydrophobicContact CD2-CD1 4.35Å; L493-L545 HydrophobicContact CD2-CD2 4.01Å; V495-L545 HydrophobicContact CG1-CD2 4.2Å; V495-L545 HydrophobicContact CG2-CD2 3.73Å; I527-L545 HydrophobicContact CD1-CD1 4.49Å; I527-L545 HydrophobicContact CG2-CD1 4.35Å; H530-L545 HydrophobicContact CB-CD1 4.02Å; F531-L545 HydrophobicContact CB-CB 4.43Å; F531-L545 HydrophobicContact CD2-CB 4.01Å; K534-L545 PolarHBondContact NZ-O 2.91Å; I537-L545 HydrophobicContact CD1-CD1 4.11Å; I537-L545 HydrophobicContact CD1-CD2 4.07Å; I537-L545 HydrophobicContact CD1-CG 3.96Å; I537-L545 HydrophobicContact CG1-CD2 4.27Å | ||
| 546 | L | 92.1 | Very high | 88.8 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | trans | -118.2 | -44.9 | -176.1 | -56.4 | -179.2 | 0 | 0 | 0 | 113 | G477 F531 V544 | G477-L546 PolarHBondContact O-N 3.47Å; F531-L546 VanDerWaalsContact CE2-O 3.27Å; F531-L546 WeakPolarHBondContact CE2-O 3.44Å; V544-L546 HydrophobicContact CG1-CD2 4.05Å | ||
| 547 | N | 93.6 | Very high | 88.7 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 111.6 | -170.2 | -52.4 | -58.9 | 0 | 0 | 0 | 111 | Q476 G477 D478 F479 V549 | Q476-N547 PolarHBondContact O-ND2 2.85Å; G477-N547 PolarHBondContact O-N 2.81Å; D478-N547 CarbonylContact C-O 3.45Å; D478-N547 VanDerWaalsContact CA-O 3.29Å; D478-N547 WeakPolarHBondContact CA-O 3.43Å; D478-N547 WeakPolarHBondContact OD1-CB 3.41Å; F479-N547 VanDerWaalsContact CD1-C 3.48Å; F479-N547 WeakPolarHBondContact CD1-O 3.4Å; F479-N547 VanDerWaalsContact CE1-C 3.45Å; F479-N547 PolarHBondContact N-O 3.45Å; N547-V549 PolarHBondContact O-N 3.32Å |
| 548 | P | 94.1 | Very high | 88.6 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 125.3 | 173.9 | 26.4 | -31 | 0 | 0 | 0 | 110.2 | W459 F479 V550 | W459-P548 HydrophobicContact CB-CB 4.01Å; W459-P548 HydrophobicContact CG-CB 4.41Å; F479-P548 HydrophobicContact CE1-CB 3.89Å; F479-P548 HydrophobicContact CE1-CG 4.45Å; F479-P548 VanDerWaalsContact CE1-N 3.29Å; F479-P548 HydrophobicContact CE2-CB 4.21Å; F479-P548 HydrophobicContact CZ-CB 3.62Å; F479-P548 HydrophobicContact CZ-CG 4.4Å; P548-V550 PolarHBondContact O-N 3.4Å |
| 549 | V | 93.8 | Very high | 88.7 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 12% | 0.121 | 33% | 0.333 | C | S | . | . | trans | -81.1 | 109.2 | 173.3 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | W459 H461 L472 L473 D478 F479 L480 N547 | W459-V549 WeakPolarHBondContact CA-O 3.46Å; H461-V549 PolarHBondContact NE2-O 3.09Å; L472-V549 HydrophobicContact CB-CG1 4.21Å; L473-V549 HydrophobicContact CD2-CG2 4.11Å; D478-V549 HydrophobicContact CB-CG2 3.83Å; F479-V549 PolarHBondContact O-N 2.92Å; L480-V549 HydrophobicContact CB-CB 4.35Å; L480-V549 HydrophobicContact CD2-CB 4.41Å; L480-V549 HydrophobicContact CD2-CG1 4.47Å; N547-V549 PolarHBondContact O-N 3.32Å | ||
| 550 | V | 89.9 | Confident | 88.9 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | trans | -83.4 | 143.5 | -176.6 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | E458 P548 | E458-V550 HydrophobicContact CB-CB 4.34Å; E458-V550 HydrophobicContact CB-CG1 4.02Å; E458-V550 WeakPolarHBondContact O-CA 3.29Å; P548-V550 PolarHBondContact O-N 3.4Å | ||
| 551 | K | 85 | Confident | 89.2 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | trans | -62.5 | 138 | 171.4 | -75.1 | 176.9 | -70.8 | -156.6 | 0 | 111.4 | A455 Q457 E458 Y460 K553 I556 Q629 | A455-K551 PolarHBondContact O-NZ 3.1Å; Q457-K551 VanDerWaalsContact O-CE 3.24Å; Q457-K551 WeakPolarHBondContact O-CE 3.43Å; Q457-K551 PolarHBondContact O-NZ 3.48Å; E458-K551 PolarHBondContact O-N 3.22Å; Y460-K551 WeakPolarHBondContact O-CD 3.46Å; Y460-K551 WeakPolarHBondContact O-CE 3.49Å; Y460-K551 PolarHBondContact O-NZ 3.24Å; K551-K553 PolarHBondContact O-N 2.88Å; K551-I556 HydrophobicContact CB-CG1 4.28Å; K551-Q629 VanDerWaalsContact NZ-NE2 3.18Å | ||
| 552 | D | 80.8 | Confident | 89.5 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | trans | -75.1 | 91 | 168.7 | -173 | -9.1 | 0 | 0 | 0 | 110.3 | K554 W555 I556 | D552-K554 PolarHBondContact O-N 2.98Å; D552-K554 VanDerWaalsContact OD1-CB 3.25Å; D552-K554 WeakPolarHBondContact OD1-CB 3.36Å; D552-K554 PolarHBondContact OD1-N 3.28Å; D552-K554 VanDerWaalsContact OD1-N 3.16Å; D552-W555 PolarHBondContact O-N 2.98Å; D552-W555 VanDerWaalsContact O-N 3.08Å; D552-I556 WeakPolarHBondContact O-CG1 3.38Å; D552-I556 PolarHBondContact O-N 3.15Å | ||
| 553 | K | 79.6 | Confident | 89.9 | Confident | 148 Ų | 148 | 55.6 Ų | 55.6 | 64% | 0.643 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -19.9 | -177.5 | -66 | -176.3 | -177.3 | 174.6 | 0 | 113.8 | E458 K551 W555 | E458-K553 VanDerWaalsContact OE1-CE 3.26Å; E458-K553 WeakPolarHBondContact OE1-CE 3.4Å; E458-K553 IonicContact OE1-NZ 3.33Å; E458-K553 PolarHBondContact OE1-NZ 3.39Å; K551-K553 PolarHBondContact O-N 2.88Å; K553-W555 VanDerWaalsContact C-N 3.28Å; K553-W555 PolarHBondContact O-N 2.91Å |
| 554 | K | 84.4 | Confident | 90 | Very high | 153 Ų | 153 | 58.7 Ų | 58.7 | 67% | 0.665 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -35.7 | 178 | -177.2 | -179.5 | 172.5 | -175.1 | 0 | 112.3 | D552 | D552-K554 PolarHBondContact O-N 2.98Å; D552-K554 VanDerWaalsContact OD1-CB 3.25Å; D552-K554 WeakPolarHBondContact OD1-CB 3.36Å; D552-K554 PolarHBondContact OD1-N 3.28Å; D552-K554 VanDerWaalsContact OD1-N 3.16Å |
| 555 | W | 88.7 | Confident | 90 | Very high | 33 Ų | 33 | 58.9 Ų | 58.9 | 13% | 0.125 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -12.6 | -170.8 | -57.5 | 108.5 | 0 | 0 | 0 | 113.9 | D552 K553 K613 L623 G625 V626 | D552-W555 PolarHBondContact O-N 2.98Å; D552-W555 VanDerWaalsContact O-N 3.08Å; K553-W555 VanDerWaalsContact C-N 3.28Å; K553-W555 PolarHBondContact O-N 2.91Å; W555-K613 HydrophobicContact CB-CD 4.46Å; W555-K613 HydrophobicContact CD2-CD 4.44Å; W555-K613 HydrophobicContact CD2-CG 3.83Å; W555-K613 HydrophobicContact CE3-CG 4.41Å; W555-K613 HydrophobicContact CG-CD 4Å; W555-K613 HydrophobicContact CG-CG 3.91Å; W555-K613 HydrophobicContact CZ2-CB 4.25Å; W555-K613 HydrophobicContact CZ2-CG 4.34Å; W555-K613 VanDerWaalsContact CZ2-O 3.29Å; W555-K613 WeakPolarHBondContact CZ2-O 3.44Å; W555-L623 HydrophobicContact CD2-CD2 4.42Å; W555-L623 HydrophobicContact CE3-CD2 3.87Å; W555-L623 HydrophobicContact CE3-CG 4.13Å; W555-L623 HydrophobicContact CZ3-CB 4.22Å; W555-L623 HydrophobicContact CZ3-CD2 4.09Å; W555-L623 HydrophobicContact CZ3-CG 4.15Å; W555-G625 CarbonylContact O-C 3.59Å; W555-G625 WeakPolarHBondContact O-CA 3.44Å; W555-V626 PolarHBondContact O-N 3.04Å |
| 556 | I | 87.9 | Confident | 90 | Very high | 41 Ų | 41 | 64.3 Ų | 64.3 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -82.5 | 122.9 | 179.3 | -59.2 | -56 | 0 | 0 | 0 | 109.4 | K551 D552 Q629 | K551-I556 HydrophobicContact CB-CG1 4.28Å; D552-I556 WeakPolarHBondContact O-CG1 3.38Å; D552-I556 PolarHBondContact O-N 3.15Å; I556-Q629 HydrophobicContact CG2-CG 4.26Å |
| 557 | L | 89.8 | Confident | 90.1 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | trans | -110.7 | 146.2 | 171.8 | -67.7 | 173.8 | 0 | 0 | 0 | 109.3 | V562 L581 I624 V626 C627 V636 | L557-V562 HydrophobicContact CD1-CG2 4.42Å; L557-L581 HydrophobicContact CD1-CD2 4.2Å; L557-I624 HydrophobicContact CD1-CG2 4.31Å; L557-V626 PolarHBondContact N-O 2.95Å; L557-C627 WeakPolarHBondContact O-CA 3.38Å; L557-V636 HydrophobicContact CD1-CB 4.08Å; L557-V636 HydrophobicContact CD1-CG1 4.36Å; L557-V636 HydrophobicContact CD1-CG2 4Å | ||
| 558 | N | 89.3 | Confident | 89.9 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | trans | -80.1 | 151.6 | 167.3 | -60.7 | -49.9 | 0 | 0 | 0 | 109.3 | E560 D561 | N558-E560 WeakPolarHBondContact CB-OE2 3.22Å; N558-E560 PolarHBondContact O-N 3.01Å; N558-D561 WeakPolarHBondContact CB-OD2 3.41Å; N558-D561 PolarHBondContact N-OD2 3.21Å; N558-D561 WeakPolarHBondContact O-CB 3.29Å; N558-D561 PolarHBondContact O-N 3.16Å | ||
| 559 | H | 90.8 | Very high | 89.5 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -62 | -29.3 | 176.4 | -73.7 | 69.6 | 0 | 0 | 0 | 111.7 | D561 V562 C627 R630 P632 Y634 | H559-D561 PolarHBondContact O-N 3.09Å; H559-V562 PolarHBondContact O-N 3.2Å; H559-V562 VanDerWaalsContact O-O 3.09Å; H559-C627 VanDerWaalsContact CE1-CB 3.43Å; H559-C627 WeakPolarHBondContact CE1-CB 3.41Å; H559-C627 PolarHBondContact CE1-O 3.1Å; H559-R630 HydrophobicContact CB-CG 4.41Å; H559-R630 VanDerWaalsContact CE1-CG 3.46Å; H559-R630 WeakPolarHBondContact CE1-CG 3.49Å; H559-R630 PolarHBondContact CE1-O 3.34Å; H559-R630 WeakPolarHBondContact ND1-CG 3.35Å; H559-R630 PolarHBondContact NE2-O 2.98Å; H559-P632 PolarHBondContact NE2-O 2.94Å; H559-Y634 AromaticContact CD2-CD2 3.78Å; H559-Y634 AromaticContact CD2-CE2 3.44Å; H559-Y634 VanDerWaalsContact CD2-CE2 3.44Å; H559-Y634 WeakPolarHBondContact CD2-CE2 3.4Å; H559-Y634 AromaticContact CD2-CZ 3.94Å |
| 560 | E | 90.1 | Very high | 89.1 | Confident | 98 Ų | 98 | 71.5 Ų | 71.5 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -64.2 | -26.6 | 174.5 | -64.3 | 67.1 | -145.3 | 0 | 0 | 111.9 | N558 V562 Q582 R630 | N558-E560 WeakPolarHBondContact CB-OE2 3.22Å; N558-E560 PolarHBondContact O-N 3.01Å; E560-V562 PolarHBondContact O-N 2.97Å; E560-Q582 VanDerWaalsContact O-CD 3.24Å; E560-Q582 WeakPolarHBondContact O-CG 3.46Å; E560-Q582 PolarHBondContact O-NE2 3.36Å; E560-R630 IonicContact OE1-CZ 3.63Å; E560-R630 IonicContact OE1-NH1 2.78Å; E560-R630 PolarHBondContact OE1-NH1 3.07Å; E560-R630 IonicContact OE1-NH2 3.54Å; E560-R630 PolarHBondContact OE1-NH2 3.37Å |
| 561 | D | 90.5 | Very high | 88.4 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 31% | 0.305 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -73.7 | -11.9 | 179.3 | -59.1 | -41.5 | 0 | 0 | 0 | 112.4 | N558 H559 L581 Q582 | N558-D561 WeakPolarHBondContact CB-OD2 3.41Å; N558-D561 PolarHBondContact N-OD2 3.21Å; N558-D561 WeakPolarHBondContact O-CB 3.29Å; N558-D561 PolarHBondContact O-N 3.16Å; H559-D561 PolarHBondContact O-N 3.09Å; D561-L581 CarbonylContact O-C 3.59Å; D561-L581 WeakPolarHBondContact O-CA 3.47Å; D561-Q582 PolarHBondContact O-N 3.49Å |
| 562 | V | 93.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.8 | -172.4 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | L557 H559 E560 L581 V590 V636 | L557-V562 HydrophobicContact CD1-CG2 4.42Å; H559-V562 PolarHBondContact O-N 3.2Å; H559-V562 VanDerWaalsContact O-O 3.09Å; E560-V562 PolarHBondContact O-N 2.97Å; V562-L581 HydrophobicContact CG2-CD2 4.08Å; V562-V590 HydrophobicContact CG1-CG2 3.72Å; V562-V636 HydrophobicContact CG2-CG2 4.02Å |
| 563 | V | 94.9 | Very high | 87.8 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.6 | 171.1 | -178 | 0 | 0 | 0 | 0 | 108.7 | G579 T580 Q582 | V563-G579 CarbonylContact O-C 3.53Å; V563-G579 WeakPolarHBondContact O-CA 3.4Å; V563-T580 PolarHBondContact N-O 3.29Å; V563-T580 PolarHBondContact O-N 3.39Å; V563-Q582 HydrophobicContact CG2-CG 3.76Å |
| 564 | L | 94.9 | Very high | 88 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 142.6 | 173.7 | -63.7 | -176.2 | 0 | 0 | 0 | 111 | F577 V590 Y634 | L564-F577 HydrophobicContact CD2-CB 4.15Å; L564-V590 HydrophobicContact CD2-CB 3.75Å; L564-V590 HydrophobicContact CD2-CG1 3.67Å; L564-V590 HydrophobicContact CD2-CG2 3.93Å; L564-Y634 HydrophobicContact CD1-CE1 4.45Å; L564-Y634 WeakPolarHBondContact CD1-OH 3.49Å; L564-Y634 HydrophobicContact CD2-CE2 4.42Å |
| 565 | G | 93.5 | Very high | 88.3 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | -139.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K578 | G565-K578 VanDerWaalsContact CA-O 3.31Å; G565-K578 WeakPolarHBondContact CA-O 3.49Å; G565-K578 PolarHBondContact N-O 3.35Å |
| 566 | E | 93.3 | Very high | 88.5 | Confident | 115 Ų | 115 | 56.1 Ų | 56.1 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 150.3 | -176.2 | 68.1 | -165.9 | 145.7 | 0 | 0 | 113.5 | L568 F577 K578 | E566-L568 HydrophobicContact CG-CD2 4.47Å; E566-L568 PolarHBondContact O-N 2.82Å; E566-F577 CarbonylContact O-C 3.54Å; E566-F577 WeakPolarHBondContact O-CA 3.48Å; E566-K578 HydrophobicContact CG-CB 3.92Å; E566-K578 HydrophobicContact CG-CD 3.97Å; E566-K578 PolarHBondContact O-N 3Å; E566-K578 WeakPolarHBondContact OE1-CD 3.37Å; E566-K578 IonicContact OE1-NZ 2.76Å; E566-K578 PolarHBondContact OE1-NZ 2.97Å |
| 567 | L | 94.1 | Very high | 88.8 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123.3 | 173.5 | -178.7 | 71 | 0 | 0 | 0 | 110 | G569 E575 F577 | L567-G569 WeakPolarHBondContact CD1-O 2.8Å; L567-E575 HydrophobicContact CD1-CB 3.61Å; L567-E575 HydrophobicContact CD1-CG 3.78Å; L567-F577 HydrophobicContact CB-CD1 4.25Å; L567-F577 HydrophobicContact CB-CE1 4.16Å; L567-F577 HydrophobicContact CD1-CD1 4.16Å; L567-F577 HydrophobicContact CD1-CE1 3.84Å; L567-F577 HydrophobicContact CD1-CE2 4.48Å; L567-F577 HydrophobicContact CD1-CZ 4.02Å |
| 568 | L | 88.1 | Confident | 89.1 | Confident | 88 Ų | 88 | 58 Ų | 58 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -33.3 | 176.3 | -63.3 | 175.1 | 0 | 0 | 0 | 112.5 | E566 V576 K578 L639 | E566-L568 HydrophobicContact CG-CD2 4.47Å; E566-L568 PolarHBondContact O-N 2.82Å; L568-V576 WeakPolarHBondContact CA-O 3.33Å; L568-V576 HydrophobicContact CB-CG1 4.36Å; L568-V576 WeakPolarHBondContact CB-O 3.4Å; L568-V576 HydrophobicContact CD1-CG1 4.45Å; L568-V576 PolarHBondContact N-O 3.46Å; L568-K578 HydrophobicContact CD1-CB 3.96Å; L568-K578 HydrophobicContact CD2-CB 4.04Å; L568-K578 HydrophobicContact CG-CB 3.96Å; L568-L639 HydrophobicContact CD1-CD1 3.58Å |
| 569 | G | 85.9 | Confident | 89.4 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -179 | 178.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | L567 V576 | L567-G569 WeakPolarHBondContact CD1-O 2.8Å; G569-V576 PolarHBondContact N-O 3.31Å; G569-V576 PolarHBondContact O-N 3.38Å |
| 570 | K | 84.8 | Confident | 89.6 | Confident | 152 Ų | 152 | 56.6 Ų | 56.6 | 66% | 0.661 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.5 | 176 | -66.6 | -174.4 | 177.4 | -177.3 | 0 | 109.2 | E575 | K570-E575 HydrophobicContact CD-CG 4.43Å; K570-E575 HydrophobicContact CG-CG 4Å; K570-E575 IonicContact NZ-OE1 3.46Å |
| 571 | G | 75.4 | Confident | 89.8 | Confident | 34 Ų | 34 | 53 Ų | 53 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -173.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F573 G574 | G571-F573 PolarHBondContact O-N 3.07Å; G571-G574 PolarHBondContact N-O 3.29Å; G571-G574 PolarHBondContact O-N 2.99Å |
| 572 | N | 74.3 | Confident | 89.7 | Confident | 73 Ų | 73 | 55 Ų | 55 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.4 | -176.8 | -67.1 | -32.2 | 0 | 0 | 0 | 114.3 | ||
| 573 | F | 78.8 | Confident | 89.2 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -13.8 | -175.8 | -52.3 | -72.1 | 0 | 0 | 0 | 113.8 | G571 C593 K594 L597 L601 R604 F605 | G571-F573 PolarHBondContact O-N 3.07Å; F573-C593 WeakPolarHBondContact O-CA 3.33Å; F573-K594 PolarHBondContact O-N 3.17Å; F573-K594 VanDerWaalsContact O-N 3.08Å; F573-L597 HydrophobicContact CB-CD1 4.3Å; F573-L597 WeakPolarHBondContact O-CD1 3.39Å; F573-L601 HydrophobicContact CD1-CB 4.15Å; F573-L601 WeakPolarHBondContact CD1-O 3.3Å; F573-L601 HydrophobicContact CE1-CB 4.14Å; F573-L601 HydrophobicContact CE1-CD2 4.28Å; F573-L601 WeakPolarHBondContact CE1-O 3.28Å; F573-R604 HydrophobicContact CE1-CB 3.62Å; F573-R604 HydrophobicContact CZ-CB 3.67Å; F573-F605 HydrophobicContact CB-CB 4.41Å; F573-F605 HydrophobicContact CB-CD2 3.68Å; F573-F605 HydrophobicContact CB-CE2 4.42Å; F573-F605 HydrophobicContact CB-CG 4.43Å; F573-F605 HydrophobicContact CD1-CB 3.95Å; F573-F605 HydrophobicContact CD2-CD2 4.21Å; F573-F605 HydrophobicContact CE1-CB 4.42Å; F573-F605 HydrophobicContact CG-CB 4.06Å; F573-F605 AromaticContact CG-CD2 3.92Å; F573-F605 HydrophobicContact CG-CD2 3.92Å; F573-F605 HydrophobicContact CG-CG 4.48Å |
| 574 | G | 84.1 | Confident | 88.7 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.6 | -155.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G571 T592 | G571-G574 PolarHBondContact N-O 3.29Å; G571-G574 PolarHBondContact O-N 2.99Å; G574-T592 WeakPolarHBondContact CA-O 3.43Å |
| 575 | E | 91.4 | Very high | 88.5 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 147.7 | -173.2 | -74.3 | 152.5 | 165.7 | 0 | 0 | 110.4 | L567 K570 F577 T592 | L567-E575 HydrophobicContact CD1-CB 3.61Å; L567-E575 HydrophobicContact CD1-CG 3.78Å; K570-E575 HydrophobicContact CD-CG 4.43Å; K570-E575 HydrophobicContact CG-CG 4Å; K570-E575 IonicContact NZ-OE1 3.46Å; E575-F577 HydrophobicContact CB-CD2 4.12Å; E575-F577 HydrophobicContact CB-CE2 3.35Å; E575-F577 HydrophobicContact CB-CZ 3.68Å; E575-F577 HydrophobicContact CG-CE2 4.43Å; E575-F577 HydrophobicContact CG-CZ 4.34Å; E575-T592 PolarHBondContact N-OG1 3.49Å; E575-T592 PolarHBondContact O-N 2.97Å; E575-T592 PolarHBondContact O-OG1 3.28Å; E575-T592 VanDerWaalsContact O-OG1 3.14Å |
| 576 | V | 92.7 | Very high | 88.4 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.9 | 172 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | L568 G569 V590 K591 | L568-V576 WeakPolarHBondContact CA-O 3.33Å; L568-V576 HydrophobicContact CB-CG1 4.36Å; L568-V576 WeakPolarHBondContact CB-O 3.4Å; L568-V576 HydrophobicContact CD1-CG1 4.45Å; L568-V576 PolarHBondContact N-O 3.46Å; G569-V576 PolarHBondContact N-O 3.31Å; G569-V576 PolarHBondContact O-N 3.38Å; V576-V590 CarbonylContact C-O 3.58Å; V576-V590 WeakPolarHBondContact CA-O 3.42Å; V576-K591 HydrophobicContact CG2-CG 4.09Å |
| 577 | F | 94.9 | Very high | 88.5 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 152.3 | 177.4 | -62.8 | -89.8 | 0 | 0 | 0 | 110.6 | L564 E566 L567 E575 A589 V590 T592 | L564-F577 HydrophobicContact CD2-CB 4.15Å; E566-F577 CarbonylContact O-C 3.54Å; E566-F577 WeakPolarHBondContact O-CA 3.48Å; L567-F577 HydrophobicContact CB-CD1 4.25Å; L567-F577 HydrophobicContact CB-CE1 4.16Å; L567-F577 HydrophobicContact CD1-CD1 4.16Å; L567-F577 HydrophobicContact CD1-CE1 3.84Å; L567-F577 HydrophobicContact CD1-CE2 4.48Å; L567-F577 HydrophobicContact CD1-CZ 4.02Å; E575-F577 HydrophobicContact CB-CD2 4.12Å; E575-F577 HydrophobicContact CB-CE2 3.35Å; E575-F577 HydrophobicContact CB-CZ 3.68Å; E575-F577 HydrophobicContact CG-CE2 4.43Å; E575-F577 HydrophobicContact CG-CZ 4.34Å; F577-A589 CarbonylContact O-C 3.41Å; F577-A589 WeakPolarHBondContact O-CA 3.04Å; F577-V590 PolarHBondContact N-O 3.42Å; F577-V590 PolarHBondContact O-N 3.03Å; F577-T592 HydrophobicContact CD2-CG2 3.69Å; F577-T592 HydrophobicContact CE2-CG2 3.71Å |
| 578 | K | 95.3 | Very high | 88.6 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 34% | 0.335 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 141.1 | 156.8 | -170 | 173.8 | 175.1 | 178.3 | 0 | 107.2 | G565 E566 L568 V588 L639 | G565-K578 VanDerWaalsContact CA-O 3.31Å; G565-K578 WeakPolarHBondContact CA-O 3.49Å; G565-K578 PolarHBondContact N-O 3.35Å; E566-K578 HydrophobicContact CG-CB 3.92Å; E566-K578 HydrophobicContact CG-CD 3.97Å; E566-K578 PolarHBondContact O-N 3Å; E566-K578 WeakPolarHBondContact OE1-CD 3.37Å; E566-K578 IonicContact OE1-NZ 2.76Å; E566-K578 PolarHBondContact OE1-NZ 2.97Å; L568-K578 HydrophobicContact CD1-CB 3.96Å; L568-K578 HydrophobicContact CD2-CB 4.04Å; L568-K578 HydrophobicContact CG-CB 3.96Å; K578-V588 CarbonylContact C-O 3.51Å; K578-L639 HydrophobicContact CD-CD2 4.26Å; K578-L639 HydrophobicContact CG-CD2 3.93Å |
| 579 | G | 95.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 174.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V563 P587 V588 | V563-G579 CarbonylContact O-C 3.53Å; V563-G579 WeakPolarHBondContact O-CA 3.4Å; G579-P587 WeakPolarHBondContact O-CA 3.41Å; G579-V588 VanDerWaalsContact C-CG2 3.44Å; G579-V588 PolarHBondContact N-O 3.17Å; G579-V588 PolarHBondContact O-N 2.94Å |
| 580 | T | 96 | Very high | 89.4 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 32% | 0.319 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 130.1 | 173.5 | -58 | 0 | 0 | 0 | 0 | 109.3 | V563 K585 V586 | V563-T580 PolarHBondContact N-O 3.29Å; V563-T580 PolarHBondContact O-N 3.39Å; T580-K585 HydrophobicContact CG2-CB 4.36Å; T580-K585 HydrophobicContact CG2-CD 4.29Å; T580-V586 WeakPolarHBondContact CA-O 3.23Å |
| 581 | L | 93.8 | Very high | 89.8 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 130.9 | 171.6 | -66.6 | 176.6 | 0 | 0 | 0 | 110.1 | L557 D561 V562 R583 K585 V586 V588 I624 V636 | L557-L581 HydrophobicContact CD1-CD2 4.2Å; D561-L581 CarbonylContact O-C 3.59Å; D561-L581 WeakPolarHBondContact O-CA 3.47Å; V562-L581 HydrophobicContact CG2-CD2 4.08Å; L581-R583 PolarHBondContact O-N 2.87Å; L581-K585 WeakPolarHBondContact O-CA 3.3Å; L581-K585 PolarHBondContact O-N 3.17Å; L581-V586 HydrophobicContact CD1-CB 4.3Å; L581-V586 PolarHBondContact N-O 3.3Å; L581-V588 HydrophobicContact CD1-CG1 4.07Å; L581-V588 HydrophobicContact CD2-CG1 4.39Å; L581-V588 HydrophobicContact CG-CG1 3.77Å; L581-I624 HydrophobicContact CD1-CG2 3.84Å; L581-V636 HydrophobicContact CD2-CG1 4.4Å |
| 582 | Q | 88.9 | Confident | 90.6 | Very high | 100 Ų | 100 | 52.7 Ų | 52.7 | 47% | 0.467 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -41.8 | -175.1 | -75.1 | -144.9 | 35.8 | 0 | 0 | 113.3 | E560 D561 V563 | E560-Q582 VanDerWaalsContact O-CD 3.24Å; E560-Q582 WeakPolarHBondContact O-CG 3.46Å; E560-Q582 PolarHBondContact O-NE2 3.36Å; D561-Q582 PolarHBondContact O-N 3.49Å; V563-Q582 HydrophobicContact CG2-CG 3.76Å |
| 583 | R | 83.5 | Confident | 91.2 | Very high | 225 Ų | 225 | 49.4 Ų | 49.4 | 85% | 0.849 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -49.5 | -172.9 | -167.9 | -173.2 | 174.6 | 160.7 | -1.3 | 112.6 | L581 | L581-R583 PolarHBondContact O-N 2.87Š|
| 584 | D | 84.4 | Confident | 91.2 | Very high | 109 Ų | 109 | 53.5 Ų | 53.5 | 58% | 0.583 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | 4.5 | -168.5 | -53.8 | -37.1 | 0 | 0 | 0 | 113.1 | V586 | D584-V586 HydrophobicContact CB-CG2 3.89Å; D584-V586 PolarHBondContact O-N 3.34Å; D584-V586 VanDerWaalsContact O-N 3.09Å |
| 585 | K | 89.9 | Confident | 90.8 | Very high | 146 Ų | 146 | 58.8 Ų | 58.8 | 64% | 0.635 | 28% | 0.283 | S | S | * | . | trans | 54.3 | 25.7 | -177.5 | -54.8 | -58.2 | -178.2 | -170.3 | 0 | 114.5 | T580 L581 | T580-K585 HydrophobicContact CG2-CB 4.36Å; T580-K585 HydrophobicContact CG2-CD 4.29Å; L581-K585 WeakPolarHBondContact O-CA 3.3Å; L581-K585 PolarHBondContact O-N 3.17Å | ||
| 586 | V | 92 | Very high | 90.1 | Very high | 62 Ų | 62 | 62.5 Ų | 62.5 | 38% | 0.376 | 30% | 0.304 | S | S | . | . | trans | -73.3 | 129 | 178.3 | 175 | 0 | 0 | 0 | 0 | 109.8 | T580 L581 D584 V588 | T580-V586 WeakPolarHBondContact CA-O 3.23Å; L581-V586 HydrophobicContact CD1-CB 4.3Å; L581-V586 PolarHBondContact N-O 3.3Å; D584-V586 HydrophobicContact CB-CG2 3.89Å; D584-V586 PolarHBondContact O-N 3.34Å; D584-V586 VanDerWaalsContact O-N 3.09Å; V586-V588 HydrophobicContact CG1-CG1 4.45Å | ||
| 587 | P | 94.2 | Very high | 89.3 | Confident | 71 Ų | 71 | 62.2 Ų | 62.2 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 138.4 | 175 | 30.1 | -34.5 | 0 | 0 | 0 | 111.2 | G579 L639 | G579-P587 WeakPolarHBondContact O-CA 3.41Å; P587-L639 HydrophobicContact CB-CB 4.38Å; P587-L639 HydrophobicContact CB-CD2 3.85Å |
| 588 | V | 96.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 159.2 | -174.7 | -62 | 0 | 0 | 0 | 0 | 111.7 | K578 G579 L581 V586 V590 I624 V636 M637 | K578-V588 CarbonylContact C-O 3.51Å; G579-V588 VanDerWaalsContact C-CG2 3.44Å; G579-V588 PolarHBondContact N-O 3.17Å; G579-V588 PolarHBondContact O-N 2.94Å; L581-V588 HydrophobicContact CD1-CG1 4.07Å; L581-V588 HydrophobicContact CD2-CG1 4.39Å; L581-V588 HydrophobicContact CG-CG1 3.77Å; V586-V588 HydrophobicContact CG1-CG1 4.45Å; V588-V590 HydrophobicContact CG2-CG2 3.83Å; V588-I624 HydrophobicContact CB-CD1 4.26Å; V588-I624 HydrophobicContact CG1-CD1 3.36Å; V588-V636 HydrophobicContact CB-CG1 3.69Å; V588-V636 HydrophobicContact CG1-CG1 3.95Å; V588-V636 HydrophobicContact CG2-CG1 3.75Å; V588-M637 WeakPolarHBondContact CA-O 3.19Å; V588-M637 WeakPolarHBondContact CB-O 3.5Å |
| 589 | A | 96.1 | Very high | 87.1 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | F577 V636 M637 L639 | F577-A589 CarbonylContact O-C 3.41Å; F577-A589 WeakPolarHBondContact O-CA 3.04Å; A589-V636 WeakPolarHBondContact O-CA 3.43Å; A589-M637 PolarHBondContact N-O 2.64Å; A589-M637 PolarHBondContact O-N 3.35Å; A589-L639 HydrophobicContact CB-CD1 4.21Å |
| 590 | V | 95.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 105.5 | -175.9 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | V562 L564 V576 F577 V588 Y634 V636 | V562-V590 HydrophobicContact CG1-CG2 3.72Å; L564-V590 HydrophobicContact CD2-CB 3.75Å; L564-V590 HydrophobicContact CD2-CG1 3.67Å; L564-V590 HydrophobicContact CD2-CG2 3.93Å; V576-V590 CarbonylContact C-O 3.58Å; V576-V590 WeakPolarHBondContact CA-O 3.42Å; F577-V590 PolarHBondContact N-O 3.42Å; F577-V590 PolarHBondContact O-N 3.03Å; V588-V590 HydrophobicContact CG2-CG2 3.83Å; V590-Y634 HydrophobicContact CG1-CD1 3.95Å; V590-Y634 HydrophobicContact CG1-CD2 3.97Å; V590-Y634 HydrophobicContact CG1-CG 3.62Å; V590-V636 HydrophobicContact CG1-CG2 4.49Å |
| 591 | K | 94.2 | Very high | 85.1 | Confident | 10 Ų | 10 | 70 Ų | 70 | 4% | 0.043 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.7 | 174 | -157.9 | 179.5 | -165.4 | 171.7 | 0 | 108 | V576 F605 E608 Y634 I635 M637 D702 | V576-K591 HydrophobicContact CG2-CG 4.09Å; K591-F605 HydrophobicContact CB-CE2 4.11Å; K591-F605 HydrophobicContact CD-CD2 4.44Å; K591-F605 HydrophobicContact CD-CE2 4.04Å; K591-F605 HydrophobicContact CG-CE2 3.84Å; K591-F605 WeakPolarHBondContact O-CZ 3.42Å; K591-E608 WeakPolarHBondContact CD-OE2 3.4Å; K591-E608 WeakPolarHBondContact CE-OE2 3.3Å; K591-E608 VanDerWaalsContact NZ-CD 3.28Å; K591-E608 IonicContact NZ-OE1 2.7Å; K591-E608 PolarHBondContact NZ-OE1 3.38Å; K591-E608 VanDerWaalsContact NZ-OE1 3.16Å; K591-E608 IonicContact NZ-OE2 3.84Å; K591-E608 PolarHBondContact NZ-OE2 2.71Å; K591-Y634 WeakPolarHBondContact O-CA 3.46Å; K591-I635 HydrophobicContact CB-CB 4.35Å; K591-I635 PolarHBondContact N-O 2.72Å; K591-I635 PolarHBondContact O-N 3.42Å; K591-M637 HydrophobicContact CB-CE 4.13Å; K591-M637 HydrophobicContact CD-CE 4.49Å; K591-D702 IonicContact NZ-OD1 3.51Å; K591-D702 PolarHBondContact NZ-OD1 3.13Å |
| 592 | T | 91.8 | Very high | 84.2 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.055 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 146.5 | 177.7 | 70.8 | 0 | 0 | 0 | 0 | 110.5 | G574 E575 F577 Y634 | G574-T592 WeakPolarHBondContact CA-O 3.43Å; E575-T592 PolarHBondContact N-OG1 3.49Å; E575-T592 PolarHBondContact O-N 2.97Å; E575-T592 PolarHBondContact O-OG1 3.28Å; E575-T592 VanDerWaalsContact O-OG1 3.14Å; F577-T592 HydrophobicContact CD2-CG2 3.69Å; F577-T592 HydrophobicContact CE2-CG2 3.71Å; T592-Y634 HydrophobicContact CG2-CD1 3.73Å; T592-Y634 HydrophobicContact CG2-CE1 3.58Å |
| 593 | C | 86.7 | Confident | 83.6 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | trans | -106.6 | 121.7 | 170.6 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | F573 F605 I633 | F573-C593 WeakPolarHBondContact O-CA 3.33Å; C593-F605 HydrophobicContact CB-CD1 3.58Å; C593-F605 HydrophobicContact CB-CD2 3.93Å; C593-F605 HydrophobicContact CB-CE1 3.58Å; C593-F605 HydrophobicContact CB-CE2 3.91Å; C593-F605 HydrophobicContact CB-CG 3.75Å; C593-F605 HydrophobicContact CB-CZ 3.73Å; C593-I633 PolarHBondContact N-O 3.35Å | ||
| 594 | K | 79.6 | Confident | 83.3 | Confident | 94 Ų | 94 | 59.5 Ų | 59.5 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | trans | -67.8 | 143.9 | 177.3 | -61.8 | -177.8 | 172.3 | -171.6 | 0 | 111.8 | F573 D596 L597 K602 | F573-K594 PolarHBondContact O-N 3.17Å; F573-K594 VanDerWaalsContact O-N 3.08Å; K594-D596 VanDerWaalsContact C-N 3.32Å; K594-D596 VanDerWaalsContact CB-OD1 3.23Å; K594-D596 WeakPolarHBondContact CB-OD1 3.43Å; K594-D596 PolarHBondContact O-N 3.34Å; K594-L597 HydrophobicContact CB-CD1 4.28Å; K594-L597 HydrophobicContact CB-CG 4.09Å; K594-K602 WeakPolarHBondContact O-CE 3.44Å | ||
| 595 | E | 74.7 | Confident | 83.2 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -23.9 | -177.2 | -72.2 | -174.7 | -171.2 | 0 | 0 | 114 | K602 Q631 | E595-K602 WeakPolarHBondContact O-CE 3.38Å; E595-K602 PolarHBondContact O-NZ 3.06Å; E595-Q631 HydrophobicContact CG-CB 4.19Å; E595-Q631 HydrophobicContact CG-CG 4.29Å; E595-Q631 WeakPolarHBondContact OE1-CB 3.49Å |
| 596 | D | 76.3 | Confident | 82.9 | Confident | 132 Ų | 132 | 47.9 Ų | 47.9 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -2.8 | -177.2 | 63.2 | -27.4 | 0 | 0 | 0 | 113.5 | K594 | K594-D596 VanDerWaalsContact C-N 3.32Å; K594-D596 VanDerWaalsContact CB-OD1 3.23Å; K594-D596 WeakPolarHBondContact CB-OD1 3.43Å; K594-D596 PolarHBondContact O-N 3.34Å |
| 597 | L | 75.5 | Confident | 82.4 | Confident | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -67.2 | 146.8 | -178.5 | -72.2 | 176.9 | 0 | 0 | 0 | 113.3 | F573 K594 L601 K602 | F573-L597 HydrophobicContact CB-CD1 4.3Å; F573-L597 WeakPolarHBondContact O-CD1 3.39Å; K594-L597 HydrophobicContact CB-CD1 4.28Å; K594-L597 HydrophobicContact CB-CG 4.09Å; L597-L601 HydrophobicContact CB-CB 4.46Å; L597-L601 HydrophobicContact CD2-CD1 4.18Å; L597-K602 HydrophobicContact CB-CG 4.14Å; L597-K602 VanDerWaalsContact O-CE 3.24Å; L597-K602 WeakPolarHBondContact O-CE 3.44Å; L597-K602 PolarHBondContact O-NZ 3.02Å |
| 598 | P | 74.6 | Confident | 82.2 | Confident | 70 Ų | 70 | 41.7 Ų | 41.7 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | trans | -49.7 | 140.1 | 168.9 | -27.4 | 33.2 | 0 | 0 | 0 | 112 | E600 L601 K602 | P598-E600 PolarHBondContact O-N 3.37Å; P598-E600 VanDerWaalsContact O-N 3.09Å; P598-L601 HydrophobicContact CG-CD1 4.41Å; P598-L601 PolarHBondContact O-N 2.86Å; P598-K602 PolarHBondContact O-N 3.06Å | ||
| 599 | P | 71.3 | Confident | 81.8 | Confident | 90 Ų | 90 | 41.8 Ų | 41.8 | 58% | 0.584 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -50.9 | -37.5 | -179.9 | -29.2 | 35.2 | 0 | 0 | 0 | 113.8 | L601 K602 I603 | P599-L601 VanDerWaalsContact C-N 3.33Å; P599-L601 PolarHBondContact O-N 3.33Å; P599-K602 WeakPolarHBondContact O-CB 3.47Å; P599-K602 PolarHBondContact O-N 3.5Å; P599-I603 VanDerWaalsContact O-CG1 3.29Å; P599-I603 WeakPolarHBondContact O-CG1 3.5Å; P599-I603 PolarHBondContact O-N 2.98Å |
| 600 | E | 73 | Confident | 81.4 | Confident | 141 Ų | 141 | 45.1 Ų | 45.1 | 66% | 0.659 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.8 | -37.1 | 178.1 | -63.4 | 178.5 | -164 | 0 | 0 | 113.6 | P598 R604 | P598-E600 PolarHBondContact O-N 3.37Å; P598-E600 VanDerWaalsContact O-N 3.09Å; E600-R604 WeakPolarHBondContact O-CG 3.42Å; E600-R604 PolarHBondContact O-N 3.49Å |
| 601 | L | 75.6 | Confident | 81.1 | Confident | 30 Ų | 30 | 45.3 Ų | 45.3 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.8 | -35.5 | 177 | -67.3 | -176.2 | 0 | 0 | 0 | 111 | F573 L597 P598 P599 I603 R604 F605 | F573-L601 HydrophobicContact CD1-CB 4.15Å; F573-L601 WeakPolarHBondContact CD1-O 3.3Å; F573-L601 HydrophobicContact CE1-CB 4.14Å; F573-L601 HydrophobicContact CE1-CD2 4.28Å; F573-L601 WeakPolarHBondContact CE1-O 3.28Å; L597-L601 HydrophobicContact CB-CB 4.46Å; L597-L601 HydrophobicContact CD2-CD1 4.18Å; P598-L601 HydrophobicContact CG-CD1 4.41Å; P598-L601 PolarHBondContact O-N 2.86Å; P599-L601 VanDerWaalsContact C-N 3.33Å; P599-L601 PolarHBondContact O-N 3.33Å; L601-I603 VanDerWaalsContact C-N 3.3Å; L601-I603 PolarHBondContact O-N 3.45Å; L601-R604 WeakPolarHBondContact O-CB 3.26Å; L601-R604 PolarHBondContact O-N 3.01Å; L601-F605 PolarHBondContact O-N 3.32Å |
| 602 | K | 75.2 | Confident | 81 | Confident | 17 Ų | 17 | 45 Ų | 45 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -35.8 | 174.2 | -62.4 | -177.6 | 170.6 | 133.5 | 0 | 112.4 | H485 K594 E595 L597 P598 P599 F605 L606 | H485-K602 PolarHBondContact CE1-NZ 2.81Å; H485-K602 VanDerWaalsContact CE1-NZ 3.35Å; H485-K602 PolarHBondContact NE2-NZ 2.88Å; K594-K602 WeakPolarHBondContact O-CE 3.44Å; E595-K602 WeakPolarHBondContact O-CE 3.38Å; E595-K602 PolarHBondContact O-NZ 3.06Å; L597-K602 HydrophobicContact CB-CG 4.14Å; L597-K602 VanDerWaalsContact O-CE 3.24Å; L597-K602 WeakPolarHBondContact O-CE 3.44Å; L597-K602 PolarHBondContact O-NZ 3.02Å; P598-K602 PolarHBondContact O-N 3.06Å; P599-K602 WeakPolarHBondContact O-CB 3.47Å; P599-K602 PolarHBondContact O-N 3.5Å; K602-F605 WeakPolarHBondContact O-CB 3.47Å; K602-F605 PolarHBondContact O-N 2.93Å; K602-L606 PolarHBondContact O-N 3.2Å |
| 603 | I | 75 | Confident | 81 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.3 | -46.3 | 173.1 | -66.3 | 167.6 | 0 | 0 | 0 | 110.5 | T467 P599 L601 F605 L606 S607 | T467-I603 HydrophobicContact CG2-CD1 3.6Å; T467-I603 HydrophobicContact CG2-CG1 4.4Å; T467-I603 WeakPolarHBondContact OG1-CD1 3.5Å; T467-I603 WeakPolarHBondContact OG1-CG1 3.47Å; P599-I603 VanDerWaalsContact O-CG1 3.29Å; P599-I603 WeakPolarHBondContact O-CG1 3.5Å; P599-I603 PolarHBondContact O-N 2.98Å; L601-I603 VanDerWaalsContact C-N 3.3Å; L601-I603 PolarHBondContact O-N 3.45Å; I603-F605 VanDerWaalsContact C-N 3.26Å; I603-F605 PolarHBondContact O-N 2.87Å; I603-L606 PolarHBondContact O-N 2.97Å; I603-S607 PolarHBondContact O-N 3.45Å |
| 604 | R | 76.6 | Confident | 81.2 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 176.9 | -71.6 | -179.5 | -169.8 | -169.1 | 2 | 112.2 | F573 E600 L601 S607 E608 | F573-R604 HydrophobicContact CE1-CB 3.62Å; F573-R604 HydrophobicContact CZ-CB 3.67Å; E600-R604 WeakPolarHBondContact O-CG 3.42Å; E600-R604 PolarHBondContact O-N 3.49Å; L601-R604 WeakPolarHBondContact O-CB 3.26Å; L601-R604 PolarHBondContact O-N 3.01Å; R604-S607 WeakPolarHBondContact O-CB 3.38Å; R604-S607 PolarHBondContact O-N 2.94Å; R604-E608 PolarHBondContact O-N 3.27Å |
| 605 | F | 84 | Confident | 81.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.3 | -54.1 | 174.5 | 179.2 | -98.8 | 0 | 0 | 0 | 111.5 | F573 K591 C593 L601 K602 I603 S607 E608 I633 I635 | F573-F605 HydrophobicContact CB-CB 4.41Å; F573-F605 HydrophobicContact CB-CD2 3.68Å; F573-F605 HydrophobicContact CB-CE2 4.42Å; F573-F605 HydrophobicContact CB-CG 4.43Å; F573-F605 HydrophobicContact CD1-CB 3.95Å; F573-F605 HydrophobicContact CD2-CD2 4.21Å; F573-F605 HydrophobicContact CE1-CB 4.42Å; F573-F605 HydrophobicContact CG-CB 4.06Å; F573-F605 AromaticContact CG-CD2 3.92Å; F573-F605 HydrophobicContact CG-CD2 3.92Å; F573-F605 HydrophobicContact CG-CG 4.48Å; K591-F605 HydrophobicContact CB-CE2 4.11Å; K591-F605 HydrophobicContact CD-CD2 4.44Å; K591-F605 HydrophobicContact CD-CE2 4.04Å; K591-F605 HydrophobicContact CG-CE2 3.84Å; K591-F605 WeakPolarHBondContact O-CZ 3.42Å; C593-F605 HydrophobicContact CB-CD1 3.58Å; C593-F605 HydrophobicContact CB-CD2 3.93Å; C593-F605 HydrophobicContact CB-CE1 3.58Å; C593-F605 HydrophobicContact CB-CE2 3.91Å; C593-F605 HydrophobicContact CB-CG 3.75Å; C593-F605 HydrophobicContact CB-CZ 3.73Å; L601-F605 PolarHBondContact O-N 3.32Å; K602-F605 WeakPolarHBondContact O-CB 3.47Å; K602-F605 PolarHBondContact O-N 2.93Å; I603-F605 VanDerWaalsContact C-N 3.26Å; I603-F605 PolarHBondContact O-N 2.87Å; F605-S607 VanDerWaalsContact C-N 3.29Å; F605-S607 PolarHBondContact O-N 3.49Å; F605-E608 WeakPolarHBondContact O-CB 3.5Å; F605-E608 PolarHBondContact O-N 2.92Å; F605-I633 HydrophobicContact CD1-CG2 4.48Å; F605-I633 HydrophobicContact CE1-CB 4.15Å; F605-I633 HydrophobicContact CE1-CG2 3.78Å; F605-I635 HydrophobicContact CD1-CD1 3.92Å; F605-I635 HydrophobicContact CD1-CG1 4.37Å; F605-I635 HydrophobicContact CD2-CD1 4.13Å; F605-I635 HydrophobicContact CE1-CD1 3.7Å; F605-I635 HydrophobicContact CE1-CG1 3.67Å; F605-I635 HydrophobicContact CE2-CD1 3.95Å; F605-I635 HydrophobicContact CE2-CG1 4.27Å; F605-I635 HydrophobicContact CG-CD1 4.14Å; F605-I635 HydrophobicContact CZ-CB 4.16Å; F605-I635 HydrophobicContact CZ-CD1 3.73Å; F605-I635 HydrophobicContact CZ-CG1 3.63Å; F605-I635 WeakPolarHBondContact O-CD1 3.46Å |
| 606 | L | 83.4 | Confident | 82.8 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.9 | -25.6 | 178.6 | -72.9 | 178.7 | 0 | 0 | 0 | 113.9 | P465 E468 K602 I603 E608 A609 R610 V626 T628 I633 | P465-L606 HydrophobicContact CG-CD1 3.78Å; E468-L606 HydrophobicContact CB-CD1 4.38Å; E468-L606 HydrophobicContact CG-CD1 4.2Å; K602-L606 PolarHBondContact O-N 3.2Å; I603-L606 PolarHBondContact O-N 2.97Å; L606-E608 PolarHBondContact O-N 3.1Å; L606-A609 PolarHBondContact O-N 3.35Å; L606-R610 PolarHBondContact O-N 3.39Å; L606-V626 HydrophobicContact CD2-CG1 4.1Å; L606-T628 HydrophobicContact CD2-CG2 4.25Å; L606-I633 HydrophobicContact CD2-CG2 4.02Å |
| 607 | S | 81.8 | Confident | 83.8 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -33.5 | 173.6 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | I603 R604 F605 R610 I611 | I603-S607 PolarHBondContact O-N 3.45Å; R604-S607 WeakPolarHBondContact O-CB 3.38Å; R604-S607 PolarHBondContact O-N 2.94Å; F605-S607 VanDerWaalsContact C-N 3.29Å; F605-S607 PolarHBondContact O-N 3.49Å; S607-R610 PolarHBondContact O-N 3.32Å; S607-R610 PolarHBondContact OG-NH2 3.42Å; S607-I611 VanDerWaalsContact O-CG1 3.28Å; S607-I611 WeakPolarHBondContact O-CG1 3.47Å; S607-I611 PolarHBondContact O-N 2.97Å |
| 608 | E | 88.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 175.6 | 169.6 | 166.3 | -148.5 | 0 | 0 | 111.2 | K591 R604 F605 L606 R610 I611 L612 I635 D702 F703 | K591-E608 WeakPolarHBondContact CD-OE2 3.4Å; K591-E608 WeakPolarHBondContact CE-OE2 3.3Å; K591-E608 VanDerWaalsContact NZ-CD 3.28Å; K591-E608 IonicContact NZ-OE1 2.7Å; K591-E608 PolarHBondContact NZ-OE1 3.38Å; K591-E608 VanDerWaalsContact NZ-OE1 3.16Å; K591-E608 IonicContact NZ-OE2 3.84Å; K591-E608 PolarHBondContact NZ-OE2 2.71Å; R604-E608 PolarHBondContact O-N 3.27Å; F605-E608 WeakPolarHBondContact O-CB 3.5Å; F605-E608 PolarHBondContact O-N 2.92Å; L606-E608 PolarHBondContact O-N 3.1Å; E608-R610 VanDerWaalsContact C-N 3.35Å; E608-R610 PolarHBondContact O-N 3.26Å; E608-I611 PolarHBondContact O-N 3.33Å; E608-L612 HydrophobicContact CG-CD1 4.03Å; E608-L612 WeakPolarHBondContact O-CB 3.35Å; E608-L612 WeakPolarHBondContact O-CG 3.32Å; E608-L612 PolarHBondContact O-N 2.77Å; E608-I635 HydrophobicContact CB-CD1 4.31Å; E608-I635 HydrophobicContact CG-CD1 4.48Å; E608-D702 WeakPolarHBondContact OE1-CA 3.41Å; E608-F703 HydrophobicContact CB-CB 4.33Å; E608-F703 HydrophobicContact CG-CB 4.03Å; E608-F703 PolarHBondContact OE1-N 3.02Å |
| 609 | A | 89.2 | Confident | 85.9 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L606 I611 L612 K613 L623 V626 I635 | L606-A609 PolarHBondContact O-N 3.35Å; A609-I611 VanDerWaalsContact C-N 3.3Å; A609-I611 PolarHBondContact O-N 3.36Å; A609-L612 PolarHBondContact O-N 2.89Å; A609-K613 VanDerWaalsContact O-CG 3.29Å; A609-K613 WeakPolarHBondContact O-CG 3.25Å; A609-K613 PolarHBondContact O-N 3.13Å; A609-L623 HydrophobicContact CB-CD1 4.45Å; A609-L623 HydrophobicContact CB-CD2 4.42Å; A609-V626 HydrophobicContact CB-CG2 3.61Å; A609-I635 HydrophobicContact CB-CD1 3.94Å; A609-I635 HydrophobicContact CB-CG1 4.09Å; A609-I635 HydrophobicContact CB-CG2 4.48Å |
| 610 | R | 86.6 | Confident | 87.1 | Confident | 80 Ų | 80 | 39.6 Ų | 39.6 | 30% | 0.302 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 178.4 | -178.6 | 177.7 | 61.7 | -165.1 | -2.2 | 112.6 | E471 L606 S607 E608 Q614 | E471-R610 IonicContact OE1-NH1 2.93Å; E471-R610 PolarHBondContact OE1-NH1 3Å; E471-R610 IonicContact OE2-CZ 3.22Å; E471-R610 IonicContact OE2-NH1 2.68Å; E471-R610 PolarHBondContact OE2-NH1 3.16Å; L606-R610 PolarHBondContact O-N 3.39Å; S607-R610 PolarHBondContact O-N 3.32Å; S607-R610 PolarHBondContact OG-NH2 3.42Å; E608-R610 VanDerWaalsContact C-N 3.35Å; E608-R610 PolarHBondContact O-N 3.26Å; R610-Q614 PolarHBondContact O-NE2 3.17Å |
| 611 | I | 89.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.7 | -51.7 | 176.4 | -71.3 | -69.3 | 0 | 0 | 0 | 109.9 | S607 E608 A609 K613 Q614 Y615 F703 Q708 | S607-I611 VanDerWaalsContact O-CG1 3.28Å; S607-I611 WeakPolarHBondContact O-CG1 3.47Å; S607-I611 PolarHBondContact O-N 2.97Å; E608-I611 PolarHBondContact O-N 3.33Å; A609-I611 VanDerWaalsContact C-N 3.3Å; A609-I611 PolarHBondContact O-N 3.36Å; I611-K613 VanDerWaalsContact C-N 3.31Å; I611-K613 PolarHBondContact O-N 2.57Å; I611-Q614 PolarHBondContact O-N 3.26Å; I611-Q614 VanDerWaalsContact O-N 3.16Å; I611-Y615 HydrophobicContact CB-CE2 4.48Å; I611-Y615 HydrophobicContact CG2-CD2 3.97Å; I611-Y615 HydrophobicContact CG2-CE2 3.17Å; I611-F703 HydrophobicContact CG2-CB 4.3Å; I611-F703 HydrophobicContact CG2-CD1 3.73Å; I611-F703 HydrophobicContact CG2-CE1 4.45Å; I611-F703 HydrophobicContact CG2-CG 4.28Å; I611-Q708 HydrophobicContact CD1-CB 3.91Å |
| 612 | L | 92.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.2 | -25.6 | -175.7 | -69.1 | 175.2 | 0 | 0 | 0 | 114.4 | E608 A609 Q614 Y615 I620 V621 L623 M637 F703 | E608-L612 HydrophobicContact CG-CD1 4.03Å; E608-L612 WeakPolarHBondContact O-CB 3.35Å; E608-L612 WeakPolarHBondContact O-CG 3.32Å; E608-L612 PolarHBondContact O-N 2.77Å; A609-L612 PolarHBondContact O-N 2.89Å; L612-Q614 PolarHBondContact O-N 3.17Å; L612-Q614 VanDerWaalsContact O-N 3.09Å; L612-Y615 HydrophobicContact CD2-CD2 4.41Å; L612-Y615 PolarHBondContact O-N 3.1Å; L612-Y615 VanDerWaalsContact O-N 3.09Å; L612-I620 HydrophobicContact CD2-CG2 3.97Å; L612-V621 HydrophobicContact CD1-CG1 4.09Å; L612-V621 HydrophobicContact CD2-CG1 4.22Å; L612-V621 WeakPolarHBondContact CD2-O 3.33Å; L612-L623 HydrophobicContact CB-CB 3.79Å; L612-L623 HydrophobicContact CB-CD2 4.36Å; L612-M637 HydrophobicContact CD1-SD 4.04Å; L612-F703 HydrophobicContact CD1-CD2 4.3Å; L612-F703 HydrophobicContact CD2-CD2 3.6Å; L612-F703 HydrophobicContact CD2-CE2 3.65Å; L612-F703 HydrophobicContact CD2-CG 4.1Å; L612-F703 HydrophobicContact CD2-CZ 4.16Å; L612-F703 HydrophobicContact CG-CD2 4.09Å; L612-F703 HydrophobicContact CG-CG 4.37Å |
| 613 | K | 91.1 | Very high | 90 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.5 | 172.8 | -81.9 | 179.6 | -177.7 | -176.9 | 0 | 113.3 | W555 A609 I611 L623 | W555-K613 HydrophobicContact CB-CD 4.46Å; W555-K613 HydrophobicContact CD2-CD 4.44Å; W555-K613 HydrophobicContact CD2-CG 3.83Å; W555-K613 HydrophobicContact CE3-CG 4.41Å; W555-K613 HydrophobicContact CG-CD 4Å; W555-K613 HydrophobicContact CG-CG 3.91Å; W555-K613 HydrophobicContact CZ2-CB 4.25Å; W555-K613 HydrophobicContact CZ2-CG 4.34Å; W555-K613 VanDerWaalsContact CZ2-O 3.29Å; W555-K613 WeakPolarHBondContact CZ2-O 3.44Å; A609-K613 VanDerWaalsContact O-CG 3.29Å; A609-K613 WeakPolarHBondContact O-CG 3.25Å; A609-K613 PolarHBondContact O-N 3.13Å; I611-K613 VanDerWaalsContact C-N 3.31Å; I611-K613 PolarHBondContact O-N 2.57Å; K613-L623 HydrophobicContact CB-CD2 4.3Å; K613-L623 HydrophobicContact CG-CD2 3.45Å; K613-L623 VanDerWaalsContact CG-CD2 3.45Å |
| 614 | Q | 90.3 | Very high | 91 | Very high | 93 Ų | 93 | 35.6 Ų | 35.6 | 44% | 0.435 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -7.9 | -175 | -56.4 | -179.8 | 65.4 | 0 | 0 | 112.7 | R610 I611 L612 | R610-Q614 PolarHBondContact O-NE2 3.17Å; I611-Q614 PolarHBondContact O-N 3.26Å; I611-Q614 VanDerWaalsContact O-N 3.16Å; L612-Q614 PolarHBondContact O-N 3.17Å; L612-Q614 VanDerWaalsContact O-N 3.09Å |
| 615 | Y | 94 | Very high | 91.7 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | trans | -114 | 135.5 | -166 | -60.3 | -14.6 | 0 | 0 | 0 | 112.4 | I611 L612 Y674 L675 K678 C680 F703 | I611-Y615 HydrophobicContact CB-CE2 4.48Å; I611-Y615 HydrophobicContact CG2-CD2 3.97Å; I611-Y615 HydrophobicContact CG2-CE2 3.17Å; L612-Y615 HydrophobicContact CD2-CD2 4.41Å; L612-Y615 PolarHBondContact O-N 3.1Å; L612-Y615 VanDerWaalsContact O-N 3.09Å; Y615-Y674 AromaticContact CD1-CE1 3.98Å; Y615-Y674 HydrophobicContact CD1-CE1 3.98Å; Y615-Y674 AromaticContact CG-CE1 3.94Å; Y615-Y674 HydrophobicContact CG-CE1 3.94Å; Y615-L675 HydrophobicContact CD2-CD2 3.76Å; Y615-L675 HydrophobicContact CE2-CD2 3.48Å; Y615-L675 VanDerWaalsContact CE2-CD2 3.48Å; Y615-K678 HydrophobicContact CD1-CG 4.15Å; Y615-K678 HydrophobicContact CE1-CB 3.78Å; Y615-K678 HydrophobicContact CE1-CD 4.49Å; Y615-K678 HydrophobicContact CE1-CG 3.85Å; Y615-C680 HydrophobicContact CE2-CB 4.38Å; Y615-C680 WeakPolarHBondContact OH-CB 3.33Å; Y615-C680 PolarHBondContact OH-SG 3.28Å; Y615-F703 HydrophobicContact CD2-CE1 4.49Å; Y615-F703 HydrophobicContact CE2-CE1 4.28Å | ||
| 616 | D | 94.6 | Very high | 92.1 | Very high | 115 Ų | 115 | 33 Ų | 33 | 62% | 0.615 | 16% | 0.162 | S | C | * | . | trans | -145.4 | 99.5 | 172.4 | -165.9 | 24.6 | 0 | 0 | 0 | 107.7 | K622 Y674 | D616-K622 IonicContact OD1-NZ 3.08Å; D616-K622 PolarHBondContact OD1-NZ 3.21Å; D616-Y674 PolarHBondContact N-OH 3Å | ||
| 617 | H | 97.1 | Very high | 92.5 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 19% | 0.194 | 16% | 0.159 | C | C | . | . | trans | -151.1 | 139.5 | -177 | -175.1 | -91.2 | 0 | 0 | 0 | 109.8 | N619 I620 Y674 | H617-N619 PolarHBondContact CE1-OD1 3Å; H617-N619 VanDerWaalsContact CE1-OD1 3.28Å; H617-N619 PolarHBondContact ND1-N 3.13Å; H617-N619 VanDerWaalsContact ND1-N 3.13Å; H617-N619 PolarHBondContact O-N 2.98Å; H617-N619 VanDerWaalsContact O-N 3.08Å; H617-I620 HydrophobicContact CB-CB 4.26Å; H617-I620 HydrophobicContact CB-CG1 3.85Å; H617-I620 PolarHBondContact O-N 3.04Å; H617-Y674 HydrophobicContact CB-CD1 3.77Å; H617-Y674 HydrophobicContact CB-CD2 4.13Å; H617-Y674 HydrophobicContact CB-CE1 3.98Å; H617-Y674 HydrophobicContact CB-CE2 4.31Å; H617-Y674 HydrophobicContact CB-CG 3.85Å; H617-Y674 AromaticContact CD2-CD2 3.7Å; H617-Y674 AromaticContact CD2-CG 3.72Å; H617-Y674 AromaticContact CG-CG 3.76Å | ||
| 618 | P | 95.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 32.8 Ų | 32.8 | 54% | 0.539 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.3 | -175.7 | 22.5 | -35.8 | 0 | 0 | 0 | 114.7 | K699 | P618-K699 WeakPolarHBondContact O-CE 3.48Š|
| 619 | N | 97.6 | Very high | 92.6 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 16.4 | 179.5 | -53.6 | 106.9 | 0 | 0 | 0 | 114 | H617 D667 L698 K699 I700 | H617-N619 PolarHBondContact CE1-OD1 3Å; H617-N619 VanDerWaalsContact CE1-OD1 3.28Å; H617-N619 PolarHBondContact ND1-N 3.13Å; H617-N619 VanDerWaalsContact ND1-N 3.13Å; H617-N619 PolarHBondContact O-N 2.98Å; H617-N619 VanDerWaalsContact O-N 3.08Å; N619-D667 VanDerWaalsContact CB-O 3.25Å; N619-D667 WeakPolarHBondContact CB-O 3.41Å; N619-D667 VanDerWaalsContact CG-O 3.25Å; N619-D667 VanDerWaalsContact ND2-CB 3.29Å; N619-D667 WeakPolarHBondContact ND2-CB 2.94Å; N619-L698 WeakPolarHBondContact CB-O 3.42Å; N619-L698 PolarHBondContact ND2-O 3.05Å; N619-K699 CarbonylContact O-C 3.56Å; N619-K699 WeakPolarHBondContact O-CA 3.31Å; N619-I700 PolarHBondContact O-N 3.24Å |
| 620 | I | 97.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -122.3 | 138.9 | 173.2 | -55.4 | -62.7 | 0 | 0 | 0 | 107.9 | L612 H617 K622 Y674 L675 I700 F703 | L612-I620 HydrophobicContact CD2-CG2 3.97Å; H617-I620 HydrophobicContact CB-CB 4.26Å; H617-I620 HydrophobicContact CB-CG1 3.85Å; H617-I620 PolarHBondContact O-N 3.04Å; I620-K622 PolarHBondContact O-N 2.7Å; I620-Y674 HydrophobicContact CG1-CD1 4.12Å; I620-L675 HydrophobicContact CD1-CD1 4.11Å; I620-L675 HydrophobicContact CD1-CD2 3.97Å; I620-L675 HydrophobicContact CD1-CG 3.89Å; I620-I700 HydrophobicContact CD1-CB 4.01Å; I620-I700 HydrophobicContact CD1-CD1 3.99Å; I620-I700 HydrophobicContact CD1-CG1 4.45Å; I620-F703 HydrophobicContact CD1-CZ 4.23Å; I620-F703 HydrophobicContact CG2-CE2 4.02Å; I620-F703 HydrophobicContact CG2-CZ 3.71Å |
| 621 | V | 95.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 131.9 | 175.7 | 70.2 | 0 | 0 | 0 | 0 | 110.6 | L612 M637 E638 V640 I700 F703 | L612-V621 HydrophobicContact CD1-CG1 4.09Å; L612-V621 HydrophobicContact CD2-CG1 4.22Å; L612-V621 WeakPolarHBondContact CD2-O 3.33Å; V621-M637 HydrophobicContact CG1-SD 4.2Å; V621-M637 HydrophobicContact CG2-CB 4.12Å; V621-M637 HydrophobicContact CG2-SD 4.39Å; V621-E638 HydrophobicContact CG2-CG 3.85Å; V621-V640 HydrophobicContact CG2-CG2 4.46Å; V621-I700 PolarHBondContact N-O 2.81Å; V621-F703 HydrophobicContact CG1-CE2 4.23Å |
| 622 | K | 94.8 | Very high | 92.1 | Very high | 100 Ų | 100 | 39.7 Ų | 39.7 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -85.2 | 126.7 | -177.9 | -171 | 163.6 | -174.2 | 152.6 | 0 | 111.5 | D616 I620 M637 E638 | D616-K622 IonicContact OD1-NZ 3.08Å; D616-K622 PolarHBondContact OD1-NZ 3.21Å; I620-K622 PolarHBondContact O-N 2.7Å; K622-M637 CarbonylContact O-C 3.54Å; K622-M637 VanDerWaalsContact O-CA 3.32Å; K622-M637 WeakPolarHBondContact O-CA 3.45Å; K622-E638 HydrophobicContact CB-CB 4.34Å; K622-E638 HydrophobicContact CB-CG 4.02Å; K622-E638 VanDerWaalsContact CB-OE1 3.22Å; K622-E638 WeakPolarHBondContact CB-OE1 3.46Å; K622-E638 PolarHBondContact N-OE1 2.98Å; K622-E638 PolarHBondContact O-N 2.91Å |
| 623 | L | 95.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 135.3 | 165.5 | -176.7 | 69.1 | 0 | 0 | 0 | 109.7 | W555 A609 L612 K613 V626 I635 M637 | W555-L623 HydrophobicContact CD2-CD2 4.42Å; W555-L623 HydrophobicContact CE3-CD2 3.87Å; W555-L623 HydrophobicContact CE3-CG 4.13Å; W555-L623 HydrophobicContact CZ3-CB 4.22Å; W555-L623 HydrophobicContact CZ3-CD2 4.09Å; W555-L623 HydrophobicContact CZ3-CG 4.15Å; A609-L623 HydrophobicContact CB-CD1 4.45Å; A609-L623 HydrophobicContact CB-CD2 4.42Å; L612-L623 HydrophobicContact CB-CB 3.79Å; L612-L623 HydrophobicContact CB-CD2 4.36Å; K613-L623 HydrophobicContact CB-CD2 4.3Å; K613-L623 HydrophobicContact CG-CD2 3.45Å; K613-L623 VanDerWaalsContact CG-CD2 3.45Å; L623-V626 HydrophobicContact CD1-CG2 4.43Å; L623-I635 HydrophobicContact CD1-CG2 3.76Å; L623-M637 HydrophobicContact CD1-CG 4.45Å |
| 624 | I | 94.1 | Very high | 92 | Very high | 46 Ų | 46 | 37.8 Ų | 37.8 | 24% | 0.236 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -46 | 171.9 | -65.9 | 177 | 0 | 0 | 0 | 109.3 | L557 L581 V588 V636 | L557-I624 HydrophobicContact CD1-CG2 4.31Å; L581-I624 HydrophobicContact CD1-CG2 3.84Å; V588-I624 HydrophobicContact CB-CD1 4.26Å; V588-I624 HydrophobicContact CG1-CD1 3.36Å; I624-V636 WeakPolarHBondContact CA-O 3.09Å; I624-V636 HydrophobicContact CB-CG1 4.19Å; I624-V636 WeakPolarHBondContact CB-O 3.35Å; I624-V636 HydrophobicContact CG2-CG1 4.28Å; I624-V636 PolarHBondContact N-O 2.99Å |
| 625 | G | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | -177.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W555 V636 | W555-G625 CarbonylContact O-C 3.59Å; W555-G625 WeakPolarHBondContact O-CA 3.44Å; G625-V636 PolarHBondContact N-O 3.03Å; G625-V636 VanDerWaalsContact N-O 3.1Å; G625-V636 PolarHBondContact O-N 3.02Å |
| 626 | V | 93 | Very high | 92.2 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 131.3 | -178.1 | -164.5 | 0 | 0 | 0 | 0 | 108.5 | W555 L557 L606 A609 L623 T628 I633 Y634 I635 | W555-V626 PolarHBondContact O-N 3.04Å; L557-V626 PolarHBondContact N-O 2.95Å; L606-V626 HydrophobicContact CD2-CG1 4.1Å; A609-V626 HydrophobicContact CB-CG2 3.61Å; L623-V626 HydrophobicContact CD1-CG2 4.43Å; V626-T628 HydrophobicContact CB-CG2 4.4Å; V626-T628 HydrophobicContact CG1-CG2 3.57Å; V626-I633 HydrophobicContact CG1-CG2 4.44Å; V626-Y634 CarbonylContact C-O 3.59Å; V626-Y634 VanDerWaalsContact CA-O 3.31Å; V626-Y634 WeakPolarHBondContact CA-O 3.35Å; V626-Y634 WeakPolarHBondContact CG1-O 3.49Å; V626-I635 HydrophobicContact CG1-CG1 4.33Å |
| 627 | C | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 94.1 | 173.7 | -49.7 | 0 | 0 | 0 | 0 | 108.8 | L557 H559 I633 Y634 | L557-C627 WeakPolarHBondContact O-CA 3.38Å; H559-C627 VanDerWaalsContact CE1-CB 3.43Å; H559-C627 WeakPolarHBondContact CE1-CB 3.41Å; H559-C627 PolarHBondContact CE1-O 3.1Å; C627-I633 WeakPolarHBondContact O-CA 3.43Å; C627-I633 WeakPolarHBondContact O-CG2 3.34Å; C627-Y634 HydrophobicContact CB-CD2 3.99Å; C627-Y634 HydrophobicContact CB-CG 4.23Å; C627-Y634 PolarHBondContact N-O 3.02Å; C627-Y634 PolarHBondContact O-N 3.01Å; C627-Y634 VanDerWaalsContact O-N 3.1Å |
| 628 | T | 87.9 | Confident | 92.2 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 14% | 0.138 | C | C | . | . | trans | -104.2 | -2.2 | 178.4 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | A463 I464 L606 V626 R630 I633 | A463-T628 PolarHBondContact N-O 2.97Å; I464-T628 HydrophobicContact CG2-CG2 4.09Å; L606-T628 HydrophobicContact CD2-CG2 4.25Å; V626-T628 HydrophobicContact CB-CG2 4.4Å; V626-T628 HydrophobicContact CG1-CG2 3.57Å; T628-R630 VanDerWaalsContact C-N 3.3Å; T628-R630 PolarHBondContact O-N 2.79Å; T628-I633 HydrophobicContact CG2-CG2 4.06Å | ||
| 629 | Q | 82.9 | Confident | 92.1 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -68 | -29.8 | -170 | -63.1 | -57.6 | 93.4 | 0 | 0 | 113.2 | G462 K551 I556 | G462-Q629 WeakPolarHBondContact CA-O 3.47Å; K551-Q629 VanDerWaalsContact NZ-NE2 3.18Å; I556-Q629 HydrophobicContact CG2-CG 4.26Å |
| 630 | R | 84.3 | Confident | 92 | Very high | 119 Ų | 119 | 26.2 Ų | 26.2 | 45% | 0.449 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -145.4 | 171.9 | 172.2 | 62.3 | 173.6 | -177.4 | -140.5 | -4.5 | 111.1 | H559 E560 T628 | H559-R630 HydrophobicContact CB-CG 4.41Å; H559-R630 VanDerWaalsContact CE1-CG 3.46Å; H559-R630 WeakPolarHBondContact CE1-CG 3.49Å; H559-R630 PolarHBondContact CE1-O 3.34Å; H559-R630 WeakPolarHBondContact ND1-CG 3.35Å; H559-R630 PolarHBondContact NE2-O 2.98Å; E560-R630 IonicContact OE1-CZ 3.63Å; E560-R630 IonicContact OE1-NH1 2.78Å; E560-R630 PolarHBondContact OE1-NH1 3.07Å; E560-R630 IonicContact OE1-NH2 3.54Å; E560-R630 PolarHBondContact OE1-NH2 3.37Å; T628-R630 VanDerWaalsContact C-N 3.3Å; T628-R630 PolarHBondContact O-N 2.79Å |
| 631 | Q | 82.9 | Confident | 91.6 | Very high | 44 Ų | 44 | 29.9 Ų | 29.9 | 21% | 0.206 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -82.3 | 155.1 | 167.7 | -65.4 | -70.6 | -8.5 | 0 | 0 | 111.5 | A463 E595 | A463-Q631 HydrophobicContact CB-CG 4.14Å; E595-Q631 HydrophobicContact CG-CB 4.19Å; E595-Q631 HydrophobicContact CG-CG 4.29Å; E595-Q631 WeakPolarHBondContact OE1-CB 3.49Å |
| 632 | P | 88.1 | Confident | 91.3 | Very high | 48 Ų | 48 | 31.3 Ų | 31.3 | 31% | 0.312 | 17% | 0.166 | S | C | . | . | S | Bend | cis | -69.1 | 144.8 | -13.2 | 27.9 | -33.9 | 0 | 0 | 0 | 111.8 | H559 Y634 | H559-P632 PolarHBondContact NE2-O 2.94Å; P632-Y634 HydrophobicContact CB-CE1 4.22Å; P632-Y634 HydrophobicContact CG-CE1 3.64Å |
| 633 | I | 88.3 | Confident | 91.2 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 136.8 | 177.6 | -57 | 176.2 | 0 | 0 | 0 | 110.2 | C593 F605 L606 V626 C627 T628 | C593-I633 PolarHBondContact N-O 3.35Å; F605-I633 HydrophobicContact CD1-CG2 4.48Å; F605-I633 HydrophobicContact CE1-CB 4.15Å; F605-I633 HydrophobicContact CE1-CG2 3.78Å; L606-I633 HydrophobicContact CD2-CG2 4.02Å; V626-I633 HydrophobicContact CG1-CG2 4.44Å; C627-I633 WeakPolarHBondContact O-CA 3.43Å; C627-I633 WeakPolarHBondContact O-CG2 3.34Å; T628-I633 HydrophobicContact CG2-CG2 4.06Å |
| 634 | Y | 93.2 | Very high | 91.2 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.4 | 175.8 | -57.9 | -27.4 | 0 | 0 | 0 | 113.3 | H559 L564 V590 K591 T592 V626 C627 P632 | H559-Y634 AromaticContact CD2-CD2 3.78Å; H559-Y634 AromaticContact CD2-CE2 3.44Å; H559-Y634 VanDerWaalsContact CD2-CE2 3.44Å; H559-Y634 WeakPolarHBondContact CD2-CE2 3.4Å; H559-Y634 AromaticContact CD2-CZ 3.94Å; L564-Y634 HydrophobicContact CD1-CE1 4.45Å; L564-Y634 WeakPolarHBondContact CD1-OH 3.49Å; L564-Y634 HydrophobicContact CD2-CE2 4.42Å; V590-Y634 HydrophobicContact CG1-CD1 3.95Å; V590-Y634 HydrophobicContact CG1-CD2 3.97Å; V590-Y634 HydrophobicContact CG1-CG 3.62Å; K591-Y634 WeakPolarHBondContact O-CA 3.46Å; T592-Y634 HydrophobicContact CG2-CD1 3.73Å; T592-Y634 HydrophobicContact CG2-CE1 3.58Å; V626-Y634 CarbonylContact C-O 3.59Å; V626-Y634 VanDerWaalsContact CA-O 3.31Å; V626-Y634 WeakPolarHBondContact CA-O 3.35Å; V626-Y634 WeakPolarHBondContact CG1-O 3.49Å; C627-Y634 HydrophobicContact CB-CD2 3.99Å; C627-Y634 HydrophobicContact CB-CG 4.23Å; C627-Y634 PolarHBondContact N-O 3.02Å; C627-Y634 PolarHBondContact O-N 3.01Å; C627-Y634 VanDerWaalsContact O-N 3.1Å; P632-Y634 HydrophobicContact CB-CE1 4.22Å; P632-Y634 HydrophobicContact CG-CE1 3.64Å |
| 635 | I | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.3 | 159.6 | -65.6 | 173.5 | 0 | 0 | 0 | 107.2 | K591 F605 E608 A609 L623 V626 M637 | K591-I635 HydrophobicContact CB-CB 4.35Å; K591-I635 PolarHBondContact N-O 2.72Å; K591-I635 PolarHBondContact O-N 3.42Å; F605-I635 HydrophobicContact CD1-CD1 3.92Å; F605-I635 HydrophobicContact CD1-CG1 4.37Å; F605-I635 HydrophobicContact CD2-CD1 4.13Å; F605-I635 HydrophobicContact CE1-CD1 3.7Å; F605-I635 HydrophobicContact CE1-CG1 3.67Å; F605-I635 HydrophobicContact CE2-CD1 3.95Å; F605-I635 HydrophobicContact CE2-CG1 4.27Å; F605-I635 HydrophobicContact CG-CD1 4.14Å; F605-I635 HydrophobicContact CZ-CB 4.16Å; F605-I635 HydrophobicContact CZ-CD1 3.73Å; F605-I635 HydrophobicContact CZ-CG1 3.63Å; F605-I635 WeakPolarHBondContact O-CD1 3.46Å; E608-I635 HydrophobicContact CB-CD1 4.31Å; E608-I635 HydrophobicContact CG-CD1 4.48Å; A609-I635 HydrophobicContact CB-CD1 3.94Å; A609-I635 HydrophobicContact CB-CG1 4.09Å; A609-I635 HydrophobicContact CB-CG2 4.48Å; L623-I635 HydrophobicContact CD1-CG2 3.76Å; V626-I635 HydrophobicContact CG1-CG1 4.33Å; I635-M637 HydrophobicContact CG2-CE 4.39Å; I635-M637 HydrophobicContact CG2-CG 4.03Å; I635-M637 HydrophobicContact CG2-SD 4.25Å |
| 636 | V | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.7 | -176.1 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | L557 V562 L581 V588 A589 V590 I624 G625 | L557-V636 HydrophobicContact CD1-CB 4.08Å; L557-V636 HydrophobicContact CD1-CG1 4.36Å; L557-V636 HydrophobicContact CD1-CG2 4Å; V562-V636 HydrophobicContact CG2-CG2 4.02Å; L581-V636 HydrophobicContact CD2-CG1 4.4Å; V588-V636 HydrophobicContact CB-CG1 3.69Å; V588-V636 HydrophobicContact CG1-CG1 3.95Å; V588-V636 HydrophobicContact CG2-CG1 3.75Å; A589-V636 WeakPolarHBondContact O-CA 3.43Å; V590-V636 HydrophobicContact CG1-CG2 4.49Å; I624-V636 WeakPolarHBondContact CA-O 3.09Å; I624-V636 HydrophobicContact CB-CG1 4.19Å; I624-V636 WeakPolarHBondContact CB-O 3.35Å; I624-V636 HydrophobicContact CG2-CG1 4.28Å; I624-V636 PolarHBondContact N-O 2.99Å; G625-V636 PolarHBondContact N-O 3.03Å; G625-V636 VanDerWaalsContact N-O 3.1Å; G625-V636 PolarHBondContact O-N 3.02Å |
| 637 | M | 95.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 165.2 | -177.6 | -65.2 | 172.1 | -70.5 | 0 | 0 | 110.5 | V588 A589 K591 L612 V621 K622 L623 I635 | V588-M637 WeakPolarHBondContact CA-O 3.19Å; V588-M637 WeakPolarHBondContact CB-O 3.5Å; A589-M637 PolarHBondContact N-O 2.64Å; A589-M637 PolarHBondContact O-N 3.35Å; K591-M637 HydrophobicContact CB-CE 4.13Å; K591-M637 HydrophobicContact CD-CE 4.49Å; L612-M637 HydrophobicContact CD1-SD 4.04Å; V621-M637 HydrophobicContact CG1-SD 4.2Å; V621-M637 HydrophobicContact CG2-CB 4.12Å; V621-M637 HydrophobicContact CG2-SD 4.39Å; K622-M637 CarbonylContact O-C 3.54Å; K622-M637 VanDerWaalsContact O-CA 3.32Å; K622-M637 WeakPolarHBondContact O-CA 3.45Å; L623-M637 HydrophobicContact CD1-CG 4.45Å; I635-M637 HydrophobicContact CG2-CE 4.39Å; I635-M637 HydrophobicContact CG2-CG 4.03Å; I635-M637 HydrophobicContact CG2-SD 4.25Å |
| 638 | E | 94.9 | Very high | 91.8 | Very high | 46 Ų | 46 | 33.6 Ų | 33.6 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 140.2 | 169.4 | 67.9 | 176.5 | 133.9 | 0 | 0 | 111.2 | V621 K622 V640 K699 | V621-E638 HydrophobicContact CG2-CG 3.85Å; K622-E638 HydrophobicContact CB-CB 4.34Å; K622-E638 HydrophobicContact CB-CG 4.02Å; K622-E638 VanDerWaalsContact CB-OE1 3.22Å; K622-E638 WeakPolarHBondContact CB-OE1 3.46Å; K622-E638 PolarHBondContact N-OE1 2.98Å; K622-E638 PolarHBondContact O-N 2.91Å; E638-V640 HydrophobicContact CG-CG2 4.14Å; E638-V640 PolarHBondContact O-N 3Å; E638-K699 IonicContact OE1-NZ 3.04Å; E638-K699 PolarHBondContact OE1-NZ 3.38Å; E638-K699 IonicContact OE2-NZ 2.73Å; E638-K699 PolarHBondContact OE2-NZ 3.14Å |
| 639 | L | 95.1 | Very high | 92.2 | Very high | 45 Ų | 45 | 33.1 Ų | 33.1 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | trans | -81.1 | 113.8 | 173 | -176.9 | 66.2 | 0 | 0 | 0 | 109.8 | L568 K578 P587 A589 | L568-L639 HydrophobicContact CD1-CD1 3.58Å; K578-L639 HydrophobicContact CD-CD2 4.26Å; K578-L639 HydrophobicContact CG-CD2 3.93Å; P587-L639 HydrophobicContact CB-CB 4.38Å; P587-L639 HydrophobicContact CB-CD2 3.85Å; A589-L639 HydrophobicContact CB-CD1 4.21Å | ||
| 640 | V | 94.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | trans | -92.1 | 105.1 | 174.8 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | V621 E638 G642 G643 L691 V692 G693 K699 | V621-V640 HydrophobicContact CG2-CG2 4.46Å; E638-V640 HydrophobicContact CG-CG2 4.14Å; E638-V640 PolarHBondContact O-N 3Å; V640-G642 PolarHBondContact O-N 3.49Å; V640-G643 PolarHBondContact O-N 3.3Å; V640-L691 HydrophobicContact CB-CB 3.79Å; V640-L691 HydrophobicContact CB-CD1 3.87Å; V640-L691 HydrophobicContact CB-CG 4.45Å; V640-L691 HydrophobicContact CG1-CB 3.59Å; V640-L691 HydrophobicContact CG2-CB 4.16Å; V640-L691 HydrophobicContact CG2-CD1 3.8Å; V640-V692 WeakPolarHBondContact CG1-O 3.44Å; V640-G693 VanDerWaalsContact CG1-N 3.31Å; V640-K699 HydrophobicContact CG2-CD 4.2Å | ||
| 641 | S | 89.9 | Confident | 93.4 | Very high | 80 Ų | 80 | 41 Ų | 41 | 56% | 0.559 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.8 | -161.6 | 53.7 | 0 | 0 | 0 | 0 | 116.5 | G643 | S641-G643 VanDerWaalsContact C-N 3.32Å; S641-G643 PolarHBondContact O-N 3.07Å |
| 642 | G | 88.6 | Confident | 93.9 | Very high | 36 Ų | 36 | 42 Ų | 42 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -0.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V640 V692 | V640-G642 PolarHBondContact O-N 3.49Å; G642-V692 CarbonylContact C-O 3.6Å; G642-V692 WeakPolarHBondContact CA-O 3.41Å; G642-V692 PolarHBondContact N-O 3.47Å |
| 643 | G | 92.8 | Very high | 94 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | trans | 71.3 | -162.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V640 S641 L691 V692 | V640-G643 PolarHBondContact O-N 3.3Å; S641-G643 VanDerWaalsContact C-N 3.32Å; S641-G643 PolarHBondContact O-N 3.07Å; G643-L691 VanDerWaalsContact O-CA 3.28Å; G643-L691 WeakPolarHBondContact O-CA 3.21Å; G643-V692 PolarHBondContact O-N 2.69Å | ||
| 644 | D | 94.6 | Very high | 94.2 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 144 | -178.3 | 80.3 | 92.1 | 0 | 0 | 0 | 112.8 | L646 S647 F648 C690 L691 | D644-L646 VanDerWaalsContact C-N 3.32Å; D644-L646 PolarHBondContact O-N 3.08Å; D644-L646 WeakPolarHBondContact OD1-CB 3.32Å; D644-L646 PolarHBondContact OD1-N 3.04Å; D644-S647 VanDerWaalsContact CG-OG 3.28Å; D644-S647 PolarHBondContact O-N 3.46Å; D644-S647 PolarHBondContact OD1-N 2.99Å; D644-S647 PolarHBondContact OD1-OG 3.39Å; D644-S647 WeakPolarHBondContact OD2-CB 3.35Å; D644-S647 PolarHBondContact OD2-OG 3.45Å; D644-F648 WeakPolarHBondContact O-CB 3.39Å; D644-F648 PolarHBondContact O-N 2.91Å; D644-C690 CarbonylContact C-O 3.56Å; D644-C690 WeakPolarHBondContact CA-O 3.49Å; D644-L691 HydrophobicContact CB-CD2 4.32Å |
| 645 | F | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.3 | -29.7 | -171.7 | 179.3 | -132.8 | 0 | 0 | 0 | 112.4 | F648 L649 F664 A687 C690 V692 L698 L749 T753 | F645-F648 HydrophobicContact CD2-CD1 4.22Å; F645-F648 HydrophobicContact CE2-CD1 4.45Å; F645-F648 PolarHBondContact O-N 3Å; F645-L649 HydrophobicContact CD1-CD1 4.09Å; F645-L649 HydrophobicContact CD2-CD1 4.33Å; F645-L649 HydrophobicContact CD2-CD2 4.45Å; F645-L649 HydrophobicContact CD2-CG 3.96Å; F645-L649 HydrophobicContact CE1-CD1 3.82Å; F645-L649 HydrophobicContact CE1-CG 4.33Å; F645-L649 HydrophobicContact CE2-CD1 4.07Å; F645-L649 HydrophobicContact CE2-CD2 3.67Å; F645-L649 HydrophobicContact CE2-CG 3.66Å; F645-L649 HydrophobicContact CG-CD1 4.35Å; F645-L649 HydrophobicContact CG-CG 4.43Å; F645-L649 HydrophobicContact CZ-CD1 3.82Å; F645-L649 HydrophobicContact CZ-CD2 3.76Å; F645-L649 HydrophobicContact CZ-CG 3.87Å; F645-L649 WeakPolarHBondContact O-CB 3.25Å; F645-L649 VanDerWaalsContact O-CG 3.23Å; F645-L649 WeakPolarHBondContact O-CG 3.32Å; F645-L649 PolarHBondContact O-N 3.29Å; F645-F664 HydrophobicContact CE2-CB 4.08Å; F645-F664 HydrophobicContact CE2-CD1 4.3Å; F645-F664 AromaticContact CE2-CD2 3.51Å; F645-F664 HydrophobicContact CE2-CD2 3.51Å; F645-F664 AromaticContact CE2-CE2 3.88Å; F645-F664 HydrophobicContact CE2-CE2 3.88Å; F645-F664 AromaticContact CE2-CG 3.74Å; F645-F664 HydrophobicContact CE2-CG 3.74Å; F645-F664 HydrophobicContact CE2-CZ 4.38Å; F645-F664 HydrophobicContact CZ-CB 3.71Å; F645-F664 AromaticContact CZ-CD2 3.84Å; F645-F664 HydrophobicContact CZ-CD2 3.84Å; F645-F664 AromaticContact CZ-CG 3.89Å; F645-F664 HydrophobicContact CZ-CG 3.89Å; F645-A687 WeakPolarHBondContact CB-O 3.41Å; F645-A687 HydrophobicContact CD1-CB 4.05Å; F645-A687 PolarHBondContact N-O 3.47Å; F645-C690 HydrophobicContact CB-CB 3.79Å; F645-C690 WeakPolarHBondContact CB-O 3.5Å; F645-C690 HydrophobicContact CD1-CB 4.26Å; F645-C690 HydrophobicContact CG-CB 4.4Å; F645-C690 PolarHBondContact N-O 3.44Å; F645-V692 HydrophobicContact CB-CG2 4.04Å; F645-V692 HydrophobicContact CD2-CG2 3.53Å; F645-V692 HydrophobicContact CE2-CG2 4.4Å; F645-V692 HydrophobicContact CG-CG2 4.19Å; F645-L698 HydrophobicContact CD1-CD1 3.64Å; F645-L698 HydrophobicContact CD2-CD1 4.2Å; F645-L698 HydrophobicContact CE1-CD1 3.68Å; F645-L698 HydrophobicContact CE2-CD1 4.24Å; F645-L698 HydrophobicContact CG-CD1 3.89Å; F645-L698 HydrophobicContact CZ-CD1 3.99Å; F645-L749 HydrophobicContact CD1-CD1 4.18Å; F645-L749 HydrophobicContact CE1-CD1 4.24Å; F645-T753 HydrophobicContact CE1-CG2 4.41Å; F645-T753 WeakPolarHBondContact CE1-OG1 3.36Å; F645-T753 HydrophobicContact CZ-CG2 3.96Å |
| 646 | L | 97 | Very high | 94.1 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.3 | -49.6 | 175.8 | 178.6 | 62.9 | 0 | 0 | 0 | 111.5 | D644 F648 L649 R650 A687 R688 | D644-L646 VanDerWaalsContact C-N 3.32Å; D644-L646 PolarHBondContact O-N 3.08Å; D644-L646 WeakPolarHBondContact OD1-CB 3.32Å; D644-L646 PolarHBondContact OD1-N 3.04Å; L646-F648 VanDerWaalsContact C-N 3.3Å; L646-F648 PolarHBondContact O-N 3.46Å; L646-L649 PolarHBondContact O-N 3.12Å; L646-R650 WeakPolarHBondContact O-CG 3.39Å; L646-R650 PolarHBondContact O-N 2.88Å; L646-R650 VanDerWaalsContact O-N 3.17Å; L646-A687 HydrophobicContact CB-CB 3.92Å; L646-A687 HydrophobicContact CD1-CB 4.36Å; L646-A687 PolarHBondContact N-O 3.34Å; L646-R688 HydrophobicContact CB-CB 4.46Å; L646-R688 HydrophobicContact CD2-CB 4.3Å |
| 647 | S | 95.1 | Very high | 94 | Very high | 65 Ų | 65 | 64.1 Ų | 64.1 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | D644 R650 K651 | D644-S647 VanDerWaalsContact CG-OG 3.28Å; D644-S647 PolarHBondContact O-N 3.46Å; D644-S647 PolarHBondContact OD1-N 2.99Å; D644-S647 PolarHBondContact OD1-OG 3.39Å; D644-S647 WeakPolarHBondContact OD2-CB 3.35Å; D644-S647 PolarHBondContact OD2-OG 3.45Å; S647-R650 PolarHBondContact O-N 3.48Å; S647-K651 VanDerWaalsContact O-CB 3.25Å; S647-K651 WeakPolarHBondContact O-CB 3.47Å; S647-K651 PolarHBondContact O-N 3.26Å |
| 648 | F | 95.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.8 | -177.8 | -89.3 | 0 | 0 | 0 | 112.2 | D644 F645 L646 R650 K651 K652 L656 F664 V692 | D644-F648 WeakPolarHBondContact O-CB 3.39Å; D644-F648 PolarHBondContact O-N 2.91Å; F645-F648 HydrophobicContact CD2-CD1 4.22Å; F645-F648 HydrophobicContact CE2-CD1 4.45Å; F645-F648 PolarHBondContact O-N 3Å; L646-F648 VanDerWaalsContact C-N 3.3Å; L646-F648 PolarHBondContact O-N 3.46Å; F648-R650 VanDerWaalsContact C-N 3.32Å; F648-R650 PolarHBondContact O-N 3.44Å; F648-K651 PolarHBondContact O-N 3.41Å; F648-K652 HydrophobicContact CD2-CG 4.46Å; F648-K652 HydrophobicContact CE2-CG 4.2Å; F648-K652 HydrophobicContact CZ-CG 4.29Å; F648-K652 WeakPolarHBondContact O-CB 3.48Å; F648-K652 PolarHBondContact O-N 3.5Å; F648-L656 HydrophobicContact CE1-CD1 4.31Å; F648-L656 HydrophobicContact CE1-CD2 3.89Å; F648-L656 HydrophobicContact CZ-CD2 4.48Å; F648-F664 HydrophobicContact CD1-CE2 4.46Å; F648-F664 HydrophobicContact CD1-CZ 4.35Å; F648-F664 AromaticContact CE1-CE2 3.79Å; F648-F664 HydrophobicContact CE1-CE2 3.79Å; F648-F664 AromaticContact CE1-CZ 3.58Å; F648-F664 HydrophobicContact CE1-CZ 3.58Å; F648-F664 HydrophobicContact CZ-CZ 4.12Å; F648-V692 HydrophobicContact CB-CG2 4.17Å; F648-V692 HydrophobicContact CD1-CG2 4.01Å; F648-V692 HydrophobicContact CD2-CB 4.2Å; F648-V692 HydrophobicContact CD2-CG1 4.25Å; F648-V692 HydrophobicContact CD2-CG2 4.32Å; F648-V692 HydrophobicContact CE1-CG1 4.39Å; F648-V692 HydrophobicContact CE1-CG2 4.49Å; F648-V692 HydrophobicContact CE2-CB 4.48Å; F648-V692 HydrophobicContact CE2-CG1 4.02Å; F648-V692 HydrophobicContact CG-CB 4.3Å; F648-V692 HydrophobicContact CG-CG2 3.92Å; F648-V692 HydrophobicContact CZ-CG1 4.1Å |
| 649 | L | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.4 | -45.8 | 177.4 | -75.5 | 168.5 | 0 | 0 | 0 | 111.6 | F645 L646 K653 L656 L661 | F645-L649 HydrophobicContact CD1-CD1 4.09Å; F645-L649 HydrophobicContact CD2-CD1 4.33Å; F645-L649 HydrophobicContact CD2-CD2 4.45Å; F645-L649 HydrophobicContact CD2-CG 3.96Å; F645-L649 HydrophobicContact CE1-CD1 3.82Å; F645-L649 HydrophobicContact CE1-CG 4.33Å; F645-L649 HydrophobicContact CE2-CD1 4.07Å; F645-L649 HydrophobicContact CE2-CD2 3.67Å; F645-L649 HydrophobicContact CE2-CG 3.66Å; F645-L649 HydrophobicContact CG-CD1 4.35Å; F645-L649 HydrophobicContact CG-CG 4.43Å; F645-L649 HydrophobicContact CZ-CD1 3.82Å; F645-L649 HydrophobicContact CZ-CD2 3.76Å; F645-L649 HydrophobicContact CZ-CG 3.87Å; F645-L649 WeakPolarHBondContact O-CB 3.25Å; F645-L649 VanDerWaalsContact O-CG 3.23Å; F645-L649 WeakPolarHBondContact O-CG 3.32Å; F645-L649 PolarHBondContact O-N 3.29Å; L646-L649 PolarHBondContact O-N 3.12Å; L649-K653 WeakPolarHBondContact O-CA 3.41Å; L649-K653 WeakPolarHBondContact O-CB 3.36Å; L649-K653 PolarHBondContact O-N 3.49Å; L649-L656 HydrophobicContact CD2-CD1 3.89Å; L649-L661 HydrophobicContact CD2-CD2 3.8Å |
| 650 | R | 96.3 | Very high | 93.7 | Very high | 129 Ų | 129 | 71.8 Ų | 71.8 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | -179.1 | -70.5 | 175.8 | 176.5 | 175.7 | 1.7 | 112.5 | L646 S647 F648 G757 | L646-R650 WeakPolarHBondContact O-CG 3.39Å; L646-R650 PolarHBondContact O-N 2.88Å; L646-R650 VanDerWaalsContact O-N 3.17Å; S647-R650 PolarHBondContact O-N 3.48Å; F648-R650 VanDerWaalsContact C-N 3.32Å; F648-R650 PolarHBondContact O-N 3.44Å; R650-G757 VanDerWaalsContact CZ-O 3.32Å; R650-G757 PolarHBondContact NE-O 3.39Å; R650-G757 PolarHBondContact NH2-O 3.42Å |
| 651 | K | 94.6 | Very high | 93.8 | Very high | 176 Ų | 176 | 71.6 Ų | 71.6 | 77% | 0.765 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -69.6 | -34.1 | -179.4 | -175 | 175.8 | -179.9 | 178.1 | 0 | 112.3 | S647 F648 | S647-K651 VanDerWaalsContact O-CB 3.25Å; S647-K651 WeakPolarHBondContact O-CB 3.47Å; S647-K651 PolarHBondContact O-N 3.26Å; F648-K651 PolarHBondContact O-N 3.41Å |
| 652 | K | 93.2 | Very high | 94 | Very high | 65 Ų | 65 | 68 Ų | 68 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 12.3 | -174.8 | -66 | -67.4 | -171.5 | 173.9 | 0 | 114 | F648 D654 E655 L656 | F648-K652 HydrophobicContact CD2-CG 4.46Å; F648-K652 HydrophobicContact CE2-CG 4.2Å; F648-K652 HydrophobicContact CZ-CG 4.29Å; F648-K652 WeakPolarHBondContact O-CB 3.48Å; F648-K652 PolarHBondContact O-N 3.5Å; K652-D654 PolarHBondContact O-N 3.26Å; K652-E655 VanDerWaalsContact CD-CD 3.47Å; K652-E655 HydrophobicContact CD-CG 4.45Å; K652-E655 WeakPolarHBondContact CD-OE1 3.49Å; K652-E655 WeakPolarHBondContact CD-OE2 3.49Å; K652-E655 IonicContact NZ-OE1 3.74Å; K652-E655 PolarHBondContact NZ-OE1 3.01Å; K652-E655 IonicContact NZ-OE2 3.58Å; K652-E655 PolarHBondContact NZ-OE2 3.3Å; K652-E655 PolarHBondContact O-N 3Å; K652-L656 HydrophobicContact CB-CD1 4Å; K652-L656 HydrophobicContact CB-CD2 4.47Å; K652-L656 HydrophobicContact CB-CG 3.92Å; K652-L656 VanDerWaalsContact O-CG 3.28Å; K652-L656 WeakPolarHBondContact O-CG 3.44Å; K652-L656 PolarHBondContact O-N 3.36Å |
| 653 | K | 91.7 | Very high | 94.4 | Very high | 104 Ų | 104 | 70.9 Ų | 70.9 | 45% | 0.452 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -35.2 | -173 | 71 | 178.3 | -173.4 | 175 | 0 | 114.4 | L649 L756 | L649-K653 WeakPolarHBondContact O-CA 3.41Å; L649-K653 WeakPolarHBondContact O-CB 3.36Å; L649-K653 PolarHBondContact O-N 3.49Å; K653-L756 HydrophobicContact CB-CB 4.17Å; K653-L756 HydrophobicContact CB-CD1 4.04Å |
| 654 | D | 91 | Very high | 94.6 | Very high | 138 Ų | 138 | 69.4 Ų | 69.4 | 74% | 0.738 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -17.7 | -176.8 | -57.5 | -51.3 | 0 | 0 | 0 | 112.8 | K652 | K652-D654 PolarHBondContact O-N 3.26Š|
| 655 | E | 92.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 67.3 Ų | 67.3 | 58% | 0.579 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -23.8 | 178.9 | -62.9 | 175.1 | -136.8 | 0 | 0 | 112.4 | K652 K657 | K652-E655 VanDerWaalsContact CD-CD 3.47Å; K652-E655 HydrophobicContact CD-CG 4.45Å; K652-E655 WeakPolarHBondContact CD-OE1 3.49Å; K652-E655 WeakPolarHBondContact CD-OE2 3.49Å; K652-E655 IonicContact NZ-OE1 3.74Å; K652-E655 PolarHBondContact NZ-OE1 3.01Å; K652-E655 IonicContact NZ-OE2 3.58Å; K652-E655 PolarHBondContact NZ-OE2 3.3Å; K652-E655 PolarHBondContact O-N 3Å; E655-K657 PolarHBondContact O-N 3.01Å |
| 656 | L | 93.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | trans | -77 | 117.4 | -172.2 | -71.6 | 172.5 | 0 | 0 | 0 | 112.6 | F648 L649 K652 Q660 L661 F664 L756 | F648-L656 HydrophobicContact CE1-CD1 4.31Å; F648-L656 HydrophobicContact CE1-CD2 3.89Å; F648-L656 HydrophobicContact CZ-CD2 4.48Å; L649-L656 HydrophobicContact CD2-CD1 3.89Å; K652-L656 HydrophobicContact CB-CD1 4Å; K652-L656 HydrophobicContact CB-CD2 4.47Å; K652-L656 HydrophobicContact CB-CG 3.92Å; K652-L656 VanDerWaalsContact O-CG 3.28Å; K652-L656 WeakPolarHBondContact O-CG 3.44Å; K652-L656 PolarHBondContact O-N 3.36Å; L656-Q660 VanDerWaalsContact CD2-CD 3.44Å; L656-Q660 HydrophobicContact CD2-CG 4.12Å; L656-L661 HydrophobicContact CB-CD2 4.24Å; L656-L661 HydrophobicContact CD1-CD2 4.19Å; L656-F664 HydrophobicContact CD2-CE2 4.12Å; L656-L756 HydrophobicContact CB-CD2 4.48Å; L656-L756 HydrophobicContact CD1-CD2 4.43Å | ||
| 657 | K | 93.2 | Very high | 94.8 | Very high | 161 Ų | 161 | 67.6 Ų | 67.6 | 70% | 0.7 | 31% | 0.314 | S | S | * | . | trans | -88.4 | 151 | 174 | -59.7 | -175.6 | -178 | -179 | 0 | 110.9 | E655 K659 Q660 L661 | E655-K657 PolarHBondContact O-N 3.01Å; K657-K659 PolarHBondContact O-N 3.07Å; K657-K659 VanDerWaalsContact O-N 3.13Å; K657-Q660 WeakPolarHBondContact O-CA 3.29Å; K657-Q660 WeakPolarHBondContact O-CB 3.44Å; K657-Q660 PolarHBondContact O-N 3.21Å; K657-L661 PolarHBondContact O-N 3.25Å | ||
| 658 | T | 92.6 | Very high | 95 | Very high | 61 Ų | 61 | 64.5 Ų | 64.5 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -50.7 | -41.1 | 177.9 | -49.6 | 0 | 0 | 0 | 0 | 113.1 | Q660 L661 V662 F754 P786 | T658-Q660 PolarHBondContact O-N 3.33Å; T658-L661 WeakPolarHBondContact O-CB 3.4Å; T658-L661 PolarHBondContact O-N 3.44Å; T658-L661 VanDerWaalsContact O-N 3.14Å; T658-V662 HydrophobicContact CG2-CG2 4.48Å; T658-V662 WeakPolarHBondContact O-CG2 3.38Å; T658-V662 PolarHBondContact O-N 3.45Å; T658-F754 HydrophobicContact CG2-CE1 4.25Å; T658-P786 HydrophobicContact CG2-CG 3.51Å |
| 659 | K | 92.4 | Very high | 95.1 | Very high | 153 Ų | 153 | 63.1 Ų | 63.1 | 67% | 0.665 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.9 | -35.6 | 176.6 | -174.2 | 174.6 | -176.2 | 171.9 | 0 | 113 | K657 R663 | K657-K659 PolarHBondContact O-N 3.07Å; K657-K659 VanDerWaalsContact O-N 3.13Å; K659-R663 PolarHBondContact O-N 2.83Å; K659-R663 VanDerWaalsContact O-N 3.14Å |
| 660 | Q | 94 | Very high | 95.2 | Very high | 47 Ų | 47 | 63.6 Ų | 63.6 | 22% | 0.22 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -75.3 | -39.8 | 177.4 | -172.5 | 173.6 | -8 | 0 | 0 | 111.3 | L656 K657 T658 V662 R663 F664 N696 | L656-Q660 VanDerWaalsContact CD2-CD 3.44Å; L656-Q660 HydrophobicContact CD2-CG 4.12Å; K657-Q660 WeakPolarHBondContact O-CA 3.29Å; K657-Q660 WeakPolarHBondContact O-CB 3.44Å; K657-Q660 PolarHBondContact O-N 3.21Å; T658-Q660 PolarHBondContact O-N 3.33Å; Q660-V662 VanDerWaalsContact C-N 3.34Å; Q660-V662 PolarHBondContact O-N 2.91Å; Q660-R663 WeakPolarHBondContact O-CB 3.02Å; Q660-R663 PolarHBondContact O-N 2.83Å; Q660-R663 VanDerWaalsContact O-N 3.09Å; Q660-F664 HydrophobicContact CG-CD2 4.27Å; Q660-F664 HydrophobicContact CG-CE2 3.7Å; Q660-F664 HydrophobicContact CG-CZ 4.09Å; Q660-F664 VanDerWaalsContact O-CD2 3.31Å; Q660-F664 WeakPolarHBondContact O-CD2 3.43Å; Q660-F664 PolarHBondContact O-N 2.98Å; Q660-N696 PolarHBondContact NE2-ND2 3.17Å; Q660-N696 VanDerWaalsContact NE2-ND2 3.15Å |
| 661 | L | 96.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 173.3 | -60.6 | -180 | 0 | 0 | 0 | 111.8 | L649 L656 K657 T658 R663 F664 A665 T753 F754 L756 | L649-L661 HydrophobicContact CD2-CD2 3.8Å; L656-L661 HydrophobicContact CB-CD2 4.24Å; L656-L661 HydrophobicContact CD1-CD2 4.19Å; K657-L661 PolarHBondContact O-N 3.25Å; T658-L661 WeakPolarHBondContact O-CB 3.4Å; T658-L661 PolarHBondContact O-N 3.44Å; T658-L661 VanDerWaalsContact O-N 3.14Å; L661-R663 VanDerWaalsContact C-N 3.29Å; L661-R663 PolarHBondContact O-N 2.88Å; L661-F664 PolarHBondContact O-N 3Å; L661-A665 PolarHBondContact O-N 3.11Å; L661-T753 HydrophobicContact CB-CG2 3.94Å; L661-T753 HydrophobicContact CD2-CG2 4Å; L661-T753 HydrophobicContact CG-CG2 4.49Å; L661-F754 HydrophobicContact CB-CD1 4.29Å; L661-F754 HydrophobicContact CB-CE1 3.85Å; L661-F754 HydrophobicContact CB-CZ 4.05Å; L661-F754 HydrophobicContact CD1-CD1 4.13Å; L661-F754 HydrophobicContact CD1-CE1 4.43Å; L661-L756 HydrophobicContact CD1-CD2 3.96Å; L661-L756 HydrophobicContact CD2-CD2 4.1Å |
| 662 | V | 95.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | 174.2 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | T658 Q660 A665 V666 F754 V789 I817 K818 | T658-V662 HydrophobicContact CG2-CG2 4.48Å; T658-V662 WeakPolarHBondContact O-CG2 3.38Å; T658-V662 PolarHBondContact O-N 3.45Å; Q660-V662 VanDerWaalsContact C-N 3.34Å; Q660-V662 PolarHBondContact O-N 2.91Å; V662-A665 WeakPolarHBondContact O-CB 3.08Å; V662-A665 PolarHBondContact O-N 3.35Å; V662-V666 WeakPolarHBondContact O-CG2 3.48Å; V662-V666 PolarHBondContact O-N 3.3Å; V662-F754 HydrophobicContact CG2-CE1 4.1Å; V662-F754 HydrophobicContact CG2-CZ 3.81Å; V662-V789 HydrophobicContact CG2-CG2 4.43Å; V662-I817 HydrophobicContact CG1-CG2 4.46Å; V662-I817 HydrophobicContact CG2-CG2 4.45Å; V662-K818 HydrophobicContact CG1-CB 3.77Å; V662-K818 HydrophobicContact CG1-CG 4.34Å |
| 663 | R | 95.6 | Very high | 95.7 | Very high | 96 Ų | 96 | 46.8 Ų | 46.8 | 36% | 0.362 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 175 | -179 | 177.4 | 178.4 | 168.4 | -3.2 | 111.7 | K659 Q660 L661 A665 V666 D667 | K659-R663 PolarHBondContact O-N 2.83Å; K659-R663 VanDerWaalsContact O-N 3.14Å; Q660-R663 WeakPolarHBondContact O-CB 3.02Å; Q660-R663 PolarHBondContact O-N 2.83Å; Q660-R663 VanDerWaalsContact O-N 3.09Å; L661-R663 VanDerWaalsContact C-N 3.29Å; L661-R663 PolarHBondContact O-N 2.88Å; R663-A665 VanDerWaalsContact C-N 3.31Å; R663-A665 PolarHBondContact O-N 3.33Å; R663-V666 PolarHBondContact O-N 2.81Å; R663-D667 PolarHBondContact O-N 3.1Å |
| 664 | F | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | 175.4 | -66.6 | -48.3 | 0 | 0 | 0 | 112.3 | F645 F648 L656 Q660 L661 V666 D667 A668 V692 N696 L698 | F645-F664 HydrophobicContact CE2-CB 4.08Å; F645-F664 HydrophobicContact CE2-CD1 4.3Å; F645-F664 AromaticContact CE2-CD2 3.51Å; F645-F664 HydrophobicContact CE2-CD2 3.51Å; F645-F664 AromaticContact CE2-CE2 3.88Å; F645-F664 HydrophobicContact CE2-CE2 3.88Å; F645-F664 AromaticContact CE2-CG 3.74Å; F645-F664 HydrophobicContact CE2-CG 3.74Å; F645-F664 HydrophobicContact CE2-CZ 4.38Å; F645-F664 HydrophobicContact CZ-CB 3.71Å; F645-F664 AromaticContact CZ-CD2 3.84Å; F645-F664 HydrophobicContact CZ-CD2 3.84Å; F645-F664 AromaticContact CZ-CG 3.89Å; F645-F664 HydrophobicContact CZ-CG 3.89Å; F648-F664 HydrophobicContact CD1-CE2 4.46Å; F648-F664 HydrophobicContact CD1-CZ 4.35Å; F648-F664 AromaticContact CE1-CE2 3.79Å; F648-F664 HydrophobicContact CE1-CE2 3.79Å; F648-F664 AromaticContact CE1-CZ 3.58Å; F648-F664 HydrophobicContact CE1-CZ 3.58Å; F648-F664 HydrophobicContact CZ-CZ 4.12Å; L656-F664 HydrophobicContact CD2-CE2 4.12Å; Q660-F664 HydrophobicContact CG-CD2 4.27Å; Q660-F664 HydrophobicContact CG-CE2 3.7Å; Q660-F664 HydrophobicContact CG-CZ 4.09Å; Q660-F664 VanDerWaalsContact O-CD2 3.31Å; Q660-F664 WeakPolarHBondContact O-CD2 3.43Å; Q660-F664 PolarHBondContact O-N 2.98Å; L661-F664 PolarHBondContact O-N 3Å; F664-V666 PolarHBondContact O-N 2.89Å; F664-D667 PolarHBondContact O-N 3.32Å; F664-A668 WeakPolarHBondContact O-CB 3.43Å; F664-A668 PolarHBondContact O-N 2.9Å; F664-V692 HydrophobicContact CE1-CG1 3.9Å; F664-V692 HydrophobicContact CE1-CG2 4.32Å; F664-V692 HydrophobicContact CZ-CG1 4.12Å; F664-N696 HydrophobicContact CE1-CB 3.87Å; F664-N696 WeakPolarHBondContact CE1-O 3.28Å; F664-N696 HydrophobicContact CZ-CB 3.88Å; F664-L698 HydrophobicContact CB-CD1 3.98Å; F664-L698 HydrophobicContact CD1-CB 3.87Å; F664-L698 HydrophobicContact CD1-CD1 4.38Å; F664-L698 HydrophobicContact CG-CD1 4.47Å |
| 665 | A | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L661 V662 R663 A668 A669 Y746 L750 F754 L814 | L661-A665 PolarHBondContact O-N 3.11Å; V662-A665 WeakPolarHBondContact O-CB 3.08Å; V662-A665 PolarHBondContact O-N 3.35Å; R663-A665 VanDerWaalsContact C-N 3.31Å; R663-A665 PolarHBondContact O-N 3.33Å; A665-A668 PolarHBondContact O-N 3.28Å; A665-A669 PolarHBondContact O-N 2.87Å; A665-Y746 PolarHBondContact O-OH 2.91Å; A665-L750 HydrophobicContact CB-CD2 3.45Å; A665-L750 VanDerWaalsContact CB-CD2 3.45Å; A665-F754 HydrophobicContact CB-CE2 4.5Å; A665-L814 HydrophobicContact CB-CD1 4.11Å; A665-L814 HydrophobicContact CB-CD2 4.44Å |
| 666 | V | 97.8 | Very high | 96.5 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | V662 R663 F664 A669 A670 L814 A815 K818 | V662-V666 WeakPolarHBondContact O-CG2 3.48Å; V662-V666 PolarHBondContact O-N 3.3Å; R663-V666 PolarHBondContact O-N 2.81Å; F664-V666 PolarHBondContact O-N 2.89Å; V666-A669 PolarHBondContact O-N 3.49Å; V666-A670 WeakPolarHBondContact O-CB 3.48Å; V666-A670 PolarHBondContact O-N 3.22Å; V666-L814 HydrophobicContact CG2-CB 3.67Å; V666-A815 HydrophobicContact CG2-CB 4.47Å; V666-K818 HydrophobicContact CG2-CD 4.46Å |
| 667 | D | 98.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 177.9 | -76.3 | 2.4 | 0 | 0 | 0 | 111.1 | N619 R663 F664 A670 G671 L698 | N619-D667 VanDerWaalsContact CB-O 3.25Å; N619-D667 WeakPolarHBondContact CB-O 3.41Å; N619-D667 VanDerWaalsContact CG-O 3.25Å; N619-D667 VanDerWaalsContact ND2-CB 3.29Å; N619-D667 WeakPolarHBondContact ND2-CB 2.94Å; R663-D667 PolarHBondContact O-N 3.1Å; F664-D667 PolarHBondContact O-N 3.32Å; D667-A670 PolarHBondContact O-N 3.23Å; D667-G671 PolarHBondContact O-N 3.03Å; D667-L698 HydrophobicContact CB-CB 3.88Å; D667-L698 PolarHBondContact OD2-N 2.9Å; D667-L698 VanDerWaalsContact OD2-N 3.09Å |
| 668 | A | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F664 A665 A670 G671 M672 L698 Y746 L749 | F664-A668 WeakPolarHBondContact O-CB 3.43Å; F664-A668 PolarHBondContact O-N 2.9Å; A665-A668 PolarHBondContact O-N 3.28Å; A668-A670 VanDerWaalsContact C-N 3.34Å; A668-A670 PolarHBondContact O-N 3.45Å; A668-G671 PolarHBondContact O-N 3.11Å; A668-M672 WeakPolarHBondContact O-CG 3.36Å; A668-M672 PolarHBondContact O-N 3.46Å; A668-L698 HydrophobicContact CB-CD2 3.79Å; A668-Y746 HydrophobicContact CB-CE2 3.87Å; A668-L749 HydrophobicContact CB-CD2 3.84Å |
| 669 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A665 V666 M672 A673 Y746 Q811 | A665-A669 PolarHBondContact O-N 2.87Å; V666-A669 PolarHBondContact O-N 3.49Å; A669-M672 PolarHBondContact O-N 2.95Å; A669-A673 VanDerWaalsContact O-CB 3.3Å; A669-A673 WeakPolarHBondContact O-CB 3.37Å; A669-A673 PolarHBondContact O-N 3.18Å; A669-Y746 HydrophobicContact CB-CE2 4.17Å; A669-Y746 WeakPolarHBondContact CB-OH 3.46Å; A669-Q811 HydrophobicContact CB-CB 3.87Å; A669-Q811 HydrophobicContact CB-CG 4.35Å |
| 670 | A | 98.4 | Very high | 97 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -44 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V666 D667 A668 A673 Y674 Q811 | V666-A670 WeakPolarHBondContact O-CB 3.48Å; V666-A670 PolarHBondContact O-N 3.22Å; D667-A670 PolarHBondContact O-N 3.23Å; A668-A670 VanDerWaalsContact C-N 3.34Å; A668-A670 PolarHBondContact O-N 3.45Å; A670-A673 PolarHBondContact O-N 3.45Å; A670-Y674 PolarHBondContact O-N 3.36Å; A670-Q811 HydrophobicContact CB-CG 4.4Å |
| 671 | G | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.5 | -47.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D667 A668 A673 Y674 L675 | D667-G671 PolarHBondContact O-N 3.03Å; A668-G671 PolarHBondContact O-N 3.11Å; G671-A673 PolarHBondContact O-N 3.09Å; G671-Y674 WeakPolarHBondContact O-CB 3.5Å; G671-Y674 PolarHBondContact O-N 3.5Å; G671-L675 WeakPolarHBondContact O-CG 3.44Å; G671-L675 PolarHBondContact O-N 3.36Å |
| 672 | M | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68 | -34.8 | 179.4 | -69.5 | -55.7 | -56.6 | 0 | 0 | 113.4 | A668 A669 Y674 L675 E676 H682 L685 I700 D742 F807 | A668-M672 WeakPolarHBondContact O-CG 3.36Å; A668-M672 PolarHBondContact O-N 3.46Å; A669-M672 PolarHBondContact O-N 2.95Å; M672-Y674 VanDerWaalsContact C-N 3.29Å; M672-Y674 PolarHBondContact O-N 2.78Å; M672-L675 HydrophobicContact CE-CD1 4.35Å; M672-L675 PolarHBondContact O-N 2.94Å; M672-L675 HydrophobicContact SD-CD1 3.85Å; M672-E676 WeakPolarHBondContact O-CB 3.17Å; M672-E676 PolarHBondContact O-N 3.46Å; M672-H682 HydrophobicContact CE-CB 4.03Å; M672-H682 HydrophobicContact SD-CB 4.38Å; M672-L685 HydrophobicContact CE-CD2 4.21Å; M672-L685 HydrophobicContact CG-CD1 4.43Å; M672-L685 HydrophobicContact CG-CD2 3.8Å; M672-L685 HydrophobicContact SD-CD1 3.93Å; M672-L685 HydrophobicContact SD-CD2 3.78Å; M672-L685 HydrophobicContact SD-CG 4.36Å; M672-I700 HydrophobicContact CG-CD1 3.71Å; M672-I700 HydrophobicContact SD-CD1 3.62Å; M672-D742 HydrophobicContact CE-CB 3.65Å; M672-F807 HydrophobicContact CB-CB 4.42Å; M672-F807 HydrophobicContact CB-CD1 3.38Å; M672-F807 HydrophobicContact CB-CD2 3.86Å; M672-F807 HydrophobicContact CB-CE1 3.37Å; M672-F807 HydrophobicContact CB-CE2 3.85Å; M672-F807 HydrophobicContact CB-CG 3.63Å; M672-F807 HydrophobicContact CB-CZ 3.61Å; M672-F807 HydrophobicContact CE-CE2 3.75Å; M672-F807 HydrophobicContact CE-CZ 3.68Å; M672-F807 HydrophobicContact CG-CD1 4.25Å; M672-F807 HydrophobicContact CG-CE1 3.76Å; M672-F807 HydrophobicContact CG-CE2 4.48Å; M672-F807 HydrophobicContact CG-CZ 3.89Å |
| 673 | A | 98.3 | Very high | 96.9 | Very high | 16 Ų | 16 | 23 Ų | 23 | 13% | 0.132 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A669 A670 G671 S677 F807 | A669-A673 VanDerWaalsContact O-CB 3.3Å; A669-A673 WeakPolarHBondContact O-CB 3.37Å; A669-A673 PolarHBondContact O-N 3.18Å; A670-A673 PolarHBondContact O-N 3.45Å; G671-A673 PolarHBondContact O-N 3.09Å; A673-S677 PolarHBondContact O-N 3.27Å; A673-F807 HydrophobicContact CB-CB 3.81Å |
| 674 | Y | 98.2 | Very high | 96.8 | Very high | 41 Ų | 41 | 19 Ų | 19 | 16% | 0.161 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 172.6 | 178.1 | -95.5 | 0 | 0 | 0 | 111.5 | Y615 D616 H617 I620 A670 G671 M672 S677 K678 | Y615-Y674 AromaticContact CD1-CE1 3.98Å; Y615-Y674 HydrophobicContact CD1-CE1 3.98Å; Y615-Y674 AromaticContact CG-CE1 3.94Å; Y615-Y674 HydrophobicContact CG-CE1 3.94Å; D616-Y674 PolarHBondContact N-OH 3Å; H617-Y674 HydrophobicContact CB-CD1 3.77Å; H617-Y674 HydrophobicContact CB-CD2 4.13Å; H617-Y674 HydrophobicContact CB-CE1 3.98Å; H617-Y674 HydrophobicContact CB-CE2 4.31Å; H617-Y674 HydrophobicContact CB-CG 3.85Å; H617-Y674 AromaticContact CD2-CD2 3.7Å; H617-Y674 AromaticContact CD2-CG 3.72Å; H617-Y674 AromaticContact CG-CG 3.76Å; I620-Y674 HydrophobicContact CG1-CD1 4.12Å; A670-Y674 PolarHBondContact O-N 3.36Å; G671-Y674 WeakPolarHBondContact O-CB 3.5Å; G671-Y674 PolarHBondContact O-N 3.5Å; M672-Y674 VanDerWaalsContact C-N 3.29Å; M672-Y674 PolarHBondContact O-N 2.78Å; Y674-S677 PolarHBondContact O-N 2.9Å; Y674-S677 PolarHBondContact O-OG 3.16Å; Y674-K678 HydrophobicContact CE1-CG 4.15Å; Y674-K678 WeakPolarHBondContact O-CG 3.47Å; Y674-K678 PolarHBondContact O-N 2.97Å; Y674-K678 VanDerWaalsContact OH-CE 3.25Å; Y674-K678 WeakPolarHBondContact OH-CE 3.36Å |
| 675 | L | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.2 | -64.7 | -177.5 | 0 | 0 | 0 | 112.4 | Y615 I620 G671 M672 S677 K678 N679 C680 H682 F703 | Y615-L675 HydrophobicContact CD2-CD2 3.76Å; Y615-L675 HydrophobicContact CE2-CD2 3.48Å; Y615-L675 VanDerWaalsContact CE2-CD2 3.48Å; I620-L675 HydrophobicContact CD1-CD1 4.11Å; I620-L675 HydrophobicContact CD1-CD2 3.97Å; I620-L675 HydrophobicContact CD1-CG 3.89Å; G671-L675 WeakPolarHBondContact O-CG 3.44Å; G671-L675 PolarHBondContact O-N 3.36Å; M672-L675 HydrophobicContact CE-CD1 4.35Å; M672-L675 PolarHBondContact O-N 2.94Å; M672-L675 HydrophobicContact SD-CD1 3.85Å; L675-S677 VanDerWaalsContact C-N 3.29Å; L675-S677 PolarHBondContact O-N 3.35Å; L675-K678 CarbonylContact O-C 3.58Å; L675-K678 WeakPolarHBondContact O-CA 3.5Å; L675-K678 PolarHBondContact O-N 3.43Å; L675-N679 PolarHBondContact O-N 3.46Å; L675-C680 HydrophobicContact CB-CB 4.12Å; L675-C680 HydrophobicContact CD2-CB 4.31Å; L675-C680 WeakPolarHBondContact O-CB 3.36Å; L675-C680 PolarHBondContact O-N 3.02Å; L675-H682 HydrophobicContact CD1-CB 4.4Å; L675-F703 HydrophobicContact CD1-CE1 3.66Å; L675-F703 HydrophobicContact CD1-CZ 4.05Å; L675-F703 HydrophobicContact CD2-CE1 3.69Å; L675-F703 HydrophobicContact CD2-CZ 4.19Å; L675-F703 HydrophobicContact CG-CE1 4.34Å |
| 676 | E | 96.8 | Very high | 96.9 | Very high | 37 Ų | 37 | 18.9 Ų | 18.9 | 17% | 0.173 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.2 | -43.5 | 173.9 | -179.1 | 179.6 | -132.6 | 0 | 0 | 110.9 | M672 K678 N679 F807 | M672-E676 WeakPolarHBondContact O-CB 3.17Å; M672-E676 PolarHBondContact O-N 3.46Å; E676-K678 PolarHBondContact O-N 2.95Å; E676-K678 VanDerWaalsContact O-N 3.15Å; E676-N679 PolarHBondContact O-N 2.74Å; E676-F807 HydrophobicContact CB-CD2 4.34Å; E676-F807 PolarHBondContact OE2-N 3.05Å |
| 677 | S | 95.7 | Very high | 96.9 | Very high | 82 Ų | 82 | 18.1 Ų | 18.1 | 57% | 0.573 | 10% | 0.099 | S | C | * | . | H | α-helix | trans | -65.9 | -15.8 | 177 | 81.4 | 0 | 0 | 0 | 0 | 114.7 | A673 Y674 L675 | A673-S677 PolarHBondContact O-N 3.27Å; Y674-S677 PolarHBondContact O-N 2.9Å; Y674-S677 PolarHBondContact O-OG 3.16Å; L675-S677 VanDerWaalsContact C-N 3.29Å; L675-S677 PolarHBondContact O-N 3.35Å |
| 678 | K | 95 | Very high | 96.7 | Very high | 80 Ų | 80 | 21 Ų | 21 | 35% | 0.348 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 9.1 | 176.6 | -63.9 | -62.4 | -173.8 | 177.7 | 0 | 112.6 | Y615 Y674 L675 E676 C680 Q708 | Y615-K678 HydrophobicContact CD1-CG 4.15Å; Y615-K678 HydrophobicContact CE1-CB 3.78Å; Y615-K678 HydrophobicContact CE1-CD 4.49Å; Y615-K678 HydrophobicContact CE1-CG 3.85Å; Y674-K678 HydrophobicContact CE1-CG 4.15Å; Y674-K678 WeakPolarHBondContact O-CG 3.47Å; Y674-K678 PolarHBondContact O-N 2.97Å; Y674-K678 VanDerWaalsContact OH-CE 3.25Å; Y674-K678 WeakPolarHBondContact OH-CE 3.36Å; L675-K678 CarbonylContact O-C 3.58Å; L675-K678 WeakPolarHBondContact O-CA 3.5Å; L675-K678 PolarHBondContact O-N 3.43Å; E676-K678 PolarHBondContact O-N 2.95Å; E676-K678 VanDerWaalsContact O-N 3.15Å; K678-C680 HydrophobicContact CB-CB 4.42Å; K678-C680 PolarHBondContact O-N 2.94Å; K678-Q708 PolarHBondContact O-NE2 3.48Å |
| 679 | N | 94.2 | Very high | 96.6 | Very high | 67 Ų | 67 | 21.7 Ų | 21.7 | 36% | 0.358 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 35.2 | -172.9 | -62.4 | -25.1 | 0 | 0 | 0 | 112.5 | L675 E676 Q708 E709 | L675-N679 PolarHBondContact O-N 3.46Å; E676-N679 PolarHBondContact O-N 2.74Å; N679-Q708 WeakPolarHBondContact O-CA 3.47Å; N679-E709 WeakPolarHBondContact CB-O 3.45Å; N679-E709 PolarHBondContact O-N 2.84Å; N679-E709 VanDerWaalsContact O-N 3.09Å |
| 680 | C | 95.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.3 | -177.2 | -175.1 | 0 | 0 | 0 | 0 | 111 | Y615 L675 K678 R707 | Y615-C680 HydrophobicContact CE2-CB 4.38Å; Y615-C680 WeakPolarHBondContact OH-CB 3.33Å; Y615-C680 PolarHBondContact OH-SG 3.28Å; L675-C680 HydrophobicContact CB-CB 4.12Å; L675-C680 HydrophobicContact CD2-CB 4.31Å; L675-C680 WeakPolarHBondContact O-CB 3.36Å; L675-C680 PolarHBondContact O-N 3.02Å; K678-C680 HydrophobicContact CB-CB 4.42Å; K678-C680 PolarHBondContact O-N 2.94Å; C680-R707 CarbonylContact C-O 3.58Å; C680-R707 WeakPolarHBondContact CA-O 3.3Å |
| 681 | I | 96.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 118 | 174.9 | -47.9 | 162.6 | 0 | 0 | 0 | 107.7 | R683 S706 R707 E709 D742 | I681-R683 HydrophobicContact CB-CG 4.32Å; I681-R683 HydrophobicContact CG2-CG 3.65Å; I681-S706 CarbonylContact O-C 3.57Å; I681-S706 WeakPolarHBondContact O-CA 3.45Å; I681-S706 WeakPolarHBondContact O-CB 3.43Å; I681-R707 PolarHBondContact N-O 2.96Å; I681-R707 PolarHBondContact O-N 3.33Å; I681-E709 HydrophobicContact CD1-CB 4.49Å; I681-E709 HydrophobicContact CD1-CG 4.29Å; I681-D742 WeakPolarHBondContact CA-OD2 3.36Å |
| 682 | H | 95.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -73.4 | -47.6 | -174.2 | -169.5 | -83.7 | 0 | 0 | 0 | 112.6 | M672 L675 D684 L685 I700 S701 F703 S706 D742 | M672-H682 HydrophobicContact CE-CB 4.03Å; M672-H682 HydrophobicContact SD-CB 4.38Å; L675-H682 HydrophobicContact CD1-CB 4.4Å; H682-D684 PolarHBondContact CE1-O 3.37Å; H682-D684 VanDerWaalsContact ND1-C 3.27Å; H682-D684 PolarHBondContact ND1-N 2.86Å; H682-D684 PolarHBondContact O-N 3.02Å; H682-D684 VanDerWaalsContact O-N 3.13Å; H682-L685 PolarHBondContact ND1-N 3.24Å; H682-I700 WeakPolarHBondContact NE2-CG2 3.22Å; H682-S701 PolarHBondContact NE2-O 3.46Å; H682-F703 AromaticContact CD2-CE1 3.76Å; H682-S706 WeakPolarHBondContact O-CA 3.41Å; H682-S706 PolarHBondContact O-OG 3.49Å; H682-S706 VanDerWaalsContact O-OG 3.12Å; H682-D742 PolarHBondContact N-OD2 3.47Å | ||
| 683 | R | 94.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 5% | 0.045 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 70.3 | -12.4 | 175.8 | -53.8 | 176.3 | 53.8 | -146.5 | 5.3 | 117.5 | I681 M705 Y714 Y737 D742 | I681-R683 HydrophobicContact CB-CG 4.32Å; I681-R683 HydrophobicContact CG2-CG 3.65Å; R683-M705 HydrophobicContact CB-CB 4.29Å; R683-M705 WeakPolarHBondContact CD-O 3.47Å; R683-M705 PolarHBondContact NH1-O 3.41Å; R683-Y714 VanDerWaalsContact CZ-CE1 3.44Å; R683-Y737 HydrophobicContact CB-CD1 4.04Å; R683-Y737 HydrophobicContact CB-CE1 4.27Å; R683-Y737 HydrophobicContact CG-CD1 3.66Å; R683-Y737 HydrophobicContact CG-CE1 4.34Å; R683-Y737 HydrophobicContact CG-CG 4.08Å; R683-D742 PolarHBondContact N-OD1 2.84Å |
| 684 | D | 93.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 30 Ų | 30 | 6% | 0.064 | 15% | 0.15 | C | C | . | . | trans | -135.9 | 44.6 | 174.8 | -165.1 | 17.2 | 0 | 0 | 0 | 112.2 | H682 A686 R688 N689 M705 P723 | H682-D684 PolarHBondContact CE1-O 3.37Å; H682-D684 VanDerWaalsContact ND1-C 3.27Å; H682-D684 PolarHBondContact ND1-N 2.86Å; H682-D684 PolarHBondContact O-N 3.02Å; H682-D684 VanDerWaalsContact O-N 3.13Å; D684-A686 PolarHBondContact O-N 3.43Å; D684-R688 IonicContact OD1-CZ 2.82Å; D684-R688 IonicContact OD1-NH2 3.16Å; D684-R688 PolarHBondContact OD1-NH2 3.43Å; D684-N689 PolarHBondContact O-ND2 2.85Å; D684-N689 PolarHBondContact OD1-ND2 3.42Å; D684-N689 PolarHBondContact OD2-ND2 3.2Å; D684-M705 HydrophobicContact CB-CB 4.41Å; D684-M705 HydrophobicContact CB-SD 4.08Å; D684-P723 WeakPolarHBondContact OD1-CG 3.34Å | ||
| 685 | L | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -74.9 | 117.5 | 177.5 | -178.2 | 67.9 | 0 | 0 | 0 | 110.3 | M672 H682 I700 Y746 L749 | M672-L685 HydrophobicContact CE-CD2 4.21Å; M672-L685 HydrophobicContact CG-CD1 4.43Å; M672-L685 HydrophobicContact CG-CD2 3.8Å; M672-L685 HydrophobicContact SD-CD1 3.93Å; M672-L685 HydrophobicContact SD-CD2 3.78Å; M672-L685 HydrophobicContact SD-CG 4.36Å; H682-L685 PolarHBondContact ND1-N 3.24Å; L685-I700 HydrophobicContact CD1-CD1 4.5Å; L685-I700 HydrophobicContact CD1-CG1 4.43Å; L685-I700 HydrophobicContact CD1-CG2 4.32Å; L685-Y746 HydrophobicContact CD2-CD2 4.16Å; L685-L749 HydrophobicContact CD1-CD2 4.16Å; L685-L749 HydrophobicContact CD2-CD2 4.41Å; L685-L749 HydrophobicContact CG-CD2 4.24Å | ||
| 686 | A | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -158.2 | 164 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D684 R688 N689 C690 W726 | D684-A686 PolarHBondContact O-N 3.43Å; A686-R688 VanDerWaalsContact C-N 3.25Å; A686-R688 HydrophobicContact CB-CG 3.96Å; A686-R688 PolarHBondContact O-N 3.45Å; A686-N689 PolarHBondContact O-N 3.49Å; A686-C690 PolarHBondContact O-N 3.49Å; A686-C690 PolarHBondContact O-SG 2.64Å; A686-W726 HydrophobicContact CB-CD2 4.33Å; A686-W726 HydrophobicContact CB-CG 4.1Å |
| 687 | A | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -59.9 | -34.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F645 L646 N689 C690 L749 E752 | F645-A687 WeakPolarHBondContact CB-O 3.41Å; F645-A687 HydrophobicContact CD1-CB 4.05Å; F645-A687 PolarHBondContact N-O 3.47Å; L646-A687 HydrophobicContact CB-CB 3.92Å; L646-A687 HydrophobicContact CD1-CB 4.36Å; L646-A687 PolarHBondContact N-O 3.34Å; A687-N689 PolarHBondContact O-N 2.86Å; A687-C690 PolarHBondContact O-N 2.9Å; A687-L749 HydrophobicContact CB-CD1 3.89Å; A687-E752 HydrophobicContact CB-CB 4.09Å; A687-E752 PolarHBondContact N-OE2 3.32Å |
| 688 | R | 95.4 | Very high | 94.1 | Very high | 79 Ų | 79 | 31.7 Ų | 31.7 | 30% | 0.298 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -63.7 | -22 | 175.1 | 62.7 | 172.1 | -178.7 | -74.9 | -9.5 | 114.4 | L646 D684 A686 | L646-R688 HydrophobicContact CB-CB 4.46Å; L646-R688 HydrophobicContact CD2-CB 4.3Å; D684-R688 IonicContact OD1-CZ 2.82Å; D684-R688 IonicContact OD1-NH2 3.16Å; D684-R688 PolarHBondContact OD1-NH2 3.43Å; A686-R688 VanDerWaalsContact C-N 3.25Å; A686-R688 HydrophobicContact CB-CG 3.96Å; A686-R688 PolarHBondContact O-N 3.45Å |
| 689 | N | 95.6 | Very high | 94.2 | Very high | 15 Ų | 15 | 29.4 Ų | 29.4 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -106.5 | 10.4 | -177.7 | -67 | -12.4 | 0 | 0 | 0 | 111.9 | D684 A686 A687 S701 D702 | D684-N689 PolarHBondContact O-ND2 2.85Å; D684-N689 PolarHBondContact OD1-ND2 3.42Å; D684-N689 PolarHBondContact OD2-ND2 3.2Å; A686-N689 PolarHBondContact O-N 3.49Å; A687-N689 PolarHBondContact O-N 2.86Å; N689-S701 CarbonylContact O-C 3.53Å; N689-S701 WeakPolarHBondContact O-CA 3.33Å; N689-S701 PolarHBondContact O-N 2.83Å; N689-S701 VanDerWaalsContact O-O 3.07Å; N689-D702 HydrophobicContact CB-CB 4.32Å |
| 690 | C | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147.6 | 167 | -62.1 | 0 | 0 | 0 | 0 | 108.6 | D644 F645 A686 A687 L698 K699 | D644-C690 CarbonylContact C-O 3.56Å; D644-C690 WeakPolarHBondContact CA-O 3.49Å; F645-C690 HydrophobicContact CB-CB 3.79Å; F645-C690 WeakPolarHBondContact CB-O 3.5Å; F645-C690 HydrophobicContact CD1-CB 4.26Å; F645-C690 HydrophobicContact CG-CB 4.4Å; F645-C690 PolarHBondContact N-O 3.44Å; A686-C690 PolarHBondContact O-N 3.49Å; A686-C690 PolarHBondContact O-SG 2.64Å; A687-C690 PolarHBondContact O-N 2.9Å; C690-L698 HydrophobicContact CB-CD1 4.08Å; C690-L698 HydrophobicContact CB-CD2 3.96Å; C690-L698 HydrophobicContact CB-CG 4.01Å; C690-K699 CarbonylContact C-O 3.56Å; C690-K699 WeakPolarHBondContact CA-O 3.06Å |
| 691 | L | 96.7 | Very high | 94.3 | Very high | 35 Ų | 35 | 27 Ų | 27 | 18% | 0.183 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149.1 | 178.5 | -56.3 | 176 | 0 | 0 | 0 | 109.8 | V640 G643 D644 L698 K699 | V640-L691 HydrophobicContact CB-CB 3.79Å; V640-L691 HydrophobicContact CB-CD1 3.87Å; V640-L691 HydrophobicContact CB-CG 4.45Å; V640-L691 HydrophobicContact CG1-CB 3.59Å; V640-L691 HydrophobicContact CG2-CB 4.16Å; V640-L691 HydrophobicContact CG2-CD1 3.8Å; G643-L691 VanDerWaalsContact O-CA 3.28Å; G643-L691 WeakPolarHBondContact O-CA 3.21Å; D644-L691 HydrophobicContact CB-CD2 4.32Å; L691-L698 CarbonylContact O-C 3.59Å; L691-L698 WeakPolarHBondContact O-CA 3.36Å; L691-K699 PolarHBondContact N-O 2.92Å; L691-K699 PolarHBondContact O-N 3.48Å |
| 692 | V | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.7 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | V640 G642 G643 F645 F648 F664 | V640-V692 WeakPolarHBondContact CG1-O 3.44Å; G642-V692 CarbonylContact C-O 3.6Å; G642-V692 WeakPolarHBondContact CA-O 3.41Å; G642-V692 PolarHBondContact N-O 3.47Å; G643-V692 PolarHBondContact O-N 2.69Å; F645-V692 HydrophobicContact CB-CG2 4.04Å; F645-V692 HydrophobicContact CD2-CG2 3.53Å; F645-V692 HydrophobicContact CE2-CG2 4.4Å; F645-V692 HydrophobicContact CG-CG2 4.19Å; F648-V692 HydrophobicContact CB-CG2 4.17Å; F648-V692 HydrophobicContact CD1-CG2 4.01Å; F648-V692 HydrophobicContact CD2-CB 4.2Å; F648-V692 HydrophobicContact CD2-CG1 4.25Å; F648-V692 HydrophobicContact CD2-CG2 4.32Å; F648-V692 HydrophobicContact CE1-CG1 4.39Å; F648-V692 HydrophobicContact CE1-CG2 4.49Å; F648-V692 HydrophobicContact CE2-CB 4.48Å; F648-V692 HydrophobicContact CE2-CG1 4.02Å; F648-V692 HydrophobicContact CG-CB 4.3Å; F648-V692 HydrophobicContact CG-CG2 3.92Å; F648-V692 HydrophobicContact CZ-CG1 4.1Å; F664-V692 HydrophobicContact CE1-CG1 3.9Å; F664-V692 HydrophobicContact CE1-CG2 4.32Å; F664-V692 HydrophobicContact CZ-CG1 4.12Å |
| 693 | G | 89.1 | Confident | 93.8 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | trans | -87.3 | -173.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V640 N696 V697 | V640-G693 VanDerWaalsContact CG1-N 3.31Å; G693-N696 PolarHBondContact O-N 3.37Å; G693-V697 PolarHBondContact N-O 2.93Å | ||
| 694 | E | 80.7 | Confident | 93.3 | Very high | 157 Ų | 157 | 27.7 Ų | 27.7 | 73% | 0.734 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -55.7 | 147.6 | 172.3 | -63.8 | -177.1 | 178.8 | 0 | 0 | 111.2 | N696 | E694-N696 PolarHBondContact O-N 3.03Š|
| 695 | S | 84.5 | Confident | 93 | Very high | 99 Ų | 99 | 27.9 Ų | 27.9 | 69% | 0.692 | 15% | 0.149 | S | C | * | . | G | 310 helix | trans | 59.3 | 22.6 | -175.4 | -55.8 | 0 | 0 | 0 | 0 | 115.3 | V697 | S695-V697 PolarHBondContact O-N 3.47Š|
| 696 | N | 88.9 | Confident | 92.7 | Very high | 58 Ų | 58 | 27.9 Ų | 27.9 | 31% | 0.31 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | 58.3 | 43.5 | 178.8 | -59.6 | -50.5 | 0 | 0 | 0 | 113 | Q660 F664 G693 E694 | Q660-N696 PolarHBondContact NE2-ND2 3.17Å; Q660-N696 VanDerWaalsContact NE2-ND2 3.15Å; F664-N696 HydrophobicContact CE1-CB 3.87Å; F664-N696 WeakPolarHBondContact CE1-O 3.28Å; F664-N696 HydrophobicContact CZ-CB 3.88Å; G693-N696 PolarHBondContact O-N 3.37Å; E694-N696 PolarHBondContact O-N 3.03Å |
| 697 | V | 95.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 30 Ų | 30 | 22% | 0.224 | 16% | 0.157 | C | C | . | . | trans | -90 | 126.6 | 171 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | G693 S695 | G693-V697 PolarHBondContact N-O 2.93Å; S695-V697 PolarHBondContact O-N 3.47Å | ||
| 698 | L | 97.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 135.4 | 176.5 | -176.9 | 156.6 | 0 | 0 | 0 | 110.9 | N619 F645 F664 D667 A668 C690 L691 | N619-L698 WeakPolarHBondContact CB-O 3.42Å; N619-L698 PolarHBondContact ND2-O 3.05Å; F645-L698 HydrophobicContact CD1-CD1 3.64Å; F645-L698 HydrophobicContact CD2-CD1 4.2Å; F645-L698 HydrophobicContact CE1-CD1 3.68Å; F645-L698 HydrophobicContact CE2-CD1 4.24Å; F645-L698 HydrophobicContact CG-CD1 3.89Å; F645-L698 HydrophobicContact CZ-CD1 3.99Å; F664-L698 HydrophobicContact CB-CD1 3.98Å; F664-L698 HydrophobicContact CD1-CB 3.87Å; F664-L698 HydrophobicContact CD1-CD1 4.38Å; F664-L698 HydrophobicContact CG-CD1 4.47Å; D667-L698 HydrophobicContact CB-CB 3.88Å; D667-L698 PolarHBondContact OD2-N 2.9Å; D667-L698 VanDerWaalsContact OD2-N 3.09Å; A668-L698 HydrophobicContact CB-CD2 3.79Å; C690-L698 HydrophobicContact CB-CD1 4.08Å; C690-L698 HydrophobicContact CB-CD2 3.96Å; C690-L698 HydrophobicContact CB-CG 4.01Å; L691-L698 CarbonylContact O-C 3.59Å; L691-L698 WeakPolarHBondContact O-CA 3.36Å |
| 699 | K | 98.1 | Very high | 91.3 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 14% | 0.143 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138 | 174.5 | -58.6 | -165.3 | 174.3 | -157 | 0 | 111.1 | P618 N619 E638 V640 C690 L691 | P618-K699 WeakPolarHBondContact O-CE 3.48Å; N619-K699 CarbonylContact O-C 3.56Å; N619-K699 WeakPolarHBondContact O-CA 3.31Å; E638-K699 IonicContact OE1-NZ 3.04Å; E638-K699 PolarHBondContact OE1-NZ 3.38Å; E638-K699 IonicContact OE2-NZ 2.73Å; E638-K699 PolarHBondContact OE2-NZ 3.14Å; V640-K699 HydrophobicContact CG2-CD 4.2Å; C690-K699 CarbonylContact C-O 3.56Å; C690-K699 WeakPolarHBondContact CA-O 3.06Å; L691-K699 PolarHBondContact N-O 2.92Å; L691-K699 PolarHBondContact O-N 3.48Å |
| 700 | I | 98.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 139.5 | 173.7 | -58.1 | 165.1 | 0 | 0 | 0 | 108.9 | N619 I620 V621 M672 H682 L685 F703 | N619-I700 PolarHBondContact O-N 3.24Å; I620-I700 HydrophobicContact CD1-CB 4.01Å; I620-I700 HydrophobicContact CD1-CD1 3.99Å; I620-I700 HydrophobicContact CD1-CG1 4.45Å; V621-I700 PolarHBondContact N-O 2.81Å; M672-I700 HydrophobicContact CG-CD1 3.71Å; M672-I700 HydrophobicContact SD-CD1 3.62Å; H682-I700 WeakPolarHBondContact NE2-CG2 3.22Å; L685-I700 HydrophobicContact CD1-CD1 4.5Å; L685-I700 HydrophobicContact CD1-CG1 4.43Å; L685-I700 HydrophobicContact CD1-CG2 4.32Å; I700-F703 HydrophobicContact CG2-CE2 4.39Å; I700-F703 HydrophobicContact CG2-CZ 4.1Å |
| 701 | S | 94.3 | Very high | 90 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 12% | 0.119 | 24% | 0.237 | C | C | . | . | trans | -140.1 | 175.1 | -176 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | H682 N689 | H682-S701 PolarHBondContact NE2-O 3.46Å; N689-S701 CarbonylContact O-C 3.53Å; N689-S701 WeakPolarHBondContact O-CA 3.33Å; N689-S701 PolarHBondContact O-N 2.83Å; N689-S701 VanDerWaalsContact O-O 3.07Å | ||
| 702 | D | 89 | Confident | 89.2 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | trans | 64.2 | 71.2 | 178 | -155.7 | 3 | 0 | 0 | 0 | 114.7 | K591 E608 N689 G704 | K591-D702 IonicContact NZ-OD1 3.51Å; K591-D702 PolarHBondContact NZ-OD1 3.13Å; E608-D702 WeakPolarHBondContact OE1-CA 3.41Å; N689-D702 HydrophobicContact CB-CB 4.32Å; D702-G704 PolarHBondContact O-N 2.77Å | ||
| 703 | F | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -86.9 | 15.5 | -178.8 | -68.4 | -103.3 | 0 | 0 | 0 | 113.4 | E608 I611 L612 Y615 I620 V621 L675 H682 I700 M705 S706 | E608-F703 HydrophobicContact CB-CB 4.33Å; E608-F703 HydrophobicContact CG-CB 4.03Å; E608-F703 PolarHBondContact OE1-N 3.02Å; I611-F703 HydrophobicContact CG2-CB 4.3Å; I611-F703 HydrophobicContact CG2-CD1 3.73Å; I611-F703 HydrophobicContact CG2-CE1 4.45Å; I611-F703 HydrophobicContact CG2-CG 4.28Å; L612-F703 HydrophobicContact CD1-CD2 4.3Å; L612-F703 HydrophobicContact CD2-CD2 3.6Å; L612-F703 HydrophobicContact CD2-CE2 3.65Å; L612-F703 HydrophobicContact CD2-CG 4.1Å; L612-F703 HydrophobicContact CD2-CZ 4.16Å; L612-F703 HydrophobicContact CG-CD2 4.09Å; L612-F703 HydrophobicContact CG-CG 4.37Å; Y615-F703 HydrophobicContact CD2-CE1 4.49Å; Y615-F703 HydrophobicContact CE2-CE1 4.28Å; I620-F703 HydrophobicContact CD1-CZ 4.23Å; I620-F703 HydrophobicContact CG2-CE2 4.02Å; I620-F703 HydrophobicContact CG2-CZ 3.71Å; V621-F703 HydrophobicContact CG1-CE2 4.23Å; L675-F703 HydrophobicContact CD1-CE1 3.66Å; L675-F703 HydrophobicContact CD1-CZ 4.05Å; L675-F703 HydrophobicContact CD2-CE1 3.69Å; L675-F703 HydrophobicContact CD2-CZ 4.19Å; L675-F703 HydrophobicContact CG-CE1 4.34Å; H682-F703 AromaticContact CD2-CE1 3.76Å; I700-F703 HydrophobicContact CG2-CE2 4.39Å; I700-F703 HydrophobicContact CG2-CZ 4.1Å; F703-M705 PolarHBondContact O-N 3.44Å; F703-M705 VanDerWaalsContact O-N 3.15Å; F703-S706 WeakPolarHBondContact CA-OG 3.36Å; F703-S706 WeakPolarHBondContact CD1-OG 3.48Å; F703-S706 WeakPolarHBondContact O-CB 3.4Å; F703-S706 PolarHBondContact O-N 2.96Å; F703-S706 PolarHBondContact O-OG 3.39Å |
| 704 | G | 85.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -63 | -22.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D702 | D702-G704 PolarHBondContact O-N 2.77Š|
| 705 | M | 87.1 | Confident | 89 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -99.6 | -10.2 | 175.5 | -69.2 | -167 | 58.4 | 0 | 0 | 114.1 | R683 D684 F703 R707 | R683-M705 HydrophobicContact CB-CB 4.29Å; R683-M705 WeakPolarHBondContact CD-O 3.47Å; R683-M705 PolarHBondContact NH1-O 3.41Å; D684-M705 HydrophobicContact CB-CB 4.41Å; D684-M705 HydrophobicContact CB-SD 4.08Å; F703-M705 PolarHBondContact O-N 3.44Å; F703-M705 VanDerWaalsContact O-N 3.15Å; M705-R707 PolarHBondContact O-NH1 2.93Å |
| 706 | S | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -69.9 | 152.1 | -170 | -49.4 | 0 | 0 | 0 | 0 | 112.9 | I681 H682 F703 | I681-S706 CarbonylContact O-C 3.57Å; I681-S706 WeakPolarHBondContact O-CA 3.45Å; I681-S706 WeakPolarHBondContact O-CB 3.43Å; H682-S706 WeakPolarHBondContact O-CA 3.41Å; H682-S706 PolarHBondContact O-OG 3.49Å; H682-S706 VanDerWaalsContact O-OG 3.12Å; F703-S706 WeakPolarHBondContact CA-OG 3.36Å; F703-S706 WeakPolarHBondContact CD1-OG 3.48Å; F703-S706 WeakPolarHBondContact O-CB 3.4Å; F703-S706 PolarHBondContact O-N 2.96Å; F703-S706 PolarHBondContact O-OG 3.39Å | ||
| 707 | R | 88.8 | Confident | 87 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145 | 179 | -66.3 | -65.7 | -180 | -90.1 | 5.7 | 110 | C680 I681 M705 E709 Y714 | C680-R707 CarbonylContact C-O 3.58Å; C680-R707 WeakPolarHBondContact CA-O 3.3Å; I681-R707 PolarHBondContact N-O 2.96Å; I681-R707 PolarHBondContact O-N 3.33Å; M705-R707 PolarHBondContact O-NH1 2.93Å; R707-E709 HydrophobicContact CB-CG 4.34Å; R707-Y714 HydrophobicContact CB-CD2 4.24Å; R707-Y714 HydrophobicContact CB-CG 4.21Å; R707-Y714 HydrophobicContact CG-CD1 4.08Å; R707-Y714 HydrophobicContact CG-CD2 3.87Å; R707-Y714 HydrophobicContact CG-CE1 4.16Å; R707-Y714 HydrophobicContact CG-CE2 3.97Å; R707-Y714 HydrophobicContact CG-CG 3.93Å |
| 708 | Q | 87.2 | Confident | 85.1 | Confident | 71 Ų | 71 | 44.8 Ų | 44.8 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.7 | 173.3 | -173.4 | 172.7 | 31.1 | 0 | 0 | 107.2 | I611 K678 N679 | I611-Q708 HydrophobicContact CD1-CB 3.91Å; K678-Q708 PolarHBondContact O-NE2 3.48Å; N679-Q708 WeakPolarHBondContact O-CA 3.47Å |
| 709 | E | 86.4 | Confident | 82.8 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | trans | -131.5 | 119.5 | -173.5 | -62.1 | -61.2 | 157.8 | 0 | 0 | 109.6 | N679 I681 R707 D711 G712 Y714 | N679-E709 WeakPolarHBondContact CB-O 3.45Å; N679-E709 PolarHBondContact O-N 2.84Å; N679-E709 VanDerWaalsContact O-N 3.09Å; I681-E709 HydrophobicContact CD1-CB 4.49Å; I681-E709 HydrophobicContact CD1-CG 4.29Å; R707-E709 HydrophobicContact CB-CG 4.34Å; E709-D711 VanDerWaalsContact C-N 3.26Å; E709-D711 PolarHBondContact O-N 3.05Å; E709-G712 PolarHBondContact O-N 3.15Å; E709-Y714 HydrophobicContact CG-CD2 4.32Å; E709-Y714 VanDerWaalsContact OE1-CD2 3.28Å; E709-Y714 WeakPolarHBondContact OE1-CD2 3.44Å | ||
| 710 | D | 82.6 | Confident | 80.8 | Confident | 148 Ų | 148 | 58.5 Ų | 58.5 | 79% | 0.791 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.4 | -174.7 | -70.7 | -32.7 | 0 | 0 | 0 | 113.4 | G712 | D710-G712 VanDerWaalsContact C-N 3.3Š|
| 711 | D | 82.8 | Confident | 79.3 | Confident | 124 Ų | 124 | 63.5 Ų | 63.5 | 66% | 0.663 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -1.1 | 175.5 | 66.6 | -1.9 | 0 | 0 | 0 | 113.3 | E709 V713 | E709-D711 VanDerWaalsContact C-N 3.26Å; E709-D711 PolarHBondContact O-N 3.05Å; D711-V713 VanDerWaalsContact C-N 3.28Å; D711-V713 PolarHBondContact O-N 3.06Å; D711-V713 PolarHBondContact OD1-N 2.6Å |
| 712 | G | 80.7 | Confident | 78.9 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 76 | 4.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E709 D710 S738 | E709-G712 PolarHBondContact O-N 3.15Å; D710-G712 VanDerWaalsContact C-N 3.3Å; G712-S738 WeakPolarHBondContact O-CB 3.41Å |
| 713 | V | 88.9 | Confident | 79 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 117 | -176.2 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | D711 R736 Y737 | D711-V713 VanDerWaalsContact C-N 3.28Å; D711-V713 PolarHBondContact O-N 3.06Å; D711-V713 PolarHBondContact OD1-N 2.6Å; V713-R736 HydrophobicContact CG1-CG 3.73Å; V713-Y737 WeakPolarHBondContact CA-O 3.43Å |
| 714 | Y | 87.1 | Confident | 79.2 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.2 | 172.2 | 179 | -109.9 | 0 | 0 | 0 | 111.6 | R683 R707 E709 Y737 | R683-Y714 VanDerWaalsContact CZ-CE1 3.44Å; R707-Y714 HydrophobicContact CB-CD2 4.24Å; R707-Y714 HydrophobicContact CB-CG 4.21Å; R707-Y714 HydrophobicContact CG-CD1 4.08Å; R707-Y714 HydrophobicContact CG-CD2 3.87Å; R707-Y714 HydrophobicContact CG-CE1 4.16Å; R707-Y714 HydrophobicContact CG-CE2 3.97Å; R707-Y714 HydrophobicContact CG-CG 3.93Å; E709-Y714 HydrophobicContact CG-CD2 4.32Å; E709-Y714 VanDerWaalsContact OE1-CD2 3.28Å; E709-Y714 WeakPolarHBondContact OE1-CD2 3.44Å; Y714-Y737 HydrophobicContact CD1-CD2 4.06Å; Y714-Y737 HydrophobicContact CD1-CG 4.46Å; Y714-Y737 PolarHBondContact N-O 3.41Å; Y714-Y737 PolarHBondContact O-N 3.2Å |
| 715 | S | 85.1 | Confident | 79.7 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.9 | 173.5 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 716 | S | 76.8 | Confident | 80.3 | Confident | 27 Ų | 27 | 67.9 Ų | 67.9 | 19% | 0.189 | 37% | 0.374 | C | S | . | . | trans | -97.2 | 129.4 | -178.6 | -157.2 | 0 | 0 | 0 | 0 | 112.6 | G735 | S716-G735 PolarHBondContact N-O 3.17Š| ||
| 717 | S | 55.5 | Low | 80.5 | Confident | 136 Ų | 136 | 68.3 Ų | 68.3 | 95% | 0.951 | 38% | 0.376 | S | S | * | . | trans | -89.7 | 1.1 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 718 | G | 55.2 | Low | 80.9 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 45% | 0.454 | 37% | 0.368 | S | S | . | . | trans | -142 | 137.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 719 | L | 49.1 | Very low | 81.4 | Confident | 135 Ų | 135 | 63 Ų | 63 | 71% | 0.707 | 35% | 0.353 | S | S | * | . | trans | -96.2 | 16.2 | -172 | -77.1 | 166.7 | 0 | 0 | 0 | 115.6 | I722 | L719-I722 HydrophobicContact CD2-CD1 3.56Š| ||
| 720 | K | 56.3 | Low | 81.7 | Confident | 186 Ų | 186 | 61 Ų | 61 | 81% | 0.809 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -91.7 | 119.5 | -174.7 | -72.7 | -174.7 | 178.7 | 179.5 | 0 | 112.4 | ||
| 721 | Q | 67.3 | Low | 82.2 | Confident | 105 Ų | 105 | 54 Ų | 54 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 68.2 | 72.6 | -177.7 | -62.8 | -178.7 | -6.5 | 0 | 0 | 115.1 | ||
| 722 | I | 84.1 | Confident | 82.6 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | trans | -107 | 131.4 | 173 | -59 | 173.6 | 0 | 0 | 0 | 109.1 | L719 I724 T727 L732 | L719-I722 HydrophobicContact CD2-CD1 3.56Å; I722-I724 PolarHBondContact O-N 3.4Å; I722-T727 HydrophobicContact CG2-CG2 3.96Å; I722-T727 VanDerWaalsContact CG2-OG1 3.32Å; I722-T727 WeakPolarHBondContact CG2-OG1 3.46Å; I722-L732 HydrophobicContact CG2-CD2 3.67Å | ||
| 723 | P | 92.1 | Very high | 83 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | trans | -75.1 | 75.2 | 175.6 | 33.4 | -37.2 | 0 | 0 | 0 | 110.5 | D684 K725 W726 T727 | D684-P723 WeakPolarHBondContact OD1-CG 3.34Å; P723-K725 VanDerWaalsContact C-N 3.3Å; P723-K725 PolarHBondContact O-N 2.73Å; P723-W726 HydrophobicContact CB-CB 4.37Å; P723-W726 HydrophobicContact CB-CE3 4.36Å; P723-W726 PolarHBondContact O-N 3.03Å; P723-T727 PolarHBondContact O-N 3.1Å; P723-T727 VanDerWaalsContact O-N 3.14Å; P723-T727 PolarHBondContact O-OG1 3.31Å | ||
| 724 | I | 94.2 | Very high | 82.8 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -47.1 | -47.2 | -165.3 | -66.4 | 169.4 | 0 | 0 | 0 | 113.4 | I722 W726 T727 L732 N766 | I722-I724 PolarHBondContact O-N 3.4Å; I724-W726 VanDerWaalsContact C-N 3.26Å; I724-W726 PolarHBondContact O-N 3.44Å; I724-T727 PolarHBondContact O-N 2.85Å; I724-L732 HydrophobicContact CG1-CD2 4.25Å; I724-L732 HydrophobicContact CG2-CD1 4.26Å; I724-L732 HydrophobicContact CG2-CD2 4.45Å; I724-N766 HydrophobicContact CB-CB 4.01Å; I724-N766 HydrophobicContact CD1-CB 3.7Å; I724-N766 HydrophobicContact CG1-CB 4.43Å; I724-N766 HydrophobicContact CG2-CB 3.94Å |
| 725 | K | 96.9 | Very high | 82.9 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 9% | 0.087 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -69 | -19.6 | -178.1 | -68.8 | 178.8 | 169.4 | -157.9 | 0 | 114.5 | P723 P760 Y761 M764 A769 | P723-K725 VanDerWaalsContact C-N 3.3Å; P723-K725 PolarHBondContact O-N 2.73Å; K725-P760 HydrophobicContact CB-CB 4.44Å; K725-P760 WeakPolarHBondContact CD-O 3.27Å; K725-P760 PolarHBondContact NZ-O 2.92Å; K725-Y761 HydrophobicContact CB-CD2 3.92Å; K725-Y761 HydrophobicContact CB-CE2 4.15Å; K725-Y761 HydrophobicContact CD-CD2 4.27Å; K725-Y761 HydrophobicContact CG-CD2 3.95Å; K725-Y761 PolarHBondContact NZ-O 3.32Å; K725-Y761 VanDerWaalsContact O-CE2 3.28Å; K725-Y761 WeakPolarHBondContact O-CE2 3.49Å; K725-M764 VanDerWaalsContact CE-O 3.32Å; K725-M764 WeakPolarHBondContact CE-O 3.28Å; K725-M764 PolarHBondContact NZ-O 3.48Å; K725-A769 HydrophobicContact CG-CB 4.27Å |
| 726 | W | 97.9 | Very high | 83.3 | Confident | 30 Ų | 30 | 55 Ų | 55 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -96.8 | -15.9 | 176.9 | -70.8 | -101.8 | 0 | 0 | 0 | 112.4 | A686 P723 I724 S745 I748 E752 P760 | A686-W726 HydrophobicContact CB-CD2 4.33Å; A686-W726 HydrophobicContact CB-CG 4.1Å; P723-W726 HydrophobicContact CB-CB 4.37Å; P723-W726 HydrophobicContact CB-CE3 4.36Å; P723-W726 PolarHBondContact O-N 3.03Å; I724-W726 VanDerWaalsContact C-N 3.26Å; I724-W726 PolarHBondContact O-N 3.44Å; W726-S745 WeakPolarHBondContact O-CA 3.35Å; W726-S745 PolarHBondContact O-OG 3.24Å; W726-I748 VanDerWaalsContact CD1-CG2 3.42Å; W726-I748 HydrophobicContact CD2-CG2 4.34Å; W726-I748 HydrophobicContact CG-CB 4.47Å; W726-I748 HydrophobicContact CG-CG2 3.96Å; W726-E752 WeakPolarHBondContact CZ2-OE1 3.4Å; W726-E752 PolarHBondContact NE1-OE2 3.47Å; W726-P760 HydrophobicContact CH2-CG 4.1Å; W726-P760 HydrophobicContact CZ2-CG 3.56Å |
| 727 | T | 96.8 | Very high | 84.1 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -88.5 | 139.3 | -169.7 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | I722 P723 I724 A731 L732 Y737 W744 | I722-T727 HydrophobicContact CG2-CG2 3.96Å; I722-T727 VanDerWaalsContact CG2-OG1 3.32Å; I722-T727 WeakPolarHBondContact CG2-OG1 3.46Å; P723-T727 PolarHBondContact O-N 3.1Å; P723-T727 VanDerWaalsContact O-N 3.14Å; P723-T727 PolarHBondContact O-OG1 3.31Å; I724-T727 PolarHBondContact O-N 2.85Å; T727-A731 HydrophobicContact CG2-CB 3.65Å; T727-L732 HydrophobicContact CG2-CD2 3.92Å; T727-L732 HydrophobicContact CG2-CG 3.75Å; T727-Y737 HydrophobicContact CG2-CE1 4.14Å; T727-W744 PolarHBondContact O-NE1 2.93Å |
| 728 | A | 97.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -65.6 | 151.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E730 A731 L732 W744 | A728-E730 VanDerWaalsContact CB-CD 3.49Å; A728-E730 WeakPolarHBondContact CB-OE1 3.49Å; A728-E730 WeakPolarHBondContact CB-OE2 3.35Å; A728-E730 PolarHBondContact O-N 3.47Å; A728-A731 HydrophobicContact CB-CB 4.49Å; A728-A731 PolarHBondContact O-N 2.95Å; A728-L732 PolarHBondContact O-N 3.36Å; A728-W744 HydrophobicContact CB-CB 3.68Å; A728-W744 HydrophobicContact CB-CD2 4.14Å; A728-W744 HydrophobicContact CB-CG 3.74Å | ||
| 729 | P | 95.8 | Very high | 88.1 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | -176.3 | 22.8 | -32.9 | 0 | 0 | 0 | 113.2 | A731 L732 N733 W744 V773 Y799 | P729-A731 VanDerWaalsContact C-N 3.32Å; P729-A731 PolarHBondContact O-N 2.96Å; P729-L732 PolarHBondContact O-N 2.99Å; P729-N733 VanDerWaalsContact O-CB 3.27Å; P729-N733 WeakPolarHBondContact O-CB 3.31Å; P729-N733 PolarHBondContact O-N 3.49Å; P729-N733 PolarHBondContact O-ND2 3.41Å; P729-W744 HydrophobicContact CG-CH2 4.26Å; P729-W744 HydrophobicContact CG-CZ3 4.13Å; P729-V773 HydrophobicContact CB-CG1 4.5Å; P729-Y799 HydrophobicContact CB-CE2 4.09Å; P729-Y799 HydrophobicContact CG-CD2 4.15Å; P729-Y799 HydrophobicContact CG-CE2 4.1Å |
| 730 | E | 94.6 | Very high | 90.4 | Very high | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.065 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -34.1 | 178.4 | 72.6 | -73 | 177.9 | 0 | 0 | 113 | A728 Y734 G735 S741 P801 R804 | A728-E730 VanDerWaalsContact CB-CD 3.49Å; A728-E730 WeakPolarHBondContact CB-OE1 3.49Å; A728-E730 WeakPolarHBondContact CB-OE2 3.35Å; A728-E730 PolarHBondContact O-N 3.47Å; E730-Y734 HydrophobicContact CB-CD2 4.31Å; E730-Y734 WeakPolarHBondContact O-CA 3.34Å; E730-Y734 WeakPolarHBondContact O-CB 3.39Å; E730-Y734 PolarHBondContact O-N 2.87Å; E730-G735 PolarHBondContact O-N 3.04Å; E730-S741 WeakPolarHBondContact OE1-CB 3.46Å; E730-P801 HydrophobicContact CB-CG 4.4Å; E730-P801 HydrophobicContact CG-CG 3.75Å; E730-R804 IonicContact OE1-CZ 2.73Å; E730-R804 IonicContact OE1-NH1 2.65Å; E730-R804 PolarHBondContact OE1-NH1 2.84Å; E730-R804 IonicContact OE1-NH2 2.89Å; E730-R804 PolarHBondContact OE1-NH2 3.17Å; E730-R804 IonicContact OE2-CZ 2.76Å; E730-R804 IonicContact OE2-NH1 2.84Å; E730-R804 IonicContact OE2-NH2 2.72Å; E730-R804 PolarHBondContact OE2-NH2 2.82Å |
| 731 | A | 92.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.1 | -35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T727 A728 P729 G735 R736 Y737 | T727-A731 HydrophobicContact CG2-CB 3.65Å; A728-A731 HydrophobicContact CB-CB 4.49Å; A728-A731 PolarHBondContact O-N 2.95Å; P729-A731 VanDerWaalsContact C-N 3.32Å; P729-A731 PolarHBondContact O-N 2.96Å; A731-G735 VanDerWaalsContact O-CA 3.23Å; A731-G735 WeakPolarHBondContact O-CA 3.28Å; A731-G735 PolarHBondContact O-N 3.33Å; A731-G735 VanDerWaalsContact O-N 3.15Å; A731-R736 VanDerWaalsContact CA-O 3.28Å; A731-R736 WeakPolarHBondContact CA-O 3.46Å; A731-R736 WeakPolarHBondContact CB-O 3.22Å; A731-R736 PolarHBondContact N-O 2.99Å; A731-Y737 HydrophobicContact CB-CD1 3.86Å; A731-Y737 HydrophobicContact CB-CD2 4.45Å; A731-Y737 HydrophobicContact CB-CE1 3.8Å; A731-Y737 HydrophobicContact CB-CE2 4.36Å; A731-Y737 HydrophobicContact CB-CG 4.19Å |
| 732 | L | 90.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.8 | -38 | 175.4 | -73.2 | 173.4 | 0 | 0 | 0 | 113.7 | I722 I724 T727 A728 P729 R770 | I722-L732 HydrophobicContact CG2-CD2 3.67Å; I724-L732 HydrophobicContact CG1-CD2 4.25Å; I724-L732 HydrophobicContact CG2-CD1 4.26Å; I724-L732 HydrophobicContact CG2-CD2 4.45Å; T727-L732 HydrophobicContact CG2-CD2 3.92Å; T727-L732 HydrophobicContact CG2-CG 3.75Å; A728-L732 PolarHBondContact O-N 3.36Å; P729-L732 PolarHBondContact O-N 2.99Å; L732-R770 PolarHBondContact O-NH2 2.9Å |
| 733 | N | 87.6 | Confident | 94.6 | Very high | 49 Ų | 49 | 27 Ų | 27 | 26% | 0.262 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -86.5 | -39.4 | -173.9 | -67.4 | -21.1 | 0 | 0 | 0 | 112.2 | P729 R770 E774 | P729-N733 VanDerWaalsContact O-CB 3.27Å; P729-N733 WeakPolarHBondContact O-CB 3.31Å; P729-N733 PolarHBondContact O-N 3.49Å; P729-N733 PolarHBondContact O-ND2 3.41Å; N733-R770 PolarHBondContact OD1-NE 3.1Å; N733-R770 PolarHBondContact OD1-NH2 2.86Å; N733-E774 PolarHBondContact ND2-OE1 3.17Å |
| 734 | Y | 86.1 | Confident | 94.9 | Very high | 179 Ų | 179 | 26.1 Ų | 26.1 | 70% | 0.702 | 12% | 0.12 | S | C | * | . | H | α-helix | trans | -121.7 | -0.6 | -170.1 | -47.3 | -64.4 | 0 | 0 | 0 | 113.1 | E730 R736 | E730-Y734 HydrophobicContact CB-CD2 4.31Å; E730-Y734 WeakPolarHBondContact O-CA 3.34Å; E730-Y734 WeakPolarHBondContact O-CB 3.39Å; E730-Y734 PolarHBondContact O-N 2.87Å; Y734-R736 PolarHBondContact O-N 3.42Å |
| 735 | G | 89 | Confident | 95.1 | Very high | 12 Ų | 12 | 23.8 Ų | 23.8 | 12% | 0.124 | 11% | 0.108 | C | C | . | . | trans | 66.8 | 17.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S716 E730 A731 Y737 | S716-G735 PolarHBondContact N-O 3.17Å; E730-G735 PolarHBondContact O-N 3.04Å; A731-G735 VanDerWaalsContact O-CA 3.23Å; A731-G735 WeakPolarHBondContact O-CA 3.28Å; A731-G735 PolarHBondContact O-N 3.33Å; A731-G735 VanDerWaalsContact O-N 3.15Å; G735-Y737 WeakPolarHBondContact O-CD2 3.47Å | ||
| 736 | R | 92.5 | Very high | 95.2 | Very high | 88 Ų | 88 | 22.9 Ų | 22.9 | 33% | 0.332 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 103.7 | -179 | -173.6 | -176.9 | 178.8 | -135.9 | -2.8 | 109.9 | V713 A731 Y734 | V713-R736 HydrophobicContact CG1-CG 3.73Å; A731-R736 VanDerWaalsContact CA-O 3.28Å; A731-R736 WeakPolarHBondContact CA-O 3.46Å; A731-R736 WeakPolarHBondContact CB-O 3.22Å; A731-R736 PolarHBondContact N-O 2.99Å; Y734-R736 PolarHBondContact O-N 3.42Å |
| 737 | Y | 94.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.7 | 175.5 | -65.4 | -96.4 | 0 | 0 | 0 | 110.2 | R683 V713 Y714 T727 A731 G735 | R683-Y737 HydrophobicContact CB-CD1 4.04Å; R683-Y737 HydrophobicContact CB-CE1 4.27Å; R683-Y737 HydrophobicContact CG-CD1 3.66Å; R683-Y737 HydrophobicContact CG-CE1 4.34Å; R683-Y737 HydrophobicContact CG-CG 4.08Å; V713-Y737 WeakPolarHBondContact CA-O 3.43Å; Y714-Y737 HydrophobicContact CD1-CD2 4.06Å; Y714-Y737 HydrophobicContact CD1-CG 4.46Å; Y714-Y737 PolarHBondContact N-O 3.41Å; Y714-Y737 PolarHBondContact O-N 3.2Å; T727-Y737 HydrophobicContact CG2-CE1 4.14Å; A731-Y737 HydrophobicContact CB-CD1 3.86Å; A731-Y737 HydrophobicContact CB-CD2 4.45Å; A731-Y737 HydrophobicContact CB-CE1 3.8Å; A731-Y737 HydrophobicContact CB-CE2 4.36Å; A731-Y737 HydrophobicContact CB-CG 4.19Å; G735-Y737 WeakPolarHBondContact O-CD2 3.47Å |
| 738 | S | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 175.5 | 178.5 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | G712 E740 S741 D742 | G712-S738 WeakPolarHBondContact O-CB 3.41Å; S738-E740 WeakPolarHBondContact CB-OE2 3.4Å; S738-E740 PolarHBondContact O-N 3.38Å; S738-E740 PolarHBondContact OG-N 2.67Å; S738-E740 PolarHBondContact OG-OE2 3.01Å; S738-S741 PolarHBondContact N-OG 2.86Å; S738-S741 WeakPolarHBondContact O-CB 3.14Å; S738-S741 PolarHBondContact O-N 3.37Å; S738-S741 PolarHBondContact O-OG 2.92Å; S738-D742 PolarHBondContact O-N 3.26Å |
| 739 | S | 97.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 21.1 Ų | 21.1 | 11% | 0.105 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -55.2 | -36.5 | 174.1 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | S741 D742 V743 | S739-S741 VanDerWaalsContact C-N 3.29Å; S739-S741 PolarHBondContact O-N 3.35Å; S739-D742 CarbonylContact O-C 3.53Å; S739-D742 WeakPolarHBondContact O-CB 3.5Å; S739-D742 PolarHBondContact O-N 2.88Å; S739-D742 VanDerWaalsContact O-N 3.09Å; S739-V743 WeakPolarHBondContact O-CG2 3.43Å; S739-V743 PolarHBondContact O-N 2.88Å |
| 740 | E | 98.3 | Very high | 95.5 | Very high | 50 Ų | 50 | 21 Ų | 21 | 23% | 0.234 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.6 | -30.8 | 177.3 | -56.8 | 73.6 | -157.1 | 0 | 0 | 112.1 | S738 D742 V743 W744 P801 R804 | S738-E740 WeakPolarHBondContact CB-OE2 3.4Å; S738-E740 PolarHBondContact O-N 3.38Å; S738-E740 PolarHBondContact OG-N 2.67Å; S738-E740 PolarHBondContact OG-OE2 3.01Å; E740-D742 VanDerWaalsContact C-N 3.35Å; E740-V743 WeakPolarHBondContact O-CB 3.45Å; E740-V743 PolarHBondContact O-N 3.21Å; E740-W744 PolarHBondContact O-N 3.12Å; E740-P801 HydrophobicContact CB-CB 3.78Å; E740-P801 HydrophobicContact CG-CB 4.26Å; E740-R804 WeakPolarHBondContact O-CD 3.29Å; E740-R804 PolarHBondContact O-NH1 3.33Å |
| 741 | S | 97.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.7 | -30.7 | 172.7 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | E730 S738 S739 W744 S745 | E730-S741 WeakPolarHBondContact OE1-CB 3.46Å; S738-S741 PolarHBondContact N-OG 2.86Å; S738-S741 WeakPolarHBondContact O-CB 3.14Å; S738-S741 PolarHBondContact O-N 3.37Å; S738-S741 PolarHBondContact O-OG 2.92Å; S739-S741 VanDerWaalsContact C-N 3.29Å; S739-S741 PolarHBondContact O-N 3.35Å; S741-W744 WeakPolarHBondContact O-CB 3.44Å; S741-W744 PolarHBondContact O-N 3.32Å; S741-S745 PolarHBondContact O-N 3.22Å; S741-S745 PolarHBondContact O-OG 3.48Å |
| 742 | D | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -73.2 | -30.6 | 170.5 | -76 | -29.2 | 0 | 0 | 0 | 111.8 | M672 I681 H682 R683 S738 S739 E740 W744 S745 Y746 F807 | M672-D742 HydrophobicContact CE-CB 3.65Å; I681-D742 WeakPolarHBondContact CA-OD2 3.36Å; H682-D742 PolarHBondContact N-OD2 3.47Å; R683-D742 PolarHBondContact N-OD1 2.84Å; S738-D742 PolarHBondContact O-N 3.26Å; S739-D742 CarbonylContact O-C 3.53Å; S739-D742 WeakPolarHBondContact O-CB 3.5Å; S739-D742 PolarHBondContact O-N 2.88Å; S739-D742 VanDerWaalsContact O-N 3.09Å; E740-D742 VanDerWaalsContact C-N 3.35Å; D742-W744 VanDerWaalsContact C-N 3.28Å; D742-W744 PolarHBondContact O-N 3.43Å; D742-S745 CarbonylContact O-C 3.51Å; D742-S745 WeakPolarHBondContact O-CA 3.35Å; D742-S745 WeakPolarHBondContact O-CB 3.48Å; D742-S745 PolarHBondContact O-N 3.47Å; D742-S745 VanDerWaalsContact O-N 3.13Å; D742-Y746 WeakPolarHBondContact O-CB 3.42Å; D742-Y746 PolarHBondContact O-N 3.36Å; D742-F807 HydrophobicContact CB-CE2 4.03Å; D742-F807 HydrophobicContact CB-CZ 4.01Å |
| 743 | V | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 172.4 | 169.6 | 0 | 0 | 0 | 0 | 111 | S739 E740 Y746 G747 C796 R804 P805 F807 L810 | S739-V743 WeakPolarHBondContact O-CG2 3.43Å; S739-V743 PolarHBondContact O-N 2.88Å; E740-V743 WeakPolarHBondContact O-CB 3.45Å; E740-V743 PolarHBondContact O-N 3.21Å; V743-Y746 WeakPolarHBondContact O-CB 3.43Å; V743-Y746 PolarHBondContact O-N 3.27Å; V743-G747 PolarHBondContact O-N 3.5Å; V743-C796 HydrophobicContact CG1-CB 4.04Å; V743-C796 WeakPolarHBondContact O-CB 3.39Å; V743-R804 HydrophobicContact CB-CB 4.5Å; V743-R804 HydrophobicContact CG1-CB 3.93Å; V743-P805 HydrophobicContact CG1-CG 4.46Å; V743-P805 WeakPolarHBondContact CG2-O 3.4Å; V743-F807 HydrophobicContact CB-CZ 4.37Å; V743-F807 HydrophobicContact CG2-CD1 4.47Å; V743-F807 HydrophobicContact CG2-CD2 3.97Å; V743-F807 HydrophobicContact CG2-CE1 4.16Å; V743-F807 HydrophobicContact CG2-CE2 3.62Å; V743-F807 HydrophobicContact CG2-CG 4.38Å; V743-F807 HydrophobicContact CG2-CZ 3.73Å; V743-L810 HydrophobicContact CG1-CD1 3.99Å; V743-L810 HydrophobicContact CG2-CD1 4.32Å |
| 744 | W | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.6 | -49.5 | 171.4 | -179.7 | -76.8 | 0 | 0 | 0 | 111.6 | T727 A728 P729 E740 S741 D742 Y746 G747 I748 V773 W797 | T727-W744 PolarHBondContact O-NE1 2.93Å; A728-W744 HydrophobicContact CB-CB 3.68Å; A728-W744 HydrophobicContact CB-CD2 4.14Å; A728-W744 HydrophobicContact CB-CG 3.74Å; P729-W744 HydrophobicContact CG-CH2 4.26Å; P729-W744 HydrophobicContact CG-CZ3 4.13Å; E740-W744 PolarHBondContact O-N 3.12Å; S741-W744 WeakPolarHBondContact O-CB 3.44Å; S741-W744 PolarHBondContact O-N 3.32Å; D742-W744 VanDerWaalsContact C-N 3.28Å; D742-W744 PolarHBondContact O-N 3.43Å; W744-Y746 PolarHBondContact O-N 2.93Å; W744-G747 WeakPolarHBondContact O-CA 3.32Å; W744-G747 PolarHBondContact O-N 2.97Å; W744-I748 PolarHBondContact O-N 3.48Å; W744-V773 HydrophobicContact CH2-CG1 3.62Å; W744-V773 HydrophobicContact CZ2-CG1 3.7Å; W744-V773 HydrophobicContact CZ2-CG2 4.3Å; W744-W797 AromaticContact CD2-CD1 3.83Å; W744-W797 AromaticContact CE2-CD1 3.96Å; W744-W797 HydrophobicContact CE3-CB 4.21Å; W744-W797 HydrophobicContact CH2-CB 4.25Å; W744-W797 HydrophobicContact CZ3-CB 4Å; W744-W797 WeakPolarHBondContact CZ3-O 3.31Å; W744-W797 PolarHBondContact O-NE1 3.15Å |
| 745 | S | 98.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 10.9 Ų | 10.9 | 4% | 0.035 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -58.5 | -37.8 | 177.8 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | W726 S741 D742 I748 L749 | W726-S745 WeakPolarHBondContact O-CA 3.35Å; W726-S745 PolarHBondContact O-OG 3.24Å; S741-S745 PolarHBondContact O-N 3.22Å; S741-S745 PolarHBondContact O-OG 3.48Å; D742-S745 CarbonylContact O-C 3.51Å; D742-S745 WeakPolarHBondContact O-CA 3.35Å; D742-S745 WeakPolarHBondContact O-CB 3.48Å; D742-S745 PolarHBondContact O-N 3.47Å; D742-S745 VanDerWaalsContact O-N 3.13Å; S745-I748 WeakPolarHBondContact O-CB 3.42Å; S745-I748 PolarHBondContact O-N 3.45Å; S745-I748 VanDerWaalsContact O-N 3.15Å; S745-L749 PolarHBondContact O-N 2.97Å |
| 746 | Y | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 174.5 | -178.8 | -101 | 0 | 0 | 0 | 112.5 | A665 A668 A669 L685 D742 V743 W744 I748 L749 L750 F807 L810 L814 | A665-Y746 PolarHBondContact O-OH 2.91Å; A668-Y746 HydrophobicContact CB-CE2 3.87Å; A669-Y746 HydrophobicContact CB-CE2 4.17Å; A669-Y746 WeakPolarHBondContact CB-OH 3.46Å; L685-Y746 HydrophobicContact CD2-CD2 4.16Å; D742-Y746 WeakPolarHBondContact O-CB 3.42Å; D742-Y746 PolarHBondContact O-N 3.36Å; V743-Y746 WeakPolarHBondContact O-CB 3.43Å; V743-Y746 PolarHBondContact O-N 3.27Å; W744-Y746 PolarHBondContact O-N 2.93Å; Y746-I748 VanDerWaalsContact C-N 3.27Å; Y746-I748 PolarHBondContact O-N 3Å; Y746-L749 HydrophobicContact CD2-CD2 4.15Å; Y746-L749 HydrophobicContact CE2-CD2 4.42Å; Y746-L749 WeakPolarHBondContact O-CB 3.41Å; Y746-L749 PolarHBondContact O-N 3.33Å; Y746-L750 HydrophobicContact CD1-CD1 4.09Å; Y746-L750 HydrophobicContact CD1-CG 4.2Å; Y746-L750 HydrophobicContact CE1-CD1 3.62Å; Y746-L750 HydrophobicContact CE1-CD2 4.07Å; Y746-L750 HydrophobicContact CE1-CG 3.79Å; Y746-L750 WeakPolarHBondContact O-CG 3.14Å; Y746-L750 PolarHBondContact O-N 3.41Å; Y746-F807 HydrophobicContact CD1-CE1 4.23Å; Y746-F807 HydrophobicContact CD2-CE1 4.01Å; Y746-F807 AromaticContact CG-CE1 3.71Å; Y746-F807 HydrophobicContact CG-CE1 3.71Å; Y746-L810 HydrophobicContact CD1-CD1 3.83Å; Y746-L810 HydrophobicContact CE1-CB 4.37Å; Y746-L810 HydrophobicContact CE1-CD1 4.1Å; Y746-L814 HydrophobicContact CE1-CD1 4.14Å; Y746-L814 WeakPolarHBondContact OH-CD1 3.48Å |
| 747 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -57.5 | -41 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V743 W744 L750 W751 W797 | V743-G747 PolarHBondContact O-N 3.5Å; W744-G747 WeakPolarHBondContact O-CA 3.32Å; W744-G747 PolarHBondContact O-N 2.97Å; G747-L750 WeakPolarHBondContact O-CB 3.47Å; G747-L750 PolarHBondContact O-N 3.21Å; G747-W751 PolarHBondContact O-N 3.48Å; G747-W797 VanDerWaalsContact C-CZ2 3.43Å; G747-W797 WeakPolarHBondContact O-CZ2 3.43Å |
| 748 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 174.9 | -52.9 | -65.2 | 0 | 0 | 0 | 111 | W726 W744 S745 Y746 L750 W751 E752 P760 Y761 M779 W797 | W726-I748 VanDerWaalsContact CD1-CG2 3.42Å; W726-I748 HydrophobicContact CD2-CG2 4.34Å; W726-I748 HydrophobicContact CG-CB 4.47Å; W726-I748 HydrophobicContact CG-CG2 3.96Å; W744-I748 PolarHBondContact O-N 3.48Å; S745-I748 WeakPolarHBondContact O-CB 3.42Å; S745-I748 PolarHBondContact O-N 3.45Å; S745-I748 VanDerWaalsContact O-N 3.15Å; Y746-I748 VanDerWaalsContact C-N 3.27Å; Y746-I748 PolarHBondContact O-N 3Å; I748-L750 VanDerWaalsContact C-N 3.32Å; I748-L750 PolarHBondContact O-N 3.43Å; I748-W751 WeakPolarHBondContact O-CA 3.34Å; I748-W751 WeakPolarHBondContact O-CB 3.48Å; I748-W751 PolarHBondContact O-N 2.96Å; I748-W751 VanDerWaalsContact O-N 3.07Å; I748-E752 WeakPolarHBondContact O-CG 3.34Å; I748-E752 PolarHBondContact O-N 3.5Å; I748-P760 HydrophobicContact CG2-CB 3.9Å; I748-P760 HydrophobicContact CG2-CG 3.55Å; I748-Y761 HydrophobicContact CD1-CE2 4.03Å; I748-M779 HydrophobicContact CD1-CE 3.39Å; I748-M779 HydrophobicContact CG2-CE 4.45Å; I748-W797 HydrophobicContact CD1-CZ2 3.84Å |
| 749 | L | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.6 | -41.4 | 174.7 | 173.9 | 65.6 | 0 | 0 | 0 | 112.2 | F645 A668 L685 A687 S745 Y746 W751 E752 T753 | F645-L749 HydrophobicContact CD1-CD1 4.18Å; F645-L749 HydrophobicContact CE1-CD1 4.24Å; A668-L749 HydrophobicContact CB-CD2 3.84Å; L685-L749 HydrophobicContact CD1-CD2 4.16Å; L685-L749 HydrophobicContact CD2-CD2 4.41Å; L685-L749 HydrophobicContact CG-CD2 4.24Å; A687-L749 HydrophobicContact CB-CD1 3.89Å; S745-L749 PolarHBondContact O-N 2.97Å; Y746-L749 HydrophobicContact CD2-CD2 4.15Å; Y746-L749 HydrophobicContact CE2-CD2 4.42Å; Y746-L749 WeakPolarHBondContact O-CB 3.41Å; Y746-L749 PolarHBondContact O-N 3.33Å; L749-W751 VanDerWaalsContact C-N 3.35Å; L749-E752 PolarHBondContact O-N 2.87Å; L749-T753 WeakPolarHBondContact O-CB 3.27Å; L749-T753 PolarHBondContact O-N 3.33Å; L749-T753 PolarHBondContact O-OG1 3.08Å |
| 750 | L | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 172.8 | -70.7 | -178.7 | 0 | 0 | 0 | 110.4 | A665 Y746 G747 I748 E752 T753 F754 V792 M793 L814 | A665-L750 HydrophobicContact CB-CD2 3.45Å; A665-L750 VanDerWaalsContact CB-CD2 3.45Å; Y746-L750 HydrophobicContact CD1-CD1 4.09Å; Y746-L750 HydrophobicContact CD1-CG 4.2Å; Y746-L750 HydrophobicContact CE1-CD1 3.62Å; Y746-L750 HydrophobicContact CE1-CD2 4.07Å; Y746-L750 HydrophobicContact CE1-CG 3.79Å; Y746-L750 WeakPolarHBondContact O-CG 3.14Å; Y746-L750 PolarHBondContact O-N 3.41Å; G747-L750 WeakPolarHBondContact O-CB 3.47Å; G747-L750 PolarHBondContact O-N 3.21Å; I748-L750 VanDerWaalsContact C-N 3.32Å; I748-L750 PolarHBondContact O-N 3.43Å; L750-E752 PolarHBondContact O-N 3.07Å; L750-T753 WeakPolarHBondContact O-CB 3.37Å; L750-T753 PolarHBondContact O-N 2.94Å; L750-T753 VanDerWaalsContact O-N 3.11Å; L750-F754 HydrophobicContact CD2-CE2 4.41Å; L750-F754 VanDerWaalsContact O-CD2 3.28Å; L750-F754 WeakPolarHBondContact O-CD2 3.32Å; L750-F754 PolarHBondContact O-N 3.15Å; L750-V792 HydrophobicContact CD1-CG1 3.95Å; L750-M793 HydrophobicContact CB-CE 3.89Å; L750-M793 HydrophobicContact CB-CG 3.77Å; L750-M793 HydrophobicContact CB-SD 4.25Å; L750-M793 HydrophobicContact CD1-CG 3.99Å; L750-L814 HydrophobicContact CD2-CD1 4.36Å |
| 751 | W | 98.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 10.9 Ų | 10.9 | 5% | 0.053 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 177.5 | -167.5 | 92.9 | 0 | 0 | 0 | 112.4 | G747 I748 L749 T753 F754 S755 V758 P762 M779 S780 P782 M793 W797 | G747-W751 PolarHBondContact O-N 3.48Å; I748-W751 WeakPolarHBondContact O-CA 3.34Å; I748-W751 WeakPolarHBondContact O-CB 3.48Å; I748-W751 PolarHBondContact O-N 2.96Å; I748-W751 VanDerWaalsContact O-N 3.07Å; L749-W751 VanDerWaalsContact C-N 3.35Å; W751-T753 VanDerWaalsContact C-N 3.31Å; W751-T753 PolarHBondContact O-N 3.44Å; W751-F754 PolarHBondContact O-N 3.26Å; W751-S755 WeakPolarHBondContact CZ3-OG 3.25Å; W751-S755 WeakPolarHBondContact O-CB 3.35Å; W751-S755 PolarHBondContact O-N 3.15Å; W751-S755 PolarHBondContact O-OG 3.42Å; W751-V758 HydrophobicContact CH2-CB 3.99Å; W751-V758 HydrophobicContact CH2-CG1 3.73Å; W751-V758 HydrophobicContact CZ3-CB 3.93Å; W751-V758 HydrophobicContact CZ3-CG1 4.01Å; W751-P762 HydrophobicContact CH2-CG 4.48Å; W751-M779 HydrophobicContact CB-CE 3.96Å; W751-M779 HydrophobicContact CD2-CE 3.89Å; W751-M779 HydrophobicContact CD2-SD 3.81Å; W751-M779 HydrophobicContact CE3-CE 4.31Å; W751-M779 HydrophobicContact CE3-SD 4.09Å; W751-M779 HydrophobicContact CG-CE 3.72Å; W751-M779 HydrophobicContact CG-SD 4.2Å; W751-M779 HydrophobicContact CZ2-SD 4.25Å; W751-M779 HydrophobicContact CZ3-SD 4.43Å; W751-S780 PolarHBondContact NE1-O 3.38Å; W751-P782 HydrophobicContact CG-CG 4.25Å; W751-M793 HydrophobicContact CB-SD 4.08Å; W751-W797 HydrophobicContact CB-CH2 3.97Å; W751-W797 HydrophobicContact CB-CZ2 4.02Å; W751-W797 AromaticContact CD1-CH2 3.87Å; W751-W797 HydrophobicContact CG-CH2 4.18Å |
| 752 | E | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 172.4 | -69.3 | -175.7 | 102.8 | 0 | 0 | 111.5 | A687 W726 I748 L749 L750 S755 L756 G757 P760 | A687-E752 HydrophobicContact CB-CB 4.09Å; A687-E752 PolarHBondContact N-OE2 3.32Å; W726-E752 WeakPolarHBondContact CZ2-OE1 3.4Å; W726-E752 PolarHBondContact NE1-OE2 3.47Å; I748-E752 WeakPolarHBondContact O-CG 3.34Å; I748-E752 PolarHBondContact O-N 3.5Å; L749-E752 PolarHBondContact O-N 2.87Å; L750-E752 PolarHBondContact O-N 3.07Å; E752-S755 WeakPolarHBondContact CA-OG 3.32Å; E752-S755 PolarHBondContact O-OG 3.49Å; E752-L756 PolarHBondContact O-N 2.92Å; E752-L756 VanDerWaalsContact O-N 3.14Å; E752-G757 PolarHBondContact O-N 3.1Å; E752-P760 HydrophobicContact CG-CG 3.84Å |
| 753 | T | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.3 | -51.3 | -179.7 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | F645 L661 L749 L750 W751 L756 | F645-T753 HydrophobicContact CE1-CG2 4.41Å; F645-T753 WeakPolarHBondContact CE1-OG1 3.36Å; F645-T753 HydrophobicContact CZ-CG2 3.96Å; L661-T753 HydrophobicContact CB-CG2 3.94Å; L661-T753 HydrophobicContact CD2-CG2 4Å; L661-T753 HydrophobicContact CG-CG2 4.49Å; L749-T753 WeakPolarHBondContact O-CB 3.27Å; L749-T753 PolarHBondContact O-N 3.33Å; L749-T753 PolarHBondContact O-OG1 3.08Å; L750-T753 WeakPolarHBondContact O-CB 3.37Å; L750-T753 PolarHBondContact O-N 2.94Å; L750-T753 VanDerWaalsContact O-N 3.11Å; W751-T753 VanDerWaalsContact C-N 3.31Å; W751-T753 PolarHBondContact O-N 3.44Å; T753-L756 PolarHBondContact O-N 3.29Å |
| 754 | F | 97.6 | Very high | 97 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -84.7 | -12.7 | -175.1 | -71.3 | -87.2 | 0 | 0 | 0 | 113.9 | T658 L661 V662 A665 L750 W751 L756 P782 C785 P786 V789 M793 | T658-F754 HydrophobicContact CG2-CE1 4.25Å; L661-F754 HydrophobicContact CB-CD1 4.29Å; L661-F754 HydrophobicContact CB-CE1 3.85Å; L661-F754 HydrophobicContact CB-CZ 4.05Å; L661-F754 HydrophobicContact CD1-CD1 4.13Å; L661-F754 HydrophobicContact CD1-CE1 4.43Å; V662-F754 HydrophobicContact CG2-CE1 4.1Å; V662-F754 HydrophobicContact CG2-CZ 3.81Å; A665-F754 HydrophobicContact CB-CE2 4.5Å; L750-F754 HydrophobicContact CD2-CE2 4.41Å; L750-F754 VanDerWaalsContact O-CD2 3.28Å; L750-F754 WeakPolarHBondContact O-CD2 3.32Å; L750-F754 PolarHBondContact O-N 3.15Å; W751-F754 PolarHBondContact O-N 3.26Å; F754-L756 VanDerWaalsContact C-N 3.35Å; F754-P782 HydrophobicContact CB-CB 4.36Å; F754-P782 HydrophobicContact CB-CG 4.22Å; F754-P782 WeakPolarHBondContact O-CB 3.29Å; F754-C785 HydrophobicContact CB-CB 3.89Å; F754-C785 HydrophobicContact CD1-CB 4.37Å; F754-C785 HydrophobicContact CG-CB 4.3Å; F754-P786 HydrophobicContact CE1-CG 4.48Å; F754-V789 HydrophobicContact CD2-CG1 3.81Å; F754-V789 HydrophobicContact CE1-CG1 4.36Å; F754-V789 HydrophobicContact CE1-CG2 4.39Å; F754-V789 HydrophobicContact CE2-CB 4.5Å; F754-V789 HydrophobicContact CE2-CG1 3.41Å; F754-V789 VanDerWaalsContact CE2-CG1 3.41Å; F754-V789 HydrophobicContact CG-CG1 4.49Å; F754-V789 HydrophobicContact CZ-CB 4.38Å; F754-V789 HydrophobicContact CZ-CG1 3.71Å; F754-V789 HydrophobicContact CZ-CG2 4.02Å; F754-M793 HydrophobicContact CB-CE 4.06Å; F754-M793 HydrophobicContact CD2-CE 3.72Å; F754-M793 HydrophobicContact CG-CE 4.14Å |
| 755 | S | 96.6 | Very high | 96.8 | Very high | 20 Ų | 20 | 24.5 Ų | 24.5 | 14% | 0.14 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -0.7 | 166.3 | 66.7 | 0 | 0 | 0 | 0 | 113.4 | W751 E752 V758 | W751-S755 WeakPolarHBondContact CZ3-OG 3.25Å; W751-S755 WeakPolarHBondContact O-CB 3.35Å; W751-S755 PolarHBondContact O-N 3.15Å; W751-S755 PolarHBondContact O-OG 3.42Å; E752-S755 WeakPolarHBondContact CA-OG 3.32Å; E752-S755 PolarHBondContact O-OG 3.49Å; S755-V758 WeakPolarHBondContact O-CG2 3.23Å; S755-V758 PolarHBondContact OG-N 2.8Å |
| 756 | L | 96.7 | Very high | 96.6 | Very high | 35 Ų | 35 | 27.9 Ų | 27.9 | 18% | 0.183 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 40.9 | -178.5 | -53.3 | 171.7 | 0 | 0 | 0 | 112.9 | K653 L656 L661 E752 T753 F754 | K653-L756 HydrophobicContact CB-CB 4.17Å; K653-L756 HydrophobicContact CB-CD1 4.04Å; L656-L756 HydrophobicContact CB-CD2 4.48Å; L656-L756 HydrophobicContact CD1-CD2 4.43Å; L661-L756 HydrophobicContact CD1-CD2 3.96Å; L661-L756 HydrophobicContact CD2-CD2 4.1Å; E752-L756 PolarHBondContact O-N 2.92Å; E752-L756 VanDerWaalsContact O-N 3.14Å; T753-L756 PolarHBondContact O-N 3.29Å; F754-L756 VanDerWaalsContact C-N 3.35Å |
| 757 | G | 95.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 85.4 | 24.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R650 E752 | R650-G757 VanDerWaalsContact CZ-O 3.32Å; R650-G757 PolarHBondContact NE-O 3.39Å; R650-G757 PolarHBondContact NH2-O 3.42Å; E752-G757 PolarHBondContact O-N 3.1Å |
| 758 | V | 95.8 | Very high | 96 | Very high | 66 Ų | 66 | 38.5 Ų | 38.5 | 40% | 0.4 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 144.8 | 169.6 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | W751 S755 P760 | W751-V758 HydrophobicContact CH2-CB 3.99Å; W751-V758 HydrophobicContact CH2-CG1 3.73Å; W751-V758 HydrophobicContact CZ3-CB 3.93Å; W751-V758 HydrophobicContact CZ3-CG1 4.01Å; S755-V758 WeakPolarHBondContact O-CG2 3.23Å; S755-V758 PolarHBondContact OG-N 2.8Å; V758-P760 WeakPolarHBondContact O-CD 3.42Å |
| 759 | C | 95 | Very high | 95.7 | Very high | 63 Ų | 63 | 38.6 Ų | 38.6 | 43% | 0.426 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -65.1 | 127.6 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 760 | P | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -55.4 | 147.1 | 176.8 | -28.1 | 36.6 | 0 | 0 | 0 | 112.7 | K725 W726 I748 E752 V758 M779 | K725-P760 HydrophobicContact CB-CB 4.44Å; K725-P760 WeakPolarHBondContact CD-O 3.27Å; K725-P760 PolarHBondContact NZ-O 2.92Å; W726-P760 HydrophobicContact CH2-CG 4.1Å; W726-P760 HydrophobicContact CZ2-CG 3.56Å; I748-P760 HydrophobicContact CG2-CB 3.9Å; I748-P760 HydrophobicContact CG2-CG 3.55Å; E752-P760 HydrophobicContact CG-CG 3.84Å; V758-P760 WeakPolarHBondContact O-CD 3.42Å; P760-M779 HydrophobicContact CB-CE 4.2Å; P760-M779 HydrophobicContact CB-SD 3.98Å |
| 761 | Y | 96.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 51.9 | 64 | -175.4 | -50.2 | -91.1 | 0 | 0 | 0 | 111.1 | K725 I748 G763 M764 A769 V773 Y777 M779 | K725-Y761 HydrophobicContact CB-CD2 3.92Å; K725-Y761 HydrophobicContact CB-CE2 4.15Å; K725-Y761 HydrophobicContact CD-CD2 4.27Å; K725-Y761 HydrophobicContact CG-CD2 3.95Å; K725-Y761 PolarHBondContact NZ-O 3.32Å; K725-Y761 VanDerWaalsContact O-CE2 3.28Å; K725-Y761 WeakPolarHBondContact O-CE2 3.49Å; I748-Y761 HydrophobicContact CD1-CE2 4.03Å; Y761-G763 PolarHBondContact O-N 3.11Å; Y761-M764 HydrophobicContact CD1-SD 4.34Å; Y761-M764 WeakPolarHBondContact O-CB 3.31Å; Y761-M764 PolarHBondContact O-N 3.47Å; Y761-M764 VanDerWaalsContact O-N 3.08Å; Y761-A769 HydrophobicContact CD1-CB 4.11Å; Y761-A769 HydrophobicContact CD2-CB 4.15Å; Y761-A769 HydrophobicContact CG-CB 3.8Å; Y761-V773 HydrophobicContact CE1-CG2 3.74Å; Y761-Y777 HydrophobicContact CD1-CD1 4.37Å; Y761-Y777 AromaticContact CD1-CE1 3.95Å; Y761-Y777 HydrophobicContact CD1-CE1 3.95Å; Y761-Y777 HydrophobicContact CE1-CD1 4.36Å; Y761-Y777 HydrophobicContact CE1-CE1 4.21Å; Y761-M779 HydrophobicContact CD1-CG 3.88Å; Y761-M779 HydrophobicContact CD1-SD 4.27Å; Y761-M779 HydrophobicContact CD2-SD 4.07Å; Y761-M779 HydrophobicContact CE1-CG 3.83Å; Y761-M779 HydrophobicContact CE1-SD 4.35Å; Y761-M779 HydrophobicContact CE2-CE 4.16Å; Y761-M779 HydrophobicContact CE2-SD 4.13Å; Y761-M779 HydrophobicContact CG-CG 4.32Å; Y761-M779 HydrophobicContact CG-SD 4.12Å; Y761-M779 PolarHBondContact N-SD 2.89Å |
| 762 | P | 92.8 | Very high | 95.1 | Very high | 78 Ų | 78 | 50 Ų | 50 | 51% | 0.506 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 136 | -175.6 | 24.8 | -34.1 | 0 | 0 | 0 | 110.7 | W751 M764 | W751-P762 HydrophobicContact CH2-CG 4.48Å; P762-M764 PolarHBondContact O-N 2.89Å |
| 763 | G | 92 | Very high | 94.9 | Very high | 86 Ų | 86 | 50.3 Ų | 50.3 | 89% | 0.887 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -4.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y761 | Y761-G763 PolarHBondContact O-N 3.11Š|
| 764 | M | 95.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | trans | -103 | 137.7 | 179 | -56.9 | -178.4 | -173.6 | 0 | 0 | 112.1 | K725 Y761 P762 Q768 A769 Q772 Y777 | K725-M764 VanDerWaalsContact CE-O 3.32Å; K725-M764 WeakPolarHBondContact CE-O 3.28Å; K725-M764 PolarHBondContact NZ-O 3.48Å; Y761-M764 HydrophobicContact CD1-SD 4.34Å; Y761-M764 WeakPolarHBondContact O-CB 3.31Å; Y761-M764 PolarHBondContact O-N 3.47Å; Y761-M764 VanDerWaalsContact O-N 3.08Å; P762-M764 PolarHBondContact O-N 2.89Å; M764-Q768 HydrophobicContact CB-CB 4.15Å; M764-A769 HydrophobicContact CB-CB 4.37Å; M764-Q772 HydrophobicContact CE-CG 4.31Å; M764-Q772 HydrophobicContact SD-CB 4.42Å; M764-Q772 HydrophobicContact SD-CG 4.11Å; M764-Y777 HydrophobicContact CE-CE1 4.04Å | ||
| 765 | T | 95 | Very high | 94.5 | Very high | 80 Ų | 80 | 60.7 Ų | 60.7 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | trans | -69 | 166.1 | 164.3 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | Q767 Q768 A769 | T765-Q767 VanDerWaalsContact C-N 3.28Å; T765-Q767 PolarHBondContact O-N 3.18Å; T765-Q768 PolarHBondContact O-N 3.18Å; T765-Q768 VanDerWaalsContact OG1-CG 3.31Å; T765-Q768 WeakPolarHBondContact OG1-CG 3.5Å; T765-Q768 PolarHBondContact OG1-N 3Å; T765-Q768 PolarHBondContact OG1-OE1 3.34Å; T765-A769 WeakPolarHBondContact O-CB 3.45Å; T765-A769 PolarHBondContact O-N 2.92Å | ||
| 766 | N | 93.4 | Very high | 94.3 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.6 | -40.2 | 176.7 | -75.2 | -10.5 | 0 | 0 | 0 | 112.7 | I724 R770 | I724-N766 HydrophobicContact CB-CB 4.01Å; I724-N766 HydrophobicContact CD1-CB 3.7Å; I724-N766 HydrophobicContact CG1-CB 4.43Å; I724-N766 HydrophobicContact CG2-CB 3.94Å; N766-R770 PolarHBondContact O-N 3.45Å; N766-R770 VanDerWaalsContact O-N 3.12Å |
| 767 | Q | 91.1 | Very high | 94.3 | Very high | 133 Ų | 133 | 64 Ų | 64 | 62% | 0.621 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.3 | -47.7 | 177.8 | -179.8 | 176.8 | -6.5 | 0 | 0 | 111.4 | T765 A769 R770 E771 | T765-Q767 VanDerWaalsContact C-N 3.28Å; T765-Q767 PolarHBondContact O-N 3.18Å; Q767-A769 VanDerWaalsContact C-N 3.34Å; Q767-A769 PolarHBondContact O-N 3.37Å; Q767-R770 WeakPolarHBondContact O-CB 3.38Å; Q767-R770 PolarHBondContact O-N 3.27Å; Q767-E771 VanDerWaalsContact CG-OE1 3.31Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.29Å; Q767-E771 PolarHBondContact NE2-OE1 3.37Å; Q767-E771 WeakPolarHBondContact O-CG 3.34Å; Q767-E771 PolarHBondContact O-N 3.33Å |
| 768 | Q | 94.4 | Very high | 94.3 | Very high | 90 Ų | 90 | 66.4 Ų | 66.4 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 178.1 | -72.5 | 165.8 | -37.6 | 0 | 0 | 111.9 | M764 T765 R770 E771 Q772 | M764-Q768 HydrophobicContact CB-CB 4.15Å; T765-Q768 PolarHBondContact O-N 3.18Å; T765-Q768 VanDerWaalsContact OG1-CG 3.31Å; T765-Q768 WeakPolarHBondContact OG1-CG 3.5Å; T765-Q768 PolarHBondContact OG1-N 3Å; T765-Q768 PolarHBondContact OG1-OE1 3.34Å; Q768-R770 VanDerWaalsContact C-N 3.34Å; Q768-R770 PolarHBondContact O-N 2.92Å; Q768-E771 PolarHBondContact O-N 3.38Å; Q768-Q772 WeakPolarHBondContact O-CB 3.42Å; Q768-Q772 VanDerWaalsContact O-CG 3.22Å; Q768-Q772 WeakPolarHBondContact O-CG 3.36Å; Q768-Q772 PolarHBondContact O-N 2.83Å |
| 769 | A | 93.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K725 Y761 M764 T765 Q767 Q772 V773 | K725-A769 HydrophobicContact CG-CB 4.27Å; Y761-A769 HydrophobicContact CD1-CB 4.11Å; Y761-A769 HydrophobicContact CD2-CB 4.15Å; Y761-A769 HydrophobicContact CG-CB 3.8Å; M764-A769 HydrophobicContact CB-CB 4.37Å; T765-A769 WeakPolarHBondContact O-CB 3.45Å; T765-A769 PolarHBondContact O-N 2.92Å; Q767-A769 VanDerWaalsContact C-N 3.34Å; Q767-A769 PolarHBondContact O-N 3.37Å; A769-Q772 PolarHBondContact O-N 3.27Å; A769-V773 WeakPolarHBondContact O-CB 3.38Å; A769-V773 VanDerWaalsContact O-CG2 3.3Å; A769-V773 WeakPolarHBondContact O-CG2 3.46Å; A769-V773 PolarHBondContact O-N 2.91Å |
| 770 | R | 93.2 | Very high | 94.4 | Very high | 97 Ų | 97 | 64 Ų | 64 | 37% | 0.366 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.9 | -52.5 | 174.3 | -178.5 | -177.7 | -177.6 | 161.3 | 3 | 111.5 | L732 N733 N766 Q767 Q768 Q772 V773 E774 | L732-R770 PolarHBondContact O-NH2 2.9Å; N733-R770 PolarHBondContact OD1-NE 3.1Å; N733-R770 PolarHBondContact OD1-NH2 2.86Å; N766-R770 PolarHBondContact O-N 3.45Å; N766-R770 VanDerWaalsContact O-N 3.12Å; Q767-R770 WeakPolarHBondContact O-CB 3.38Å; Q767-R770 PolarHBondContact O-N 3.27Å; Q768-R770 VanDerWaalsContact C-N 3.34Å; Q768-R770 PolarHBondContact O-N 2.92Å; R770-Q772 VanDerWaalsContact C-N 3.3Å; R770-Q772 PolarHBondContact O-N 3.33Å; R770-V773 PolarHBondContact O-N 3.01Å; R770-E774 WeakPolarHBondContact O-CG 3.37Å; R770-E774 PolarHBondContact O-N 3.27Å; R770-E774 VanDerWaalsContact O-N 3.11Å |
| 771 | E | 92.7 | Very high | 94.4 | Very high | 85 Ų | 85 | 66.2 Ų | 66.2 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | -179.1 | -71.7 | 171.8 | -168.3 | 0 | 0 | 112.8 | Q767 Q768 K775 | Q767-E771 VanDerWaalsContact CG-OE1 3.31Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.29Å; Q767-E771 PolarHBondContact NE2-OE1 3.37Å; Q767-E771 WeakPolarHBondContact O-CG 3.34Å; Q767-E771 PolarHBondContact O-N 3.33Å; Q768-E771 PolarHBondContact O-N 3.38Å; E771-K775 WeakPolarHBondContact O-CG 3.31Å; E771-K775 PolarHBondContact O-N 3.49Å |
| 772 | Q | 95.3 | Very high | 94.3 | Very high | 73 Ų | 73 | 66.7 Ų | 66.7 | 34% | 0.341 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70 | -41.9 | 177.8 | -71.1 | -68 | -9.6 | 0 | 0 | 111.7 | M764 Q768 A769 R770 E774 K775 G776 Y777 | M764-Q772 HydrophobicContact CE-CG 4.31Å; M764-Q772 HydrophobicContact SD-CB 4.42Å; M764-Q772 HydrophobicContact SD-CG 4.11Å; Q768-Q772 WeakPolarHBondContact O-CB 3.42Å; Q768-Q772 VanDerWaalsContact O-CG 3.22Å; Q768-Q772 WeakPolarHBondContact O-CG 3.36Å; Q768-Q772 PolarHBondContact O-N 2.83Å; A769-Q772 PolarHBondContact O-N 3.27Å; R770-Q772 VanDerWaalsContact C-N 3.3Å; R770-Q772 PolarHBondContact O-N 3.33Å; Q772-E774 VanDerWaalsContact C-N 3.29Å; Q772-E774 PolarHBondContact O-N 3.37Å; Q772-K775 CarbonylContact O-C 3.58Å; Q772-K775 WeakPolarHBondContact O-CA 3.38Å; Q772-K775 WeakPolarHBondContact O-CB 3.35Å; Q772-K775 PolarHBondContact O-N 3.26Å; Q772-G776 PolarHBondContact O-N 3.48Å; Q772-Y777 HydrophobicContact CB-CD1 4.11Å; Q772-Y777 HydrophobicContact CB-CG 4.25Å; Q772-Y777 VanDerWaalsContact O-CB 3.23Å; Q772-Y777 WeakPolarHBondContact O-CB 3.46Å; Q772-Y777 PolarHBondContact O-N 3.47Å |
| 773 | V | 95.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 72.3 Ų | 72.3 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 176 | 165.4 | 0 | 0 | 0 | 0 | 111.4 | P729 W744 Y761 A769 R770 K775 G776 R778 | P729-V773 HydrophobicContact CB-CG1 4.5Å; W744-V773 HydrophobicContact CH2-CG1 3.62Å; W744-V773 HydrophobicContact CZ2-CG1 3.7Å; W744-V773 HydrophobicContact CZ2-CG2 4.3Å; Y761-V773 HydrophobicContact CE1-CG2 3.74Å; A769-V773 WeakPolarHBondContact O-CB 3.38Å; A769-V773 VanDerWaalsContact O-CG2 3.3Å; A769-V773 WeakPolarHBondContact O-CG2 3.46Å; A769-V773 PolarHBondContact O-N 2.91Å; R770-V773 PolarHBondContact O-N 3.01Å; V773-K775 VanDerWaalsContact C-N 3.29Å; V773-K775 PolarHBondContact O-N 2.92Å; V773-G776 PolarHBondContact O-N 3.47Å; V773-G776 VanDerWaalsContact O-N 3.07Å; V773-R778 PolarHBondContact O-NH1 2.84Å |
| 774 | E | 92 | Very high | 93.7 | Very high | 71 Ų | 71 | 76.7 Ų | 76.7 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.8 | -34 | 173.7 | -68.4 | -57.3 | 153.3 | 0 | 0 | 112.7 | N733 R770 Q772 G776 Y799 | N733-E774 PolarHBondContact ND2-OE1 3.17Å; R770-E774 WeakPolarHBondContact O-CG 3.37Å; R770-E774 PolarHBondContact O-N 3.27Å; R770-E774 VanDerWaalsContact O-N 3.11Å; Q772-E774 VanDerWaalsContact C-N 3.29Å; Q772-E774 PolarHBondContact O-N 3.37Å; E774-G776 PolarHBondContact O-N 2.97Å; E774-Y799 PolarHBondContact OE2-OH 2.88Å |
| 775 | K | 94.4 | Very high | 93.6 | Very high | 155 Ų | 155 | 75 Ų | 75 | 67% | 0.674 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 4.3 | 174.5 | -68.7 | 172.9 | -175.6 | 176 | 0 | 113.6 | E771 Q772 V773 | E771-K775 WeakPolarHBondContact O-CG 3.31Å; E771-K775 PolarHBondContact O-N 3.49Å; Q772-K775 CarbonylContact O-C 3.58Å; Q772-K775 WeakPolarHBondContact O-CA 3.38Å; Q772-K775 WeakPolarHBondContact O-CB 3.35Å; Q772-K775 PolarHBondContact O-N 3.26Å; V773-K775 VanDerWaalsContact C-N 3.29Å; V773-K775 PolarHBondContact O-N 2.92Å |
| 776 | G | 93.2 | Very high | 93.6 | Very high | 50 Ų | 50 | 73 Ų | 73 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 3.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q772 V773 E774 | Q772-G776 PolarHBondContact O-N 3.48Å; V773-G776 PolarHBondContact O-N 3.47Å; V773-G776 VanDerWaalsContact O-N 3.07Å; E774-G776 PolarHBondContact O-N 2.97Å |
| 777 | Y | 96.5 | Very high | 93.7 | Very high | 74 Ų | 74 | 75.1 Ų | 75.1 | 29% | 0.29 | 37% | 0.369 | S | S | . | . | trans | -64.7 | 140.8 | 175.7 | 174.5 | -99.1 | 0 | 0 | 0 | 111.4 | Y761 M764 Q772 M779 | Y761-Y777 HydrophobicContact CD1-CD1 4.37Å; Y761-Y777 AromaticContact CD1-CE1 3.95Å; Y761-Y777 HydrophobicContact CD1-CE1 3.95Å; Y761-Y777 HydrophobicContact CE1-CD1 4.36Å; Y761-Y777 HydrophobicContact CE1-CE1 4.21Å; M764-Y777 HydrophobicContact CE-CE1 4.04Å; Q772-Y777 HydrophobicContact CB-CD1 4.11Å; Q772-Y777 HydrophobicContact CB-CG 4.25Å; Q772-Y777 VanDerWaalsContact O-CB 3.23Å; Q772-Y777 WeakPolarHBondContact O-CB 3.46Å; Q772-Y777 PolarHBondContact O-N 3.47Å; Y777-M779 HydrophobicContact CE1-CG 4.35Å | ||
| 778 | R | 96.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 71.5 Ų | 71.5 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -133.5 | 148.8 | 169.3 | -61.6 | -61 | -178.3 | -90.7 | -0.9 | 109.3 | V773 W797 | V773-R778 PolarHBondContact O-NH1 2.84Å; R778-W797 HydrophobicContact CB-CE3 4.23Å; R778-W797 HydrophobicContact CG-CB 4.41Å; R778-W797 PolarHBondContact NE-O 3Å; R778-W797 PolarHBondContact NH2-O 3.4Å; R778-W797 VanDerWaalsContact NH2-O 3.08Å | ||
| 779 | M | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 141 | -177.5 | -68.9 | -174.3 | -69.6 | 0 | 0 | 111.7 | I748 W751 P760 Y761 Y777 Y790 W797 | I748-M779 HydrophobicContact CD1-CE 3.39Å; I748-M779 HydrophobicContact CG2-CE 4.45Å; W751-M779 HydrophobicContact CB-CE 3.96Å; W751-M779 HydrophobicContact CD2-CE 3.89Å; W751-M779 HydrophobicContact CD2-SD 3.81Å; W751-M779 HydrophobicContact CE3-CE 4.31Å; W751-M779 HydrophobicContact CE3-SD 4.09Å; W751-M779 HydrophobicContact CG-CE 3.72Å; W751-M779 HydrophobicContact CG-SD 4.2Å; W751-M779 HydrophobicContact CZ2-SD 4.25Å; W751-M779 HydrophobicContact CZ3-SD 4.43Å; P760-M779 HydrophobicContact CB-CE 4.2Å; P760-M779 HydrophobicContact CB-SD 3.98Å; Y761-M779 HydrophobicContact CD1-CG 3.88Å; Y761-M779 HydrophobicContact CD1-SD 4.27Å; Y761-M779 HydrophobicContact CD2-SD 4.07Å; Y761-M779 HydrophobicContact CE1-CG 3.83Å; Y761-M779 HydrophobicContact CE1-SD 4.35Å; Y761-M779 HydrophobicContact CE2-CE 4.16Å; Y761-M779 HydrophobicContact CE2-SD 4.13Å; Y761-M779 HydrophobicContact CG-CG 4.32Å; Y761-M779 HydrophobicContact CG-SD 4.12Å; Y761-M779 PolarHBondContact N-SD 2.89Å; Y777-M779 HydrophobicContact CE1-CG 4.35Å; M779-Y790 PolarHBondContact O-OH 3.37Å; M779-W797 HydrophobicContact CB-CH2 4.21Å; M779-W797 HydrophobicContact CB-CZ3 4.4Å; M779-W797 HydrophobicContact CE-CH2 3.9Å; M779-W797 HydrophobicContact CE-CZ2 3.69Å |
| 780 | S | 95.8 | Very high | 94.1 | Very high | 79 Ų | 79 | 68.8 Ų | 68.8 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 157.7 | 176.6 | 54 | 0 | 0 | 0 | 0 | 112.3 | W751 | W751-S780 PolarHBondContact NE1-O 3.38Š|
| 781 | C | 96.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 69.5 Ų | 69.5 | 31% | 0.311 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 127.3 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | Y790 | C781-Y790 VanDerWaalsContact CA-CE2 3.44Å; C781-Y790 HydrophobicContact CB-CD1 3.73Å; C781-Y790 HydrophobicContact CB-CD2 3.75Å; C781-Y790 HydrophobicContact CB-CE1 3.82Å; C781-Y790 HydrophobicContact CB-CE2 3.86Å; C781-Y790 HydrophobicContact CB-CG 3.69Å; C781-Y790 PolarHBondContact N-OH 2.95Å; C781-Y790 VanDerWaalsContact SG-CG 3.58Å |
| 782 | P | 95.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 65.7 Ų | 65.7 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 143.1 | 172.3 | -20.6 | 31.2 | 0 | 0 | 0 | 111.7 | W751 F754 R784 C785 | W751-P782 HydrophobicContact CG-CG 4.25Å; F754-P782 HydrophobicContact CB-CB 4.36Å; F754-P782 HydrophobicContact CB-CG 4.22Å; F754-P782 WeakPolarHBondContact O-CB 3.29Å; P782-R784 PolarHBondContact O-N 3.01Å; P782-C785 HydrophobicContact CB-CB 4.01Å; P782-C785 HydrophobicContact CG-CB 4.16Å; P782-C785 VanDerWaalsContact O-CB 3.23Å; P782-C785 WeakPolarHBondContact O-CB 3.41Å; P782-C785 PolarHBondContact O-N 3.41Å |
| 783 | Q | 87.3 | Confident | 94.7 | Very high | 197 Ų | 197 | 62.2 Ų | 62.2 | 92% | 0.921 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -26.5 | -170.1 | -166.4 | -179.6 | 14.5 | 0 | 0 | 115.4 | ||
| 784 | R | 83.4 | Confident | 94.8 | Very high | 177 Ų | 177 | 66 Ų | 66 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 14.3 | -179.3 | -62 | -177 | -179.2 | 178.5 | 0.4 | 113.3 | P782 | P782-R784 PolarHBondContact O-N 3.01Š|
| 785 | C | 94.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 66.6 Ų | 66.6 | 8% | 0.081 | 33% | 0.328 | C | S | . | . | trans | -81.6 | 129.3 | 179 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | F754 P782 M793 | F754-C785 HydrophobicContact CB-CB 3.89Å; F754-C785 HydrophobicContact CD1-CB 4.37Å; F754-C785 HydrophobicContact CG-CB 4.3Å; P782-C785 HydrophobicContact CB-CB 4.01Å; P782-C785 HydrophobicContact CG-CB 4.16Å; P782-C785 VanDerWaalsContact O-CB 3.23Å; P782-C785 WeakPolarHBondContact O-CB 3.41Å; P782-C785 PolarHBondContact O-N 3.41Å; C785-M793 WeakPolarHBondContact SG-CE 3.41Å | ||
| 786 | P | 94.9 | Very high | 95.3 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 26% | 0.26 | 30% | 0.296 | S | S | . | . | trans | -62.2 | 139.1 | 170.1 | -20.8 | 32.7 | 0 | 0 | 0 | 111.5 | T658 F754 D788 V789 Y790 | T658-P786 HydrophobicContact CG2-CG 3.51Å; F754-P786 HydrophobicContact CE1-CG 4.48Å; P786-D788 PolarHBondContact O-N 3.44Å; P786-V789 HydrophobicContact CB-CG2 4.06Å; P786-V789 HydrophobicContact CG-CG2 4.1Å; P786-V789 WeakPolarHBondContact O-CA 3.4Å; P786-V789 WeakPolarHBondContact O-CB 3.43Å; P786-V789 PolarHBondContact O-N 2.7Å; P786-Y790 PolarHBondContact O-N 3.06Å | ||
| 787 | D | 94.5 | Very high | 95.6 | Very high | 119 Ų | 119 | 57 Ų | 57 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -55.5 | -39.4 | -178.9 | -67.7 | -24.1 | 0 | 0 | 0 | 112.8 | V789 Y790 K791 | D787-V789 PolarHBondContact O-N 3.39Å; D787-Y790 PolarHBondContact O-N 2.85Å; D787-Y790 VanDerWaalsContact O-N 3.15Å; D787-K791 WeakPolarHBondContact O-CG 3.29Å; D787-K791 PolarHBondContact O-N 3.34Å |
| 788 | D | 94.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -32.7 | 178.1 | -73.8 | -12.5 | 0 | 0 | 0 | 112 | P786 K791 V792 I817 K820 | P786-D788 PolarHBondContact O-N 3.44Å; D788-K791 IonicContact OD1-NZ 3.8Å; D788-K791 PolarHBondContact OD1-NZ 3.02Å; D788-V792 WeakPolarHBondContact O-CG2 3.47Å; D788-V792 PolarHBondContact O-N 2.97Å; D788-I817 HydrophobicContact CB-CD1 3.73Å; D788-I817 HydrophobicContact CB-CG1 4.01Å; D788-K820 IonicContact OD2-NZ 3.31Å; D788-K820 PolarHBondContact OD2-NZ 2.92Å |
| 789 | V | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.6 | -40.4 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | V662 F754 P786 D787 K791 V792 M793 L814 I817 | V662-V789 HydrophobicContact CG2-CG2 4.43Å; F754-V789 HydrophobicContact CD2-CG1 3.81Å; F754-V789 HydrophobicContact CE1-CG1 4.36Å; F754-V789 HydrophobicContact CE1-CG2 4.39Å; F754-V789 HydrophobicContact CE2-CB 4.5Å; F754-V789 HydrophobicContact CE2-CG1 3.41Å; F754-V789 VanDerWaalsContact CE2-CG1 3.41Å; F754-V789 HydrophobicContact CG-CG1 4.49Å; F754-V789 HydrophobicContact CZ-CB 4.38Å; F754-V789 HydrophobicContact CZ-CG1 3.71Å; F754-V789 HydrophobicContact CZ-CG2 4.02Å; P786-V789 HydrophobicContact CB-CG2 4.06Å; P786-V789 HydrophobicContact CG-CG2 4.1Å; P786-V789 WeakPolarHBondContact O-CA 3.4Å; P786-V789 WeakPolarHBondContact O-CB 3.43Å; P786-V789 PolarHBondContact O-N 2.7Å; D787-V789 PolarHBondContact O-N 3.39Å; V789-K791 VanDerWaalsContact C-N 3.32Å; V789-K791 PolarHBondContact O-N 3.39Å; V789-V792 WeakPolarHBondContact O-CA 3.38Å; V789-V792 VanDerWaalsContact O-CB 3.31Å; V789-V792 WeakPolarHBondContact O-CB 3.43Å; V789-V792 PolarHBondContact O-N 3.27Å; V789-M793 HydrophobicContact CG1-CE 3.88Å; V789-M793 PolarHBondContact O-N 3.14Å; V789-L814 HydrophobicContact CG1-CD2 4.35Å; V789-L814 HydrophobicContact CG2-CD2 4.35Å; V789-I817 HydrophobicContact CG2-CD1 4.06Å; V789-I817 HydrophobicContact CG2-CG2 4.14Å |
| 790 | Y | 97.8 | Very high | 95.7 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 178.1 | -174.1 | -117.2 | 0 | 0 | 0 | 112.3 | M779 C781 P786 D787 V792 M793 Q794 W797 | M779-Y790 PolarHBondContact O-OH 3.37Å; C781-Y790 VanDerWaalsContact CA-CE2 3.44Å; C781-Y790 HydrophobicContact CB-CD1 3.73Å; C781-Y790 HydrophobicContact CB-CD2 3.75Å; C781-Y790 HydrophobicContact CB-CE1 3.82Å; C781-Y790 HydrophobicContact CB-CE2 3.86Å; C781-Y790 HydrophobicContact CB-CG 3.69Å; C781-Y790 PolarHBondContact N-OH 2.95Å; C781-Y790 VanDerWaalsContact SG-CG 3.58Å; P786-Y790 PolarHBondContact O-N 3.06Å; D787-Y790 PolarHBondContact O-N 2.85Å; D787-Y790 VanDerWaalsContact O-N 3.15Å; Y790-V792 PolarHBondContact O-N 2.99Å; Y790-M793 HydrophobicContact CD2-CB 4.34Å; Y790-M793 HydrophobicContact CD2-SD 3.93Å; Y790-M793 WeakPolarHBondContact O-CA 3.44Å; Y790-M793 WeakPolarHBondContact O-CB 3.43Å; Y790-M793 PolarHBondContact O-N 3.44Å; Y790-Q794 HydrophobicContact CD1-CG 4.26Å; Y790-Q794 HydrophobicContact CE1-CG 3.92Å; Y790-Q794 HydrophobicContact CE2-CG 4.44Å; Y790-Q794 WeakPolarHBondContact O-CG 3.19Å; Y790-Q794 PolarHBondContact O-N 3.32Å; Y790-W797 HydrophobicContact CE2-CZ3 4.34Å |
| 791 | K | 97.3 | Very high | 95.7 | Very high | 111 Ų | 111 | 60.7 Ų | 60.7 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.1 | -38.1 | 170.9 | -70.2 | 170.5 | -164.7 | 159.4 | 0 | 112.1 | D787 D788 V789 Q794 R795 | D787-K791 WeakPolarHBondContact O-CG 3.29Å; D787-K791 PolarHBondContact O-N 3.34Å; D788-K791 IonicContact OD1-NZ 3.8Å; D788-K791 PolarHBondContact OD1-NZ 3.02Å; V789-K791 VanDerWaalsContact C-N 3.32Å; V789-K791 PolarHBondContact O-N 3.39Å; K791-Q794 PolarHBondContact O-N 2.96Å; K791-R795 PolarHBondContact O-N 2.93Å; K791-R795 VanDerWaalsContact O-N 3.11Å |
| 792 | V | 97.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | L750 D788 V789 Y790 Q794 R795 C796 L810 D813 | L750-V792 HydrophobicContact CD1-CG1 3.95Å; D788-V792 WeakPolarHBondContact O-CG2 3.47Å; D788-V792 PolarHBondContact O-N 2.97Å; V789-V792 WeakPolarHBondContact O-CA 3.38Å; V789-V792 VanDerWaalsContact O-CB 3.31Å; V789-V792 WeakPolarHBondContact O-CB 3.43Å; V789-V792 PolarHBondContact O-N 3.27Å; Y790-V792 PolarHBondContact O-N 2.99Å; V792-Q794 VanDerWaalsContact C-N 3.33Å; V792-Q794 PolarHBondContact O-N 2.9Å; V792-R795 WeakPolarHBondContact O-CB 3.48Å; V792-R795 PolarHBondContact O-N 2.89Å; V792-C796 PolarHBondContact O-N 3.02Å; V792-C796 PolarHBondContact O-SG 3.43Å; V792-L810 HydrophobicContact CG1-CD2 3.42Å; V792-L810 VanDerWaalsContact CG1-CD2 3.42Å; V792-D813 HydrophobicContact CG2-CB 4.4Å |
| 793 | M | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 175.7 | -58.6 | -177.8 | -163 | 0 | 0 | 112.1 | L750 W751 F754 C785 V789 Y790 R795 C796 W797 | L750-M793 HydrophobicContact CB-CE 3.89Å; L750-M793 HydrophobicContact CB-CG 3.77Å; L750-M793 HydrophobicContact CB-SD 4.25Å; L750-M793 HydrophobicContact CD1-CG 3.99Å; W751-M793 HydrophobicContact CB-SD 4.08Å; F754-M793 HydrophobicContact CB-CE 4.06Å; F754-M793 HydrophobicContact CD2-CE 3.72Å; F754-M793 HydrophobicContact CG-CE 4.14Å; C785-M793 WeakPolarHBondContact SG-CE 3.41Å; V789-M793 HydrophobicContact CG1-CE 3.88Å; V789-M793 PolarHBondContact O-N 3.14Å; Y790-M793 HydrophobicContact CD2-CB 4.34Å; Y790-M793 HydrophobicContact CD2-SD 3.93Å; Y790-M793 WeakPolarHBondContact O-CA 3.44Å; Y790-M793 WeakPolarHBondContact O-CB 3.43Å; Y790-M793 PolarHBondContact O-N 3.44Å; M793-R795 VanDerWaalsContact C-N 3.33Å; M793-R795 PolarHBondContact O-N 3.25Å; M793-C796 WeakPolarHBondContact O-CB 3.38Å; M793-C796 PolarHBondContact O-N 2.94Å; M793-C796 VanDerWaalsContact O-N 3.13Å; M793-W797 HydrophobicContact CB-CE3 4.31Å; M793-W797 HydrophobicContact CB-CH2 3.9Å; M793-W797 HydrophobicContact CB-CZ2 4.34Å; M793-W797 HydrophobicContact CB-CZ3 3.89Å; M793-W797 PolarHBondContact O-N 3.12Å; M793-W797 HydrophobicContact SD-CH2 4.19Å |
| 794 | Q | 98.1 | Very high | 96.3 | Very high | 90 Ų | 90 | 60.3 Ų | 60.3 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.7 | -70 | 179.6 | -52.7 | 0 | 0 | 112.4 | Y790 K791 V792 W797 | Y790-Q794 HydrophobicContact CD1-CG 4.26Å; Y790-Q794 HydrophobicContact CE1-CG 3.92Å; Y790-Q794 HydrophobicContact CE2-CG 4.44Å; Y790-Q794 WeakPolarHBondContact O-CG 3.19Å; Y790-Q794 PolarHBondContact O-N 3.32Å; K791-Q794 PolarHBondContact O-N 2.96Å; V792-Q794 VanDerWaalsContact C-N 3.33Å; V792-Q794 PolarHBondContact O-N 2.9Å; Q794-W797 PolarHBondContact O-N 3.37Å |
| 795 | R | 98.3 | Very high | 97 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 32% | 0.317 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 172.4 | -79.5 | 170.5 | 43.4 | -166.2 | -12.7 | 112.6 | K791 V792 M793 W797 Q798 P805 D813 | K791-R795 PolarHBondContact O-N 2.93Å; K791-R795 VanDerWaalsContact O-N 3.11Å; V792-R795 WeakPolarHBondContact O-CB 3.48Å; V792-R795 PolarHBondContact O-N 2.89Å; M793-R795 VanDerWaalsContact C-N 3.33Å; M793-R795 PolarHBondContact O-N 3.25Å; R795-W797 PolarHBondContact O-N 3.42Å; R795-Q798 WeakPolarHBondContact O-CG 3.48Å; R795-Q798 PolarHBondContact O-N 2.8Å; R795-P805 HydrophobicContact CB-CG 4.24Å; R795-P805 VanDerWaalsContact NH2-CB 3.3Å; R795-P805 WeakPolarHBondContact O-CD 3.45Å; R795-D813 IonicContact CZ-OD2 2.91Å; R795-D813 VanDerWaalsContact CZ-OD2 3.29Å; R795-D813 IonicContact NH1-OD2 2.57Å; R795-D813 PolarHBondContact NH1-OD2 3.41Å; R795-D813 IonicContact NH2-OD2 2.81Å; R795-D813 PolarHBondContact NH2-OD2 3.26Å |
| 796 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -28.8 | 175.3 | -65.3 | 0 | 0 | 0 | 0 | 112.8 | V743 V792 M793 R804 | V743-C796 HydrophobicContact CG1-CB 4.04Å; V743-C796 WeakPolarHBondContact O-CB 3.39Å; V792-C796 PolarHBondContact O-N 3.02Å; V792-C796 PolarHBondContact O-SG 3.43Å; M793-C796 WeakPolarHBondContact O-CB 3.38Å; M793-C796 PolarHBondContact O-N 2.94Å; M793-C796 VanDerWaalsContact O-N 3.13Å; C796-R804 WeakPolarHBondContact O-CD 3.45Å |
| 797 | W | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 22.9 | -178.1 | -54.2 | -42.5 | 0 | 0 | 0 | 114.7 | W744 G747 I748 W751 R778 M779 Y790 M793 Q794 R795 Y799 | W744-W797 AromaticContact CD2-CD1 3.83Å; W744-W797 AromaticContact CE2-CD1 3.96Å; W744-W797 HydrophobicContact CE3-CB 4.21Å; W744-W797 HydrophobicContact CH2-CB 4.25Å; W744-W797 HydrophobicContact CZ3-CB 4Å; W744-W797 WeakPolarHBondContact CZ3-O 3.31Å; W744-W797 PolarHBondContact O-NE1 3.15Å; G747-W797 VanDerWaalsContact C-CZ2 3.43Å; G747-W797 WeakPolarHBondContact O-CZ2 3.43Å; I748-W797 HydrophobicContact CD1-CZ2 3.84Å; W751-W797 HydrophobicContact CB-CH2 3.97Å; W751-W797 HydrophobicContact CB-CZ2 4.02Å; W751-W797 AromaticContact CD1-CH2 3.87Å; W751-W797 HydrophobicContact CG-CH2 4.18Å; R778-W797 HydrophobicContact CB-CE3 4.23Å; R778-W797 HydrophobicContact CG-CB 4.41Å; R778-W797 PolarHBondContact NE-O 3Å; R778-W797 PolarHBondContact NH2-O 3.4Å; R778-W797 VanDerWaalsContact NH2-O 3.08Å; M779-W797 HydrophobicContact CB-CH2 4.21Å; M779-W797 HydrophobicContact CB-CZ3 4.4Å; M779-W797 HydrophobicContact CE-CH2 3.9Å; M779-W797 HydrophobicContact CE-CZ2 3.69Å; Y790-W797 HydrophobicContact CE2-CZ3 4.34Å; M793-W797 HydrophobicContact CB-CE3 4.31Å; M793-W797 HydrophobicContact CB-CH2 3.9Å; M793-W797 HydrophobicContact CB-CZ2 4.34Å; M793-W797 HydrophobicContact CB-CZ3 3.89Å; M793-W797 PolarHBondContact O-N 3.12Å; M793-W797 HydrophobicContact SD-CH2 4.19Å; Q794-W797 PolarHBondContact O-N 3.37Å; R795-W797 PolarHBondContact O-N 3.42Å; W797-Y799 PolarHBondContact O-N 3.44Å |
| 798 | Q | 98.4 | Very high | 97.5 | Very high | 84 Ų | 84 | 52.4 Ų | 52.4 | 39% | 0.393 | 25% | 0.249 | S | C | . | . | trans | -57.2 | 136.5 | 166.4 | -67.6 | -59.9 | -20.8 | 0 | 0 | 109.8 | R795 D803 R804 | R795-Q798 WeakPolarHBondContact O-CG 3.48Å; R795-Q798 PolarHBondContact O-N 2.8Å; Q798-D803 HydrophobicContact CB-CB 3.83Å; Q798-D803 HydrophobicContact CG-CB 4.12Å; Q798-R804 HydrophobicContact CB-CG 4.06Å; Q798-R804 PolarHBondContact O-NE 3.4Å; Q798-R804 PolarHBondContact O-NH2 3.5Å | ||
| 799 | Y | 96.4 | Very high | 97.6 | Very high | 93 Ų | 93 | 53.2 Ų | 53.2 | 37% | 0.365 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -64.5 | -49 | -174 | -172.4 | -92.1 | 0 | 0 | 0 | 110.5 | P729 E774 W797 R804 | P729-Y799 HydrophobicContact CB-CE2 4.09Å; P729-Y799 HydrophobicContact CG-CD2 4.15Å; P729-Y799 HydrophobicContact CG-CE2 4.1Å; E774-Y799 PolarHBondContact OE2-OH 2.88Å; W797-Y799 PolarHBondContact O-N 3.44Å; Y799-R804 PolarHBondContact O-NH2 3.46Å |
| 800 | N | 96.5 | Very high | 97.6 | Very high | 90 Ų | 90 | 53.2 Ų | 53.2 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -72.3 | 132.4 | 174.4 | -54.5 | -40.2 | 0 | 0 | 0 | 110.1 | E802 D803 | N800-E802 VanDerWaalsContact C-N 3.33Å; N800-E802 PolarHBondContact O-N 3.23Å; N800-D803 HydrophobicContact CB-CB 4.45Å; N800-D803 VanDerWaalsContact CB-OD2 3.31Å; N800-D803 WeakPolarHBondContact CB-OD2 3.43Å; N800-D803 PolarHBondContact ND2-OD2 2.84Å; N800-D803 PolarHBondContact O-N 2.97Å |
| 801 | P | 97.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 10% | 0.104 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -59.6 | -40.2 | 179.1 | -25.5 | 35 | 0 | 0 | 0 | 113.6 | E730 E740 D803 R804 | E730-P801 HydrophobicContact CB-CG 4.4Å; E730-P801 HydrophobicContact CG-CG 3.75Å; E740-P801 HydrophobicContact CB-CB 3.78Å; E740-P801 HydrophobicContact CG-CB 4.26Å; P801-D803 PolarHBondContact O-N 3.43Å; P801-R804 VanDerWaalsContact O-CB 3.28Å; P801-R804 WeakPolarHBondContact O-CB 3.42Å; P801-R804 WeakPolarHBondContact O-CG 3.35Å; P801-R804 PolarHBondContact O-N 3.15Å |
| 802 | E | 96 | Very high | 97.4 | Very high | 137 Ų | 137 | 57.3 Ų | 57.3 | 64% | 0.64 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -66.2 | -21 | -176.4 | -50.5 | -58.2 | 144.5 | 0 | 0 | 113.5 | N800 R804 | N800-E802 VanDerWaalsContact C-N 3.33Å; N800-E802 PolarHBondContact O-N 3.23Å; E802-R804 VanDerWaalsContact C-N 3.27Å |
| 803 | D | 97.6 | Very high | 97.2 | Very high | 97 Ų | 97 | 59.3 Ų | 59.3 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -84.1 | -5 | 177.9 | -65.3 | -34.7 | 0 | 0 | 0 | 112.1 | Q798 N800 P801 | Q798-D803 HydrophobicContact CB-CB 3.83Å; Q798-D803 HydrophobicContact CG-CB 4.12Å; N800-D803 HydrophobicContact CB-CB 4.45Å; N800-D803 VanDerWaalsContact CB-OD2 3.31Å; N800-D803 WeakPolarHBondContact CB-OD2 3.43Å; N800-D803 PolarHBondContact ND2-OD2 2.84Å; N800-D803 PolarHBondContact O-N 2.97Å; P801-D803 PolarHBondContact O-N 3.43Å |
| 804 | R | 98.4 | Very high | 97 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -85.6 | 142.8 | 179.7 | -58.3 | 176.4 | -164.9 | 151.1 | 9.9 | 110 | E730 E740 V743 C796 Q798 Y799 P801 E802 | E730-R804 IonicContact OE1-CZ 2.73Å; E730-R804 IonicContact OE1-NH1 2.65Å; E730-R804 PolarHBondContact OE1-NH1 2.84Å; E730-R804 IonicContact OE1-NH2 2.89Å; E730-R804 PolarHBondContact OE1-NH2 3.17Å; E730-R804 IonicContact OE2-CZ 2.76Å; E730-R804 IonicContact OE2-NH1 2.84Å; E730-R804 IonicContact OE2-NH2 2.72Å; E730-R804 PolarHBondContact OE2-NH2 2.82Å; E740-R804 WeakPolarHBondContact O-CD 3.29Å; E740-R804 PolarHBondContact O-NH1 3.33Å; V743-R804 HydrophobicContact CB-CB 4.5Å; V743-R804 HydrophobicContact CG1-CB 3.93Å; C796-R804 WeakPolarHBondContact O-CD 3.45Å; Q798-R804 HydrophobicContact CB-CG 4.06Å; Q798-R804 PolarHBondContact O-NE 3.4Å; Q798-R804 PolarHBondContact O-NH2 3.5Å; Y799-R804 PolarHBondContact O-NH2 3.46Å; P801-R804 VanDerWaalsContact O-CB 3.28Å; P801-R804 WeakPolarHBondContact O-CB 3.42Å; P801-R804 WeakPolarHBondContact O-CG 3.35Å; P801-R804 PolarHBondContact O-N 3.15Å; E802-R804 VanDerWaalsContact C-N 3.27Å |
| 805 | P | 98.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 8% | 0.078 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 154.3 | -179.6 | 31.8 | -37 | 0 | 0 | 0 | 112.1 | V743 R795 L810 | V743-P805 HydrophobicContact CG1-CG 4.46Å; V743-P805 WeakPolarHBondContact CG2-O 3.4Å; R795-P805 HydrophobicContact CB-CG 4.24Å; R795-P805 VanDerWaalsContact NH2-CB 3.3Å; R795-P805 WeakPolarHBondContact O-CD 3.45Å; P805-L810 HydrophobicContact CB-CD2 4.26Å; P805-L810 HydrophobicContact CB-CG 4.25Å; P805-L810 HydrophobicContact CG-CD1 4.2Å; P805-L810 HydrophobicContact CG-CD2 3.51Å; P805-L810 HydrophobicContact CG-CG 3.83Å |
| 806 | K | 97.8 | Very high | 96.3 | Very high | 119 Ų | 119 | 55 Ų | 55 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 156.6 | 172 | -63.2 | -170.3 | 175.8 | -171.3 | 0 | 111.9 | S808 E809 L810 | K806-S808 VanDerWaalsContact C-N 3.29Å; K806-S808 PolarHBondContact O-N 3.32Å; K806-E809 WeakPolarHBondContact O-CB 3.37Å; K806-E809 PolarHBondContact O-N 3.14Å; K806-L810 WeakPolarHBondContact O-CG 3.34Å; K806-L810 PolarHBondContact O-N 3.07Å; K806-L810 VanDerWaalsContact O-N 3.07Å |
| 807 | F | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -34.2 | 179.9 | -80.3 | -68.1 | 0 | 0 | 0 | 113.3 | M672 A673 E676 D742 V743 Y746 E809 L810 Q811 | M672-F807 HydrophobicContact CB-CB 4.42Å; M672-F807 HydrophobicContact CB-CD1 3.38Å; M672-F807 HydrophobicContact CB-CD2 3.86Å; M672-F807 HydrophobicContact CB-CE1 3.37Å; M672-F807 HydrophobicContact CB-CE2 3.85Å; M672-F807 HydrophobicContact CB-CG 3.63Å; M672-F807 HydrophobicContact CB-CZ 3.61Å; M672-F807 HydrophobicContact CE-CE2 3.75Å; M672-F807 HydrophobicContact CE-CZ 3.68Å; M672-F807 HydrophobicContact CG-CD1 4.25Å; M672-F807 HydrophobicContact CG-CE1 3.76Å; M672-F807 HydrophobicContact CG-CE2 4.48Å; M672-F807 HydrophobicContact CG-CZ 3.89Å; A673-F807 HydrophobicContact CB-CB 3.81Å; E676-F807 HydrophobicContact CB-CD2 4.34Å; E676-F807 PolarHBondContact OE2-N 3.05Å; D742-F807 HydrophobicContact CB-CE2 4.03Å; D742-F807 HydrophobicContact CB-CZ 4.01Å; V743-F807 HydrophobicContact CB-CZ 4.37Å; V743-F807 HydrophobicContact CG2-CD1 4.47Å; V743-F807 HydrophobicContact CG2-CD2 3.97Å; V743-F807 HydrophobicContact CG2-CE1 4.16Å; V743-F807 HydrophobicContact CG2-CE2 3.62Å; V743-F807 HydrophobicContact CG2-CG 4.38Å; V743-F807 HydrophobicContact CG2-CZ 3.73Å; Y746-F807 HydrophobicContact CD1-CE1 4.23Å; Y746-F807 HydrophobicContact CD2-CE1 4.01Å; Y746-F807 AromaticContact CG-CE1 3.71Å; Y746-F807 HydrophobicContact CG-CE1 3.71Å; F807-E809 VanDerWaalsContact C-N 3.26Å; F807-E809 PolarHBondContact O-N 3.38Å; F807-L810 HydrophobicContact CD1-CD1 3.93Å; F807-L810 HydrophobicContact CE1-CD1 4.26Å; F807-L810 PolarHBondContact O-N 3.08Å; F807-Q811 WeakPolarHBondContact O-CB 3.45Å; F807-Q811 PolarHBondContact O-N 3.14Å |
| 808 | S | 96.6 | Very high | 94.8 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -31 | 174.6 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | K806 R812 | K806-S808 VanDerWaalsContact C-N 3.29Å; K806-S808 PolarHBondContact O-N 3.32Å; S808-R812 PolarHBondContact O-N 3.29Å |
| 809 | E | 97.1 | Very high | 93.4 | Very high | 75 Ų | 75 | 66.2 Ų | 66.2 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76.1 | -45.8 | 174.1 | -64.9 | 172.2 | -154.5 | 0 | 0 | 110.8 | K806 F807 Q811 R812 D813 | K806-E809 WeakPolarHBondContact O-CB 3.37Å; K806-E809 PolarHBondContact O-N 3.14Å; F807-E809 VanDerWaalsContact C-N 3.26Å; F807-E809 PolarHBondContact O-N 3.38Å; E809-Q811 VanDerWaalsContact C-N 3.31Å; E809-Q811 PolarHBondContact O-N 2.93Å; E809-R812 WeakPolarHBondContact O-CB 3.3Å; E809-R812 PolarHBondContact O-N 2.83Å; E809-R812 VanDerWaalsContact O-N 3.09Å; E809-D813 PolarHBondContact O-N 3.47Å |
| 810 | L | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 176.2 | -69 | 172.5 | 0 | 0 | 0 | 112.1 | V743 Y746 V792 P805 K806 F807 R812 D813 L814 | V743-L810 HydrophobicContact CG1-CD1 3.99Å; V743-L810 HydrophobicContact CG2-CD1 4.32Å; Y746-L810 HydrophobicContact CD1-CD1 3.83Å; Y746-L810 HydrophobicContact CE1-CB 4.37Å; Y746-L810 HydrophobicContact CE1-CD1 4.1Å; V792-L810 HydrophobicContact CG1-CD2 3.42Å; V792-L810 VanDerWaalsContact CG1-CD2 3.42Å; P805-L810 HydrophobicContact CB-CD2 4.26Å; P805-L810 HydrophobicContact CB-CG 4.25Å; P805-L810 HydrophobicContact CG-CD1 4.2Å; P805-L810 HydrophobicContact CG-CD2 3.51Å; P805-L810 HydrophobicContact CG-CG 3.83Å; K806-L810 WeakPolarHBondContact O-CG 3.34Å; K806-L810 PolarHBondContact O-N 3.07Å; K806-L810 VanDerWaalsContact O-N 3.07Å; F807-L810 HydrophobicContact CD1-CD1 3.93Å; F807-L810 HydrophobicContact CE1-CD1 4.26Å; F807-L810 PolarHBondContact O-N 3.08Å; L810-R812 VanDerWaalsContact C-N 3.33Å; L810-R812 PolarHBondContact O-N 3.18Å; L810-D813 PolarHBondContact O-N 2.85Å; L810-L814 WeakPolarHBondContact O-CB 3.44Å; L810-L814 WeakPolarHBondContact O-CD1 3.38Å; L810-L814 WeakPolarHBondContact O-CG 3.46Å; L810-L814 PolarHBondContact O-N 2.99Å |
| 811 | Q | 95.5 | Very high | 91.4 | Very high | 71 Ų | 71 | 70.6 Ų | 70.6 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 175.9 | -172.7 | -166 | 11.4 | 0 | 0 | 111.4 | A669 A670 F807 E809 A815 | A669-Q811 HydrophobicContact CB-CB 3.87Å; A669-Q811 HydrophobicContact CB-CG 4.35Å; A670-Q811 HydrophobicContact CB-CG 4.4Å; F807-Q811 WeakPolarHBondContact O-CB 3.45Å; F807-Q811 PolarHBondContact O-N 3.14Å; E809-Q811 VanDerWaalsContact C-N 3.31Å; E809-Q811 PolarHBondContact O-N 2.93Å; Q811-A815 WeakPolarHBondContact O-CB 3.37Å; Q811-A815 PolarHBondContact O-N 3.49Å |
| 812 | R | 94.9 | Very high | 91.1 | Very high | 161 Ų | 161 | 73.5 Ų | 73.5 | 61% | 0.608 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.2 | -46.7 | -179.9 | -170.3 | -169.7 | -52.4 | 149.8 | 8.1 | 111.6 | S808 E809 L810 A815 A816 | S808-R812 PolarHBondContact O-N 3.29Å; E809-R812 WeakPolarHBondContact O-CB 3.3Å; E809-R812 PolarHBondContact O-N 2.83Å; E809-R812 VanDerWaalsContact O-N 3.09Å; L810-R812 VanDerWaalsContact C-N 3.33Å; L810-R812 PolarHBondContact O-N 3.18Å; R812-A815 PolarHBondContact O-N 3.42Å; R812-A816 PolarHBondContact O-N 3.04Å |
| 813 | D | 93.5 | Very high | 90.8 | Very high | 48 Ų | 48 | 69.9 Ų | 69.9 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | -179 | -70.5 | -11.5 | 0 | 0 | 0 | 110.7 | V792 R795 E809 L810 A816 I817 | V792-D813 HydrophobicContact CG2-CB 4.4Å; R795-D813 IonicContact CZ-OD2 2.91Å; R795-D813 VanDerWaalsContact CZ-OD2 3.29Å; R795-D813 IonicContact NH1-OD2 2.57Å; R795-D813 PolarHBondContact NH1-OD2 3.41Å; R795-D813 IonicContact NH2-OD2 2.81Å; R795-D813 PolarHBondContact NH2-OD2 3.26Å; E809-D813 PolarHBondContact O-N 3.47Å; L810-D813 PolarHBondContact O-N 2.85Å; D813-A816 WeakPolarHBondContact O-CB 3.31Å; D813-A816 PolarHBondContact O-N 3.41Å; D813-I817 WeakPolarHBondContact O-CG1 3.3Å; D813-I817 PolarHBondContact O-N 3.34Å; D813-I817 VanDerWaalsContact O-N 3.12Å |
| 814 | L | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 178 | -69.6 | 165.1 | 0 | 0 | 0 | 112.7 | A665 V666 Y746 L750 V789 L810 A816 I817 K818 | A665-L814 HydrophobicContact CB-CD1 4.11Å; A665-L814 HydrophobicContact CB-CD2 4.44Å; V666-L814 HydrophobicContact CG2-CB 3.67Å; Y746-L814 HydrophobicContact CE1-CD1 4.14Å; Y746-L814 WeakPolarHBondContact OH-CD1 3.48Å; L750-L814 HydrophobicContact CD2-CD1 4.36Å; V789-L814 HydrophobicContact CG1-CD2 4.35Å; V789-L814 HydrophobicContact CG2-CD2 4.35Å; L810-L814 WeakPolarHBondContact O-CB 3.44Å; L810-L814 WeakPolarHBondContact O-CD1 3.38Å; L810-L814 WeakPolarHBondContact O-CG 3.46Å; L810-L814 PolarHBondContact O-N 2.99Å; L814-A816 VanDerWaalsContact C-N 3.29Å; L814-A816 PolarHBondContact O-N 3.19Å; L814-I817 HydrophobicContact CD2-CD1 4.31Å; L814-I817 PolarHBondContact O-N 3.3Å; L814-K818 PolarHBondContact O-N 2.88Å |
| 815 | A | 91.3 | Very high | 89.9 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 24% | 0.24 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -32.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | V666 Q811 R812 K818 R819 | V666-A815 HydrophobicContact CG2-CB 4.47Å; Q811-A815 WeakPolarHBondContact O-CB 3.37Å; Q811-A815 PolarHBondContact O-N 3.49Å; R812-A815 PolarHBondContact O-N 3.42Å; A815-K818 WeakPolarHBondContact O-CB 3.41Å; A815-K818 PolarHBondContact O-N 3.4Å; A815-R819 WeakPolarHBondContact O-CG 3.27Å |
| 816 | A | 89.9 | Confident | 89.3 | Confident | 54 Ų | 54 | 75.7 Ų | 75.7 | 45% | 0.446 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R812 D813 L814 K818 R819 | R812-A816 PolarHBondContact O-N 3.04Å; D813-A816 WeakPolarHBondContact O-CB 3.31Å; D813-A816 PolarHBondContact O-N 3.41Å; L814-A816 VanDerWaalsContact C-N 3.29Å; L814-A816 PolarHBondContact O-N 3.19Å; A816-K818 VanDerWaalsContact C-N 3.3Å; A816-K818 PolarHBondContact O-N 3.15Å; A816-R819 PolarHBondContact O-N 3.21Å |
| 817 | I | 87.4 | Confident | 88.7 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62 | -39.1 | 174.7 | -63.8 | 165.2 | 0 | 0 | 0 | 110.9 | V662 D788 V789 D813 L814 R819 K820 | V662-I817 HydrophobicContact CG1-CG2 4.46Å; V662-I817 HydrophobicContact CG2-CG2 4.45Å; D788-I817 HydrophobicContact CB-CD1 3.73Å; D788-I817 HydrophobicContact CB-CG1 4.01Å; V789-I817 HydrophobicContact CG2-CD1 4.06Å; V789-I817 HydrophobicContact CG2-CG2 4.14Å; D813-I817 WeakPolarHBondContact O-CG1 3.3Å; D813-I817 PolarHBondContact O-N 3.34Å; D813-I817 VanDerWaalsContact O-N 3.12Å; L814-I817 HydrophobicContact CD2-CD1 4.31Å; L814-I817 PolarHBondContact O-N 3.3Å; I817-R819 PolarHBondContact O-N 3.05Å; I817-K820 PolarHBondContact O-N 3.26Å |
| 818 | K | 78.3 | Confident | 88 | Confident | 75 Ų | 75 | 78.2 Ų | 78.2 | 33% | 0.326 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.2 | 177.3 | -171.2 | -178.4 | 172.6 | -176.5 | 0 | 114.1 | V662 V666 L814 A815 A816 | V662-K818 HydrophobicContact CG1-CB 3.77Å; V662-K818 HydrophobicContact CG1-CG 4.34Å; V666-K818 HydrophobicContact CG2-CD 4.46Å; L814-K818 PolarHBondContact O-N 2.88Å; A815-K818 WeakPolarHBondContact O-CB 3.41Å; A815-K818 PolarHBondContact O-N 3.4Å; A816-K818 VanDerWaalsContact C-N 3.3Å; A816-K818 PolarHBondContact O-N 3.15Å |
| 819 | R | 70.3 | Confident | 87.3 | Confident | 224 Ų | 224 | 80.5 Ų | 80.5 | 85% | 0.845 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -21.5 | -177.8 | -70 | 176.8 | -175.7 | -177.2 | 1.4 | 113 | A815 A816 I817 | A815-R819 WeakPolarHBondContact O-CG 3.27Å; A816-R819 PolarHBondContact O-N 3.21Å; I817-R819 PolarHBondContact O-N 3.05Å |
| 820 | K | 58.4 | Low | 86.4 | Confident | 204 Ų | 204 | 81 Ų | 81 | 89% | 0.887 | 37% | 0.37 | S | S | * | . | trans | -76 | 0 | 167.3 | -61.4 | -178.3 | -176.5 | 176.7 | 0 | 108.8 | D788 I817 | D788-K820 IonicContact OD2-NZ 3.31Å; D788-K820 PolarHBondContact OD2-NZ 2.92Å; I817-K820 PolarHBondContact O-N 3.26Å |
Retrieved 820 of 820 residues in 2158.6 ms
(Link to these results)