| 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 | 47.4 | Very low | 84.1 | Confident | 233 Ų | 233 | 89.8 Ų | 89.8 | 100% | 1.148 | 42% | 0.423 | S | S | * | . | 0 | 148.1 | 0 | -68.6 | -178.4 | 173.9 | 0 | 0 | 108.8 | |||||
| 2 | P | 65.2 | Low | 84.7 | Confident | 29 Ų | 29 | 94.6 Ų | 94.6 | 19% | 0.188 | 44% | 0.441 | C | S | . | . | trans | -59 | 148.5 | 172 | 23.8 | -30.1 | 0 | 0 | 0 | 110.5 | R4 K146 D148 | P2-R4 PolarHBondContact O-N 3.35Å; P2-R4 VanDerWaalsContact O-N 3.16Å; P2-K146 HydrophobicContact CB-CB 4.27Å; P2-K146 HydrophobicContact CB-CD 4.03Å; P2-K146 HydrophobicContact CB-CG 4.27Å; P2-D148 WeakPolarHBondContact CD-OD2 3.28Å; P2-D148 HydrophobicContact CG-CB 3.47Å; P2-D148 VanDerWaalsContact CG-CB 3.47Å; P2-D148 WeakPolarHBondContact CG-OD2 3.47Å | ||
| 3 | K | 77.9 | Confident | 85.4 | Confident | 97 Ų | 97 | 93.7 Ų | 93.7 | 42% | 0.422 | 44% | 0.441 | S | S | . | . | trans | -69.9 | 109.6 | 172.8 | -179.6 | 173.6 | 178.4 | 175.1 | 0 | 107.5 | L5 E10 | K3-L5 WeakPolarHBondContact CE-O 3.3Å; K3-L5 VanDerWaalsContact CG-O 3.25Å; K3-L5 WeakPolarHBondContact CG-O 3.5Å; K3-E10 WeakPolarHBondContact CE-OE2 3.38Å; K3-E10 IonicContact NZ-OE1 3.77Å; K3-E10 PolarHBondContact NZ-OE1 3.47Å; K3-E10 IonicContact NZ-OE2 2.69Å; K3-E10 PolarHBondContact NZ-OE2 3.32Å | ||
| 4 | R | 83.9 | Confident | 86 | Confident | 80 Ų | 80 | 87.1 Ų | 87.1 | 30% | 0.302 | 41% | 0.41 | S | S | . | . | trans | -94.7 | -28.8 | 178.4 | -64 | -165.7 | -178.2 | -170.8 | 2.3 | 112.8 | P2 F6 D148 F150 | P2-R4 PolarHBondContact O-N 3.35Å; P2-R4 VanDerWaalsContact O-N 3.16Å; R4-F6 WeakPolarHBondContact O-CE2 3.41Å; R4-D148 IonicContact CZ-OD1 3.07Å; R4-D148 IonicContact CZ-OD2 3.89Å; R4-D148 IonicContact NE-OD2 2.64Å; R4-D148 PolarHBondContact NE-OD2 3.48Å; R4-D148 IonicContact NH2-OD1 2.73Å; R4-D148 PolarHBondContact NH2-OD1 2.9Å; R4-D148 IonicContact NH2-OD2 2.69Å; R4-D148 PolarHBondContact NH2-OD2 3.5Å; R4-F150 VanDerWaalsContact CZ-O 3.27Å; R4-F150 PolarHBondContact NH1-O 3Å; R4-F150 PolarHBondContact NH2-O 3.16Å | ||
| 5 | L | 93.7 | Very high | 86.4 | Confident | 49 Ų | 49 | 83.3 Ų | 83.3 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | trans | -107 | 145 | -177.9 | -56.7 | -178.8 | 0 | 0 | 0 | 111.4 | K3 L193 E196 | K3-L5 WeakPolarHBondContact CE-O 3.3Å; K3-L5 VanDerWaalsContact CG-O 3.25Å; K3-L5 WeakPolarHBondContact CG-O 3.5Å; L5-L193 CarbonylContact C-O 3.2Å; L5-L193 VanDerWaalsContact CA-O 3.27Å; L5-L193 WeakPolarHBondContact CA-O 3.29Å; L5-E196 HydrophobicContact CD1-CG 3.83Å; L5-E196 VanDerWaalsContact CD1-OE1 3.29Å; L5-E196 WeakPolarHBondContact CD1-OE1 3.48Å; L5-E196 WeakPolarHBondContact CD1-OE2 3.48Å | ||
| 6 | F | 94.4 | Very high | 86.7 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | trans | -132.2 | 138.2 | -173.4 | -60.4 | -90.5 | 0 | 0 | 0 | 109.9 | R4 E10 L11 M63 Y64 L193 | R4-F6 WeakPolarHBondContact O-CE2 3.41Å; F6-E10 WeakPolarHBondContact CA-OE2 3.3Å; F6-E10 HydrophobicContact CB-CB 4.18Å; F6-E10 HydrophobicContact CD1-CB 4.46Å; F6-L11 HydrophobicContact CB-CG 4.38Å; F6-M63 HydrophobicContact CB-CE 4.02Å; F6-M63 HydrophobicContact CD1-CE 3.6Å; F6-M63 HydrophobicContact CD2-CE 4.15Å; F6-M63 HydrophobicContact CD2-CG 4Å; F6-M63 HydrophobicContact CE1-CB 4.1Å; F6-M63 HydrophobicContact CE1-CE 4.02Å; F6-M63 HydrophobicContact CE1-CG 4.37Å; F6-M63 HydrophobicContact CE2-CB 4.06Å; F6-M63 HydrophobicContact CE2-CG 3.72Å; F6-M63 HydrophobicContact CG-CE 3.66Å; F6-M63 HydrophobicContact CG-CG 4.45Å; F6-M63 HydrophobicContact CZ-CB 3.73Å; F6-M63 HydrophobicContact CZ-CE 4.47Å; F6-M63 HydrophobicContact CZ-CG 3.91Å; F6-Y64 HydrophobicContact CZ-CE2 4.21Å; F6-L193 HydrophobicContact CD2-CB 4.13Å; F6-L193 HydrophobicContact CD2-CD2 4.25Å; F6-L193 HydrophobicContact CE2-CD2 4.17Å; F6-L193 PolarHBondContact N-O 2.84Å | ||
| 7 | D | 92.5 | Very high | 87 | Confident | 113 Ų | 113 | 80.4 Ų | 80.4 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | trans | -71.2 | 157.6 | 178.1 | -68.1 | -32.9 | 0 | 0 | 0 | 110.9 | K9 E10 L11 | D7-K9 PolarHBondContact O-N 3.31Å; D7-E10 PolarHBondContact N-OE2 2.63Å; D7-E10 WeakPolarHBondContact O-CA 3.48Å; D7-E10 WeakPolarHBondContact O-CB 3.4Å; D7-E10 PolarHBondContact O-N 2.81Å; D7-L11 PolarHBondContact O-N 3.27Å; D7-L11 VanDerWaalsContact O-N 3.08Å | ||
| 8 | K | 90.9 | Very high | 87.3 | Confident | 100 Ų | 100 | 83.7 Ų | 83.7 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -51.8 | -29.3 | 173.6 | -68.1 | -171.1 | 177.1 | -172.9 | 0 | 113.3 | K12 D245 | K8-K12 VanDerWaalsContact O-CG 3.31Å; K8-K12 WeakPolarHBondContact O-CG 3.43Å; K8-K12 PolarHBondContact O-N 3.49Å; K8-D245 WeakPolarHBondContact CE-OD2 3.45Å; K8-D245 IonicContact NZ-OD1 3.8Å; K8-D245 PolarHBondContact NZ-OD1 3.37Å; K8-D245 IonicContact NZ-OD2 3.46Å; K8-D245 PolarHBondContact NZ-OD2 2.91Å |
| 9 | K | 92.7 | Very high | 87.3 | Confident | 180 Ų | 180 | 81.4 Ų | 81.4 | 78% | 0.783 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.5 | -38.5 | 175.8 | -68.2 | -178.5 | -178.5 | 175.5 | 0 | 112.3 | D7 K12 N13 | D7-K9 PolarHBondContact O-N 3.31Å; K9-K12 PolarHBondContact O-N 3.38Å; K9-N13 PolarHBondContact O-N 3.49Å |
| 10 | E | 93.8 | Very high | 87.4 | Confident | 65 Ų | 65 | 80.3 Ų | 80.3 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.9 | -40 | 178.4 | -65.2 | 178.4 | 109.3 | 0 | 0 | 110.9 | K3 F6 D7 K12 N13 T14 | K3-E10 WeakPolarHBondContact CE-OE2 3.38Å; K3-E10 IonicContact NZ-OE1 3.77Å; K3-E10 PolarHBondContact NZ-OE1 3.47Å; K3-E10 IonicContact NZ-OE2 2.69Å; K3-E10 PolarHBondContact NZ-OE2 3.32Å; F6-E10 WeakPolarHBondContact CA-OE2 3.3Å; F6-E10 HydrophobicContact CB-CB 4.18Å; F6-E10 HydrophobicContact CD1-CB 4.46Å; D7-E10 PolarHBondContact N-OE2 2.63Å; D7-E10 WeakPolarHBondContact O-CA 3.48Å; D7-E10 WeakPolarHBondContact O-CB 3.4Å; D7-E10 PolarHBondContact O-N 2.81Å; E10-K12 PolarHBondContact O-N 3.27Å; E10-N13 CarbonylContact O-C 3.58Å; E10-N13 VanDerWaalsContact O-C 3.3Å; E10-N13 PolarHBondContact O-N 2.92Å; E10-T14 PolarHBondContact O-N 3.46Å |
| 11 | L | 93.1 | Very high | 87.4 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 15% | 0.147 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.6 | -21.7 | 174.2 | -74.4 | 165.9 | 0 | 0 | 0 | 113.9 | F6 D7 T14 M63 T190 L193 Q194 | F6-L11 HydrophobicContact CB-CG 4.38Å; D7-L11 PolarHBondContact O-N 3.27Å; D7-L11 VanDerWaalsContact O-N 3.08Å; L11-T14 WeakPolarHBondContact O-CG2 3.23Å; L11-M63 HydrophobicContact CD2-CE 4.02Å; L11-M63 HydrophobicContact CD2-SD 3.6Å; L11-M63 HydrophobicContact CG-CE 4.48Å; L11-T190 HydrophobicContact CD2-CG2 4.32Å; L11-L193 HydrophobicContact CD2-CB 4.33Å; L11-L193 HydrophobicContact CD2-CD1 3.92Å; L11-Q194 HydrophobicContact CD1-CG 3.19Å |
| 12 | K | 91.4 | Very high | 89.4 | Confident | 147 Ų | 147 | 68.3 Ų | 68.3 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.3 | 171.5 | -73.3 | 179.3 | -179.8 | -171.3 | 0 | 113.4 | K8 K9 E10 Y17 | K8-K12 VanDerWaalsContact O-CG 3.31Å; K8-K12 WeakPolarHBondContact O-CG 3.43Å; K8-K12 PolarHBondContact O-N 3.49Å; K9-K12 PolarHBondContact O-N 3.38Å; E10-K12 PolarHBondContact O-N 3.27Å; K12-Y17 WeakPolarHBondContact O-CD1 3.29Å |
| 13 | N | 93.7 | Very high | 90.6 | Very high | 83 Ų | 83 | 69.9 Ų | 69.9 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -131 | 44.3 | -176.7 | -168.8 | 25.2 | 0 | 0 | 0 | 111.3 | K9 E10 K18 | K9-N13 PolarHBondContact O-N 3.49Å; E10-N13 CarbonylContact O-C 3.58Å; E10-N13 VanDerWaalsContact O-C 3.3Å; E10-N13 PolarHBondContact O-N 2.92Å; N13-K18 WeakPolarHBondContact O-CE 3.46Å; N13-K18 WeakPolarHBondContact OD1-CE 3.14Å |
| 14 | T | 93.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | trans | -64.7 | 160.9 | 175.8 | 59.1 | 0 | 0 | 0 | 0 | 110.8 | E10 L11 S16 Y17 K18 E26 M63 | E10-T14 PolarHBondContact O-N 3.46Å; L11-T14 WeakPolarHBondContact O-CG2 3.23Å; T14-S16 PolarHBondContact O-N 3.49Å; T14-Y17 WeakPolarHBondContact O-CB 3.3Å; T14-Y17 PolarHBondContact O-N 3.3Å; T14-Y17 VanDerWaalsContact O-N 3.14Å; T14-Y17 WeakPolarHBondContact OG1-CB 3.5Å; T14-Y17 PolarHBondContact OG1-N 2.85Å; T14-Y17 VanDerWaalsContact OG1-N 3.09Å; T14-K18 WeakPolarHBondContact O-CG 3.36Å; T14-K18 PolarHBondContact O-N 3.2Å; T14-E26 WeakPolarHBondContact CB-OE2 3.47Å; T14-E26 PolarHBondContact OG1-OE2 3.49Å; T14-M63 HydrophobicContact CG2-CE 4.43Å; T14-M63 HydrophobicContact CG2-SD 4.13Å | ||
| 15 | P | 92 | Very high | 91.3 | Very high | 30 Ų | 30 | 72.2 Ų | 72.2 | 20% | 0.195 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.3 | -36.6 | 170.7 | -25.9 | 36.1 | 0 | 0 | 0 | 113 | K18 D19 M63 | P15-K18 PolarHBondContact O-N 3.49Å; P15-D19 PolarHBondContact O-N 3.04Å; P15-M63 WeakPolarHBondContact CD-O 3.46Å; P15-M63 WeakPolarHBondContact CG-O 3.22Å |
| 16 | S | 90.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 174.4 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | T14 K18 D19 G20 V21 E26 S66 L67 | T14-S16 PolarHBondContact O-N 3.49Å; S16-K18 PolarHBondContact O-N 2.91Å; S16-D19 CarbonylContact O-C 3.41Å; S16-D19 WeakPolarHBondContact O-CB 3.42Å; S16-D19 PolarHBondContact O-N 3.41Å; S16-D19 VanDerWaalsContact O-N 3.13Å; S16-G20 PolarHBondContact O-N 3.37Å; S16-V21 VanDerWaalsContact O-CB 3.32Å; S16-V21 WeakPolarHBondContact O-CB 3.37Å; S16-V21 WeakPolarHBondContact O-CG2 3.46Å; S16-V21 PolarHBondContact O-N 3.01Å; S16-E26 WeakPolarHBondContact CB-OE2 3.36Å; S16-S66 WeakPolarHBondContact OG-CA 3.49Å; S16-L67 PolarHBondContact OG-N 3.24Å |
| 17 | Y | 92.3 | Very high | 90.9 | Very high | 117 Ų | 117 | 71.8 Ų | 71.8 | 46% | 0.459 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.9 | -175.6 | -99 | 0 | 0 | 0 | 112.1 | K12 T14 D19 G20 V21 | K12-Y17 WeakPolarHBondContact O-CD1 3.29Å; T14-Y17 WeakPolarHBondContact O-CB 3.3Å; T14-Y17 PolarHBondContact O-N 3.3Å; T14-Y17 VanDerWaalsContact O-N 3.14Å; T14-Y17 WeakPolarHBondContact OG1-CB 3.5Å; T14-Y17 PolarHBondContact OG1-N 2.85Å; T14-Y17 VanDerWaalsContact OG1-N 3.09Å; Y17-D19 PolarHBondContact O-N 3.35Å; Y17-G20 PolarHBondContact O-N 2.92Å; Y17-V21 WeakPolarHBondContact CA-O 3.48Å |
| 18 | K | 91.7 | Very high | 90.7 | Very high | 140 Ų | 140 | 71 Ų | 71 | 61% | 0.609 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.2 | -28.3 | 175.4 | -66.6 | 174.8 | -173.7 | 173.5 | 0 | 113 | N13 T14 P15 S16 G20 | N13-K18 WeakPolarHBondContact O-CE 3.46Å; N13-K18 WeakPolarHBondContact OD1-CE 3.14Å; T14-K18 WeakPolarHBondContact O-CG 3.36Å; T14-K18 PolarHBondContact O-N 3.2Å; P15-K18 PolarHBondContact O-N 3.49Å; S16-K18 PolarHBondContact O-N 2.91Å; K18-G20 VanDerWaalsContact C-N 3.27Å |
| 19 | D | 87.8 | Confident | 90.6 | Very high | 39 Ų | 39 | 67.4 Ų | 67.4 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 3.3 | 174.3 | -86.4 | -7.4 | 0 | 0 | 0 | 114.4 | P15 S16 Y17 S66 K68 Q69 | P15-D19 PolarHBondContact O-N 3.04Å; S16-D19 CarbonylContact O-C 3.41Å; S16-D19 WeakPolarHBondContact O-CB 3.42Å; S16-D19 PolarHBondContact O-N 3.41Å; S16-D19 VanDerWaalsContact O-N 3.13Å; Y17-D19 PolarHBondContact O-N 3.35Å; D19-S66 WeakPolarHBondContact CB-OG 3.45Å; D19-S66 WeakPolarHBondContact OD2-CB 3.49Å; D19-S66 PolarHBondContact OD2-OG 3.29Å; D19-K68 HydrophobicContact CB-CB 4.46Å; D19-K68 HydrophobicContact CB-CD 4.32Å; D19-K68 PolarHBondContact O-NZ 3.46Å; D19-Q69 VanDerWaalsContact CG-CD 3.49Å; D19-Q69 PolarHBondContact OD1-NE2 2.8Å; D19-Q69 WeakPolarHBondContact OD2-CB 3.42Å; D19-Q69 WeakPolarHBondContact OD2-CG 2.89Å; D19-Q69 PolarHBondContact OD2-NE2 3.02Å; D19-Q69 VanDerWaalsContact OD2-NE2 3.09Å; D19-Q69 PolarHBondContact OD2-OE1 3.05Å |
| 20 | G | 88.7 | Confident | 90.5 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 19.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | S16 Y17 K18 | S16-G20 PolarHBondContact O-N 3.37Å; Y17-G20 PolarHBondContact O-N 2.92Å; K18-G20 VanDerWaalsContact C-N 3.27Å |
| 21 | V | 87.2 | Confident | 90.4 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | trans | -81.5 | 126.2 | 167.9 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | S16 Y17 E25 E26 L29 K68 | S16-V21 VanDerWaalsContact O-CB 3.32Å; S16-V21 WeakPolarHBondContact O-CB 3.37Å; S16-V21 WeakPolarHBondContact O-CG2 3.46Å; S16-V21 PolarHBondContact O-N 3.01Å; Y17-V21 WeakPolarHBondContact CA-O 3.48Å; V21-E25 HydrophobicContact CG1-CB 3.91Å; V21-E25 HydrophobicContact CG1-CG 3.81Å; V21-E26 HydrophobicContact CG1-CB 4Å; V21-L29 HydrophobicContact CG1-CD1 4.2Å; V21-K68 HydrophobicContact CG2-CB 3.83Å; V21-K68 HydrophobicContact CG2-CD 4.08Å | ||
| 22 | S | 90.5 | Very high | 90.1 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | trans | -67.1 | 155.9 | 178.2 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | E24 E25 E26 | S22-E24 PolarHBondContact O-N 2.99Å; S22-E25 PolarHBondContact N-OE2 3.26Å; S22-E25 PolarHBondContact O-N 3.39Å; S22-E25 WeakPolarHBondContact OG-CB 3.16Å; S22-E25 PolarHBondContact OG-N 3.18Å; S22-E26 PolarHBondContact O-N 2.82Å | ||
| 23 | S | 90.2 | Very high | 90 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -34.3 | 179.1 | -54.5 | 0 | 0 | 0 | 0 | 113 | A27 | S23-A27 WeakPolarHBondContact O-CB 3.48Å; S23-A27 PolarHBondContact O-N 2.99Å |
| 24 | E | 89.2 | Confident | 90 | Very high | 137 Ų | 137 | 48.7 Ų | 48.7 | 64% | 0.64 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.3 | -48.2 | 174.7 | -167 | 79 | -150.6 | 0 | 0 | 110.9 | S22 A27 Q28 | S22-E24 PolarHBondContact O-N 2.99Å; E24-A27 PolarHBondContact O-N 3.16Å; E24-Q28 PolarHBondContact O-N 2.78Å |
| 25 | E | 87.1 | Confident | 89.9 | Confident | 89 Ų | 89 | 52 Ų | 52 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 178.8 | -175.8 | -176.2 | -177.1 | 0 | 0 | 111.3 | V21 S22 A27 Q28 L29 | V21-E25 HydrophobicContact CG1-CB 3.91Å; V21-E25 HydrophobicContact CG1-CG 3.81Å; S22-E25 PolarHBondContact N-OE2 3.26Å; S22-E25 PolarHBondContact O-N 3.39Å; S22-E25 WeakPolarHBondContact OG-CB 3.16Å; S22-E25 PolarHBondContact OG-N 3.18Å; E25-A27 PolarHBondContact O-N 3.41Å; E25-Q28 PolarHBondContact O-N 3.47Å; E25-L29 HydrophobicContact CG-CD1 4.17Å; E25-L29 WeakPolarHBondContact O-CB 3.42Å; E25-L29 VanDerWaalsContact O-CG 3.27Å; E25-L29 WeakPolarHBondContact O-CG 3.34Å; E25-L29 PolarHBondContact O-N 3.36Å |
| 26 | E | 90.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 174.1 | 169.2 | 162.7 | -160.5 | 0 | 0 | 111.7 | T14 S16 V21 S22 Q28 L29 R30 L67 | T14-E26 WeakPolarHBondContact CB-OE2 3.47Å; T14-E26 PolarHBondContact OG1-OE2 3.49Å; S16-E26 WeakPolarHBondContact CB-OE2 3.36Å; V21-E26 HydrophobicContact CG1-CB 4Å; S22-E26 PolarHBondContact O-N 2.82Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.14Å; E26-L29 PolarHBondContact O-N 3.13Å; E26-R30 HydrophobicContact CG-CG 4.45Å; E26-R30 WeakPolarHBondContact O-CB 3.37Å; E26-R30 VanDerWaalsContact O-CG 3.32Å; E26-R30 WeakPolarHBondContact O-CG 3.38Å; E26-R30 PolarHBondContact O-N 3.3Å; E26-R30 IonicContact OE1-CZ 2.75Å; E26-R30 IonicContact OE1-NE 2.79Å; E26-R30 PolarHBondContact OE1-NE 2.65Å; E26-R30 IonicContact OE1-NH2 3.14Å; E26-R30 PolarHBondContact OE1-NH2 3.13Å; E26-L67 HydrophobicContact CB-CD1 4.28Å; E26-L67 HydrophobicContact CG-CD1 3.75Å |
| 27 | A | 90.1 | Very high | 90 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S23 E24 E25 R30 R31 | S23-A27 WeakPolarHBondContact O-CB 3.48Å; S23-A27 PolarHBondContact O-N 2.99Å; E24-A27 PolarHBondContact O-N 3.16Å; E25-A27 PolarHBondContact O-N 3.41Å; A27-R30 PolarHBondContact O-N 3.47Å; A27-R31 WeakPolarHBondContact O-CG 3.04Å; A27-R31 PolarHBondContact O-N 2.9Å |
| 28 | Q | 87.5 | Confident | 90.1 | Very high | 97 Ų | 97 | 47.1 Ų | 47.1 | 45% | 0.453 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 176 | -171.1 | 178.8 | 21.6 | 0 | 0 | 112.1 | E24 E25 E26 R30 R31 I32 | E24-Q28 PolarHBondContact O-N 2.78Å; E25-Q28 PolarHBondContact O-N 3.47Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.14Å; Q28-R30 VanDerWaalsContact C-N 3.33Å; Q28-R30 PolarHBondContact O-N 2.85Å; Q28-R31 WeakPolarHBondContact O-CB 3.49Å; Q28-R31 PolarHBondContact O-N 3.06Å; Q28-I32 HydrophobicContact CG-CD1 4.22Å; Q28-I32 WeakPolarHBondContact O-CG1 3.26Å; Q28-I32 PolarHBondContact O-N 3.41Å |
| 29 | L | 88.3 | Confident | 90.1 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 12% | 0.12 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 177.4 | -73.9 | 171.1 | 0 | 0 | 0 | 111.9 | V21 E25 E26 I32 G33 L67 V85 | V21-L29 HydrophobicContact CG1-CD1 4.2Å; E25-L29 HydrophobicContact CG-CD1 4.17Å; E25-L29 WeakPolarHBondContact O-CB 3.42Å; E25-L29 VanDerWaalsContact O-CG 3.27Å; E25-L29 WeakPolarHBondContact O-CG 3.34Å; E25-L29 PolarHBondContact O-N 3.36Å; E26-L29 PolarHBondContact O-N 3.13Å; L29-I32 PolarHBondContact O-N 3.35Å; L29-G33 PolarHBondContact O-N 2.65Å; L29-L67 HydrophobicContact CB-CD1 3.84Å; L29-L67 HydrophobicContact CB-CD2 4.34Å; L29-L67 HydrophobicContact CD1-CB 4.08Å; L29-L67 HydrophobicContact CD1-CD1 4.18Å; L29-V85 HydrophobicContact CD1-CG1 4.39Å; L29-V85 HydrophobicContact CD2-CG1 3.92Å |
| 30 | R | 92 | Very high | 90.4 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 2% | 0.023 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 173.3 | -73.5 | 175.2 | -177.7 | -95.7 | 7.7 | 111.1 | E26 A27 Q28 I32 G33 V34 H59 Y62 L67 | E26-R30 HydrophobicContact CG-CG 4.45Å; E26-R30 WeakPolarHBondContact O-CB 3.37Å; E26-R30 VanDerWaalsContact O-CG 3.32Å; E26-R30 WeakPolarHBondContact O-CG 3.38Å; E26-R30 PolarHBondContact O-N 3.3Å; E26-R30 IonicContact OE1-CZ 2.75Å; E26-R30 IonicContact OE1-NE 2.79Å; E26-R30 PolarHBondContact OE1-NE 2.65Å; E26-R30 IonicContact OE1-NH2 3.14Å; E26-R30 PolarHBondContact OE1-NH2 3.13Å; A27-R30 PolarHBondContact O-N 3.47Å; Q28-R30 VanDerWaalsContact C-N 3.33Å; Q28-R30 PolarHBondContact O-N 2.85Å; R30-I32 VanDerWaalsContact C-N 3.33Å; R30-I32 PolarHBondContact O-N 3.33Å; R30-G33 PolarHBondContact O-N 3.32Å; R30-G33 VanDerWaalsContact O-N 3.11Å; R30-V34 WeakPolarHBondContact O-CG2 3.26Å; R30-V34 PolarHBondContact O-N 3.09Å; R30-H59 PolarHBondContact NH1-O 3.25Å; R30-Y62 PolarHBondContact NH2-O 2.85Å; R30-L67 HydrophobicContact CG-CD1 4.27Å |
| 31 | R | 90.4 | Very high | 90.7 | Very high | 53 Ų | 53 | 39.8 Ų | 39.8 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.6 | -43.3 | 176.1 | -73.5 | 179.6 | -172.4 | -156 | 8.1 | 112.3 | A27 Q28 G33 V34 D35 C188 | A27-R31 WeakPolarHBondContact O-CG 3.04Å; A27-R31 PolarHBondContact O-N 2.9Å; Q28-R31 WeakPolarHBondContact O-CB 3.49Å; Q28-R31 PolarHBondContact O-N 3.06Å; R31-G33 VanDerWaalsContact C-N 3.34Å; R31-G33 PolarHBondContact O-N 2.95Å; R31-V34 PolarHBondContact O-N 3.11Å; R31-D35 WeakPolarHBondContact O-CB 3.47Å; R31-D35 PolarHBondContact O-N 3.15Å; R31-C188 WeakPolarHBondContact CG-O 3.2Å |
| 32 | I | 87.7 | Confident | 91 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.8 | -67.6 | 165.6 | 0 | 0 | 0 | 110.8 | Q28 L29 R30 D35 Y36 F89 | Q28-I32 HydrophobicContact CG-CD1 4.22Å; Q28-I32 WeakPolarHBondContact O-CG1 3.26Å; Q28-I32 PolarHBondContact O-N 3.41Å; L29-I32 PolarHBondContact O-N 3.35Å; R30-I32 VanDerWaalsContact C-N 3.33Å; R30-I32 PolarHBondContact O-N 3.33Å; I32-D35 PolarHBondContact O-N 3.25Å; I32-Y36 VanDerWaalsContact O-CB 3.3Å; I32-Y36 WeakPolarHBondContact O-CB 3.48Å; I32-Y36 PolarHBondContact O-N 2.88Å; I32-F89 HydrophobicContact CG2-CE1 4.2Å; I32-F89 HydrophobicContact CG2-CE2 4.03Å; I32-F89 HydrophobicContact CG2-CZ 3.64Å |
| 33 | G | 89.8 | Confident | 91.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L29 R30 R31 Y36 I37 | L29-G33 PolarHBondContact O-N 2.65Å; R30-G33 PolarHBondContact O-N 3.32Å; R30-G33 VanDerWaalsContact O-N 3.11Å; R31-G33 VanDerWaalsContact C-N 3.34Å; R31-G33 PolarHBondContact O-N 2.95Å; G33-Y36 WeakPolarHBondContact O-CB 3.35Å; G33-Y36 PolarHBondContact O-N 3.19Å; G33-I37 WeakPolarHBondContact O-CG1 2.95Å; G33-I37 PolarHBondContact O-N 3.08Å |
| 34 | V | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -44.4 | 175.5 | 174 | 0 | 0 | 0 | 0 | 111.6 | R30 R31 Y36 I37 R38 T55 H59 | R30-V34 WeakPolarHBondContact O-CG2 3.26Å; R30-V34 PolarHBondContact O-N 3.09Å; R31-V34 PolarHBondContact O-N 3.11Å; V34-Y36 VanDerWaalsContact C-N 3.28Å; V34-Y36 PolarHBondContact O-N 3.1Å; V34-I37 PolarHBondContact O-N 3.38Å; V34-R38 WeakPolarHBondContact O-CB 3.19Å; V34-R38 PolarHBondContact O-N 2.9Å; V34-T55 HydrophobicContact CB-CG2 4.33Å; V34-T55 HydrophobicContact CG1-CG2 3.81Å; V34-T55 HydrophobicContact CG2-CG2 3.63Å; V34-H59 WeakPolarHBondContact CG2-NE2 3.36Å |
| 35 | D | 91 | Very high | 91.6 | Very high | 71 Ų | 71 | 45 Ų | 45 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.1 | -38.7 | 174.8 | 178.7 | 60.4 | 0 | 0 | 0 | 111.6 | R31 I32 R38 K39 | R31-D35 WeakPolarHBondContact O-CB 3.47Å; R31-D35 PolarHBondContact O-N 3.15Å; I32-D35 PolarHBondContact O-N 3.25Å; D35-R38 PolarHBondContact O-N 2.8Å; D35-K39 WeakPolarHBondContact O-CB 3.45Å; D35-K39 VanDerWaalsContact O-CG 3.31Å; D35-K39 WeakPolarHBondContact O-CG 3.48Å; D35-K39 PolarHBondContact O-N 2.7Å; D35-K39 IonicContact OD1-NZ 2.86Å; D35-K39 WeakPolarHBondContact OD2-CE 3.48Å; D35-K39 IonicContact OD2-NZ 2.67Å; D35-K39 PolarHBondContact OD2-NZ 3.42Å |
| 36 | Y | 91 | Very high | 92 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 173.8 | -179.6 | -85.3 | 0 | 0 | 0 | 112.3 | I32 G33 V34 R38 K39 I40 F89 Q90 A93 V94 S117 L121 T123 | I32-Y36 VanDerWaalsContact O-CB 3.3Å; I32-Y36 WeakPolarHBondContact O-CB 3.48Å; I32-Y36 PolarHBondContact O-N 2.88Å; G33-Y36 WeakPolarHBondContact O-CB 3.35Å; G33-Y36 PolarHBondContact O-N 3.19Å; V34-Y36 VanDerWaalsContact C-N 3.28Å; V34-Y36 PolarHBondContact O-N 3.1Å; Y36-R38 VanDerWaalsContact C-N 3.33Å; Y36-R38 PolarHBondContact O-N 3Å; Y36-K39 PolarHBondContact O-N 3.49Å; Y36-I40 HydrophobicContact CD1-CD1 3.9Å; Y36-I40 HydrophobicContact CE1-CD1 3.3Å; Y36-I40 HydrophobicContact CE1-CG1 4.45Å; Y36-I40 HydrophobicContact CE2-CD1 4.39Å; Y36-I40 PolarHBondContact O-N 2.97Å; Y36-F89 HydrophobicContact CD2-CE2 4.14Å; Y36-F89 HydrophobicContact CG-CE2 4.15Å; Y36-Q90 HydrophobicContact CD2-CG 4.07Å; Y36-Q90 HydrophobicContact CE1-CB 4.2Å; Y36-Q90 HydrophobicContact CE1-CG 4.33Å; Y36-Q90 HydrophobicContact CE2-CB 4.22Å; Y36-Q90 HydrophobicContact CE2-CG 3.62Å; Y36-A93 HydrophobicContact CD1-CB 3.42Å; Y36-A93 VanDerWaalsContact CD1-CB 3.42Å; Y36-A93 HydrophobicContact CE1-CB 3.66Å; Y36-V94 HydrophobicContact CE1-CG2 4.31Å; Y36-S117 WeakPolarHBondContact OH-CB 3.3Å; Y36-S117 PolarHBondContact OH-OG 3.42Å; Y36-L121 HydrophobicContact CD2-CD1 3.17Å; Y36-L121 HydrophobicContact CD2-CG 4.44Å; Y36-L121 HydrophobicContact CE2-CB 4.49Å; Y36-L121 HydrophobicContact CE2-CD1 3.32Å; Y36-L121 HydrophobicContact CG-CD1 4.1Å; Y36-T123 HydrophobicContact CE2-CG2 4.19Å |
| 37 | I | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 175.6 | -69.2 | 168 | 0 | 0 | 0 | 110.5 | G33 V34 I40 G41 I51 A54 F58 A93 I97 | G33-I37 WeakPolarHBondContact O-CG1 2.95Å; G33-I37 PolarHBondContact O-N 3.08Å; V34-I37 PolarHBondContact O-N 3.38Å; I37-I40 PolarHBondContact O-N 3.22Å; I37-G41 PolarHBondContact O-N 2.69Å; I37-I51 HydrophobicContact CG2-CG2 4.13Å; I37-A54 HydrophobicContact CG2-CB 4.01Å; I37-F58 HydrophobicContact CD1-CB 3.74Å; I37-F58 HydrophobicContact CD1-CD2 3.92Å; I37-F58 HydrophobicContact CD1-CG 3.88Å; I37-A93 HydrophobicContact CD1-CB 4.08Å; I37-A93 HydrophobicContact CG1-CB 3.5Å; I37-I97 HydrophobicContact CG2-CD1 4.2Å; I37-I97 HydrophobicContact CG2-CG1 4.02Å |
| 38 | R | 93.9 | Very high | 92.4 | Very high | 39 Ų | 39 | 44 Ų | 44 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 179.6 | -173.9 | -177.6 | -60.8 | -90.7 | 2.9 | 111.8 | V34 D35 Y36 I40 G41 D42 | V34-R38 WeakPolarHBondContact O-CB 3.19Å; V34-R38 PolarHBondContact O-N 2.9Å; D35-R38 PolarHBondContact O-N 2.8Å; Y36-R38 VanDerWaalsContact C-N 3.33Å; Y36-R38 PolarHBondContact O-N 3Å; R38-I40 VanDerWaalsContact C-N 3.34Å; R38-I40 PolarHBondContact O-N 3.48Å; R38-G41 CarbonylContact O-C 3.49Å; R38-G41 WeakPolarHBondContact O-CA 3.4Å; R38-G41 PolarHBondContact O-N 3.07Å; R38-G41 VanDerWaalsContact O-N 3.08Å; R38-D42 VanDerWaalsContact O-CG 3.26Å; R38-D42 PolarHBondContact O-N 3.02Å |
| 39 | K | 92.5 | Very high | 92.7 | Very high | 83 Ų | 83 | 43 Ų | 43 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.2 | -42.7 | 179.1 | -78.4 | 170.6 | 175 | 166.3 | 0 | 113.1 | D35 Y36 K43 L121 | D35-K39 WeakPolarHBondContact O-CB 3.45Å; D35-K39 VanDerWaalsContact O-CG 3.31Å; D35-K39 WeakPolarHBondContact O-CG 3.48Å; D35-K39 PolarHBondContact O-N 2.7Å; D35-K39 IonicContact OD1-NZ 2.86Å; D35-K39 WeakPolarHBondContact OD2-CE 3.48Å; D35-K39 IonicContact OD2-NZ 2.67Å; D35-K39 PolarHBondContact OD2-NZ 3.42Å; Y36-K39 PolarHBondContact O-N 3.49Å; K39-K43 WeakPolarHBondContact O-CB 3.33Å; K39-K43 PolarHBondContact O-N 3.13Å; K39-K43 VanDerWaalsContact O-N 3.15Å; K39-L121 HydrophobicContact CD-CD1 4.41Å; K39-L121 HydrophobicContact CD-CD2 4.15Å |
| 40 | I | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.8 | -45.7 | 174.7 | -66.9 | 175.1 | 0 | 0 | 0 | 109.9 | Y36 I37 R38 D42 K43 M44 V94 I97 I113 C116 | Y36-I40 HydrophobicContact CD1-CD1 3.9Å; Y36-I40 HydrophobicContact CE1-CD1 3.3Å; Y36-I40 HydrophobicContact CE1-CG1 4.45Å; Y36-I40 HydrophobicContact CE2-CD1 4.39Å; Y36-I40 PolarHBondContact O-N 2.97Å; I37-I40 PolarHBondContact O-N 3.22Å; R38-I40 VanDerWaalsContact C-N 3.34Å; R38-I40 PolarHBondContact O-N 3.48Å; I40-D42 PolarHBondContact O-N 2.67Å; I40-K43 PolarHBondContact O-N 3.48Å; I40-M44 HydrophobicContact CG2-CG 4.37Å; I40-M44 HydrophobicContact CG2-SD 3.92Å; I40-M44 WeakPolarHBondContact O-CB 3.4Å; I40-M44 WeakPolarHBondContact O-CG 3.3Å; I40-M44 PolarHBondContact O-N 2.99Å; I40-V94 HydrophobicContact CD1-CG2 4.31Å; I40-I97 HydrophobicContact CB-CD1 4.01Å; I40-I97 HydrophobicContact CD1-CD1 4.27Å; I40-I97 HydrophobicContact CG2-CD1 3.81Å; I40-I113 HydrophobicContact CG2-CG2 3.99Å; I40-C116 HydrophobicContact CG2-CB 4.5Å |
| 41 | G | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.8 | -51 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I37 R38 M44 N45 L46 | I37-G41 PolarHBondContact O-N 2.69Å; R38-G41 CarbonylContact O-C 3.49Å; R38-G41 WeakPolarHBondContact O-CA 3.4Å; R38-G41 PolarHBondContact O-N 3.07Å; R38-G41 VanDerWaalsContact O-N 3.08Å; G41-M44 PolarHBondContact O-N 3.26Å; G41-N45 PolarHBondContact O-N 3.13Å; G41-L46 PolarHBondContact O-N 3.32Å |
| 42 | D | 93.4 | Very high | 93.7 | Very high | 79 Ų | 79 | 39.7 Ų | 39.7 | 42% | 0.422 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.4 | -45.7 | -179.8 | -66 | -17.4 | 0 | 0 | 0 | 111 | R38 I40 M44 N45 | R38-D42 VanDerWaalsContact O-CG 3.26Å; R38-D42 PolarHBondContact O-N 3.02Å; I40-D42 PolarHBondContact O-N 2.67Å; D42-M44 VanDerWaalsContact C-N 3.35Å; D42-M44 PolarHBondContact O-N 3.3Å; D42-N45 PolarHBondContact O-N 3.2Å; D42-N45 VanDerWaalsContact O-N 3.11Å |
| 43 | K | 93.3 | Very high | 94.1 | Very high | 105 Ų | 105 | 37.3 Ų | 37.3 | 46% | 0.457 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.2 | -34.6 | -179.4 | -175.5 | 170.4 | -175 | 172.3 | 0 | 113.2 | K39 I40 N45 C116 D119 C120 | K39-K43 WeakPolarHBondContact O-CB 3.33Å; K39-K43 PolarHBondContact O-N 3.13Å; K39-K43 VanDerWaalsContact O-N 3.15Å; I40-K43 PolarHBondContact O-N 3.48Å; K43-N45 VanDerWaalsContact C-N 3.29Å; K43-C116 VanDerWaalsContact CD-SG 3.58Å; K43-D119 PolarHBondContact NZ-O 3.29Å; K43-C120 WeakPolarHBondContact CD-SG 3.42Å |
| 44 | M | 93.7 | Very high | 94.5 | Very high | 42 Ų | 42 | 37.3 Ų | 37.3 | 21% | 0.207 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -1.3 | 175 | -65.7 | -171 | 73.6 | 0 | 0 | 113.3 | I40 G41 D42 L46 K108 D112 I113 C116 | I40-M44 HydrophobicContact CG2-CG 4.37Å; I40-M44 HydrophobicContact CG2-SD 3.92Å; I40-M44 WeakPolarHBondContact O-CB 3.4Å; I40-M44 WeakPolarHBondContact O-CG 3.3Å; I40-M44 PolarHBondContact O-N 2.99Å; G41-M44 PolarHBondContact O-N 3.26Å; D42-M44 VanDerWaalsContact C-N 3.35Å; D42-M44 PolarHBondContact O-N 3.3Å; M44-L46 VanDerWaalsContact C-N 3.29Å; M44-L46 HydrophobicContact CB-CD2 3.72Å; M44-L46 HydrophobicContact CB-CG 3.83Å; M44-L46 PolarHBondContact O-N 3.06Å; M44-K108 HydrophobicContact CE-CB 4.36Å; M44-K108 HydrophobicContact CE-CD 4.41Å; M44-K108 HydrophobicContact CE-CG 4.39Å; M44-D112 HydrophobicContact CE-CB 4Å; M44-I113 HydrophobicContact CE-CG1 4.05Å; M44-I113 HydrophobicContact SD-CB 4.23Å; M44-I113 HydrophobicContact SD-CG1 3.97Å; M44-I113 HydrophobicContact SD-CG2 4.46Å; M44-C116 HydrophobicContact CG-CB 3.68Å; M44-C116 WeakPolarHBondContact CG-SG 3.27Å; M44-C116 HydrophobicContact SD-CB 3.83Å |
| 45 | N | 94.5 | Very high | 94.7 | Very high | 146 Ų | 146 | 37.4 Ų | 37.4 | 78% | 0.781 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 47.2 | -173.9 | -164.8 | 46.7 | 0 | 0 | 0 | 112 | G41 D42 K43 | G41-N45 PolarHBondContact O-N 3.13Å; D42-N45 PolarHBondContact O-N 3.2Å; D42-N45 VanDerWaalsContact O-N 3.11Å; K43-N45 VanDerWaalsContact C-N 3.29Å |
| 46 | L | 95.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.063 | 17% | 0.172 | C | C | . | . | trans | -72.3 | 149.1 | 176.3 | -54.9 | -174.9 | 0 | 0 | 0 | 110.3 | G41 M44 Y48 M50 I51 I97 K108 | G41-L46 PolarHBondContact O-N 3.32Å; M44-L46 VanDerWaalsContact C-N 3.29Å; M44-L46 HydrophobicContact CB-CD2 3.72Å; M44-L46 HydrophobicContact CB-CG 3.83Å; M44-L46 PolarHBondContact O-N 3.06Å; L46-Y48 PolarHBondContact O-N 3.31Å; L46-M50 HydrophobicContact CB-SD 4.13Å; L46-M50 HydrophobicContact CD1-CE 3.69Å; L46-M50 HydrophobicContact CD1-SD 4.08Å; L46-M50 HydrophobicContact CD2-CE 4.38Å; L46-M50 HydrophobicContact CD2-SD 4.28Å; L46-M50 HydrophobicContact CG-SD 4.38Å; L46-I51 HydrophobicContact CB-CD1 4.26Å; L46-I51 HydrophobicContact CB-CG1 4.06Å; L46-I97 HydrophobicContact CD1-CG2 3.83Å; L46-K108 HydrophobicContact CD2-CD 4.03Å; L46-K108 HydrophobicContact CD2-CG 3.7Å | ||
| 47 | P | 95.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 34% | 0.344 | 17% | 0.171 | S | C | . | . | trans | -55.6 | 140.8 | 172.2 | -22.2 | 32.4 | 0 | 0 | 0 | 111.3 | D49 M50 I51 T106 | P47-D49 VanDerWaalsContact C-N 3.28Å; P47-D49 PolarHBondContact O-N 2.96Å; P47-M50 HydrophobicContact CB-CB 4.32Å; P47-M50 WeakPolarHBondContact O-CB 3.34Å; P47-M50 PolarHBondContact O-N 3.14Å; P47-M50 VanDerWaalsContact O-N 3.11Å; P47-I51 PolarHBondContact O-N 3.27Å; P47-T106 HydrophobicContact CG-CG2 4.09Å | ||
| 48 | Y | 93.7 | Very high | 95.3 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.5 | -45.5 | 178.7 | 171.9 | -92.8 | 0 | 0 | 0 | 112.1 | L46 M50 I51 A52 L153 H155 N184 L187 | L46-Y48 PolarHBondContact O-N 3.31Å; Y48-M50 PolarHBondContact O-N 3.35Å; Y48-I51 WeakPolarHBondContact O-CB 3.14Å; Y48-I51 PolarHBondContact O-N 3.02Å; Y48-A52 HydrophobicContact CE1-CB 4Å; Y48-A52 PolarHBondContact O-N 3.06Å; Y48-L153 HydrophobicContact CE1-CD1 4.44Å; Y48-H155 AromaticContact CE1-CE1 3.66Å; Y48-H155 AromaticContact CE1-ND1 4Å; Y48-H155 AromaticContact CE1-NE2 3.77Å; Y48-H155 AromaticContact CZ-CE1 3.67Å; Y48-H155 AromaticContact CZ-NE2 3.66Å; Y48-H155 PolarHBondContact OH-CE1 3.09Å; Y48-H155 PolarHBondContact OH-NE2 3.27Å; Y48-N184 WeakPolarHBondContact CE2-OD1 3.45Å; Y48-N184 PolarHBondContact OH-OD1 3.02Å; Y48-L187 WeakPolarHBondContact OH-CD1 3.28Å |
| 49 | D | 94.1 | Very high | 95.4 | Very high | 77 Ų | 77 | 32.7 Ų | 32.7 | 41% | 0.412 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58 | -39.8 | -179.3 | -62.4 | -29.8 | 0 | 0 | 0 | 111.2 | P47 I51 A52 S53 L153 | P47-D49 VanDerWaalsContact C-N 3.28Å; P47-D49 PolarHBondContact O-N 2.96Å; D49-I51 PolarHBondContact O-N 2.87Å; D49-A52 PolarHBondContact O-N 2.58Å; D49-S53 VanDerWaalsContact O-CB 3.25Å; D49-S53 WeakPolarHBondContact O-CB 3.37Å; D49-S53 PolarHBondContact O-N 3.24Å; D49-S53 PolarHBondContact O-OG 3.33Å; D49-L153 HydrophobicContact CB-CD1 4.31Å |
| 50 | M | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 175.1 | -178.3 | -172 | 163.9 | 0 | 0 | 112.6 | L46 P47 Y48 A54 I97 A100 G101 E104 K108 | L46-M50 HydrophobicContact CB-SD 4.13Å; L46-M50 HydrophobicContact CD1-CE 3.69Å; L46-M50 HydrophobicContact CD1-SD 4.08Å; L46-M50 HydrophobicContact CD2-CE 4.38Å; L46-M50 HydrophobicContact CD2-SD 4.28Å; L46-M50 HydrophobicContact CG-SD 4.38Å; P47-M50 HydrophobicContact CB-CB 4.32Å; P47-M50 WeakPolarHBondContact O-CB 3.34Å; P47-M50 PolarHBondContact O-N 3.14Å; P47-M50 VanDerWaalsContact O-N 3.11Å; Y48-M50 PolarHBondContact O-N 3.35Å; M50-A54 VanDerWaalsContact O-CB 3.32Å; M50-A54 WeakPolarHBondContact O-CB 3.49Å; M50-A54 PolarHBondContact O-N 3.26Å; M50-I97 HydrophobicContact CE-CG2 3.59Å; M50-I97 WeakPolarHBondContact CE-O 3.28Å; M50-A100 HydrophobicContact CG-CB 4.2Å; M50-G101 VanDerWaalsContact CE-CA 3.47Å; M50-E104 HydrophobicContact CB-CB 4.49Å; M50-E104 HydrophobicContact CB-CG 4.29Å; M50-K108 HydrophobicContact CE-CG 4.42Å |
| 51 | I | 97.1 | Very high | 95.5 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | 178.2 | -61.1 | 171.2 | 0 | 0 | 0 | 110.3 | I37 L46 P47 Y48 D49 A54 T55 | I37-I51 HydrophobicContact CG2-CG2 4.13Å; L46-I51 HydrophobicContact CB-CD1 4.26Å; L46-I51 HydrophobicContact CB-CG1 4.06Å; P47-I51 PolarHBondContact O-N 3.27Å; Y48-I51 WeakPolarHBondContact O-CB 3.14Å; Y48-I51 PolarHBondContact O-N 3.02Å; D49-I51 PolarHBondContact O-N 2.87Å; I51-A54 PolarHBondContact O-N 3.06Å; I51-T55 WeakPolarHBondContact O-CB 3.23Å; I51-T55 PolarHBondContact O-N 2.91Å; I51-T55 PolarHBondContact O-OG1 3.19Å |
| 52 | A | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.9 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y48 D49 A54 T55 V56 L153 L187 | Y48-A52 HydrophobicContact CE1-CB 4Å; Y48-A52 PolarHBondContact O-N 3.06Å; D49-A52 PolarHBondContact O-N 2.58Å; A52-A54 PolarHBondContact O-N 3.23Å; A52-T55 WeakPolarHBondContact O-CB 3.32Å; A52-T55 PolarHBondContact O-N 3.44Å; A52-T55 VanDerWaalsContact O-N 3.12Å; A52-V56 WeakPolarHBondContact O-CG2 3.45Å; A52-V56 PolarHBondContact O-N 3.49Å; A52-L153 HydrophobicContact CB-CD1 3.53Å; A52-L153 HydrophobicContact CB-CD2 3.65Å; A52-L153 HydrophobicContact CB-CG 4.25Å; A52-L187 HydrophobicContact CB-CD1 3.7Å |
| 53 | S | 97 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 173.3 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | D49 T55 V56 L57 E104 | D49-S53 VanDerWaalsContact O-CB 3.25Å; D49-S53 WeakPolarHBondContact O-CB 3.37Å; D49-S53 PolarHBondContact O-N 3.24Å; D49-S53 PolarHBondContact O-OG 3.33Å; S53-T55 VanDerWaalsContact C-N 3.29Å; S53-T55 PolarHBondContact O-N 2.84Å; S53-V56 PolarHBondContact O-N 2.89Å; S53-L57 WeakPolarHBondContact O-CG 3.24Å; S53-L57 PolarHBondContact O-N 2.99Å; S53-E104 PolarHBondContact OG-OE1 3.11Å |
| 54 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I37 M50 I51 A52 L57 F58 C96 I97 A100 | I37-A54 HydrophobicContact CG2-CB 4.01Å; M50-A54 VanDerWaalsContact O-CB 3.32Å; M50-A54 WeakPolarHBondContact O-CB 3.49Å; M50-A54 PolarHBondContact O-N 3.26Å; I51-A54 PolarHBondContact O-N 3.06Å; A52-A54 PolarHBondContact O-N 3.23Å; A54-L57 PolarHBondContact O-N 3.06Å; A54-F58 WeakPolarHBondContact O-CB 3.21Å; A54-F58 PolarHBondContact O-N 2.87Å; A54-C96 HydrophobicContact CB-CB 4.24Å; A54-C96 WeakPolarHBondContact O-CB 3.42Å; A54-I97 HydrophobicContact CB-CG1 4.07Å; A54-A100 HydrophobicContact CB-CB 3.84Å |
| 55 | T | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 177.2 | -61.9 | 0 | 0 | 0 | 0 | 112 | V34 I51 A52 S53 F58 H59 L187 | V34-T55 HydrophobicContact CB-CG2 4.33Å; V34-T55 HydrophobicContact CG1-CG2 3.81Å; V34-T55 HydrophobicContact CG2-CG2 3.63Å; I51-T55 WeakPolarHBondContact O-CB 3.23Å; I51-T55 PolarHBondContact O-N 2.91Å; I51-T55 PolarHBondContact O-OG1 3.19Å; A52-T55 WeakPolarHBondContact O-CB 3.32Å; A52-T55 PolarHBondContact O-N 3.44Å; A52-T55 VanDerWaalsContact O-N 3.12Å; S53-T55 VanDerWaalsContact C-N 3.29Å; S53-T55 PolarHBondContact O-N 2.84Å; T55-F58 WeakPolarHBondContact O-CB 3.33Å; T55-F58 PolarHBondContact O-N 3Å; T55-H59 PolarHBondContact O-CD2 3.24Å; T55-H59 PolarHBondContact O-N 3.3Å; T55-L187 HydrophobicContact CG2-CB 3.94Å; T55-L187 HydrophobicContact CG2-CD2 4.42Å; T55-L187 WeakPolarHBondContact CG2-O 3.33Å |
| 56 | V | 97 | Very high | 94.8 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 8% | 0.079 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.6 | 175 | 0 | 0 | 0 | 0 | 111.1 | A52 S53 F58 H59 H60 V151 L153 L187 C192 | A52-V56 WeakPolarHBondContact O-CG2 3.45Å; A52-V56 PolarHBondContact O-N 3.49Å; S53-V56 PolarHBondContact O-N 2.89Å; V56-F58 VanDerWaalsContact C-N 3.29Å; V56-F58 PolarHBondContact O-N 3.38Å; V56-H59 PolarHBondContact O-N 2.91Å; V56-H60 PolarHBondContact O-CD2 3.46Å; V56-H60 VanDerWaalsContact O-CD2 3.26Å; V56-H60 PolarHBondContact O-N 2.82Å; V56-V151 HydrophobicContact CB-CG1 3.76Å; V56-V151 HydrophobicContact CB-CG2 4.13Å; V56-V151 HydrophobicContact CG1-CG1 3.88Å; V56-V151 HydrophobicContact CG1-CG2 4.08Å; V56-V151 HydrophobicContact CG2-CG1 3.77Å; V56-L153 HydrophobicContact CG2-CD2 4.38Å; V56-L187 HydrophobicContact CG2-CD2 4.11Å; V56-C192 HydrophobicContact CG2-CB 4.05Å |
| 57 | L | 96.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.1 | -39.8 | 175.3 | -67.9 | 178.4 | 0 | 0 | 0 | 112 | S53 A54 H60 F61 C96 V99 A100 I145 V151 | S53-L57 WeakPolarHBondContact O-CG 3.24Å; S53-L57 PolarHBondContact O-N 2.99Å; A54-L57 PolarHBondContact O-N 3.06Å; L57-H60 PolarHBondContact O-N 3.38Å; L57-F61 WeakPolarHBondContact O-CB 3.5Å; L57-F61 PolarHBondContact O-N 3.4Å; L57-C96 HydrophobicContact CB-CB 4.39Å; L57-V99 HydrophobicContact CD1-CB 4.38Å; L57-V99 HydrophobicContact CD1-CG1 3.93Å; L57-A100 HydrophobicContact CD1-CB 4.4Å; L57-I145 HydrophobicContact CD2-CD1 3.77Å; L57-I145 HydrophobicContact CD2-CG2 4.25Å; L57-V151 HydrophobicContact CD2-CG2 4.22Å; L57-V151 HydrophobicContact CG-CG2 4.23Å |
| 58 | F | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.3 | 177.3 | -86.8 | 0 | 0 | 0 | 111.6 | I37 A54 T55 V56 H60 F61 Y62 F89 T92 A93 | I37-F58 HydrophobicContact CD1-CB 3.74Å; I37-F58 HydrophobicContact CD1-CD2 3.92Å; I37-F58 HydrophobicContact CD1-CG 3.88Å; A54-F58 WeakPolarHBondContact O-CB 3.21Å; A54-F58 PolarHBondContact O-N 2.87Å; T55-F58 WeakPolarHBondContact O-CB 3.33Å; T55-F58 PolarHBondContact O-N 3Å; V56-F58 VanDerWaalsContact C-N 3.29Å; V56-F58 PolarHBondContact O-N 3.38Å; F58-H60 PolarHBondContact O-N 3.19Å; F58-F61 PolarHBondContact O-N 3.3Å; F58-Y62 HydrophobicContact CD1-CD2 4.22Å; F58-Y62 HydrophobicContact CD1-CE2 4.43Å; F58-Y62 HydrophobicContact CD2-CD2 4.41Å; F58-Y62 AromaticContact CD2-CE2 3.91Å; F58-Y62 HydrophobicContact CD2-CE2 3.91Å; F58-Y62 AromaticContact CE1-CD2 3.91Å; F58-Y62 HydrophobicContact CE1-CD2 3.91Å; F58-Y62 AromaticContact CE1-CE2 3.96Å; F58-Y62 HydrophobicContact CE1-CE2 3.96Å; F58-Y62 HydrophobicContact CE2-CD2 4.16Å; F58-Y62 AromaticContact CE2-CE2 3.43Å; F58-Y62 HydrophobicContact CE2-CE2 3.43Å; F58-Y62 VanDerWaalsContact CE2-CE2 3.43Å; F58-Y62 HydrophobicContact CG-CD2 4.44Å; F58-Y62 HydrophobicContact CG-CE2 4.39Å; F58-Y62 AromaticContact CZ-CD2 3.87Å; F58-Y62 HydrophobicContact CZ-CD2 3.87Å; F58-Y62 AromaticContact CZ-CE2 3.42Å; F58-Y62 HydrophobicContact CZ-CE2 3.42Å; F58-Y62 VanDerWaalsContact CZ-CE2 3.42Å; F58-Y62 WeakPolarHBondContact O-CD2 3.48Å; F58-Y62 PolarHBondContact O-N 2.95Å; F58-F89 HydrophobicContact CE2-CB 4.22Å; F58-F89 HydrophobicContact CZ-CB 4.27Å; F58-T92 HydrophobicContact CD2-CG2 3.91Å; F58-T92 HydrophobicContact CE2-CG2 4.27Å; F58-A93 HydrophobicContact CD2-CB 4.43Å; F58-A93 HydrophobicContact CE2-CB 4.43Å |
| 59 | H | 95.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 175.4 | -83.8 | -72.4 | 0 | 0 | 0 | 112.4 | R30 V34 T55 V56 F61 Y62 L187 T189 L193 | R30-H59 PolarHBondContact NH1-O 3.25Å; V34-H59 WeakPolarHBondContact CG2-NE2 3.36Å; T55-H59 PolarHBondContact O-CD2 3.24Å; T55-H59 PolarHBondContact O-N 3.3Å; V56-H59 PolarHBondContact O-N 2.91Å; H59-F61 PolarHBondContact O-N 3.5Å; H59-Y62 PolarHBondContact O-N 2.58Å; H59-L187 PolarHBondContact NE2-O 3.26Å; H59-L187 VanDerWaalsContact NE2-O 3.13Å; H59-T189 PolarHBondContact CE1-O 3.45Å; H59-T189 VanDerWaalsContact CE1-O 3.27Å; H59-T189 PolarHBondContact NE2-O 3.26Å; H59-L193 HydrophobicContact CB-CD1 3.98Å; H59-L193 HydrophobicContact CB-CD2 4.04Å; H59-L193 HydrophobicContact CB-CG 3.99Å |
| 60 | H | 94.8 | Very high | 89.5 | Confident | 22 Ų | 22 | 23.4 Ų | 23.4 | 10% | 0.102 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 177.6 | -85.5 | -136.9 | 0 | 0 | 0 | 111.8 | V56 L57 F58 Y62 M63 Y64 I145 L193 | V56-H60 PolarHBondContact O-CD2 3.46Å; V56-H60 VanDerWaalsContact O-CD2 3.26Å; V56-H60 PolarHBondContact O-N 2.82Å; L57-H60 PolarHBondContact O-N 3.38Å; F58-H60 PolarHBondContact O-N 3.19Å; H60-Y62 VanDerWaalsContact C-N 3.32Å; H60-Y62 PolarHBondContact O-N 2.94Å; H60-M63 WeakPolarHBondContact O-CB 3.34Å; H60-M63 PolarHBondContact O-N 2.94Å; H60-Y64 WeakPolarHBondContact O-CD2 3.36Å; H60-I145 HydrophobicContact CB-CG2 4.48Å; H60-L193 WeakPolarHBondContact CD2-CD2 3.16Å |
| 61 | F | 93.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.5 | -46.3 | -178.9 | -176.2 | -100.3 | 0 | 0 | 0 | 112.2 | L57 F58 H59 M63 Y64 Y65 F70 T92 L137 V140 L141 T144 | L57-F61 WeakPolarHBondContact O-CB 3.5Å; L57-F61 PolarHBondContact O-N 3.4Å; F58-F61 PolarHBondContact O-N 3.3Å; H59-F61 PolarHBondContact O-N 3.5Å; F61-M63 PolarHBondContact O-N 2.79Å; F61-M63 VanDerWaalsContact O-N 3.16Å; F61-Y64 PolarHBondContact O-N 2.96Å; F61-Y65 HydrophobicContact CD1-CD2 4.21Å; F61-Y65 AromaticContact CD2-CD2 3.89Å; F61-Y65 HydrophobicContact CD2-CD2 3.89Å; F61-Y65 HydrophobicContact CD2-CE2 4.05Å; F61-Y65 AromaticContact CE1-CD2 3.89Å; F61-Y65 HydrophobicContact CE1-CD2 3.89Å; F61-Y65 HydrophobicContact CE1-CG 4.28Å; F61-Y65 AromaticContact CE2-CD2 3.54Å; F61-Y65 HydrophobicContact CE2-CD2 3.54Å; F61-Y65 AromaticContact CE2-CE2 3.58Å; F61-Y65 HydrophobicContact CE2-CE2 3.58Å; F61-Y65 HydrophobicContact CG-CD2 4.23Å; F61-Y65 AromaticContact CZ-CD2 3.56Å; F61-Y65 HydrophobicContact CZ-CD2 3.56Å; F61-Y65 AromaticContact CZ-CE2 3.97Å; F61-Y65 HydrophobicContact CZ-CE2 3.97Å; F61-Y65 HydrophobicContact CZ-CG 4.13Å; F61-Y65 WeakPolarHBondContact O-CD2 3.46Å; F61-Y65 PolarHBondContact O-N 2.75Å; F61-F70 HydrophobicContact CE1-CD2 4.02Å; F61-F70 AromaticContact CE1-CE2 3.41Å; F61-F70 HydrophobicContact CE1-CE2 3.41Å; F61-F70 VanDerWaalsContact CE1-CE2 3.41Å; F61-F70 AromaticContact CE1-CZ 4Å; F61-F70 HydrophobicContact CE1-CZ 4Å; F61-F70 HydrophobicContact CE2-CE2 4.42Å; F61-F70 HydrophobicContact CE2-CZ 4.3Å; F61-F70 HydrophobicContact CZ-CD2 4.2Å; F61-F70 HydrophobicContact CZ-CE1 4.27Å; F61-F70 AromaticContact CZ-CE2 3.24Å; F61-F70 HydrophobicContact CZ-CE2 3.24Å; F61-F70 AromaticContact CZ-CZ 3.33Å; F61-F70 HydrophobicContact CZ-CZ 3.33Å; F61-T92 HydrophobicContact CB-CG2 4.41Å; F61-T92 HydrophobicContact CD1-CG2 3.47Å; F61-T92 VanDerWaalsContact CD1-CG2 3.47Å; F61-T92 HydrophobicContact CE1-CG2 3.8Å; F61-T92 HydrophobicContact CG-CG2 3.99Å; F61-L137 HydrophobicContact CE2-CD1 4.22Å; F61-L137 HydrophobicContact CZ-CD1 3.71Å; F61-L137 HydrophobicContact CZ-CG 4.49Å; F61-V140 HydrophobicContact CE2-CG1 4.32Å; F61-L141 HydrophobicContact CB-CD1 4.08Å; F61-L141 HydrophobicContact CD2-CB 4.42Å; F61-L141 HydrophobicContact CD2-CD1 3.62Å; F61-L141 HydrophobicContact CE2-CB 4.47Å; F61-L141 HydrophobicContact CE2-CD1 4.45Å; F61-L141 HydrophobicContact CG-CD1 4.22Å; F61-T144 HydrophobicContact CD2-CG2 4.47Å |
| 62 | Y | 93.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 5.2 | 179.5 | -72 | -66.9 | 0 | 0 | 0 | 114.6 | R30 F58 H59 H60 Y64 Y65 L67 F89 T92 | R30-Y62 PolarHBondContact NH2-O 2.85Å; F58-Y62 HydrophobicContact CD1-CD2 4.22Å; F58-Y62 HydrophobicContact CD1-CE2 4.43Å; F58-Y62 HydrophobicContact CD2-CD2 4.41Å; F58-Y62 AromaticContact CD2-CE2 3.91Å; F58-Y62 HydrophobicContact CD2-CE2 3.91Å; F58-Y62 AromaticContact CE1-CD2 3.91Å; F58-Y62 HydrophobicContact CE1-CD2 3.91Å; F58-Y62 AromaticContact CE1-CE2 3.96Å; F58-Y62 HydrophobicContact CE1-CE2 3.96Å; F58-Y62 HydrophobicContact CE2-CD2 4.16Å; F58-Y62 AromaticContact CE2-CE2 3.43Å; F58-Y62 HydrophobicContact CE2-CE2 3.43Å; F58-Y62 VanDerWaalsContact CE2-CE2 3.43Å; F58-Y62 HydrophobicContact CG-CD2 4.44Å; F58-Y62 HydrophobicContact CG-CE2 4.39Å; F58-Y62 AromaticContact CZ-CD2 3.87Å; F58-Y62 HydrophobicContact CZ-CD2 3.87Å; F58-Y62 AromaticContact CZ-CE2 3.42Å; F58-Y62 HydrophobicContact CZ-CE2 3.42Å; F58-Y62 VanDerWaalsContact CZ-CE2 3.42Å; F58-Y62 WeakPolarHBondContact O-CD2 3.48Å; F58-Y62 PolarHBondContact O-N 2.95Å; H59-Y62 PolarHBondContact O-N 2.58Å; H60-Y62 VanDerWaalsContact C-N 3.32Å; H60-Y62 PolarHBondContact O-N 2.94Å; Y62-Y64 VanDerWaalsContact C-N 3.33Å; Y62-Y65 CarbonylContact C-O 3.47Å; Y62-Y65 WeakPolarHBondContact CA-O 3.43Å; Y62-L67 HydrophobicContact CD1-CB 4.44Å; Y62-L67 HydrophobicContact CD1-CD2 3.64Å; Y62-L67 HydrophobicContact CD1-CG 3.56Å; Y62-L67 HydrophobicContact CD2-CD2 3.99Å; Y62-L67 HydrophobicContact CE1-CB 4.34Å; Y62-L67 HydrophobicContact CE1-CD2 3.41Å; Y62-L67 VanDerWaalsContact CE1-CD2 3.41Å; Y62-L67 HydrophobicContact CE1-CG 3.72Å; Y62-L67 HydrophobicContact CE2-CD2 3.77Å; Y62-L67 HydrophobicContact CG-CD2 3.93Å; Y62-L67 HydrophobicContact CG-CG 4.02Å; Y62-L67 VanDerWaalsContact CZ-CD2 3.46Å; Y62-F89 WeakPolarHBondContact OH-CA 3.5Å; Y62-T92 HydrophobicContact CE2-CG2 3.84Å; Y62-T92 PolarHBondContact OH-OG1 3Å |
| 63 | M | 93.8 | Very high | 81.7 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.9 | 162 | -69.1 | -55.7 | -61 | 0 | 0 | 112.5 | F6 L11 T14 P15 H60 F61 L193 | F6-M63 HydrophobicContact CB-CE 4.02Å; F6-M63 HydrophobicContact CD1-CE 3.6Å; F6-M63 HydrophobicContact CD2-CE 4.15Å; F6-M63 HydrophobicContact CD2-CG 4Å; F6-M63 HydrophobicContact CE1-CB 4.1Å; F6-M63 HydrophobicContact CE1-CE 4.02Å; F6-M63 HydrophobicContact CE1-CG 4.37Å; F6-M63 HydrophobicContact CE2-CB 4.06Å; F6-M63 HydrophobicContact CE2-CG 3.72Å; F6-M63 HydrophobicContact CG-CE 3.66Å; F6-M63 HydrophobicContact CG-CG 4.45Å; F6-M63 HydrophobicContact CZ-CB 3.73Å; F6-M63 HydrophobicContact CZ-CE 4.47Å; F6-M63 HydrophobicContact CZ-CG 3.91Å; L11-M63 HydrophobicContact CD2-CE 4.02Å; L11-M63 HydrophobicContact CD2-SD 3.6Å; L11-M63 HydrophobicContact CG-CE 4.48Å; T14-M63 HydrophobicContact CG2-CE 4.43Å; T14-M63 HydrophobicContact CG2-SD 4.13Å; P15-M63 WeakPolarHBondContact CD-O 3.46Å; P15-M63 WeakPolarHBondContact CG-O 3.22Å; H60-M63 WeakPolarHBondContact O-CB 3.34Å; H60-M63 PolarHBondContact O-N 2.94Å; F61-M63 PolarHBondContact O-N 2.79Å; F61-M63 VanDerWaalsContact O-N 3.16Å; M63-L193 HydrophobicContact CG-CD1 3.74Å; M63-L193 HydrophobicContact CG-CD2 4.18Å; M63-L193 HydrophobicContact SD-CD1 3.81Å |
| 64 | Y | 91.6 | Very high | 79.1 | Confident | 95 Ų | 95 | 43.4 Ų | 43.4 | 37% | 0.373 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -20.6 | -178.3 | -62.8 | -81.2 | 0 | 0 | 0 | 113.3 | F6 H60 F61 Y62 T144 | F6-Y64 HydrophobicContact CZ-CE2 4.21Å; H60-Y64 WeakPolarHBondContact O-CD2 3.36Å; F61-Y64 PolarHBondContact O-N 2.96Å; Y62-Y64 VanDerWaalsContact C-N 3.33Å; Y64-T144 HydrophobicContact CD2-CG2 3.33Å; Y64-T144 HydrophobicContact CE2-CG2 4.08Å; Y64-T144 HydrophobicContact CG-CG2 3.64Å |
| 65 | Y | 90.4 | Very high | 76.4 | Confident | 74 Ų | 74 | 50.9 Ų | 50.9 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -129.4 | 157.8 | 179.7 | -57.1 | -83 | 0 | 0 | 0 | 112.9 | F61 Y62 F70 V140 T144 | F61-Y65 HydrophobicContact CD1-CD2 4.21Å; F61-Y65 AromaticContact CD2-CD2 3.89Å; F61-Y65 HydrophobicContact CD2-CD2 3.89Å; F61-Y65 HydrophobicContact CD2-CE2 4.05Å; F61-Y65 AromaticContact CE1-CD2 3.89Å; F61-Y65 HydrophobicContact CE1-CD2 3.89Å; F61-Y65 HydrophobicContact CE1-CG 4.28Å; F61-Y65 AromaticContact CE2-CD2 3.54Å; F61-Y65 HydrophobicContact CE2-CD2 3.54Å; F61-Y65 AromaticContact CE2-CE2 3.58Å; F61-Y65 HydrophobicContact CE2-CE2 3.58Å; F61-Y65 HydrophobicContact CG-CD2 4.23Å; F61-Y65 AromaticContact CZ-CD2 3.56Å; F61-Y65 HydrophobicContact CZ-CD2 3.56Å; F61-Y65 AromaticContact CZ-CE2 3.97Å; F61-Y65 HydrophobicContact CZ-CE2 3.97Å; F61-Y65 HydrophobicContact CZ-CG 4.13Å; F61-Y65 WeakPolarHBondContact O-CD2 3.46Å; F61-Y65 PolarHBondContact O-N 2.75Å; Y62-Y65 CarbonylContact C-O 3.47Å; Y62-Y65 WeakPolarHBondContact CA-O 3.43Å; Y65-F70 VanDerWaalsContact CB-CE2 3.45Å; Y65-F70 AromaticContact CD1-CE2 3.54Å; Y65-F70 HydrophobicContact CD1-CE2 3.54Å; Y65-F70 AromaticContact CD1-CZ 3.8Å; Y65-F70 HydrophobicContact CD1-CZ 3.8Å; Y65-F70 AromaticContact CD2-CE2 3.99Å; Y65-F70 HydrophobicContact CD2-CE2 3.99Å; Y65-F70 HydrophobicContact CD2-CZ 4.34Å; Y65-F70 HydrophobicContact CE1-CE2 4.28Å; Y65-F70 HydrophobicContact CE1-CZ 4.08Å; Y65-F70 HydrophobicContact CG-CD2 4.44Å; Y65-F70 AromaticContact CG-CE2 3.39Å; Y65-F70 HydrophobicContact CG-CE2 3.39Å; Y65-F70 AromaticContact CG-CZ 3.96Å; Y65-F70 HydrophobicContact CG-CZ 3.96Å; Y65-V140 HydrophobicContact CE1-CG1 4.42Å; Y65-V140 HydrophobicContact CE2-CG1 4.08Å; Y65-V140 WeakPolarHBondContact OH-CG1 3.31Å; Y65-T144 HydrophobicContact CE2-CG2 3.85Å; Y65-T144 VanDerWaalsContact CE2-OG1 3.26Å; Y65-T144 WeakPolarHBondContact CE2-OG1 3.43Å; Y65-T144 PolarHBondContact OH-OG1 2.94Å |
| 66 | S | 86.8 | Confident | 73.9 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | trans | -88.1 | 138.3 | -179.7 | 166.9 | 0 | 0 | 0 | 0 | 110.8 | S16 D19 K68 Q69 | S16-S66 WeakPolarHBondContact OG-CA 3.49Å; D19-S66 WeakPolarHBondContact CB-OG 3.45Å; D19-S66 WeakPolarHBondContact OD2-CB 3.49Å; D19-S66 PolarHBondContact OD2-OG 3.29Å; S66-K68 PolarHBondContact O-N 3.28Å; S66-K68 PolarHBondContact OG-N 3.25Å; S66-K68 VanDerWaalsContact OG-N 3.08Å; S66-Q69 CarbonylContact O-C 3.54Å; S66-Q69 PolarHBondContact O-N 2.94Å; S66-Q69 PolarHBondContact OG-N 3.38Å | ||
| 67 | L | 83.3 | Confident | 71.4 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -63 | -22.5 | 171.1 | -76.1 | 156.3 | 0 | 0 | 0 | 112.7 | S16 E26 L29 R30 Y62 | S16-L67 PolarHBondContact OG-N 3.24Å; E26-L67 HydrophobicContact CB-CD1 4.28Å; E26-L67 HydrophobicContact CG-CD1 3.75Å; L29-L67 HydrophobicContact CB-CD1 3.84Å; L29-L67 HydrophobicContact CB-CD2 4.34Å; L29-L67 HydrophobicContact CD1-CB 4.08Å; L29-L67 HydrophobicContact CD1-CD1 4.18Å; R30-L67 HydrophobicContact CG-CD1 4.27Å; Y62-L67 HydrophobicContact CD1-CB 4.44Å; Y62-L67 HydrophobicContact CD1-CD2 3.64Å; Y62-L67 HydrophobicContact CD1-CG 3.56Å; Y62-L67 HydrophobicContact CD2-CD2 3.99Å; Y62-L67 HydrophobicContact CE1-CB 4.34Å; Y62-L67 HydrophobicContact CE1-CD2 3.41Å; Y62-L67 VanDerWaalsContact CE1-CD2 3.41Å; Y62-L67 HydrophobicContact CE1-CG 3.72Å; Y62-L67 HydrophobicContact CE2-CD2 3.77Å; Y62-L67 HydrophobicContact CG-CD2 3.93Å; Y62-L67 HydrophobicContact CG-CG 4.02Å; Y62-L67 VanDerWaalsContact CZ-CD2 3.46Å |
| 68 | K | 73.6 | Confident | 68.7 | Low | 91 Ų | 91 | 71.1 Ų | 71.1 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -88.6 | -25.9 | 178.9 | -172.6 | 175.3 | 173.4 | -175.5 | 0 | 112.7 | D19 V21 S66 | D19-K68 HydrophobicContact CB-CB 4.46Å; D19-K68 HydrophobicContact CB-CD 4.32Å; D19-K68 PolarHBondContact O-NZ 3.46Å; V21-K68 HydrophobicContact CG2-CB 3.83Å; V21-K68 HydrophobicContact CG2-CD 4.08Å; S66-K68 PolarHBondContact O-N 3.28Å; S66-K68 PolarHBondContact OG-N 3.25Å; S66-K68 VanDerWaalsContact OG-N 3.08Å |
| 69 | Q | 60.4 | Low | 66.2 | Low | 101 Ų | 101 | 80.9 Ų | 80.9 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | trans | -118.6 | 88.4 | -179.5 | -74.4 | 172.7 | 21.6 | 0 | 0 | 110.5 | D19 S66 | D19-Q69 VanDerWaalsContact CG-CD 3.49Å; D19-Q69 PolarHBondContact OD1-NE2 2.8Å; D19-Q69 WeakPolarHBondContact OD2-CB 3.42Å; D19-Q69 WeakPolarHBondContact OD2-CG 2.89Å; D19-Q69 PolarHBondContact OD2-NE2 3.02Å; D19-Q69 VanDerWaalsContact OD2-NE2 3.09Å; D19-Q69 PolarHBondContact OD2-OE1 3.05Å; S66-Q69 CarbonylContact O-C 3.54Å; S66-Q69 PolarHBondContact O-N 2.94Å; S66-Q69 PolarHBondContact OG-N 3.38Å | ||
| 70 | F | 49.9 | Very low | 64 | Low | 51 Ų | 51 | 84.1 Ų | 84.1 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -125.3 | 112.1 | 142.4 | -113.3 | -88.4 | 0 | 0 | 0 | 107.6 | F61 Y65 S88 L137 V140 | F61-F70 HydrophobicContact CE1-CD2 4.02Å; F61-F70 AromaticContact CE1-CE2 3.41Å; F61-F70 HydrophobicContact CE1-CE2 3.41Å; F61-F70 VanDerWaalsContact CE1-CE2 3.41Å; F61-F70 AromaticContact CE1-CZ 4Å; F61-F70 HydrophobicContact CE1-CZ 4Å; F61-F70 HydrophobicContact CE2-CE2 4.42Å; F61-F70 HydrophobicContact CE2-CZ 4.3Å; F61-F70 HydrophobicContact CZ-CD2 4.2Å; F61-F70 HydrophobicContact CZ-CE1 4.27Å; F61-F70 AromaticContact CZ-CE2 3.24Å; F61-F70 HydrophobicContact CZ-CE2 3.24Å; F61-F70 AromaticContact CZ-CZ 3.33Å; F61-F70 HydrophobicContact CZ-CZ 3.33Å; Y65-F70 VanDerWaalsContact CB-CE2 3.45Å; Y65-F70 AromaticContact CD1-CE2 3.54Å; Y65-F70 HydrophobicContact CD1-CE2 3.54Å; Y65-F70 AromaticContact CD1-CZ 3.8Å; Y65-F70 HydrophobicContact CD1-CZ 3.8Å; Y65-F70 AromaticContact CD2-CE2 3.99Å; Y65-F70 HydrophobicContact CD2-CE2 3.99Å; Y65-F70 HydrophobicContact CD2-CZ 4.34Å; Y65-F70 HydrophobicContact CE1-CE2 4.28Å; Y65-F70 HydrophobicContact CE1-CZ 4.08Å; Y65-F70 HydrophobicContact CG-CD2 4.44Å; Y65-F70 AromaticContact CG-CE2 3.39Å; Y65-F70 HydrophobicContact CG-CE2 3.39Å; Y65-F70 AromaticContact CG-CZ 3.96Å; Y65-F70 HydrophobicContact CG-CZ 3.96Å; F70-S88 PolarHBondContact O-OG 3.38Å; F70-L137 HydrophobicContact CD1-CD1 4.04Å; F70-L137 HydrophobicContact CE1-CD1 3.37Å; F70-L137 HydrophobicContact CZ-CD1 3.74Å; F70-V140 HydrophobicContact CZ-CG1 4.43Å |
| 71 | D | 42.7 | Very low | 61.9 | Low | 74 Ų | 74 | 86.5 Ų | 86.5 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | trans | 88.9 | 85.6 | 175.4 | -139.1 | -27.4 | 0 | 0 | 0 | 118.2 | K73 V74 | D71-K73 PolarHBondContact O-N 3.4Å; D71-K73 WeakPolarHBondContact OD1-CA 3.34Å; D71-K73 VanDerWaalsContact OD1-CB 3.28Å; D71-K73 WeakPolarHBondContact OD1-CB 3.44Å; D71-K73 PolarHBondContact OD1-N 3.21Å; D71-V74 HydrophobicContact CB-CB 4.19Å; D71-V74 HydrophobicContact CB-CG2 3.81Å; D71-V74 VanDerWaalsContact CG-CG2 3.48Å; D71-V74 PolarHBondContact O-N 3.39Å; D71-V74 WeakPolarHBondContact OD2-CG2 3.25Å | ||
| 72 | M | 40.6 | Very low | 59.8 | Low | 167 Ų | 167 | 94.6 Ų | 94.6 | 82% | 0.823 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -14.6 | 165.8 | -100.4 | -160.1 | 178 | 0 | 0 | 113.5 | ||
| 73 | K | 43.3 | Very low | 57.7 | Low | 180 Ų | 180 | 98.6 Ų | 98.6 | 78% | 0.783 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -25.7 | 176.8 | -95.7 | 177.1 | 173.3 | 178.6 | 0 | 113.6 | D71 | D71-K73 PolarHBondContact O-N 3.4Å; D71-K73 WeakPolarHBondContact OD1-CA 3.34Å; D71-K73 VanDerWaalsContact OD1-CB 3.28Å; D71-K73 WeakPolarHBondContact OD1-CB 3.44Å; D71-K73 PolarHBondContact OD1-N 3.21Å |
| 74 | V | 42.9 | Very low | 55.5 | Low | 13 Ų | 13 | 98.7 Ų | 98.7 | 8% | 0.079 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -80.8 | -22.2 | -176.2 | 178 | 0 | 0 | 0 | 0 | 112.8 | D71 F76 L77 | D71-V74 HydrophobicContact CB-CB 4.19Å; D71-V74 HydrophobicContact CB-CG2 3.81Å; D71-V74 VanDerWaalsContact CG-CG2 3.48Å; D71-V74 PolarHBondContact O-N 3.39Å; D71-V74 WeakPolarHBondContact OD2-CG2 3.25Å; V74-F76 PolarHBondContact O-N 3.44Å; V74-F76 VanDerWaalsContact O-N 3.11Å; V74-L77 PolarHBondContact O-N 3.41Å; V74-L77 VanDerWaalsContact O-N 3.09Å |
| 75 | R | 41 | Very low | 53.6 | Low | 157 Ų | 157 | 95.6 Ų | 95.6 | 59% | 0.592 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -61.5 | -21.3 | 179 | -157.7 | 175.3 | -166.6 | 174.5 | 4 | 113.8 | ||
| 76 | F | 45.3 | Very low | 51.9 | Low | 199 Ų | 199 | 94.5 Ų | 94.5 | 87% | 0.873 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -76.7 | -18.5 | 177.6 | -108.8 | -83.4 | 0 | 0 | 0 | 114.1 | V74 | V74-F76 PolarHBondContact O-N 3.44Å; V74-F76 VanDerWaalsContact O-N 3.11Å |
| 77 | L | 43.4 | Very low | 50.4 | Low | 146 Ų | 146 | 95.3 Ų | 95.3 | 76% | 0.764 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -20.1 | -178.2 | -67.9 | 175.1 | 0 | 0 | 0 | 113.5 | V74 | V74-L77 PolarHBondContact O-N 3.41Å; V74-L77 VanDerWaalsContact O-N 3.09Å |
| 78 | F | 40.4 | Very low | 49.8 | Very low | 97 Ų | 97 | 95.6 Ų | 95.6 | 43% | 0.425 | 46% | 0.457 | S | S | . | . | trans | -116.2 | 107.5 | 177.7 | -83.3 | -82.6 | 0 | 0 | 0 | 111.1 | S80 L83 V84 | F78-S80 PolarHBondContact O-N 3.32Å; F78-S80 VanDerWaalsContact O-N 3.13Å; F78-L83 HydrophobicContact CD1-CD2 3.45Å; F78-L83 VanDerWaalsContact CD1-CD2 3.45Å; F78-L83 HydrophobicContact CD2-CD2 4.46Å; F78-L83 HydrophobicContact CE1-CD2 3.35Å; F78-L83 HydrophobicContact CE2-CD2 4.37Å; F78-L83 HydrophobicContact CG-CD2 4.03Å; F78-L83 HydrophobicContact CZ-CD2 3.82Å; F78-V84 HydrophobicContact CB-CG2 4.07Å | ||
| 79 | Q | 44.4 | Very low | 50.1 | Low | 206 Ų | 206 | 91.6 Ų | 91.6 | 96% | 0.963 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -67.5 | -9 | 179 | -158.3 | 164.8 | 7.2 | 0 | 0 | 113.1 | ||
| 80 | S | 48.8 | Very low | 51.3 | Low | 69 Ų | 69 | 87.8 Ų | 87.8 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | trans | -105.5 | 112.8 | 179.9 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | F78 Y82 L83 | F78-S80 PolarHBondContact O-N 3.32Å; F78-S80 VanDerWaalsContact O-N 3.13Å; S80-Y82 PolarHBondContact O-N 3.5Å; S80-Y82 VanDerWaalsContact O-N 3.13Å; S80-L83 PolarHBondContact O-N 3.16Å | ||
| 81 | S | 50.4 | Low | 53.1 | Low | 72 Ų | 72 | 85.9 Ų | 85.9 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -22.2 | -179.1 | -163.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 82 | Y | 50.9 | Low | 55.5 | Low | 170 Ų | 170 | 82.4 Ų | 82.4 | 67% | 0.667 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -75.9 | -40.6 | -177.7 | -166.1 | -106.3 | 0 | 0 | 0 | 112.1 | S80 V84 V85 H86 | S80-Y82 PolarHBondContact O-N 3.5Å; S80-Y82 VanDerWaalsContact O-N 3.13Å; Y82-V84 PolarHBondContact O-N 3.42Å; Y82-V85 PolarHBondContact O-N 2.79Å; Y82-H86 AromaticContact CD1-CD2 3.65Å; Y82-H86 AromaticContact CD1-NE2 3.85Å; Y82-H86 AromaticContact CE1-CD2 3.38Å; Y82-H86 WeakPolarHBondContact CE1-CD2 3.49Å; Y82-H86 AromaticContact CE1-NE2 3.07Å; Y82-H86 WeakPolarHBondContact CE1-NE2 3.47Å; Y82-H86 AromaticContact CZ-CD2 3.78Å; Y82-H86 AromaticContact CZ-NE2 3.16Å; Y82-H86 PolarHBondContact O-CD2 3.14Å; Y82-H86 PolarHBondContact O-N 3.26Å; Y82-H86 PolarHBondContact OH-NE2 3.48Å; Y82-H86 VanDerWaalsContact OH-NE2 3.14Å |
| 83 | L | 48.4 | Very low | 57.9 | Low | 85 Ų | 85 | 74.5 Ų | 74.5 | 45% | 0.445 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.5 | -28.4 | -177.2 | -155.4 | 115.8 | 0 | 0 | 0 | 112.4 | F78 S80 H86 L87 | F78-L83 HydrophobicContact CD1-CD2 3.45Å; F78-L83 VanDerWaalsContact CD1-CD2 3.45Å; F78-L83 HydrophobicContact CD2-CD2 4.46Å; F78-L83 HydrophobicContact CE1-CD2 3.35Å; F78-L83 HydrophobicContact CE2-CD2 4.37Å; F78-L83 HydrophobicContact CG-CD2 4.03Å; F78-L83 HydrophobicContact CZ-CD2 3.82Å; S80-L83 PolarHBondContact O-N 3.16Å; L83-H86 PolarHBondContact O-N 3.36Å; L83-L87 PolarHBondContact O-N 2.93Å; L83-L87 VanDerWaalsContact O-N 3.16Å |
| 84 | V | 46.5 | Very low | 60.3 | Low | 17 Ų | 17 | 65.9 Ų | 65.9 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.1 | -38.6 | -179.9 | -178 | 0 | 0 | 0 | 0 | 112 | F78 Y82 H86 S88 | F78-V84 HydrophobicContact CB-CG2 4.07Å; Y82-V84 PolarHBondContact O-N 3.42Å; V84-H86 VanDerWaalsContact C-N 3.34Å; V84-S88 PolarHBondContact O-N 3.5Å; V84-S88 PolarHBondContact O-OG 3.36Å; V84-S88 VanDerWaalsContact O-OG 3.06Å |
| 85 | V | 51.9 | Low | 62.8 | Low | 31 Ų | 31 | 65.3 Ų | 65.3 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66 | -41.8 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 110 | L29 Y82 L87 S88 F89 | L29-V85 HydrophobicContact CD1-CG1 4.39Å; L29-V85 HydrophobicContact CD2-CG1 3.92Å; Y82-V85 PolarHBondContact O-N 2.79Å; V85-L87 PolarHBondContact O-N 3.36Å; V85-S88 PolarHBondContact O-N 3.39Å; V85-F89 WeakPolarHBondContact O-CD1 3.46Å |
| 86 | H | 54.8 | Low | 65.4 | Low | 51 Ų | 51 | 57.8 Ų | 57.8 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 179.6 | -87.6 | -79.9 | 0 | 0 | 0 | 113.5 | Y82 L83 V84 S88 F89 Q90 | Y82-H86 AromaticContact CD1-CD2 3.65Å; Y82-H86 AromaticContact CD1-NE2 3.85Å; Y82-H86 AromaticContact CE1-CD2 3.38Å; Y82-H86 WeakPolarHBondContact CE1-CD2 3.49Å; Y82-H86 AromaticContact CE1-NE2 3.07Å; Y82-H86 WeakPolarHBondContact CE1-NE2 3.47Å; Y82-H86 AromaticContact CZ-CD2 3.78Å; Y82-H86 AromaticContact CZ-NE2 3.16Å; Y82-H86 PolarHBondContact O-CD2 3.14Å; Y82-H86 PolarHBondContact O-N 3.26Å; Y82-H86 PolarHBondContact OH-NE2 3.48Å; Y82-H86 VanDerWaalsContact OH-NE2 3.14Å; L83-H86 PolarHBondContact O-N 3.36Å; V84-H86 VanDerWaalsContact C-N 3.34Å; H86-S88 VanDerWaalsContact C-N 3.31Å; H86-S88 PolarHBondContact O-N 3.42Å; H86-F89 HydrophobicContact CB-CE1 4.36Å; H86-F89 AromaticContact ND1-CE1 3.62Å; H86-F89 AromaticContact ND1-CZ 3.8Å; H86-F89 WeakPolarHBondContact O-CE1 3.46Å; H86-Q90 VanDerWaalsContact O-CD 3.28Å; H86-Q90 WeakPolarHBondContact O-CG 3.46Å; H86-Q90 PolarHBondContact O-NE2 2.96Å; H86-Q90 VanDerWaalsContact O-NE2 3.14Å |
| 87 | L | 56 | Low | 67.9 | Low | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.2 | -32.1 | -178.3 | -170 | 57.7 | 0 | 0 | 0 | 112.9 | L83 V85 I91 W130 R133 | L83-L87 PolarHBondContact O-N 2.93Å; L83-L87 VanDerWaalsContact O-N 3.16Å; V85-L87 PolarHBondContact O-N 3.36Å; L87-I91 HydrophobicContact CD1-CD1 4.34Å; L87-I91 HydrophobicContact CG-CD1 4.14Å; L87-I91 WeakPolarHBondContact O-CG1 3.32Å; L87-I91 PolarHBondContact O-N 3.13Å; L87-W130 HydrophobicContact CD1-CD2 4.49Å; L87-W130 HydrophobicContact CD1-CH2 3.67Å; L87-W130 HydrophobicContact CD1-CZ2 3.03Å; L87-R133 VanDerWaalsContact CD2-NH1 3.25Å |
| 88 | S | 69.8 | Low | 70.4 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.2 | -47.5 | -171 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | F70 V84 V85 H86 Q90 T92 | F70-S88 PolarHBondContact O-OG 3.38Å; V84-S88 PolarHBondContact O-N 3.5Å; V84-S88 PolarHBondContact O-OG 3.36Å; V84-S88 VanDerWaalsContact O-OG 3.06Å; V85-S88 PolarHBondContact O-N 3.39Å; H86-S88 VanDerWaalsContact C-N 3.31Å; H86-S88 PolarHBondContact O-N 3.42Å; S88-Q90 VanDerWaalsContact C-N 3.32Å; S88-Q90 PolarHBondContact O-N 3.3Å; S88-T92 PolarHBondContact O-N 3.03Å; S88-T92 PolarHBondContact O-OG1 3.16Å; S88-T92 VanDerWaalsContact O-OG1 3.05Å |
| 89 | F | 80.7 | Confident | 73 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.7 | -27.8 | -178.8 | 75.6 | -103.8 | 0 | 0 | 0 | 112.8 | I32 Y36 F58 Y62 V85 H86 T92 A93 | I32-F89 HydrophobicContact CG2-CE1 4.2Å; I32-F89 HydrophobicContact CG2-CE2 4.03Å; I32-F89 HydrophobicContact CG2-CZ 3.64Å; Y36-F89 HydrophobicContact CD2-CE2 4.14Å; Y36-F89 HydrophobicContact CG-CE2 4.15Å; F58-F89 HydrophobicContact CE2-CB 4.22Å; F58-F89 HydrophobicContact CZ-CB 4.27Å; Y62-F89 WeakPolarHBondContact OH-CA 3.5Å; V85-F89 WeakPolarHBondContact O-CD1 3.46Å; H86-F89 HydrophobicContact CB-CE1 4.36Å; H86-F89 AromaticContact ND1-CE1 3.62Å; H86-F89 AromaticContact ND1-CZ 3.8Å; H86-F89 WeakPolarHBondContact O-CE1 3.46Å; F89-T92 PolarHBondContact O-N 3.35Å; F89-A93 VanDerWaalsContact O-CB 3.24Å; F89-A93 WeakPolarHBondContact O-CB 3.06Å; F89-A93 PolarHBondContact O-N 2.95Å |
| 90 | Q | 85.8 | Confident | 75.6 | Confident | 20 Ų | 20 | 28.1 Ų | 28.1 | 9% | 0.093 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 178.5 | -66.9 | 174.4 | 24.1 | 0 | 0 | 111 | Y36 H86 S88 T92 A93 V94 W130 | Y36-Q90 HydrophobicContact CD2-CG 4.07Å; Y36-Q90 HydrophobicContact CE1-CB 4.2Å; Y36-Q90 HydrophobicContact CE1-CG 4.33Å; Y36-Q90 HydrophobicContact CE2-CB 4.22Å; Y36-Q90 HydrophobicContact CE2-CG 3.62Å; H86-Q90 VanDerWaalsContact O-CD 3.28Å; H86-Q90 WeakPolarHBondContact O-CG 3.46Å; H86-Q90 PolarHBondContact O-NE2 2.96Å; H86-Q90 VanDerWaalsContact O-NE2 3.14Å; S88-Q90 VanDerWaalsContact C-N 3.32Å; S88-Q90 PolarHBondContact O-N 3.3Å; Q90-T92 PolarHBondContact O-N 3.35Å; Q90-A93 PolarHBondContact O-N 3.34Å; Q90-V94 WeakPolarHBondContact O-CG2 3.44Å; Q90-V94 PolarHBondContact O-N 2.97Å; Q90-W130 HydrophobicContact CB-CH2 4.06Å; Q90-W130 HydrophobicContact CB-CZ3 4.29Å |
| 91 | I | 88 | Confident | 77.9 | Confident | 12 Ų | 12 | 24.9 Ų | 24.9 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 175.1 | -61.8 | 171.1 | 0 | 0 | 0 | 109.9 | L87 A93 V94 T95 W130 R133 V134 L137 | L87-I91 HydrophobicContact CD1-CD1 4.34Å; L87-I91 HydrophobicContact CG-CD1 4.14Å; L87-I91 WeakPolarHBondContact O-CG1 3.32Å; L87-I91 PolarHBondContact O-N 3.13Å; I91-A93 PolarHBondContact O-N 3.16Å; I91-V94 PolarHBondContact O-N 3.26Å; I91-T95 WeakPolarHBondContact O-CB 3.4Å; I91-T95 PolarHBondContact O-N 3.08Å; I91-T95 PolarHBondContact O-OG1 3.42Å; I91-W130 HydrophobicContact CG1-CE3 4.03Å; I91-W130 HydrophobicContact CG1-CZ3 4.05Å; I91-R133 HydrophobicContact CD1-CB 4.05Å; I91-R133 HydrophobicContact CG2-CB 4.25Å; I91-V134 HydrophobicContact CG2-CG2 3.83Å; I91-L137 HydrophobicContact CB-CD2 4.38Å; I91-L137 HydrophobicContact CG2-CB 4.41Å; I91-L137 HydrophobicContact CG2-CD2 3.67Å |
| 92 | T | 91.7 | Very high | 80 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 175 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | F58 F61 Y62 S88 F89 Q90 T95 C96 | F58-T92 HydrophobicContact CD2-CG2 3.91Å; F58-T92 HydrophobicContact CE2-CG2 4.27Å; F61-T92 HydrophobicContact CB-CG2 4.41Å; F61-T92 HydrophobicContact CD1-CG2 3.47Å; F61-T92 VanDerWaalsContact CD1-CG2 3.47Å; F61-T92 HydrophobicContact CE1-CG2 3.8Å; F61-T92 HydrophobicContact CG-CG2 3.99Å; Y62-T92 HydrophobicContact CE2-CG2 3.84Å; Y62-T92 PolarHBondContact OH-OG1 3Å; S88-T92 PolarHBondContact O-N 3.03Å; S88-T92 PolarHBondContact O-OG1 3.16Å; S88-T92 VanDerWaalsContact O-OG1 3.05Å; F89-T92 PolarHBondContact O-N 3.35Å; Q90-T92 PolarHBondContact O-N 3.35Å; T92-T95 WeakPolarHBondContact O-CB 3.4Å; T92-T95 PolarHBondContact O-N 2.67Å; T92-C96 WeakPolarHBondContact O-CB 3.37Å; T92-C96 PolarHBondContact O-N 3.14Å; T92-C96 PolarHBondContact O-SG 3.32Å |
| 93 | A | 92.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y36 I37 F58 F89 Q90 I91 T95 C96 I97 | Y36-A93 HydrophobicContact CD1-CB 3.42Å; Y36-A93 VanDerWaalsContact CD1-CB 3.42Å; Y36-A93 HydrophobicContact CE1-CB 3.66Å; I37-A93 HydrophobicContact CD1-CB 4.08Å; I37-A93 HydrophobicContact CG1-CB 3.5Å; F58-A93 HydrophobicContact CD2-CB 4.43Å; F58-A93 HydrophobicContact CE2-CB 4.43Å; F89-A93 VanDerWaalsContact O-CB 3.24Å; F89-A93 WeakPolarHBondContact O-CB 3.06Å; F89-A93 PolarHBondContact O-N 2.95Å; Q90-A93 PolarHBondContact O-N 3.34Å; I91-A93 PolarHBondContact O-N 3.16Å; A93-T95 VanDerWaalsContact C-N 3.27Å; A93-T95 PolarHBondContact O-N 3.44Å; A93-C96 PolarHBondContact O-N 3.09Å; A93-I97 VanDerWaalsContact O-CG1 3.32Å; A93-I97 WeakPolarHBondContact O-CG1 3.48Å; A93-I97 PolarHBondContact O-N 3.29Å |
| 94 | V | 93.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 111 | Y36 I40 Q90 I91 I97 M98 L110 I113 L114 V134 | Y36-V94 HydrophobicContact CE1-CG2 4.31Å; I40-V94 HydrophobicContact CD1-CG2 4.31Å; Q90-V94 WeakPolarHBondContact O-CG2 3.44Å; Q90-V94 PolarHBondContact O-N 2.97Å; I91-V94 PolarHBondContact O-N 3.26Å; V94-I97 PolarHBondContact O-N 3.05Å; V94-M98 PolarHBondContact O-N 3.06Å; V94-L110 HydrophobicContact CG1-CD1 3.69Å; V94-I113 HydrophobicContact CB-CG2 4.45Å; V94-I113 HydrophobicContact CG1-CB 4.5Å; V94-I113 HydrophobicContact CG1-CG2 3.88Å; V94-I113 HydrophobicContact CG2-CG2 4.2Å; V94-L114 HydrophobicContact CG1-CD2 4.13Å; V94-L114 HydrophobicContact CG2-CD2 4.4Å; V94-V134 HydrophobicContact CG1-CG1 4.3Å; V94-V134 HydrophobicContact CG1-CG2 4.06Å |
| 95 | T | 94.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 177.5 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | I91 T92 A93 I97 M98 V99 L137 E138 L141 | I91-T95 WeakPolarHBondContact O-CB 3.4Å; I91-T95 PolarHBondContact O-N 3.08Å; I91-T95 PolarHBondContact O-OG1 3.42Å; T92-T95 WeakPolarHBondContact O-CB 3.4Å; T92-T95 PolarHBondContact O-N 2.67Å; A93-T95 VanDerWaalsContact C-N 3.27Å; A93-T95 PolarHBondContact O-N 3.44Å; T95-I97 PolarHBondContact O-N 2.95Å; T95-M98 WeakPolarHBondContact O-CB 3.38Å; T95-M98 PolarHBondContact O-N 2.67Å; T95-V99 WeakPolarHBondContact O-CG2 3.25Å; T95-V99 PolarHBondContact O-N 3.29Å; T95-L137 HydrophobicContact CG2-CB 4.23Å; T95-L137 HydrophobicContact CG2-CG 4.26Å; T95-E138 VanDerWaalsContact CG2-CA 3.45Å; T95-E138 HydrophobicContact CG2-CB 3.95Å; T95-L141 HydrophobicContact CG2-CB 4.37Å; T95-L141 HydrophobicContact CG2-CD2 3.87Å |
| 96 | C | 96.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 175.7 | -69 | 0 | 0 | 0 | 0 | 111.9 | A54 L57 T92 A93 V99 A100 | A54-C96 HydrophobicContact CB-CB 4.24Å; A54-C96 WeakPolarHBondContact O-CB 3.42Å; L57-C96 HydrophobicContact CB-CB 4.39Å; T92-C96 WeakPolarHBondContact O-CB 3.37Å; T92-C96 PolarHBondContact O-N 3.14Å; T92-C96 PolarHBondContact O-SG 3.32Å; A93-C96 PolarHBondContact O-N 3.09Å; C96-V99 PolarHBondContact O-N 3.13Å; C96-A100 VanDerWaalsContact O-CB 3.23Å; C96-A100 WeakPolarHBondContact O-CB 3.49Å; C96-A100 PolarHBondContact O-N 3.48Å |
| 97 | I | 96.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 173.9 | -69.2 | 170.1 | 0 | 0 | 0 | 110.5 | I37 I40 L46 M50 A54 A93 V94 T95 G101 I113 | I37-I97 HydrophobicContact CG2-CD1 4.2Å; I37-I97 HydrophobicContact CG2-CG1 4.02Å; I40-I97 HydrophobicContact CB-CD1 4.01Å; I40-I97 HydrophobicContact CD1-CD1 4.27Å; I40-I97 HydrophobicContact CG2-CD1 3.81Å; L46-I97 HydrophobicContact CD1-CG2 3.83Å; M50-I97 HydrophobicContact CE-CG2 3.59Å; M50-I97 WeakPolarHBondContact CE-O 3.28Å; A54-I97 HydrophobicContact CB-CG1 4.07Å; A93-I97 VanDerWaalsContact O-CG1 3.32Å; A93-I97 WeakPolarHBondContact O-CG1 3.48Å; A93-I97 PolarHBondContact O-N 3.29Å; V94-I97 PolarHBondContact O-N 3.05Å; T95-I97 PolarHBondContact O-N 2.95Å; I97-G101 PolarHBondContact O-N 2.97Å; I97-I113 HydrophobicContact CG2-CD1 3.94Å; I97-I113 HydrophobicContact CG2-CG1 4.47Å; I97-I113 HydrophobicContact CG2-CG2 4.32Å |
| 98 | M | 95.7 | Very high | 92.2 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 9% | 0.094 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 177.6 | -79 | -174.7 | 61.4 | 0 | 0 | 112.7 | V94 T95 G101 K102 L110 I113 V134 | V94-M98 PolarHBondContact O-N 3.06Å; T95-M98 WeakPolarHBondContact O-CB 3.38Å; T95-M98 PolarHBondContact O-N 2.67Å; M98-G101 PolarHBondContact O-N 2.82Å; M98-K102 WeakPolarHBondContact O-CG 3.38Å; M98-K102 PolarHBondContact O-N 2.97Å; M98-K102 VanDerWaalsContact O-N 3.08Å; M98-L110 HydrophobicContact CE-CB 4.14Å; M98-L110 HydrophobicContact SD-CB 3.73Å; M98-L110 HydrophobicContact SD-CD1 3.55Å; M98-L110 VanDerWaalsContact SD-CD1 3.55Å; M98-L110 HydrophobicContact SD-CD2 4.02Å; M98-L110 HydrophobicContact SD-CG 3.95Å; M98-I113 HydrophobicContact CG-CD1 3.57Å; M98-V134 HydrophobicContact SD-CG1 3.62Å |
| 99 | V | 96.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -43.9 | -179.1 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L57 T95 C96 G101 K102 A103 E138 L141 L142 V149 | L57-V99 HydrophobicContact CD1-CB 4.38Å; L57-V99 HydrophobicContact CD1-CG1 3.93Å; T95-V99 WeakPolarHBondContact O-CG2 3.25Å; T95-V99 PolarHBondContact O-N 3.29Å; C96-V99 PolarHBondContact O-N 3.13Å; V99-G101 PolarHBondContact O-N 3.28Å; V99-K102 PolarHBondContact O-N 2.94Å; V99-A103 PolarHBondContact O-N 3.49Å; V99-E138 HydrophobicContact CG2-CG 4.09Å; V99-L141 HydrophobicContact CB-CD2 4.18Å; V99-L141 HydrophobicContact CG2-CD2 3.85Å; V99-L142 HydrophobicContact CG1-CD2 4Å; V99-L142 HydrophobicContact CG2-CD2 4.42Å; V99-V149 HydrophobicContact CG1-CB 4.45Å; V99-V149 HydrophobicContact CG1-CG1 3.75Å |
| 100 | A | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M50 A54 L57 C96 K102 A103 E104 | M50-A100 HydrophobicContact CG-CB 4.2Å; A54-A100 HydrophobicContact CB-CB 3.84Å; L57-A100 HydrophobicContact CD1-CB 4.4Å; C96-A100 VanDerWaalsContact O-CB 3.23Å; C96-A100 WeakPolarHBondContact O-CB 3.49Å; C96-A100 PolarHBondContact O-N 3.48Å; A100-K102 VanDerWaalsContact C-N 3.26Å; A100-K102 PolarHBondContact O-N 3.4Å; A100-A103 PolarHBondContact O-N 3.07Å; A100-A103 VanDerWaalsContact O-N 3.1Å; A100-E104 WeakPolarHBondContact O-CB 3.49Å; A100-E104 VanDerWaalsContact O-CG 3.3Å; A100-E104 WeakPolarHBondContact O-CG 3.32Å; A100-E104 PolarHBondContact O-N 3.07Å |
| 101 | G | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -33.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | M50 I97 M98 V99 T106 P107 | M50-G101 VanDerWaalsContact CE-CA 3.47Å; I97-G101 PolarHBondContact O-N 2.97Å; M98-G101 PolarHBondContact O-N 2.82Å; V99-G101 PolarHBondContact O-N 3.28Å; G101-T106 CarbonylContact O-C 3.3Å; G101-T106 PolarHBondContact O-N 3.49Å; G101-P107 WeakPolarHBondContact O-CA 3.35Å |
| 102 | K | 95.6 | Very high | 94.3 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 44% | 0.443 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.8 | -42 | 172.5 | -70.7 | 174.6 | -178.4 | 179.5 | 0 | 111.4 | M98 V99 A100 E105 E138 | M98-K102 WeakPolarHBondContact O-CG 3.38Å; M98-K102 PolarHBondContact O-N 2.97Å; M98-K102 VanDerWaalsContact O-N 3.08Å; V99-K102 PolarHBondContact O-N 2.94Å; A100-K102 VanDerWaalsContact C-N 3.26Å; A100-K102 PolarHBondContact O-N 3.4Å; K102-E105 PolarHBondContact O-N 3.49Å; K102-E138 IonicContact NZ-OE1 2.63Å; K102-E138 PolarHBondContact NZ-OE1 3.39Å; K102-E138 IonicContact NZ-OE2 3.32Å; K102-E138 PolarHBondContact NZ-OE2 3.39Å |
| 103 | A | 95.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.6 | -35.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | V99 A100 E105 V149 | V99-A103 PolarHBondContact O-N 3.49Å; A100-A103 PolarHBondContact O-N 3.07Å; A100-A103 VanDerWaalsContact O-N 3.1Å; A103-E105 VanDerWaalsContact C-N 3.26Å; A103-E105 PolarHBondContact O-N 3.28Å; A103-V149 HydrophobicContact CB-CB 3.89Å; A103-V149 HydrophobicContact CB-CG2 3.76Å |
| 104 | E | 93.2 | Very high | 94.2 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 30% | 0.304 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 14.2 | 179 | -59.2 | -66.8 | 172.3 | 0 | 0 | 112.7 | M50 S53 A100 T106 | M50-E104 HydrophobicContact CB-CB 4.49Å; M50-E104 HydrophobicContact CB-CG 4.29Å; S53-E104 PolarHBondContact OG-OE1 3.11Å; A100-E104 WeakPolarHBondContact O-CB 3.49Å; A100-E104 VanDerWaalsContact O-CG 3.3Å; A100-E104 WeakPolarHBondContact O-CG 3.32Å; A100-E104 PolarHBondContact O-N 3.07Å; E104-T106 PolarHBondContact O-N 3.23Å; E104-T106 PolarHBondContact O-OG1 2.92Å |
| 105 | E | 94.3 | Very high | 93.8 | Very high | 164 Ų | 164 | 51.8 Ų | 51.8 | 77% | 0.766 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 27.6 | 179.6 | -58.8 | -61.2 | 144.6 | 0 | 0 | 114.4 | K102 A103 | K102-E105 PolarHBondContact O-N 3.49Å; A103-E105 VanDerWaalsContact C-N 3.26Å; A103-E105 PolarHBondContact O-N 3.28Å |
| 106 | T | 93.9 | Very high | 93.6 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 26% | 0.258 | 24% | 0.244 | S | C | . | . | trans | -126.5 | 47.4 | 179.2 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | P47 G101 E104 K108 | P47-T106 HydrophobicContact CG-CG2 4.09Å; G101-T106 CarbonylContact O-C 3.3Å; G101-T106 PolarHBondContact O-N 3.49Å; E104-T106 PolarHBondContact O-N 3.23Å; E104-T106 PolarHBondContact O-OG1 2.92Å; T106-K108 PolarHBondContact O-NZ 3.31Å | ||
| 107 | P | 94.6 | Very high | 93 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 53% | 0.532 | 24% | 0.244 | S | C | . | . | trans | -60.3 | 145.1 | -169.1 | 26.8 | -36.4 | 0 | 0 | 0 | 112.3 | G101 | G101-P107 WeakPolarHBondContact O-CA 3.35Š| ||
| 108 | K | 94.2 | Very high | 92.4 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | trans | -120.8 | 145.9 | 175.2 | -62.6 | -67.2 | 176.4 | -72.4 | 0 | 109.6 | M44 L46 M50 T106 I113 | M44-K108 HydrophobicContact CE-CB 4.36Å; M44-K108 HydrophobicContact CE-CD 4.41Å; M44-K108 HydrophobicContact CE-CG 4.39Å; L46-K108 HydrophobicContact CD2-CD 4.03Å; L46-K108 HydrophobicContact CD2-CG 3.7Å; M50-K108 HydrophobicContact CE-CG 4.42Å; T106-K108 PolarHBondContact O-NZ 3.31Å; K108-I113 HydrophobicContact CB-CD1 3.99Å; K108-I113 HydrophobicContact CB-CG1 3.99Å | ||
| 109 | K | 92.8 | Very high | 91.6 | Very high | 120 Ų | 120 | 58.2 Ų | 58.2 | 52% | 0.522 | 27% | 0.274 | S | S | . | . | trans | -72.1 | 133 | 178.8 | -59.3 | 177.7 | 179.1 | 172.5 | 0 | 108.5 | R111 D112 I113 | K109-R111 HydrophobicContact CB-CG 4.12Å; K109-R111 VanDerWaalsContact CD-CZ 3.47Å; K109-R111 VanDerWaalsContact NZ-NH2 3.2Å; K109-R111 PolarHBondContact O-N 3.47Å; K109-R111 VanDerWaalsContact O-N 3.15Å; K109-D112 WeakPolarHBondContact CB-OD2 3.3Å; K109-D112 WeakPolarHBondContact O-CB 3.39Å; K109-D112 PolarHBondContact O-N 3.33Å; K109-I113 PolarHBondContact O-N 3.45Å | ||
| 110 | L | 92.2 | Very high | 90.4 | Very high | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.5 | -42.3 | 179.3 | 173.4 | 51.5 | 0 | 0 | 0 | 112.7 | V94 M98 D112 I113 L114 K131 V134 V135 | V94-L110 HydrophobicContact CG1-CD1 3.69Å; M98-L110 HydrophobicContact CE-CB 4.14Å; M98-L110 HydrophobicContact SD-CB 3.73Å; M98-L110 HydrophobicContact SD-CD1 3.55Å; M98-L110 VanDerWaalsContact SD-CD1 3.55Å; M98-L110 HydrophobicContact SD-CD2 4.02Å; M98-L110 HydrophobicContact SD-CG 3.95Å; L110-D112 PolarHBondContact O-N 3.36Å; L110-I113 PolarHBondContact O-N 3.06Å; L110-L114 HydrophobicContact CD1-CD1 3.6Å; L110-L114 HydrophobicContact CD1-CD2 4.31Å; L110-L114 HydrophobicContact CD1-CG 3.64Å; L110-L114 HydrophobicContact CG-CD1 3.8Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 3.15Å; L110-K131 HydrophobicContact CD2-CB 4.37Å; L110-K131 HydrophobicContact CD2-CG 3.9Å; L110-V134 HydrophobicContact CD1-CB 4.22Å; L110-V134 HydrophobicContact CD1-CG1 3.75Å; L110-V134 HydrophobicContact CD1-CG2 4.28Å; L110-V134 HydrophobicContact CD2-CB 4.12Å; L110-V134 HydrophobicContact CD2-CG1 3.92Å; L110-V135 HydrophobicContact CD2-CG2 4.39Å |
| 111 | R | 90.5 | Very high | 88.8 | Confident | 134 Ų | 134 | 63.3 Ų | 63.3 | 51% | 0.506 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.5 | -36.3 | 176.8 | 77.4 | -168.3 | -177.9 | -168.2 | 8.3 | 113.3 | K109 R115 Y126 | K109-R111 HydrophobicContact CB-CG 4.12Å; K109-R111 VanDerWaalsContact CD-CZ 3.47Å; K109-R111 VanDerWaalsContact NZ-NH2 3.2Å; K109-R111 PolarHBondContact O-N 3.47Å; K109-R111 VanDerWaalsContact O-N 3.15Å; R111-R115 WeakPolarHBondContact O-CB 3.38Å; R111-R115 PolarHBondContact O-N 3.46Å; R111-Y126 HydrophobicContact CB-CE2 4.03Å |
| 112 | D | 91.8 | Very high | 87.1 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 36% | 0.358 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -77.4 | -36.3 | -176.8 | -56.5 | -22.9 | 0 | 0 | 0 | 109.4 | M44 K109 L110 C116 | M44-D112 HydrophobicContact CE-CB 4Å; K109-D112 WeakPolarHBondContact CB-OD2 3.3Å; K109-D112 WeakPolarHBondContact O-CB 3.39Å; K109-D112 PolarHBondContact O-N 3.33Å; L110-D112 PolarHBondContact O-N 3.36Å; D112-C116 WeakPolarHBondContact O-CB 3.4Å; D112-C116 PolarHBondContact O-N 3.38Å |
| 113 | I | 92.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 174.4 | -54.6 | 168.6 | 0 | 0 | 0 | 111 | I40 M44 V94 I97 M98 K108 K109 L110 C116 S117 | I40-I113 HydrophobicContact CG2-CG2 3.99Å; M44-I113 HydrophobicContact CE-CG1 4.05Å; M44-I113 HydrophobicContact SD-CB 4.23Å; M44-I113 HydrophobicContact SD-CG1 3.97Å; M44-I113 HydrophobicContact SD-CG2 4.46Å; V94-I113 HydrophobicContact CB-CG2 4.45Å; V94-I113 HydrophobicContact CG1-CB 4.5Å; V94-I113 HydrophobicContact CG1-CG2 3.88Å; V94-I113 HydrophobicContact CG2-CG2 4.2Å; I97-I113 HydrophobicContact CG2-CD1 3.94Å; I97-I113 HydrophobicContact CG2-CG1 4.47Å; I97-I113 HydrophobicContact CG2-CG2 4.32Å; M98-I113 HydrophobicContact CG-CD1 3.57Å; K108-I113 HydrophobicContact CB-CD1 3.99Å; K108-I113 HydrophobicContact CB-CG1 3.99Å; K109-I113 PolarHBondContact O-N 3.45Å; L110-I113 PolarHBondContact O-N 3.06Å; I113-C116 WeakPolarHBondContact O-CB 3.29Å; I113-C116 PolarHBondContact O-N 2.99Å; I113-S117 PolarHBondContact O-N 3.15Å |
| 114 | L | 89.2 | Confident | 83.8 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | 179.1 | -73.3 | 172.1 | 0 | 0 | 0 | 111.9 | V94 L110 C116 S117 E118 Y126 W130 | V94-L114 HydrophobicContact CG1-CD2 4.13Å; V94-L114 HydrophobicContact CG2-CD2 4.4Å; L110-L114 HydrophobicContact CD1-CD1 3.6Å; L110-L114 HydrophobicContact CD1-CD2 4.31Å; L110-L114 HydrophobicContact CD1-CG 3.64Å; L110-L114 HydrophobicContact CG-CD1 3.8Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 3.15Å; L114-C116 VanDerWaalsContact C-N 3.26Å; L114-C116 PolarHBondContact O-N 2.87Å; L114-S117 WeakPolarHBondContact O-CA 3.07Å; L114-S117 VanDerWaalsContact O-CB 3.28Å; L114-S117 WeakPolarHBondContact O-CB 3.48Å; L114-S117 PolarHBondContact O-N 2.68Å; L114-E118 PolarHBondContact O-N 3.01Å; L114-Y126 HydrophobicContact CB-CD2 3.81Å; L114-Y126 HydrophobicContact CB-CE2 4.45Å; L114-Y126 HydrophobicContact CD1-CD2 3.57Å; L114-Y126 HydrophobicContact CD1-CE2 3.65Å; L114-Y126 HydrophobicContact CG-CD2 4.35Å; L114-W130 HydrophobicContact CD2-CE3 3.75Å; L114-W130 HydrophobicContact CD2-CZ3 4.29Å |
| 115 | R | 86.8 | Confident | 82 | Confident | 173 Ų | 173 | 65.8 Ų | 65.8 | 65% | 0.653 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.6 | -42.7 | 173.6 | -174 | 178.4 | -178.8 | 177.8 | 2.8 | 111.6 | R111 S117 E118 D119 | R111-R115 WeakPolarHBondContact O-CB 3.38Å; R111-R115 PolarHBondContact O-N 3.46Å; R115-S117 PolarHBondContact O-N 2.94Å; R115-E118 PolarHBondContact O-N 3.46Å; R115-D119 VanDerWaalsContact O-CG 3.24Å; R115-D119 PolarHBondContact O-N 2.8Å; R115-D119 VanDerWaalsContact O-N 3.07Å |
| 116 | C | 88.2 | Confident | 80.6 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | I40 K43 M44 D112 I113 L114 D119 C120 | I40-C116 HydrophobicContact CG2-CB 4.5Å; K43-C116 VanDerWaalsContact CD-SG 3.58Å; M44-C116 HydrophobicContact CG-CB 3.68Å; M44-C116 WeakPolarHBondContact CG-SG 3.27Å; M44-C116 HydrophobicContact SD-CB 3.83Å; D112-C116 WeakPolarHBondContact O-CB 3.4Å; D112-C116 PolarHBondContact O-N 3.38Å; I113-C116 WeakPolarHBondContact O-CB 3.29Å; I113-C116 PolarHBondContact O-N 2.99Å; L114-C116 VanDerWaalsContact C-N 3.26Å; L114-C116 PolarHBondContact O-N 2.87Å; C116-D119 PolarHBondContact O-N 3.47Å; C116-C120 VanDerWaalsContact O-CB 3.28Å; C116-C120 WeakPolarHBondContact O-CB 3.49Å; C116-C120 PolarHBondContact O-N 3.01Å; C116-C120 PolarHBondContact O-SG 3.02Å; C116-C120 VanDerWaalsContact O-SG 3.36Å |
| 117 | S | 85 | Confident | 79.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 174.9 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | Y36 I113 L114 R115 D119 C120 L121 T123 | Y36-S117 WeakPolarHBondContact OH-CB 3.3Å; Y36-S117 PolarHBondContact OH-OG 3.42Å; I113-S117 PolarHBondContact O-N 3.15Å; L114-S117 WeakPolarHBondContact O-CA 3.07Å; L114-S117 VanDerWaalsContact O-CB 3.28Å; L114-S117 WeakPolarHBondContact O-CB 3.48Å; L114-S117 PolarHBondContact O-N 2.68Å; R115-S117 PolarHBondContact O-N 2.94Å; S117-D119 VanDerWaalsContact C-N 3.35Å; S117-D119 PolarHBondContact O-N 3.37Å; S117-C120 PolarHBondContact O-N 3.45Å; S117-L121 PolarHBondContact O-N 3.25Å; S117-L121 VanDerWaalsContact O-N 3.15Å; S117-T123 PolarHBondContact O-OG1 3Å; S117-T123 PolarHBondContact OG-OG1 3.46Å |
| 118 | E | 83.1 | Confident | 79.1 | Confident | 44 Ų | 44 | 63 Ų | 63 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.7 | -50.5 | 177.6 | -72.5 | 160.6 | -127.6 | 0 | 0 | 110.9 | L114 R115 C120 G122 T123 A125 Y126 | L114-E118 PolarHBondContact O-N 3.01Å; R115-E118 PolarHBondContact O-N 3.46Å; E118-C120 VanDerWaalsContact C-N 3.26Å; E118-C120 PolarHBondContact O-N 3.28Å; E118-G122 PolarHBondContact O-N 2.96Å; E118-T123 WeakPolarHBondContact CA-OG1 3.32Å; E118-T123 PolarHBondContact N-OG1 3.28Å; E118-A125 WeakPolarHBondContact OE2-CA 3.27Å; E118-Y126 WeakPolarHBondContact OE1-CA 3.42Å; E118-Y126 WeakPolarHBondContact OE1-CB 3.43Å; E118-Y126 PolarHBondContact OE1-N 3.21Å; E118-Y126 PolarHBondContact OE2-N 3.27Å |
| 119 | D | 78.9 | Confident | 78.4 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.7 | -24.3 | -177.6 | -63.3 | -25.6 | 0 | 0 | 0 | 112.6 | K43 R115 C116 S117 | K43-D119 PolarHBondContact NZ-O 3.29Å; R115-D119 VanDerWaalsContact O-CG 3.24Å; R115-D119 PolarHBondContact O-N 2.8Å; R115-D119 VanDerWaalsContact O-N 3.07Å; C116-D119 PolarHBondContact O-N 3.47Å; S117-D119 VanDerWaalsContact C-N 3.35Å; S117-D119 PolarHBondContact O-N 3.37Å |
| 120 | C | 71.3 | Confident | 78 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 28% | 0.277 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -80.1 | -41.1 | -179.1 | -88.8 | 0 | 0 | 0 | 0 | 112.5 | K43 C116 S117 E118 | K43-C120 WeakPolarHBondContact CD-SG 3.42Å; C116-C120 VanDerWaalsContact O-CB 3.28Å; C116-C120 WeakPolarHBondContact O-CB 3.49Å; C116-C120 PolarHBondContact O-N 3.01Å; C116-C120 PolarHBondContact O-SG 3.02Å; C116-C120 VanDerWaalsContact O-SG 3.36Å; S117-C120 PolarHBondContact O-N 3.45Å; E118-C120 VanDerWaalsContact C-N 3.26Å; E118-C120 PolarHBondContact O-N 3.28Å |
| 121 | L | 64.3 | Low | 77.6 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -141.4 | 8.4 | -156.2 | -73.8 | 151 | 0 | 0 | 0 | 113.9 | Y36 K39 S117 T123 | Y36-L121 HydrophobicContact CD2-CD1 3.17Å; Y36-L121 HydrophobicContact CD2-CG 4.44Å; Y36-L121 HydrophobicContact CE2-CB 4.49Å; Y36-L121 HydrophobicContact CE2-CD1 3.32Å; Y36-L121 HydrophobicContact CG-CD1 4.1Å; K39-L121 HydrophobicContact CD-CD1 4.41Å; K39-L121 HydrophobicContact CD-CD2 4.15Å; S117-L121 PolarHBondContact O-N 3.25Å; S117-L121 VanDerWaalsContact O-N 3.15Å; L121-T123 HydrophobicContact CB-CG2 4.04Å; L121-T123 PolarHBondContact O-N 3.36Å |
| 122 | G | 62.5 | Low | 77.5 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 73% | 0.732 | 33% | 0.332 | S | S | * | . | trans | 65.7 | 24.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E118 | E118-G122 PolarHBondContact O-N 2.96Š| ||
| 123 | T | 61.3 | Low | 77.1 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | trans | -66.2 | 144.6 | 176.8 | 63.1 | 0 | 0 | 0 | 0 | 109.3 | Y36 S117 E118 L121 A125 | Y36-T123 HydrophobicContact CE2-CG2 4.19Å; S117-T123 PolarHBondContact O-OG1 3Å; S117-T123 PolarHBondContact OG-OG1 3.46Å; E118-T123 WeakPolarHBondContact CA-OG1 3.32Å; E118-T123 PolarHBondContact N-OG1 3.28Å; L121-T123 HydrophobicContact CB-CG2 4.04Å; L121-T123 PolarHBondContact O-N 3.36Å; T123-A125 PolarHBondContact O-N 3.12Å | ||
| 124 | P | 58.4 | Low | 77 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 53% | 0.532 | 32% | 0.323 | S | S | . | . | trans | -56.7 | 138.1 | -175.9 | 20.5 | -30.3 | 0 | 0 | 0 | 111.4 | W130 | P124-W130 HydrophobicContact CG-CZ2 3.77Š| ||
| 125 | A | 57.1 | Low | 76.9 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | trans | -45.2 | 147.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | E118 T123 S127 | E118-A125 WeakPolarHBondContact OE2-CA 3.27Å; T123-A125 PolarHBondContact O-N 3.12Å; A125-S127 PolarHBondContact O-N 2.99Å | ||
| 126 | Y | 65.2 | Low | 77 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 35% | 0.349 | 34% | 0.336 | S | S | . | . | trans | -41 | 100.2 | 174.9 | 177.2 | -98 | 0 | 0 | 0 | 109 | R111 L114 E118 | R111-Y126 HydrophobicContact CB-CE2 4.03Å; L114-Y126 HydrophobicContact CB-CD2 3.81Å; L114-Y126 HydrophobicContact CB-CE2 4.45Å; L114-Y126 HydrophobicContact CD1-CD2 3.57Å; L114-Y126 HydrophobicContact CD1-CE2 3.65Å; L114-Y126 HydrophobicContact CG-CD2 4.35Å; E118-Y126 WeakPolarHBondContact OE1-CA 3.42Å; E118-Y126 WeakPolarHBondContact OE1-CB 3.43Å; E118-Y126 PolarHBondContact OE1-N 3.21Å; E118-Y126 PolarHBondContact OE2-N 3.27Å | ||
| 127 | S | 75 | Confident | 77 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | trans | -108.9 | 147 | 175.1 | 84.5 | 0 | 0 | 0 | 0 | 108.8 | A125 E129 W130 K131 | A125-S127 PolarHBondContact O-N 2.99Å; S127-E129 PolarHBondContact O-N 3.38Å; S127-E129 PolarHBondContact OG-N 3.14Å; S127-W130 WeakPolarHBondContact O-CB 3.39Å; S127-W130 PolarHBondContact O-N 3.36Å; S127-W130 VanDerWaalsContact OG-CD1 3.28Å; S127-W130 PolarHBondContact OG-N 2.76Å; S127-K131 PolarHBondContact O-N 2.94Å | ||
| 128 | E | 81.5 | Confident | 77.4 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.1 | -30.6 | 174.3 | -71 | -61.7 | 133.3 | 0 | 0 | 111 | W130 K131 E132 | E128-W130 PolarHBondContact O-N 3.19Å; E128-K131 WeakPolarHBondContact O-CB 3.33Å; E128-K131 PolarHBondContact O-N 3.15Å; E128-K131 IonicContact OE1-NZ 3.74Å; E128-K131 WeakPolarHBondContact OE2-CD 3.46Å; E128-K131 IonicContact OE2-NZ 2.81Å; E128-K131 PolarHBondContact OE2-NZ 3.07Å; E128-E132 WeakPolarHBondContact O-CG 3.38Å; E128-E132 PolarHBondContact O-N 3.2Å |
| 129 | E | 79.4 | Confident | 77.7 | Confident | 100 Ų | 100 | 61.1 Ų | 61.1 | 47% | 0.467 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 173.6 | -175.3 | -179 | -168.2 | 0 | 0 | 112.5 | S127 K131 E132 R133 | S127-E129 PolarHBondContact O-N 3.38Å; S127-E129 PolarHBondContact OG-N 3.14Å; E129-K131 VanDerWaalsContact C-N 3.34Å; E129-K131 PolarHBondContact O-N 2.98Å; E129-E132 PolarHBondContact O-N 3.08Å; E129-R133 VanDerWaalsContact O-CG 3.3Å; E129-R133 WeakPolarHBondContact O-CG 3.49Å; E129-R133 PolarHBondContact O-N 2.55Å; E129-R133 IonicContact OE1-CZ 3.49Å; E129-R133 IonicContact OE1-NE 3.62Å; E129-R133 IonicContact OE1-NH2 2.65Å; E129-R133 PolarHBondContact OE1-NH2 2.85Å |
| 130 | W | 83 | Confident | 78.3 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.8 | -91.9 | 68.3 | 0 | 0 | 0 | 111.9 | L87 Q90 I91 L114 P124 S127 E128 R133 V134 | L87-W130 HydrophobicContact CD1-CD2 4.49Å; L87-W130 HydrophobicContact CD1-CH2 3.67Å; L87-W130 HydrophobicContact CD1-CZ2 3.03Å; Q90-W130 HydrophobicContact CB-CH2 4.06Å; Q90-W130 HydrophobicContact CB-CZ3 4.29Å; I91-W130 HydrophobicContact CG1-CE3 4.03Å; I91-W130 HydrophobicContact CG1-CZ3 4.05Å; L114-W130 HydrophobicContact CD2-CE3 3.75Å; L114-W130 HydrophobicContact CD2-CZ3 4.29Å; P124-W130 HydrophobicContact CG-CZ2 3.77Å; S127-W130 WeakPolarHBondContact O-CB 3.39Å; S127-W130 PolarHBondContact O-N 3.36Å; S127-W130 VanDerWaalsContact OG-CD1 3.28Å; S127-W130 PolarHBondContact OG-N 2.76Å; E128-W130 PolarHBondContact O-N 3.19Å; W130-R133 PolarHBondContact O-N 3.45Å; W130-V134 WeakPolarHBondContact O-CG2 3.42Å; W130-V134 PolarHBondContact O-N 3.42Å |
| 131 | K | 85.6 | Confident | 79.3 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 177.6 | 172.9 | -173.3 | 167 | -161.7 | 0 | 111.4 | L110 S127 E128 E129 R133 V134 V135 | L110-K131 HydrophobicContact CD2-CB 4.37Å; L110-K131 HydrophobicContact CD2-CG 3.9Å; S127-K131 PolarHBondContact O-N 2.94Å; E128-K131 WeakPolarHBondContact O-CB 3.33Å; E128-K131 PolarHBondContact O-N 3.15Å; E128-K131 IonicContact OE1-NZ 3.74Å; E128-K131 WeakPolarHBondContact OE2-CD 3.46Å; E128-K131 IonicContact OE2-NZ 2.81Å; E128-K131 PolarHBondContact OE2-NZ 3.07Å; E129-K131 VanDerWaalsContact C-N 3.34Å; E129-K131 PolarHBondContact O-N 2.98Å; K131-R133 VanDerWaalsContact C-N 3.32Å; K131-R133 PolarHBondContact O-N 2.73Å; K131-V134 PolarHBondContact O-N 3.43Å; K131-V135 VanDerWaalsContact O-CG2 3.3Å; K131-V135 WeakPolarHBondContact O-CG2 3.18Å; K131-V135 PolarHBondContact O-N 3.3Å |
| 132 | E | 86.6 | Confident | 80.7 | Confident | 135 Ų | 135 | 54.8 Ų | 54.8 | 63% | 0.631 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.6 | -44 | 174.6 | -74.5 | 177 | -176.2 | 0 | 0 | 111.7 | E128 E129 V135 A136 | E128-E132 WeakPolarHBondContact O-CG 3.38Å; E128-E132 PolarHBondContact O-N 3.2Å; E129-E132 PolarHBondContact O-N 3.08Å; E132-V135 PolarHBondContact O-N 3.23Å; E132-A136 WeakPolarHBondContact O-CB 3.36Å; E132-A136 PolarHBondContact O-N 2.87Å |
| 133 | R | 84.7 | Confident | 82.1 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 18% | 0.181 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 177.5 | -70.8 | 179.9 | -170.8 | -169.1 | 7.2 | 112.8 | L87 I91 E129 W130 K131 A136 L137 | L87-R133 VanDerWaalsContact CD2-NH1 3.25Å; I91-R133 HydrophobicContact CD1-CB 4.05Å; I91-R133 HydrophobicContact CG2-CB 4.25Å; E129-R133 VanDerWaalsContact O-CG 3.3Å; E129-R133 WeakPolarHBondContact O-CG 3.49Å; E129-R133 PolarHBondContact O-N 2.55Å; E129-R133 IonicContact OE1-CZ 3.49Å; E129-R133 IonicContact OE1-NE 3.62Å; E129-R133 IonicContact OE1-NH2 2.65Å; E129-R133 PolarHBondContact OE1-NH2 2.85Å; W130-R133 PolarHBondContact O-N 3.45Å; K131-R133 VanDerWaalsContact C-N 3.32Å; K131-R133 PolarHBondContact O-N 2.73Å; R133-A136 PolarHBondContact O-N 2.99Å; R133-L137 VanDerWaalsContact O-CB 3.23Å; R133-L137 WeakPolarHBondContact O-CB 3.44Å; R133-L137 PolarHBondContact O-N 3.11Å |
| 134 | V | 89.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 111 | I91 V94 M98 L110 W130 K131 L137 E138 | I91-V134 HydrophobicContact CG2-CG2 3.83Å; V94-V134 HydrophobicContact CG1-CG1 4.3Å; V94-V134 HydrophobicContact CG1-CG2 4.06Å; M98-V134 HydrophobicContact SD-CG1 3.62Å; L110-V134 HydrophobicContact CD1-CB 4.22Å; L110-V134 HydrophobicContact CD1-CG1 3.75Å; L110-V134 HydrophobicContact CD1-CG2 4.28Å; L110-V134 HydrophobicContact CD2-CB 4.12Å; L110-V134 HydrophobicContact CD2-CG1 3.92Å; W130-V134 WeakPolarHBondContact O-CG2 3.42Å; W130-V134 PolarHBondContact O-N 3.42Å; K131-V134 PolarHBondContact O-N 3.43Å; V134-L137 PolarHBondContact O-N 2.98Å; V134-E138 WeakPolarHBondContact O-CB 3.47Å; V134-E138 PolarHBondContact O-N 2.97Å |
| 135 | V | 88.1 | Confident | 84.9 | Confident | 73 Ų | 73 | 54.4 Ų | 54.4 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 178.4 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | L110 K131 E132 E138 | L110-V135 HydrophobicContact CD2-CG2 4.39Å; K131-V135 VanDerWaalsContact O-CG2 3.3Å; K131-V135 WeakPolarHBondContact O-CG2 3.18Å; K131-V135 PolarHBondContact O-N 3.3Å; E132-V135 PolarHBondContact O-N 3.23Å; V135-E138 PolarHBondContact O-N 2.94Å |
| 136 | A | 87.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 50% | 0.496 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | E132 R133 E138 S139 V140 | E132-A136 WeakPolarHBondContact O-CB 3.36Å; E132-A136 PolarHBondContact O-N 2.87Å; R133-A136 PolarHBondContact O-N 2.99Å; A136-E138 VanDerWaalsContact C-N 3.34Å; A136-E138 PolarHBondContact O-N 3.43Å; A136-S139 PolarHBondContact O-N 2.95Å; A136-V140 PolarHBondContact O-N 3.4Å |
| 137 | L | 89.8 | Confident | 87.8 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -33.6 | -179.7 | -165.4 | 63.7 | 0 | 0 | 0 | 112.4 | F61 F70 I91 T95 R133 V134 S139 V140 L141 | F61-L137 HydrophobicContact CE2-CD1 4.22Å; F61-L137 HydrophobicContact CZ-CD1 3.71Å; F61-L137 HydrophobicContact CZ-CG 4.49Å; F70-L137 HydrophobicContact CD1-CD1 4.04Å; F70-L137 HydrophobicContact CE1-CD1 3.37Å; F70-L137 HydrophobicContact CZ-CD1 3.74Å; I91-L137 HydrophobicContact CB-CD2 4.38Å; I91-L137 HydrophobicContact CG2-CB 4.41Å; I91-L137 HydrophobicContact CG2-CD2 3.67Å; T95-L137 HydrophobicContact CG2-CB 4.23Å; T95-L137 HydrophobicContact CG2-CG 4.26Å; R133-L137 VanDerWaalsContact O-CB 3.23Å; R133-L137 WeakPolarHBondContact O-CB 3.44Å; R133-L137 PolarHBondContact O-N 3.11Å; V134-L137 PolarHBondContact O-N 2.98Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.42Å; L137-V140 HydrophobicContact CD1-CB 4.41Å; L137-V140 PolarHBondContact O-N 2.99Å; L137-V140 VanDerWaalsContact O-N 3.14Å; L137-L141 WeakPolarHBondContact O-CB 3.3Å; L137-L141 PolarHBondContact O-N 3.23Å |
| 138 | E | 92.6 | Very high | 88.7 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.3 | -45.1 | 174.5 | 174 | 168.8 | -128.3 | 0 | 0 | 111.2 | T95 V99 K102 V134 V135 A136 V140 L141 L142 | T95-E138 VanDerWaalsContact CG2-CA 3.45Å; T95-E138 HydrophobicContact CG2-CB 3.95Å; V99-E138 HydrophobicContact CG2-CG 4.09Å; K102-E138 IonicContact NZ-OE1 2.63Å; K102-E138 PolarHBondContact NZ-OE1 3.39Å; K102-E138 IonicContact NZ-OE2 3.32Å; K102-E138 PolarHBondContact NZ-OE2 3.39Å; V134-E138 WeakPolarHBondContact O-CB 3.47Å; V134-E138 PolarHBondContact O-N 2.97Å; V135-E138 PolarHBondContact O-N 2.94Å; A136-E138 VanDerWaalsContact C-N 3.34Å; A136-E138 PolarHBondContact O-N 3.43Å; E138-V140 PolarHBondContact O-N 3.31Å; E138-L141 PolarHBondContact O-N 2.8Å; E138-L142 HydrophobicContact CG-CD1 4.05Å; E138-L142 WeakPolarHBondContact O-CB 3.47Å; E138-L142 VanDerWaalsContact O-CG 3.29Å; E138-L142 WeakPolarHBondContact O-CG 3.15Å; E138-L142 PolarHBondContact O-N 3.08Å |
| 139 | S | 90 | Very high | 89.2 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 112 | A136 L137 Q143 | A136-S139 PolarHBondContact O-N 2.95Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.42Å; S139-Q143 VanDerWaalsContact O-CG 3.3Å; S139-Q143 WeakPolarHBondContact O-CG 3.43Å; S139-Q143 PolarHBondContact O-N 3.15Å; S139-Q143 VanDerWaalsContact O-N 3.16Å |
| 140 | V | 90.7 | Very high | 89.8 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 177.5 | 178 | 0 | 0 | 0 | 0 | 111 | F61 Y65 F70 A136 L137 E138 L142 Q143 T144 | F61-V140 HydrophobicContact CE2-CG1 4.32Å; Y65-V140 HydrophobicContact CE1-CG1 4.42Å; Y65-V140 HydrophobicContact CE2-CG1 4.08Å; Y65-V140 WeakPolarHBondContact OH-CG1 3.31Å; F70-V140 HydrophobicContact CZ-CG1 4.43Å; A136-V140 PolarHBondContact O-N 3.4Å; L137-V140 HydrophobicContact CD1-CB 4.41Å; L137-V140 PolarHBondContact O-N 2.99Å; L137-V140 VanDerWaalsContact O-N 3.14Å; E138-V140 PolarHBondContact O-N 3.31Å; V140-L142 PolarHBondContact O-N 2.93Å; V140-Q143 PolarHBondContact O-N 3.43Å; V140-T144 WeakPolarHBondContact O-CB 3.48Å; V140-T144 PolarHBondContact O-N 2.89Å; V140-T144 PolarHBondContact O-OG1 3.48Å |
| 141 | L | 91.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.4 | -50 | 178.2 | 175 | 61.3 | 0 | 0 | 0 | 110.7 | F61 T95 V99 L137 E138 Q143 T144 I145 | F61-L141 HydrophobicContact CB-CD1 4.08Å; F61-L141 HydrophobicContact CD2-CB 4.42Å; F61-L141 HydrophobicContact CD2-CD1 3.62Å; F61-L141 HydrophobicContact CE2-CB 4.47Å; F61-L141 HydrophobicContact CE2-CD1 4.45Å; F61-L141 HydrophobicContact CG-CD1 4.22Å; T95-L141 HydrophobicContact CG2-CB 4.37Å; T95-L141 HydrophobicContact CG2-CD2 3.87Å; V99-L141 HydrophobicContact CB-CD2 4.18Å; V99-L141 HydrophobicContact CG2-CD2 3.85Å; L137-L141 WeakPolarHBondContact O-CB 3.3Å; L137-L141 PolarHBondContact O-N 3.23Å; E138-L141 PolarHBondContact O-N 2.8Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 3.2Å; L141-T144 WeakPolarHBondContact O-CB 3.44Å; L141-T144 PolarHBondContact O-N 3.37Å; L141-T144 VanDerWaalsContact O-N 3.13Å; L141-I145 HydrophobicContact CD1-CG2 4.12Å; L141-I145 WeakPolarHBondContact O-CG1 3.39Å; L141-I145 PolarHBondContact O-N 3.43Å |
| 142 | L | 94 | Very high | 90.7 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 179.2 | -72.1 | 172.4 | 0 | 0 | 0 | 112.3 | V99 E138 V140 T144 I145 K146 F147 V149 | V99-L142 HydrophobicContact CG1-CD2 4Å; V99-L142 HydrophobicContact CG2-CD2 4.42Å; E138-L142 HydrophobicContact CG-CD1 4.05Å; E138-L142 WeakPolarHBondContact O-CB 3.47Å; E138-L142 VanDerWaalsContact O-CG 3.29Å; E138-L142 WeakPolarHBondContact O-CG 3.15Å; E138-L142 PolarHBondContact O-N 3.08Å; V140-L142 PolarHBondContact O-N 2.93Å; L142-T144 VanDerWaalsContact C-N 3.34Å; L142-I145 HydrophobicContact CD2-CD1 4.47Å; L142-K146 PolarHBondContact O-N 3.36Å; L142-K146 VanDerWaalsContact O-N 3.13Å; L142-F147 HydrophobicContact CB-CD1 4.06Å; L142-F147 HydrophobicContact CB-CE1 3.82Å; L142-F147 HydrophobicContact CB-CZ 4.26Å; L142-F147 HydrophobicContact CD1-CE1 4.27Å; L142-F147 HydrophobicContact CD2-CD1 4.41Å; L142-F147 PolarHBondContact O-N 2.92Å; L142-V149 HydrophobicContact CD2-CG1 3.73Å |
| 143 | Q | 91.4 | Very high | 91.1 | Very high | 134 Ų | 134 | 53 Ų | 53 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 175.3 | -71.3 | 174.3 | 18.2 | 0 | 0 | 112 | S139 V140 L141 K146 F147 | S139-Q143 VanDerWaalsContact O-CG 3.3Å; S139-Q143 WeakPolarHBondContact O-CG 3.43Å; S139-Q143 PolarHBondContact O-N 3.15Å; S139-Q143 VanDerWaalsContact O-N 3.16Å; V140-Q143 PolarHBondContact O-N 3.43Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 3.2Å; Q143-K146 WeakPolarHBondContact O-CA 3.41Å; Q143-K146 PolarHBondContact O-N 2.92Å; Q143-F147 HydrophobicContact CG-CE2 4.48Å |
| 144 | T | 89.2 | Confident | 91.7 | Very high | 14 Ų | 14 | 51 Ų | 51 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | -179.2 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | F61 Y64 Y65 V140 L141 L142 K146 | F61-T144 HydrophobicContact CD2-CG2 4.47Å; Y64-T144 HydrophobicContact CD2-CG2 3.33Å; Y64-T144 HydrophobicContact CE2-CG2 4.08Å; Y64-T144 HydrophobicContact CG-CG2 3.64Å; Y65-T144 HydrophobicContact CE2-CG2 3.85Å; Y65-T144 VanDerWaalsContact CE2-OG1 3.26Å; Y65-T144 WeakPolarHBondContact CE2-OG1 3.43Å; Y65-T144 PolarHBondContact OH-OG1 2.94Å; V140-T144 WeakPolarHBondContact O-CB 3.48Å; V140-T144 PolarHBondContact O-N 2.89Å; V140-T144 PolarHBondContact O-OG1 3.48Å; L141-T144 WeakPolarHBondContact O-CB 3.44Å; L141-T144 PolarHBondContact O-N 3.37Å; L141-T144 VanDerWaalsContact O-N 3.13Å; L142-T144 VanDerWaalsContact C-N 3.34Å; T144-K146 PolarHBondContact O-N 3.41Å |
| 145 | I | 90.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 4.9 | 176.3 | 70.4 | -173.8 | 0 | 0 | 0 | 112.4 | L57 H60 L141 L142 F147 D148 V149 | L57-I145 HydrophobicContact CD2-CD1 3.77Å; L57-I145 HydrophobicContact CD2-CG2 4.25Å; H60-I145 HydrophobicContact CB-CG2 4.48Å; L141-I145 HydrophobicContact CD1-CG2 4.12Å; L141-I145 WeakPolarHBondContact O-CG1 3.39Å; L141-I145 PolarHBondContact O-N 3.43Å; L142-I145 HydrophobicContact CD2-CD1 4.47Å; I145-F147 PolarHBondContact O-N 2.91Å; I145-D148 VanDerWaalsContact O-CB 3.26Å; I145-D148 WeakPolarHBondContact O-CB 3.49Å; I145-D148 PolarHBondContact O-N 3.46Å; I145-V149 HydrophobicContact CD1-CG1 3.81Å |
| 146 | K | 91.6 | Very high | 92.5 | Very high | 134 Ų | 134 | 51.6 Ų | 51.6 | 58% | 0.583 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 40.3 | -178.5 | -49.9 | -171.1 | -173.2 | 178.3 | 0 | 112.9 | P2 L142 Q143 T144 D148 | P2-K146 HydrophobicContact CB-CB 4.27Å; P2-K146 HydrophobicContact CB-CD 4.03Å; P2-K146 HydrophobicContact CB-CG 4.27Å; L142-K146 PolarHBondContact O-N 3.36Å; L142-K146 VanDerWaalsContact O-N 3.13Å; Q143-K146 WeakPolarHBondContact O-CA 3.41Å; Q143-K146 PolarHBondContact O-N 2.92Å; T144-K146 PolarHBondContact O-N 3.41Å; K146-D148 PolarHBondContact O-N 3.31Å; K146-D148 VanDerWaalsContact O-N 3.13Å |
| 147 | F | 92.9 | Very high | 92.9 | Very high | 138 Ų | 138 | 50.2 Ų | 50.2 | 61% | 0.605 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 14.3 | -177 | -61.5 | -93.4 | 0 | 0 | 0 | 114.9 | L142 Q143 I145 V149 | L142-F147 HydrophobicContact CB-CD1 4.06Å; L142-F147 HydrophobicContact CB-CE1 3.82Å; L142-F147 HydrophobicContact CB-CZ 4.26Å; L142-F147 HydrophobicContact CD1-CE1 4.27Å; L142-F147 HydrophobicContact CD2-CD1 4.41Å; L142-F147 PolarHBondContact O-N 2.92Å; Q143-F147 HydrophobicContact CG-CE2 4.48Å; I145-F147 PolarHBondContact O-N 2.91Å; F147-V149 VanDerWaalsContact C-N 3.31Å; F147-V149 PolarHBondContact O-N 3.11Å |
| 148 | D | 92 | Very high | 93.3 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | trans | -86.8 | 75.7 | 176.9 | -167.8 | 15.9 | 0 | 0 | 0 | 110.3 | P2 R4 I145 K146 F150 | P2-D148 WeakPolarHBondContact CD-OD2 3.28Å; P2-D148 HydrophobicContact CG-CB 3.47Å; P2-D148 VanDerWaalsContact CG-CB 3.47Å; P2-D148 WeakPolarHBondContact CG-OD2 3.47Å; R4-D148 IonicContact CZ-OD1 3.07Å; R4-D148 IonicContact CZ-OD2 3.89Å; R4-D148 IonicContact NE-OD2 2.64Å; R4-D148 PolarHBondContact NE-OD2 3.48Å; R4-D148 IonicContact NH2-OD1 2.73Å; R4-D148 PolarHBondContact NH2-OD1 2.9Å; R4-D148 IonicContact NH2-OD2 2.69Å; R4-D148 PolarHBondContact NH2-OD2 3.5Å; I145-D148 VanDerWaalsContact O-CB 3.26Å; I145-D148 WeakPolarHBondContact O-CB 3.49Å; I145-D148 PolarHBondContact O-N 3.46Å; K146-D148 PolarHBondContact O-N 3.31Å; K146-D148 VanDerWaalsContact O-N 3.13Å; D148-F150 VanDerWaalsContact C-N 3.34Å | ||
| 149 | V | 92.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 15% | 0.152 | 26% | 0.262 | C | S | . | . | trans | -81.1 | -13.9 | -175 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | V99 A103 L142 I145 F147 V151 | V99-V149 HydrophobicContact CG1-CB 4.45Å; V99-V149 HydrophobicContact CG1-CG1 3.75Å; A103-V149 HydrophobicContact CB-CB 3.89Å; A103-V149 HydrophobicContact CB-CG2 3.76Å; L142-V149 HydrophobicContact CD2-CG1 3.73Å; I145-V149 HydrophobicContact CD1-CG1 3.81Å; F147-V149 VanDerWaalsContact C-N 3.31Å; F147-V149 PolarHBondContact O-N 3.11Å; V149-V151 PolarHBondContact O-N 3.1Å | ||
| 150 | F | 91.6 | Very high | 93.6 | Very high | 143 Ų | 143 | 50.9 Ų | 50.9 | 63% | 0.627 | 26% | 0.256 | S | S | * | . | trans | -79.3 | 107.4 | -175.7 | -66.5 | -71.2 | 0 | 0 | 0 | 111.2 | R4 D148 | R4-F150 VanDerWaalsContact CZ-O 3.27Å; R4-F150 PolarHBondContact NH1-O 3Å; R4-F150 PolarHBondContact NH2-O 3.16Å; D148-F150 VanDerWaalsContact C-N 3.34Å | ||
| 151 | V | 93.6 | Very high | 93.8 | Very high | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | trans | -94.8 | 133 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 109.5 | V56 L57 V149 L153 | V56-V151 HydrophobicContact CB-CG1 3.76Å; V56-V151 HydrophobicContact CB-CG2 4.13Å; V56-V151 HydrophobicContact CG1-CG1 3.88Å; V56-V151 HydrophobicContact CG1-CG2 4.08Å; V56-V151 HydrophobicContact CG2-CG1 3.77Å; L57-V151 HydrophobicContact CD2-CG2 4.22Å; L57-V151 HydrophobicContact CG-CG2 4.23Å; V149-V151 PolarHBondContact O-N 3.1Å; V151-L153 HydrophobicContact CG1-CD2 3.84Å; V151-L153 HydrophobicContact CG1-CG 4.44Å | ||
| 152 | V | 94.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 49.1 Ų | 49.1 | 48% | 0.479 | 25% | 0.246 | S | C | . | . | trans | -104.4 | 123.9 | 172 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | F157 P197 | V152-F157 HydrophobicContact CG1-CE2 3.64Å; V152-F157 HydrophobicContact CG1-CZ 3.96Å; V152-P197 HydrophobicContact CB-CG 4.09Å; V152-P197 HydrophobicContact CG1-CG 3.84Å | ||
| 153 | L | 95.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | trans | -94.7 | 158.4 | -177.5 | -61.9 | 175.6 | 0 | 0 | 0 | 111.5 | Y48 D49 A52 V56 V151 H155 P156 F157 | Y48-L153 HydrophobicContact CE1-CD1 4.44Å; D49-L153 HydrophobicContact CB-CD1 4.31Å; A52-L153 HydrophobicContact CB-CD1 3.53Å; A52-L153 HydrophobicContact CB-CD2 3.65Å; A52-L153 HydrophobicContact CB-CG 4.25Å; V56-L153 HydrophobicContact CG2-CD2 4.38Å; V151-L153 HydrophobicContact CG1-CD2 3.84Å; V151-L153 HydrophobicContact CG1-CG 4.44Å; L153-H155 VanDerWaalsContact C-N 3.28Å; L153-H155 PolarHBondContact O-N 2.98Å; L153-P156 VanDerWaalsContact O-CD 3.3Å; L153-P156 WeakPolarHBondContact O-CD 3.48Å; L153-F157 WeakPolarHBondContact O-CD2 3.18Å | ||
| 154 | P | 97.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.045 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -67.4 | -26.1 | 175.9 | 25.9 | -34.6 | 0 | 0 | 0 | 113.4 | F157 I158 A183 P197 I200 A201 | P154-F157 WeakPolarHBondContact O-CB 3.47Å; P154-F157 PolarHBondContact O-N 3.46Å; P154-I158 PolarHBondContact O-N 2.95Å; P154-I158 VanDerWaalsContact O-N 3.14Å; P154-A183 HydrophobicContact CG-CB 3.96Å; P154-P197 HydrophobicContact CB-CB 4.45Å; P154-P197 WeakPolarHBondContact CB-O 3.37Å; P154-I200 HydrophobicContact CB-CB 4.17Å; P154-I200 HydrophobicContact CB-CG2 4Å; P154-I200 HydrophobicContact CG-CG2 4.15Å; P154-A201 HydrophobicContact CB-CB 4.17Å |
| 155 | H | 97 | Very high | 93.7 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | -169.6 | -55.6 | 75.3 | 0 | 0 | 0 | 115.6 | Y48 L153 F157 I158 T159 W180 N184 | Y48-H155 AromaticContact CE1-CE1 3.66Å; Y48-H155 AromaticContact CE1-ND1 4Å; Y48-H155 AromaticContact CE1-NE2 3.77Å; Y48-H155 AromaticContact CZ-CE1 3.67Å; Y48-H155 AromaticContact CZ-NE2 3.66Å; Y48-H155 PolarHBondContact OH-CE1 3.09Å; Y48-H155 PolarHBondContact OH-NE2 3.27Å; L153-H155 VanDerWaalsContact C-N 3.28Å; L153-H155 PolarHBondContact O-N 2.98Å; H155-F157 PolarHBondContact O-N 3.28Å; H155-I158 WeakPolarHBondContact O-CB 3.41Å; H155-I158 PolarHBondContact O-N 3.44Å; H155-I158 VanDerWaalsContact O-N 3.15Å; H155-T159 PolarHBondContact O-N 3.38Å; H155-W180 HydrophobicContact CB-CE3 4.15Å; H155-W180 HydrophobicContact CB-CH2 3.66Å; H155-W180 HydrophobicContact CB-CZ2 4.08Å; H155-W180 HydrophobicContact CB-CZ3 3.7Å; H155-W180 AromaticContact CD2-CD1 3.96Å; H155-W180 AromaticContact CD2-CD2 3.5Å; H155-W180 AromaticContact CD2-CE2 3.33Å; H155-W180 AromaticContact CD2-CE3 3.92Å; H155-W180 AromaticContact CD2-CG 3.9Å; H155-W180 AromaticContact CD2-CZ2 3.63Å; H155-W180 AromaticContact CD2-NE1 3.63Å; H155-N184 PolarHBondContact NE2-OD1 3.13Å |
| 156 | P | 96.1 | Very high | 93.5 | Very high | 83 Ų | 83 | 51.3 Ų | 51.3 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.3 | -32.7 | 175.7 | -24.2 | 36.3 | 0 | 0 | 0 | 112.8 | L153 K160 | L153-P156 VanDerWaalsContact O-CD 3.3Å; L153-P156 WeakPolarHBondContact O-CD 3.48Å; P156-K160 WeakPolarHBondContact O-CB 3.46Å; P156-K160 PolarHBondContact O-N 3.21Å |
| 157 | F | 97.5 | Very high | 93.2 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.9 | -35.6 | 177.9 | -58.3 | -72.5 | 0 | 0 | 0 | 112.2 | V152 L153 P154 H155 T159 K160 F161 P197 E198 A201 | V152-F157 HydrophobicContact CG1-CE2 3.64Å; V152-F157 HydrophobicContact CG1-CZ 3.96Å; L153-F157 WeakPolarHBondContact O-CD2 3.18Å; P154-F157 WeakPolarHBondContact O-CB 3.47Å; P154-F157 PolarHBondContact O-N 3.46Å; H155-F157 PolarHBondContact O-N 3.28Å; F157-T159 VanDerWaalsContact C-N 3.32Å; F157-T159 PolarHBondContact O-N 3.02Å; F157-K160 PolarHBondContact O-N 3.45Å; F157-F161 HydrophobicContact CB-CD2 4.22Å; F157-F161 HydrophobicContact CB-CE1 4.46Å; F157-F161 HydrophobicContact CB-CE2 3.7Å; F157-F161 HydrophobicContact CB-CZ 3.84Å; F157-F161 HydrophobicContact CD1-CE1 4.45Å; F157-F161 HydrophobicContact CD1-CZ 4.06Å; F157-F161 HydrophobicContact CG-CZ 4.32Å; F157-F161 WeakPolarHBondContact O-CB 3.35Å; F157-F161 VanDerWaalsContact O-CD2 3.28Å; F157-F161 WeakPolarHBondContact O-CD2 3.4Å; F157-F161 WeakPolarHBondContact O-CG 3.32Å; F157-F161 PolarHBondContact O-N 3.39Å; F157-P197 HydrophobicContact CD2-CB 4.09Å; F157-P197 HydrophobicContact CD2-CG 4.48Å; F157-P197 HydrophobicContact CE2-CB 3.82Å; F157-P197 HydrophobicContact CE2-CG 3.75Å; F157-E198 HydrophobicContact CD1-CG 3.72Å; F157-E198 HydrophobicContact CD2-CG 4.27Å; F157-E198 HydrophobicContact CE1-CG 3.53Å; F157-E198 WeakPolarHBondContact CE1-OE1 3.31Å; F157-E198 HydrophobicContact CE2-CG 4.1Å; F157-E198 HydrophobicContact CG-CG 4.08Å; F157-E198 VanDerWaalsContact CZ-CD 3.41Å; F157-E198 HydrophobicContact CZ-CG 3.72Å; F157-E198 WeakPolarHBondContact CZ-OE1 3.37Å; F157-A201 HydrophobicContact CB-CB 3.57Å |
| 158 | I | 97.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.1 | -49.3 | 173.4 | -61 | 170.5 | 0 | 0 | 0 | 109.9 | P154 H155 K160 G162 L176 A179 A183 A201 V204 L205 | P154-I158 PolarHBondContact O-N 2.95Å; P154-I158 VanDerWaalsContact O-N 3.14Å; H155-I158 WeakPolarHBondContact O-CB 3.41Å; H155-I158 PolarHBondContact O-N 3.44Å; H155-I158 VanDerWaalsContact O-N 3.15Å; I158-K160 PolarHBondContact O-N 2.9Å; I158-G162 PolarHBondContact O-N 3.41Å; I158-L176 HydrophobicContact CG2-CD2 3.89Å; I158-A179 HydrophobicContact CD1-CB 4.45Å; I158-A179 HydrophobicContact CG2-CB 3.83Å; I158-A183 HydrophobicContact CD1-CB 3.67Å; I158-A201 HydrophobicContact CG1-CB 3.83Å; I158-V204 HydrophobicContact CD1-CG2 3.67Å; I158-V204 HydrophobicContact CG1-CG2 3.99Å; I158-L205 HydrophobicContact CG2-CD2 4.21Å; I158-L205 HydrophobicContact CG2-CG 4.37Å |
| 159 | T | 95 | Very high | 93 | Very high | 44 Ų | 44 | 50.3 Ų | 50.3 | 27% | 0.27 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 178.1 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | H155 F157 K163 | H155-T159 PolarHBondContact O-N 3.38Å; F157-T159 VanDerWaalsContact C-N 3.32Å; F157-T159 PolarHBondContact O-N 3.02Å; T159-K163 WeakPolarHBondContact O-CG 3.38Å; T159-K163 PolarHBondContact O-N 3.49Å |
| 160 | K | 95 | Very high | 92.9 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 32% | 0.317 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -53.7 | 177.7 | -178.7 | -178.8 | 176.2 | -178 | 0 | 111.3 | P156 F157 I158 G162 K163 | P156-K160 WeakPolarHBondContact O-CB 3.46Å; P156-K160 PolarHBondContact O-N 3.21Å; F157-K160 PolarHBondContact O-N 3.45Å; I158-K160 PolarHBondContact O-N 2.9Å; K160-G162 VanDerWaalsContact C-N 3.32Å; K160-G162 PolarHBondContact O-N 3.44Å; K160-K163 PolarHBondContact O-N 3.02Å |
| 161 | F | 94.8 | Very high | 93 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.3 | -35.7 | -176.9 | -56.7 | -22.6 | 0 | 0 | 0 | 111.7 | F157 K163 D164 E198 A201 I202 L205 W230 Y234 | F157-F161 HydrophobicContact CB-CD2 4.22Å; F157-F161 HydrophobicContact CB-CE1 4.46Å; F157-F161 HydrophobicContact CB-CE2 3.7Å; F157-F161 HydrophobicContact CB-CZ 3.84Å; F157-F161 HydrophobicContact CD1-CE1 4.45Å; F157-F161 HydrophobicContact CD1-CZ 4.06Å; F157-F161 HydrophobicContact CG-CZ 4.32Å; F157-F161 WeakPolarHBondContact O-CB 3.35Å; F157-F161 VanDerWaalsContact O-CD2 3.28Å; F157-F161 WeakPolarHBondContact O-CD2 3.4Å; F157-F161 WeakPolarHBondContact O-CG 3.32Å; F157-F161 PolarHBondContact O-N 3.39Å; F161-K163 VanDerWaalsContact C-N 3.26Å; F161-K163 PolarHBondContact O-N 3.46Å; F161-D164 PolarHBondContact O-N 2.93Å; F161-D164 VanDerWaalsContact O-N 3.15Å; F161-E198 HydrophobicContact CZ-CB 4.39Å; F161-E198 HydrophobicContact CZ-CG 4.47Å; F161-A201 HydrophobicContact CD2-CB 4.28Å; F161-A201 HydrophobicContact CE2-CB 4.04Å; F161-I202 HydrophobicContact CD2-CG1 4.03Å; F161-I202 HydrophobicContact CE2-CD1 4.26Å; F161-I202 HydrophobicContact CE2-CG1 3.78Å; F161-L205 HydrophobicContact CB-CD1 3.86Å; F161-L205 HydrophobicContact CD2-CD1 4.27Å; F161-W230 HydrophobicContact CB-CZ3 4.28Å; F161-Y234 HydrophobicContact CB-CE2 3.84Å; F161-Y234 AromaticContact CD1-CD1 3.59Å; F161-Y234 HydrophobicContact CD1-CD1 3.59Å; F161-Y234 AromaticContact CD1-CD2 3.74Å; F161-Y234 HydrophobicContact CD1-CD2 3.74Å; F161-Y234 AromaticContact CD1-CE1 3.39Å; F161-Y234 HydrophobicContact CD1-CE1 3.39Å; F161-Y234 AromaticContact CD1-CE2 3.57Å; F161-Y234 HydrophobicContact CD1-CE2 3.57Å; F161-Y234 AromaticContact CD1-CG 3.74Å; F161-Y234 HydrophobicContact CD1-CG 3.74Å; F161-Y234 AromaticContact CD1-CZ 3.37Å; F161-Y234 HydrophobicContact CD2-CD2 4.27Å; F161-Y234 HydrophobicContact CD2-CE2 4.39Å; F161-Y234 AromaticContact CE1-CD1 3.39Å; F161-Y234 HydrophobicContact CE1-CD1 3.39Å; F161-Y234 AromaticContact CE1-CD2 3.92Å; F161-Y234 HydrophobicContact CE1-CD2 3.92Å; F161-Y234 AromaticContact CE1-CE1 3.71Å; F161-Y234 HydrophobicContact CE1-CE1 3.71Å; F161-Y234 HydrophobicContact CE1-CE2 4.21Å; F161-Y234 AromaticContact CE1-CG 3.5Å; F161-Y234 HydrophobicContact CE1-CG 3.5Å; F161-Y234 VanDerWaalsContact CE1-CG 3.5Å; F161-Y234 HydrophobicContact CE2-CD2 4.42Å; F161-Y234 AromaticContact CG-CD2 3.93Å; F161-Y234 HydrophobicContact CG-CD2 3.93Å; F161-Y234 HydrophobicContact CG-CE1 4.33Å; F161-Y234 AromaticContact CG-CE2 3.68Å; F161-Y234 HydrophobicContact CG-CE2 3.68Å; F161-Y234 HydrophobicContact CG-CG 4.37Å; F161-Y234 AromaticContact CG-CZ 3.88Å; F161-Y234 HydrophobicContact CZ-CD1 4.24Å; F161-Y234 HydrophobicContact CZ-CD2 4.26Å; F161-Y234 AromaticContact CZ-CG 3.92Å; F161-Y234 HydrophobicContact CZ-CG 3.92Å |
| 162 | G | 92.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.6 | -33 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | I158 K160 D164 L165 | I158-G162 PolarHBondContact O-N 3.41Å; K160-G162 VanDerWaalsContact C-N 3.32Å; K160-G162 PolarHBondContact O-N 3.44Å; G162-D164 VanDerWaalsContact C-N 3.27Å; G162-D164 PolarHBondContact O-N 3.09Å; G162-L165 PolarHBondContact O-N 3.13Å |
| 163 | K | 90.6 | Very high | 92.9 | Very high | 148 Ų | 148 | 50.2 Ų | 50.2 | 64% | 0.643 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -70 | -25.3 | 179 | -73.1 | 172.9 | -178.4 | -179.9 | 0 | 113.2 | T159 K160 F161 | T159-K163 WeakPolarHBondContact O-CG 3.38Å; T159-K163 PolarHBondContact O-N 3.49Å; K160-K163 PolarHBondContact O-N 3.02Å; F161-K163 VanDerWaalsContact C-N 3.26Å; F161-K163 PolarHBondContact O-N 3.46Å |
| 164 | D | 90.7 | Very high | 92.9 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -87.8 | -10.6 | -178.8 | -69.6 | 5.7 | 0 | 0 | 0 | 111.4 | F161 G162 W219 Y220 R233 Y234 | F161-D164 PolarHBondContact O-N 2.93Å; F161-D164 VanDerWaalsContact O-N 3.15Å; G162-D164 VanDerWaalsContact C-N 3.27Å; G162-D164 PolarHBondContact O-N 3.09Å; D164-W219 CarbonylContact O-C 3.53Å; D164-W219 VanDerWaalsContact O-CA 3.3Å; D164-W219 WeakPolarHBondContact O-CA 3.33Å; D164-W219 VanDerWaalsContact O-CB 3.26Å; D164-W219 WeakPolarHBondContact O-CB 3.4Å; D164-Y220 PolarHBondContact O-N 3.14Å; D164-R233 IonicContact OD2-NE 3.02Å; D164-R233 PolarHBondContact OD2-NE 3.29Å; D164-Y234 WeakPolarHBondContact CB-OH 3.3Å; D164-Y234 PolarHBondContact OD2-OH 2.95Å; D164-Y234 VanDerWaalsContact OD2-OH 3.05Å |
| 165 | L | 90.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 134.7 | 178.3 | -60.8 | 177.5 | 0 | 0 | 0 | 111.5 | G162 I172 M209 I216 W230 | G162-L165 PolarHBondContact O-N 3.13Å; L165-I172 HydrophobicContact CB-CD1 4.27Å; L165-I172 WeakPolarHBondContact O-CD1 3.46Å; L165-M209 HydrophobicContact CD1-CE 3.5Å; L165-M209 VanDerWaalsContact CD1-CE 3.5Å; L165-M209 HydrophobicContact CD2-CE 4.36Å; L165-I216 HydrophobicContact CD2-CD1 3.79Å; L165-I216 HydrophobicContact CD2-CG1 4.41Å; L165-W230 HydrophobicContact CD2-CD2 4.27Å; L165-W230 HydrophobicContact CD2-CE3 4.15Å |
| 166 | N | 86.5 | Confident | 92.8 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 22% | 0.219 | 29% | 0.288 | C | S | . | . | trans | -92.4 | 137.3 | 169.4 | -73.1 | -22.6 | 0 | 0 | 0 | 110.6 | D218 Y220 | N166-D218 HydrophobicContact CB-CB 4.42Å; N166-D218 WeakPolarHBondContact CB-O 3.08Å; N166-D218 PolarHBondContact N-O 2.95Å; N166-D218 PolarHBondContact ND2-OD2 3Å; N166-Y220 WeakPolarHBondContact OD1-CD2 3.38Å; N166-Y220 WeakPolarHBondContact OD1-CE2 3.48Å | ||
| 167 | G | 84.7 | Confident | 92.8 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 161.9 | -177.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K169 | G167-K169 PolarHBondContact O-N 3.5Š|
| 168 | D | 89.5 | Confident | 92.8 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | trans | -62 | 133 | 171.7 | 178.8 | 73.5 | 0 | 0 | 0 | 110.3 | S170 E171 I172 | D168-S170 VanDerWaalsContact C-N 3.31Å; D168-S170 PolarHBondContact O-N 2.87Å; D168-S170 WeakPolarHBondContact OD2-CA 3.37Å; D168-S170 WeakPolarHBondContact OD2-CB 3.37Å; D168-S170 PolarHBondContact OD2-N 3.19Å; D168-E171 HydrophobicContact CB-CB 4.17Å; D168-E171 HydrophobicContact CB-CG 3.97Å; D168-E171 PolarHBondContact O-N 3.24Å; D168-E171 PolarHBondContact OD2-N 3.36Å; D168-E171 VanDerWaalsContact OD2-N 3.08Å; D168-I172 WeakPolarHBondContact O-CG1 3.27Å; D168-I172 PolarHBondContact O-N 3.2Å | ||
| 169 | K | 90.1 | Very high | 92.9 | Very high | 151 Ų | 151 | 56.1 Ų | 56.1 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.6 | -38.6 | -175.1 | -177.5 | 178.2 | 170.3 | -176.2 | 0 | 111.8 | G167 E171 I172 E173 | G167-K169 PolarHBondContact O-N 3.5Å; K169-E171 VanDerWaalsContact C-N 3.35Å; K169-I172 PolarHBondContact O-N 2.87Å; K169-E173 WeakPolarHBondContact CE-OE1 3.49Å; K169-E173 IonicContact NZ-OE1 3.34Å; K169-E173 WeakPolarHBondContact O-CB 3.28Å; K169-E173 VanDerWaalsContact O-CG 3.3Å; K169-E173 WeakPolarHBondContact O-CG 3.1Å; K169-E173 PolarHBondContact O-N 3.3Å |
| 170 | S | 91.9 | Very high | 93 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | 179.5 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | D168 M174 | D168-S170 VanDerWaalsContact C-N 3.31Å; D168-S170 PolarHBondContact O-N 2.87Å; D168-S170 WeakPolarHBondContact OD2-CA 3.37Å; D168-S170 WeakPolarHBondContact OD2-CB 3.37Å; D168-S170 PolarHBondContact OD2-N 3.19Å; S170-M174 WeakPolarHBondContact O-CB 3.32Å; S170-M174 PolarHBondContact O-N 3.21Å; S170-M174 VanDerWaalsContact O-N 3.08Å |
| 171 | E | 92.1 | Very high | 93.1 | Very high | 92 Ų | 92 | 57.1 Ų | 57.1 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 175.3 | -66.4 | -173.9 | 147 | 0 | 0 | 111.5 | D168 K169 M174 L175 F214 | D168-E171 HydrophobicContact CB-CB 4.17Å; D168-E171 HydrophobicContact CB-CG 3.97Å; D168-E171 PolarHBondContact O-N 3.24Å; D168-E171 PolarHBondContact OD2-N 3.36Å; D168-E171 VanDerWaalsContact OD2-N 3.08Å; K169-E171 VanDerWaalsContact C-N 3.35Å; E171-M174 WeakPolarHBondContact O-CB 3.48Å; E171-M174 PolarHBondContact O-N 3.26Å; E171-L175 VanDerWaalsContact O-CG 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.43Å; E171-L175 PolarHBondContact O-N 3.24Å; E171-F214 HydrophobicContact CB-CD2 4.21Å; E171-F214 HydrophobicContact CB-CE2 3.89Å; E171-F214 WeakPolarHBondContact OE2-CE2 3.43Å |
| 172 | I | 92.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 176.3 | -67 | 169.6 | 0 | 0 | 0 | 110.5 | L165 D168 K169 M174 L175 L176 F214 | L165-I172 HydrophobicContact CB-CD1 4.27Å; L165-I172 WeakPolarHBondContact O-CD1 3.46Å; D168-I172 WeakPolarHBondContact O-CG1 3.27Å; D168-I172 PolarHBondContact O-N 3.2Å; K169-I172 PolarHBondContact O-N 2.87Å; I172-M174 VanDerWaalsContact C-N 3.29Å; I172-M174 PolarHBondContact O-N 3Å; I172-L175 WeakPolarHBondContact O-CB 3.46Å; I172-L175 PolarHBondContact O-N 3.02Å; I172-L175 VanDerWaalsContact O-N 3.1Å; I172-L176 HydrophobicContact CG2-CD1 4.13Å; I172-L176 HydrophobicContact CG2-CG 4.26Å; I172-L176 VanDerWaalsContact O-CG 3.32Å; I172-L176 WeakPolarHBondContact O-CG 3.47Å; I172-L176 PolarHBondContact O-N 3.04Å; I172-F214 HydrophobicContact CG1-CZ 4.41Å |
| 173 | E | 94.1 | Very high | 93.5 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 177.2 | -76.8 | 175.6 | 178.5 | 0 | 0 | 112 | K169 L176 Q177 | K169-E173 WeakPolarHBondContact CE-OE1 3.49Å; K169-E173 IonicContact NZ-OE1 3.34Å; K169-E173 WeakPolarHBondContact O-CB 3.28Å; K169-E173 VanDerWaalsContact O-CG 3.3Å; K169-E173 WeakPolarHBondContact O-CG 3.1Å; K169-E173 PolarHBondContact O-N 3.3Å; E173-L176 PolarHBondContact O-N 2.58Å; E173-Q177 PolarHBondContact O-N 3.49Å |
| 174 | M | 94.9 | Very high | 93.7 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 174.7 | 179.7 | -178.2 | 58.2 | 0 | 0 | 112.3 | S170 E171 I172 Q177 M178 K212 | S170-M174 WeakPolarHBondContact O-CB 3.32Å; S170-M174 PolarHBondContact O-N 3.21Å; S170-M174 VanDerWaalsContact O-N 3.08Å; E171-M174 WeakPolarHBondContact O-CB 3.48Å; E171-M174 PolarHBondContact O-N 3.26Å; I172-M174 VanDerWaalsContact C-N 3.29Å; I172-M174 PolarHBondContact O-N 3Å; M174-Q177 PolarHBondContact O-N 2.64Å; M174-M178 WeakPolarHBondContact O-CG 3.42Å; M174-M178 PolarHBondContact O-N 3.02Å; M174-K212 HydrophobicContact CE-CD 3.63Å; M174-K212 HydrophobicContact CE-CG 4.03Å; M174-K212 HydrophobicContact SD-CD 3.99Å; M174-K212 WeakPolarHBondContact SD-CE 3.37Å; M174-K212 PolarHBondContact SD-NZ 3.15Å |
| 175 | L | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 176 | -70.7 | 171.6 | 0 | 0 | 0 | 111.6 | E171 I172 Q177 M178 A179 A208 M209 K212 F214 | E171-L175 VanDerWaalsContact O-CG 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.43Å; E171-L175 PolarHBondContact O-N 3.24Å; I172-L175 WeakPolarHBondContact O-CB 3.46Å; I172-L175 PolarHBondContact O-N 3.02Å; I172-L175 VanDerWaalsContact O-N 3.1Å; L175-Q177 VanDerWaalsContact C-N 3.32Å; L175-Q177 PolarHBondContact O-N 2.8Å; L175-M178 PolarHBondContact O-N 3.25Å; L175-A179 VanDerWaalsContact O-CB 3.3Å; L175-A179 WeakPolarHBondContact O-CB 3.32Å; L175-A179 PolarHBondContact O-N 2.86Å; L175-A208 HydrophobicContact CD2-CB 4.06Å; L175-M209 HydrophobicContact CD1-CG 4.07Å; L175-M209 HydrophobicContact CD2-CG 4.05Å; L175-K212 HydrophobicContact CD2-CB 3.99Å; L175-K212 HydrophobicContact CD2-CG 4.07Å; L175-F214 HydrophobicContact CD1-CB 4.07Å; L175-F214 HydrophobicContact CD1-CD1 3.54Å; L175-F214 HydrophobicContact CD1-CD2 3.86Å; L175-F214 HydrophobicContact CD1-CE1 3.81Å; L175-F214 HydrophobicContact CD1-CE2 4.13Å; L175-F214 HydrophobicContact CD1-CG 3.55Å; L175-F214 HydrophobicContact CD1-CZ 4.1Å; L175-F214 HydrophobicContact CD2-CB 4.18Å |
| 176 | L | 96.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 50.6 Ų | 50.6 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 178.2 | -63.2 | 179.4 | 0 | 0 | 0 | 111.6 | I158 I172 E173 A179 W180 L205 | I158-L176 HydrophobicContact CG2-CD2 3.89Å; I172-L176 HydrophobicContact CG2-CD1 4.13Å; I172-L176 HydrophobicContact CG2-CG 4.26Å; I172-L176 VanDerWaalsContact O-CG 3.32Å; I172-L176 WeakPolarHBondContact O-CG 3.47Å; I172-L176 PolarHBondContact O-N 3.04Å; E173-L176 PolarHBondContact O-N 2.58Å; L176-A179 PolarHBondContact O-N 3.33Å; L176-W180 VanDerWaalsContact O-CB 3.29Å; L176-W180 WeakPolarHBondContact O-CB 3.46Å; L176-W180 PolarHBondContact O-N 2.89Å; L176-L205 HydrophobicContact CD2-CD2 3.82Å |
| 177 | Q | 96.7 | Very high | 94.7 | Very high | 114 Ų | 114 | 48.9 Ų | 48.9 | 53% | 0.533 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 175.9 | -171.1 | 177.5 | 7.1 | 0 | 0 | 112.2 | E173 M174 L175 T181 | E173-Q177 PolarHBondContact O-N 3.49Å; M174-Q177 PolarHBondContact O-N 2.64Å; L175-Q177 VanDerWaalsContact C-N 3.32Å; L175-Q177 PolarHBondContact O-N 2.8Å; Q177-T181 PolarHBondContact O-N 3Å; Q177-T181 VanDerWaalsContact O-N 3.16Å; Q177-T181 PolarHBondContact O-OG1 3.14Å |
| 178 | M | 97.6 | Very high | 95.1 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 19% | 0.192 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -47.3 | 174.8 | -73.5 | -178.8 | 67.7 | 0 | 0 | 111.8 | M174 L175 W180 T181 F182 A208 L211 K212 | M174-M178 WeakPolarHBondContact O-CG 3.42Å; M174-M178 PolarHBondContact O-N 3.02Å; L175-M178 PolarHBondContact O-N 3.25Å; M178-W180 VanDerWaalsContact C-N 3.3Å; M178-W180 PolarHBondContact O-N 3.36Å; M178-T181 WeakPolarHBondContact O-CB 3.5Å; M178-T181 PolarHBondContact O-N 3.1Å; M178-T181 VanDerWaalsContact O-N 3.08Å; M178-F182 HydrophobicContact CB-CE2 4.1Å; M178-F182 HydrophobicContact CE-CE2 3.97Å; M178-F182 HydrophobicContact CE-CZ 4Å; M178-F182 VanDerWaalsContact O-CD2 3.24Å; M178-F182 WeakPolarHBondContact O-CD2 3.16Å; M178-F182 WeakPolarHBondContact O-CG 3.34Å; M178-F182 PolarHBondContact O-N 3.4Å; M178-A208 HydrophobicContact CB-CB 3.75Å; M178-L211 HydrophobicContact CE-CB 3.93Å; M178-L211 HydrophobicContact CE-CD1 4.08Å; M178-K212 HydrophobicContact CE-CG 4.24Å; M178-K212 HydrophobicContact SD-CD 3.92Å; M178-K212 WeakPolarHBondContact SD-CE 3.29Å; M178-K212 HydrophobicContact SD-CG 3.55Å; M178-K212 VanDerWaalsContact SD-CG 3.55Å |
| 179 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I158 L175 L176 T181 F182 A183 V204 L205 A208 | I158-A179 HydrophobicContact CD1-CB 4.45Å; I158-A179 HydrophobicContact CG2-CB 3.83Å; L175-A179 VanDerWaalsContact O-CB 3.3Å; L175-A179 WeakPolarHBondContact O-CB 3.32Å; L175-A179 PolarHBondContact O-N 2.86Å; L176-A179 PolarHBondContact O-N 3.33Å; A179-T181 VanDerWaalsContact C-N 3.32Å; A179-T181 PolarHBondContact O-N 2.66Å; A179-F182 PolarHBondContact O-N 3.06Å; A179-A183 WeakPolarHBondContact O-CB 3.31Å; A179-A183 PolarHBondContact O-N 2.9Å; A179-V204 HydrophobicContact CB-CB 4.35Å; A179-V204 HydrophobicContact CB-CG2 4.01Å; A179-V204 WeakPolarHBondContact O-CG2 3.38Å; A179-L205 HydrophobicContact CB-CD2 3.85Å; A179-L205 HydrophobicContact CB-CG 4.11Å; A179-A208 HydrophobicContact CB-CB 4.36Å |
| 180 | W | 97.3 | Very high | 95.7 | Very high | 76 Ų | 76 | 38.7 Ų | 38.7 | 29% | 0.288 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 173.7 | -169 | -71.2 | 0 | 0 | 0 | 112 | H155 L176 M178 A183 N184 | H155-W180 HydrophobicContact CB-CE3 4.15Å; H155-W180 HydrophobicContact CB-CH2 3.66Å; H155-W180 HydrophobicContact CB-CZ2 4.08Å; H155-W180 HydrophobicContact CB-CZ3 3.7Å; H155-W180 AromaticContact CD2-CD1 3.96Å; H155-W180 AromaticContact CD2-CD2 3.5Å; H155-W180 AromaticContact CD2-CE2 3.33Å; H155-W180 AromaticContact CD2-CE3 3.92Å; H155-W180 AromaticContact CD2-CG 3.9Å; H155-W180 AromaticContact CD2-CZ2 3.63Å; H155-W180 AromaticContact CD2-NE1 3.63Å; L176-W180 VanDerWaalsContact O-CB 3.29Å; L176-W180 WeakPolarHBondContact O-CB 3.46Å; L176-W180 PolarHBondContact O-N 2.89Å; M178-W180 VanDerWaalsContact C-N 3.3Å; M178-W180 PolarHBondContact O-N 3.36Å; W180-A183 WeakPolarHBondContact O-CB 3.3Å; W180-A183 PolarHBondContact O-N 3.36Å; W180-N184 PolarHBondContact O-N 3.46Å; W180-N184 VanDerWaalsContact O-N 3.1Å; W180-N184 PolarHBondContact O-OD1 3.18Å |
| 181 | T | 96.9 | Very high | 96 | Very high | 62 Ų | 62 | 35 Ų | 35 | 38% | 0.38 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63 | -48.7 | 177.1 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | Q177 M178 A179 A183 N184 D185 | Q177-T181 PolarHBondContact O-N 3Å; Q177-T181 VanDerWaalsContact O-N 3.16Å; Q177-T181 PolarHBondContact O-OG1 3.14Å; M178-T181 WeakPolarHBondContact O-CB 3.5Å; M178-T181 PolarHBondContact O-N 3.1Å; M178-T181 VanDerWaalsContact O-N 3.08Å; A179-T181 VanDerWaalsContact C-N 3.32Å; A179-T181 PolarHBondContact O-N 2.66Å; T181-A183 VanDerWaalsContact C-N 3.27Å; T181-A183 PolarHBondContact O-N 2.9Å; T181-N184 WeakPolarHBondContact O-CA 3.34Å; T181-N184 VanDerWaalsContact O-CB 3.27Å; T181-N184 WeakPolarHBondContact O-CB 3.48Å; T181-N184 PolarHBondContact O-N 2.96Å; T181-D185 PolarHBondContact O-N 2.64Å |
| 182 | F | 97.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -32.9 | 176.6 | -63.2 | -42.4 | 0 | 0 | 0 | 113.2 | M178 A179 N184 D185 S186 V204 L207 A208 L211 I250 | M178-F182 HydrophobicContact CB-CE2 4.1Å; M178-F182 HydrophobicContact CE-CE2 3.97Å; M178-F182 HydrophobicContact CE-CZ 4Å; M178-F182 VanDerWaalsContact O-CD2 3.24Å; M178-F182 WeakPolarHBondContact O-CD2 3.16Å; M178-F182 WeakPolarHBondContact O-CG 3.34Å; M178-F182 PolarHBondContact O-N 3.4Å; A179-F182 PolarHBondContact O-N 3.06Å; F182-N184 VanDerWaalsContact C-N 3.32Å; F182-D185 PolarHBondContact O-N 3.04Å; F182-S186 WeakPolarHBondContact O-CB 3.36Å; F182-S186 PolarHBondContact O-N 3.32Å; F182-V204 HydrophobicContact CB-CB 3.89Å; F182-V204 HydrophobicContact CB-CG1 3.7Å; F182-L207 HydrophobicContact CB-CD2 4.41Å; F182-L207 HydrophobicContact CD1-CD2 4.05Å; F182-L207 HydrophobicContact CD2-CB 4.25Å; F182-L207 HydrophobicContact CD2-CD2 3.81Å; F182-L207 HydrophobicContact CD2-CG 3.94Å; F182-L207 HydrophobicContact CE1-CD2 4.28Å; F182-L207 HydrophobicContact CE2-CB 4.44Å; F182-L207 HydrophobicContact CE2-CD2 4.05Å; F182-L207 HydrophobicContact CE2-CG 3.85Å; F182-L207 HydrophobicContact CG-CD2 3.83Å; F182-L207 HydrophobicContact CG-CG 4.47Å; F182-L207 HydrophobicContact CZ-CD2 4.3Å; F182-L207 HydrophobicContact CZ-CG 4.31Å; F182-A208 HydrophobicContact CD2-CB 4.47Å; F182-A208 HydrophobicContact CE2-CB 4.23Å; F182-L211 HydrophobicContact CE1-CD1 4.32Å; F182-L211 HydrophobicContact CE2-CD1 3.8Å; F182-L211 HydrophobicContact CZ-CD1 3.35Å; F182-I250 HydrophobicContact CB-CG2 4.26Å; F182-I250 HydrophobicContact CD1-CG2 4.2Å |
| 183 | A | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P154 I158 A179 W180 T181 D185 S186 V204 | P154-A183 HydrophobicContact CG-CB 3.96Å; I158-A183 HydrophobicContact CD1-CB 3.67Å; A179-A183 WeakPolarHBondContact O-CB 3.31Å; A179-A183 PolarHBondContact O-N 2.9Å; W180-A183 WeakPolarHBondContact O-CB 3.3Å; W180-A183 PolarHBondContact O-N 3.36Å; T181-A183 VanDerWaalsContact C-N 3.27Å; T181-A183 PolarHBondContact O-N 2.9Å; A183-D185 VanDerWaalsContact C-N 3.34Å; A183-S186 PolarHBondContact O-N 3.45Å; A183-S186 PolarHBondContact O-OG 3.2Å; A183-V204 HydrophobicContact CB-CG2 4.43Å |
| 184 | N | 95.3 | Very high | 96.5 | Very high | 19 Ų | 19 | 27.9 Ų | 27.9 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 172.6 | -61.8 | -16.1 | 0 | 0 | 0 | 112 | Y48 H155 W180 T181 F182 S186 L187 | Y48-N184 WeakPolarHBondContact CE2-OD1 3.45Å; Y48-N184 PolarHBondContact OH-OD1 3.02Å; H155-N184 PolarHBondContact NE2-OD1 3.13Å; W180-N184 PolarHBondContact O-N 3.46Å; W180-N184 VanDerWaalsContact O-N 3.1Å; W180-N184 PolarHBondContact O-OD1 3.18Å; T181-N184 WeakPolarHBondContact O-CA 3.34Å; T181-N184 VanDerWaalsContact O-CB 3.27Å; T181-N184 WeakPolarHBondContact O-CB 3.48Å; T181-N184 PolarHBondContact O-N 2.96Å; F182-N184 VanDerWaalsContact C-N 3.32Å; N184-S186 VanDerWaalsContact C-N 3.32Å; N184-L187 WeakPolarHBondContact O-CB 3.29Å; N184-L187 PolarHBondContact O-N 3.47Å |
| 185 | D | 95.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 27.2 Ų | 27.2 | 17% | 0.166 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.6 | -32 | 179.4 | -57 | -34.2 | 0 | 0 | 0 | 111.8 | T181 F182 A183 L187 C188 I250 Y254 | T181-D185 PolarHBondContact O-N 2.64Å; F182-D185 PolarHBondContact O-N 3.04Å; A183-D185 VanDerWaalsContact C-N 3.34Å; D185-L187 PolarHBondContact O-N 3.04Å; D185-C188 VanDerWaalsContact O-CB 3.32Å; D185-C188 WeakPolarHBondContact O-CB 3.39Å; D185-C188 PolarHBondContact O-N 3.5Å; D185-I250 HydrophobicContact CB-CG2 4.26Å; D185-Y254 PolarHBondContact OD2-OH 3.3Å |
| 186 | S | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.3 | -27.5 | 175.7 | 81.8 | 0 | 0 | 0 | 0 | 112.5 | F182 A183 N184 C188 T189 | F182-S186 WeakPolarHBondContact O-CB 3.36Å; F182-S186 PolarHBondContact O-N 3.32Å; A183-S186 PolarHBondContact O-N 3.45Å; A183-S186 PolarHBondContact O-OG 3.2Å; N184-S186 VanDerWaalsContact C-N 3.32Å; S186-C188 PolarHBondContact O-N 2.94Å; S186-T189 WeakPolarHBondContact O-CB 3.4Å; S186-T189 PolarHBondContact O-N 3.43Å; S186-T189 PolarHBondContact O-OG1 3.05Å |
| 187 | L | 96.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.9 | 175 | -64.6 | 173 | 0 | 0 | 0 | 113.1 | Y48 A52 T55 V56 H59 N184 D185 T189 | Y48-L187 WeakPolarHBondContact OH-CD1 3.28Å; A52-L187 HydrophobicContact CB-CD1 3.7Å; T55-L187 HydrophobicContact CG2-CB 3.94Å; T55-L187 HydrophobicContact CG2-CD2 4.42Å; T55-L187 WeakPolarHBondContact CG2-O 3.33Å; V56-L187 HydrophobicContact CG2-CD2 4.11Å; H59-L187 PolarHBondContact NE2-O 3.26Å; H59-L187 VanDerWaalsContact NE2-O 3.13Å; N184-L187 WeakPolarHBondContact O-CB 3.29Å; N184-L187 PolarHBondContact O-N 3.47Å; D185-L187 PolarHBondContact O-N 3.04Å; L187-T189 PolarHBondContact O-N 3.46Å |
| 188 | C | 93.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 28.6 Ų | 28.6 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.3 | 173 | -62 | 0 | 0 | 0 | 0 | 112.6 | R31 D185 S186 V253 | R31-C188 WeakPolarHBondContact CG-O 3.2Å; D185-C188 VanDerWaalsContact O-CB 3.32Å; D185-C188 WeakPolarHBondContact O-CB 3.39Å; D185-C188 PolarHBondContact O-N 3.5Å; S186-C188 PolarHBondContact O-N 2.94Å; C188-V253 HydrophobicContact CB-CG1 4.42Å |
| 189 | T | 95.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 27.4 Ų | 27.4 | 9% | 0.092 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 176.5 | 178.9 | 78.2 | 0 | 0 | 0 | 0 | 110.1 | H59 S186 L187 L191 V253 | H59-T189 PolarHBondContact CE1-O 3.45Å; H59-T189 VanDerWaalsContact CE1-O 3.27Å; H59-T189 PolarHBondContact NE2-O 3.26Å; S186-T189 WeakPolarHBondContact O-CB 3.4Å; S186-T189 PolarHBondContact O-N 3.43Å; S186-T189 PolarHBondContact O-OG1 3.05Å; L187-T189 PolarHBondContact O-N 3.46Å; T189-L191 VanDerWaalsContact C-N 3.26Å; T189-L191 PolarHBondContact O-N 3.45Å; T189-L191 VanDerWaalsContact OG1-CB 3.31Å; T189-L191 WeakPolarHBondContact OG1-CB 3.42Å; T189-L191 WeakPolarHBondContact OG1-CD1 3.3Å; T189-L191 WeakPolarHBondContact OG1-CG 3.49Å; T189-L191 PolarHBondContact OG1-N 2.73Å; T189-L191 VanDerWaalsContact OG1-N 3.09Å; T189-V253 HydrophobicContact CG2-CG2 3.51Å |
| 190 | T | 96.4 | Very high | 96.6 | Very high | 33 Ų | 33 | 27.6 Ų | 27.6 | 20% | 0.202 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 15.7 | 172.6 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | L11 C192 L193 Q194 | L11-T190 HydrophobicContact CD2-CG2 4.32Å; T190-C192 VanDerWaalsContact C-N 3.27Å; T190-C192 PolarHBondContact O-N 3.22Å; T190-L193 HydrophobicContact CG2-CD1 4.13Å; T190-L193 WeakPolarHBondContact O-CA 3.5Å; T190-L193 VanDerWaalsContact O-CB 3.3Å; T190-L193 WeakPolarHBondContact O-CB 3.33Å; T190-L193 PolarHBondContact O-N 3.24Å; T190-Q194 PolarHBondContact O-N 3.45Å; T190-Q194 PolarHBondContact O-NE2 2.69Å; T190-Q194 PolarHBondContact OG1-NE2 2.86Å; T190-Q194 VanDerWaalsContact OG1-NE2 3.13Å |
| 191 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -59.4 | -35.5 | -177.1 | -76.8 | 169.9 | 0 | 0 | 0 | 113.2 | T189 L193 Q194 W195 I200 I246 Q249 I250 | T189-L191 VanDerWaalsContact C-N 3.26Å; T189-L191 PolarHBondContact O-N 3.45Å; T189-L191 VanDerWaalsContact OG1-CB 3.31Å; T189-L191 WeakPolarHBondContact OG1-CB 3.42Å; T189-L191 WeakPolarHBondContact OG1-CD1 3.3Å; T189-L191 WeakPolarHBondContact OG1-CG 3.49Å; T189-L191 PolarHBondContact OG1-N 2.73Å; T189-L191 VanDerWaalsContact OG1-N 3.09Å; L191-L193 PolarHBondContact O-N 3.25Å; L191-L193 VanDerWaalsContact O-N 3.15Å; L191-Q194 PolarHBondContact O-N 3.31Å; L191-W195 PolarHBondContact O-N 3.47Å; L191-I200 HydrophobicContact CB-CD1 4.25Å; L191-I246 HydrophobicContact CD1-CG2 3.86Å; L191-I246 HydrophobicContact CD2-CB 4.26Å; L191-I246 HydrophobicContact CD2-CG1 4.03Å; L191-I246 HydrophobicContact CD2-CG2 3.88Å; L191-Q249 HydrophobicContact CD1-CB 4.29Å; L191-Q249 HydrophobicContact CD2-CB 4.33Å; L191-Q249 HydrophobicContact CG-CB 4.4Å; L191-I250 HydrophobicContact CD1-CD1 4.05Å; L191-I250 HydrophobicContact CD1-CG1 3.53Å |
| 192 | C | 96.8 | Very high | 96.7 | Very high | 21 Ų | 21 | 21 Ų | 21 | 14% | 0.142 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -62.9 | -17.5 | 174.3 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | V56 T190 | V56-C192 HydrophobicContact CG2-CB 4.05Å; T190-C192 VanDerWaalsContact C-N 3.27Å; T190-C192 PolarHBondContact O-N 3.22Å |
| 193 | L | 96.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -92.8 | -13.1 | 173.4 | -58.5 | 176.6 | 0 | 0 | 0 | 112.6 | L5 F6 L11 H59 H60 M63 T190 L191 | L5-L193 CarbonylContact C-O 3.2Å; L5-L193 VanDerWaalsContact CA-O 3.27Å; L5-L193 WeakPolarHBondContact CA-O 3.29Å; F6-L193 HydrophobicContact CD2-CB 4.13Å; F6-L193 HydrophobicContact CD2-CD2 4.25Å; F6-L193 HydrophobicContact CE2-CD2 4.17Å; F6-L193 PolarHBondContact N-O 2.84Å; L11-L193 HydrophobicContact CD2-CB 4.33Å; L11-L193 HydrophobicContact CD2-CD1 3.92Å; H59-L193 HydrophobicContact CB-CD1 3.98Å; H59-L193 HydrophobicContact CB-CD2 4.04Å; H59-L193 HydrophobicContact CB-CG 3.99Å; H60-L193 WeakPolarHBondContact CD2-CD2 3.16Å; M63-L193 HydrophobicContact CG-CD1 3.74Å; M63-L193 HydrophobicContact CG-CD2 4.18Å; M63-L193 HydrophobicContact SD-CD1 3.81Å; T190-L193 HydrophobicContact CG2-CD1 4.13Å; T190-L193 WeakPolarHBondContact O-CA 3.5Å; T190-L193 VanDerWaalsContact O-CB 3.3Å; T190-L193 WeakPolarHBondContact O-CB 3.33Å; T190-L193 PolarHBondContact O-N 3.24Å; L191-L193 PolarHBondContact O-N 3.25Å; L191-L193 VanDerWaalsContact O-N 3.15Å |
| 194 | Q | 96.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 20.4 Ų | 20.4 | 9% | 0.093 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -37.8 | -172.9 | -70.7 | 178.4 | 73.2 | 0 | 0 | 112.1 | L11 T190 L191 | L11-Q194 HydrophobicContact CD1-CG 3.19Å; T190-Q194 PolarHBondContact O-N 3.45Å; T190-Q194 PolarHBondContact O-NE2 2.69Å; T190-Q194 PolarHBondContact OG1-NE2 2.86Å; T190-Q194 VanDerWaalsContact OG1-NE2 3.13Å; L191-Q194 PolarHBondContact O-N 3.31Å |
| 195 | W | 96.4 | Very high | 96.8 | Very high | 54 Ų | 54 | 19.5 Ų | 19.5 | 21% | 0.205 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -135.3 | 147.6 | -168.4 | -57.8 | 110.5 | 0 | 0 | 0 | 112.2 | L191 I199 I200 L242 I246 | L191-W195 PolarHBondContact O-N 3.47Å; W195-I199 HydrophobicContact CB-CB 4.26Å; W195-I199 HydrophobicContact CB-CG2 4.19Å; W195-I199 HydrophobicContact CD2-CG2 4.37Å; W195-I199 HydrophobicContact CE3-CD1 4.02Å; W195-I199 HydrophobicContact CE3-CG2 4.31Å; W195-I199 HydrophobicContact CG-CG2 4.34Å; W195-I200 HydrophobicContact CB-CD1 4.45Å; W195-I200 HydrophobicContact CB-CG1 3.95Å; W195-L242 HydrophobicContact CD2-CD2 4.22Å; W195-L242 HydrophobicContact CE3-CD1 4.43Å; W195-L242 HydrophobicContact CE3-CD2 4.24Å; W195-L242 HydrophobicContact CH2-CD1 3.3Å; W195-L242 HydrophobicContact CH2-CD2 3.87Å; W195-L242 HydrophobicContact CH2-CG 3.49Å; W195-L242 VanDerWaalsContact CH2-CG 3.49Å; W195-L242 HydrophobicContact CZ2-CD1 4.03Å; W195-L242 HydrophobicContact CZ2-CD2 3.81Å; W195-L242 HydrophobicContact CZ2-CG 3.66Å; W195-L242 HydrophobicContact CZ3-CD1 3.55Å; W195-L242 HydrophobicContact CZ3-CD2 4.08Å; W195-L242 HydrophobicContact CZ3-CG 4.05Å; W195-I246 HydrophobicContact CB-CD1 4.48Å; W195-I246 HydrophobicContact CD2-CD1 4.13Å; W195-I246 HydrophobicContact CG-CD1 3.8Å; W195-I246 HydrophobicContact CG-CG1 4.36Å |
| 196 | E | 95.5 | Very high | 96.9 | Very high | 86 Ų | 86 | 18.9 Ų | 18.9 | 40% | 0.402 | 10% | 0.097 | S | C | . | . | trans | -58.4 | 146.7 | 169.3 | -68.3 | 84.4 | 172.1 | 0 | 0 | 111.3 | L5 E198 I199 I200 | L5-E196 HydrophobicContact CD1-CG 3.83Å; L5-E196 VanDerWaalsContact CD1-OE1 3.29Å; L5-E196 WeakPolarHBondContact CD1-OE1 3.48Å; L5-E196 WeakPolarHBondContact CD1-OE2 3.48Å; E196-E198 PolarHBondContact O-N 3.16Å; E196-E198 VanDerWaalsContact O-N 3.16Å; E196-I199 HydrophobicContact CB-CG1 4.42Å; E196-I199 PolarHBondContact O-N 3.28Å; E196-I199 WeakPolarHBondContact OE2-CD1 3.38Å; E196-I200 PolarHBondContact O-N 3.43Å; E196-I200 VanDerWaalsContact O-N 3.1Å | ||
| 197 | P | 96.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 19 Ų | 19 | 18% | 0.175 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.3 | -28.8 | -178.6 | 23.1 | -32.7 | 0 | 0 | 0 | 113.2 | V152 P154 F157 I200 A201 | V152-P197 HydrophobicContact CB-CG 4.09Å; V152-P197 HydrophobicContact CG1-CG 3.84Å; P154-P197 HydrophobicContact CB-CB 4.45Å; P154-P197 WeakPolarHBondContact CB-O 3.37Å; F157-P197 HydrophobicContact CD2-CB 4.09Å; F157-P197 HydrophobicContact CD2-CG 4.48Å; F157-P197 HydrophobicContact CE2-CB 3.82Å; F157-P197 HydrophobicContact CE2-CG 3.75Å; P197-I200 PolarHBondContact O-N 3.45Å; P197-A201 WeakPolarHBondContact O-CB 3.28Å; P197-A201 PolarHBondContact O-N 3.15Å |
| 198 | E | 96.8 | Very high | 96.9 | Very high | 67 Ų | 67 | 18.8 Ų | 18.8 | 31% | 0.313 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 172.2 | -66 | 85.8 | 164.5 | 0 | 0 | 112.1 | F157 F161 E196 A201 I202 | F157-E198 HydrophobicContact CD1-CG 3.72Å; F157-E198 HydrophobicContact CD2-CG 4.27Å; F157-E198 HydrophobicContact CE1-CG 3.53Å; F157-E198 WeakPolarHBondContact CE1-OE1 3.31Å; F157-E198 HydrophobicContact CE2-CG 4.1Å; F157-E198 HydrophobicContact CG-CG 4.08Å; F157-E198 VanDerWaalsContact CZ-CD 3.41Å; F157-E198 HydrophobicContact CZ-CG 3.72Å; F157-E198 WeakPolarHBondContact CZ-OE1 3.37Å; F161-E198 HydrophobicContact CZ-CB 4.39Å; F161-E198 HydrophobicContact CZ-CG 4.47Å; E196-E198 PolarHBondContact O-N 3.16Å; E196-E198 VanDerWaalsContact O-N 3.16Å; E198-A201 PolarHBondContact O-N 3.33Å; E198-I202 WeakPolarHBondContact O-CD1 3.49Å; E198-I202 WeakPolarHBondContact O-CG1 3.23Å; E198-I202 PolarHBondContact O-N 3.08Å |
| 199 | I | 97.7 | Very high | 97 | Very high | 15 Ų | 15 | 18 Ų | 18 | 8% | 0.077 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 179.3 | -62.7 | -179.5 | 0 | 0 | 0 | 109.9 | W195 E196 A201 I202 A203 V235 L238 L242 I246 | W195-I199 HydrophobicContact CB-CB 4.26Å; W195-I199 HydrophobicContact CB-CG2 4.19Å; W195-I199 HydrophobicContact CD2-CG2 4.37Å; W195-I199 HydrophobicContact CE3-CD1 4.02Å; W195-I199 HydrophobicContact CE3-CG2 4.31Å; W195-I199 HydrophobicContact CG-CG2 4.34Å; E196-I199 HydrophobicContact CB-CG1 4.42Å; E196-I199 PolarHBondContact O-N 3.28Å; E196-I199 WeakPolarHBondContact OE2-CD1 3.38Å; I199-A201 VanDerWaalsContact C-N 3.32Å; I199-A201 PolarHBondContact O-N 2.89Å; I199-I202 PolarHBondContact O-N 3.29Å; I199-A203 WeakPolarHBondContact O-CB 3.39Å; I199-A203 PolarHBondContact O-N 2.52Å; I199-V235 HydrophobicContact CG1-CG1 4.46Å; I199-V235 HydrophobicContact CG1-CG2 4.43Å; I199-L238 HydrophobicContact CG2-CD1 4.09Å; I199-L242 HydrophobicContact CG2-CD2 3.96Å; I199-I246 HydrophobicContact CG2-CD1 3.69Å |
| 200 | I | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 175.3 | -60.9 | 174.5 | 0 | 0 | 0 | 110.1 | P154 L191 W195 E196 P197 I202 A203 V204 | P154-I200 HydrophobicContact CB-CB 4.17Å; P154-I200 HydrophobicContact CB-CG2 4Å; P154-I200 HydrophobicContact CG-CG2 4.15Å; L191-I200 HydrophobicContact CB-CD1 4.25Å; W195-I200 HydrophobicContact CB-CD1 4.45Å; W195-I200 HydrophobicContact CB-CG1 3.95Å; E196-I200 PolarHBondContact O-N 3.43Å; E196-I200 VanDerWaalsContact O-N 3.1Å; P197-I200 PolarHBondContact O-N 3.45Å; I200-I202 PolarHBondContact O-N 3.05Å; I200-A203 PolarHBondContact O-N 3.46Å; I200-V204 HydrophobicContact CG2-CG1 4.45Å; I200-V204 WeakPolarHBondContact O-CG2 3.24Å; I200-V204 PolarHBondContact O-N 2.93Å |
| 201 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P154 F157 I158 F161 P197 E198 I199 V204 L205 | P154-A201 HydrophobicContact CB-CB 4.17Å; F157-A201 HydrophobicContact CB-CB 3.57Å; I158-A201 HydrophobicContact CG1-CB 3.83Å; F161-A201 HydrophobicContact CD2-CB 4.28Å; F161-A201 HydrophobicContact CE2-CB 4.04Å; P197-A201 WeakPolarHBondContact O-CB 3.28Å; P197-A201 PolarHBondContact O-N 3.15Å; E198-A201 PolarHBondContact O-N 3.33Å; I199-A201 VanDerWaalsContact C-N 3.32Å; I199-A201 PolarHBondContact O-N 2.89Å; A201-V204 VanDerWaalsContact O-CG2 3.23Å; A201-V204 WeakPolarHBondContact O-CG2 3.46Å; A201-L205 WeakPolarHBondContact O-CB 3.33Å; A201-L205 WeakPolarHBondContact O-CG 3.19Å; A201-L205 PolarHBondContact O-N 3.46Å; A201-L205 VanDerWaalsContact O-N 3.16Å |
| 202 | I | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | 174.3 | -68.6 | 158.5 | 0 | 0 | 0 | 110.6 | F161 E198 I199 I200 V204 L205 Y206 W230 W231 V235 L238 L243 | F161-I202 HydrophobicContact CD2-CG1 4.03Å; F161-I202 HydrophobicContact CE2-CD1 4.26Å; F161-I202 HydrophobicContact CE2-CG1 3.78Å; E198-I202 WeakPolarHBondContact O-CD1 3.49Å; E198-I202 WeakPolarHBondContact O-CG1 3.23Å; E198-I202 PolarHBondContact O-N 3.08Å; I199-I202 PolarHBondContact O-N 3.29Å; I200-I202 PolarHBondContact O-N 3.05Å; I202-V204 PolarHBondContact O-N 3.39Å; I202-L205 PolarHBondContact O-N 2.76Å; I202-Y206 VanDerWaalsContact O-CB 3.29Å; I202-Y206 WeakPolarHBondContact O-CB 3.47Å; I202-Y206 PolarHBondContact O-N 3.35Å; I202-W230 HydrophobicContact CB-CH2 4.31Å; I202-W230 HydrophobicContact CG1-CH2 4.23Å; I202-W230 HydrophobicContact CG1-CZ3 4.43Å; I202-W230 HydrophobicContact CG2-CH2 4Å; I202-W230 HydrophobicContact CG2-CZ2 4.17Å; I202-W231 HydrophobicContact CB-CB 4.48Å; I202-W231 HydrophobicContact CD1-CB 4.02Å; I202-W231 HydrophobicContact CG1-CB 4.11Å; I202-W231 HydrophobicContact CG2-CB 3.51Å; I202-W231 HydrophobicContact CG2-CD2 4.18Å; I202-W231 HydrophobicContact CG2-CE3 4.29Å; I202-W231 HydrophobicContact CG2-CG 3.86Å; I202-V235 HydrophobicContact CD1-CB 4.22Å; I202-V235 HydrophobicContact CD1-CG2 3.6Å; I202-L238 HydrophobicContact CB-CD2 4.3Å; I202-L238 HydrophobicContact CD1-CD2 3.79Å; I202-L238 HydrophobicContact CG2-CD2 3.89Å; I202-L243 HydrophobicContact CG2-CD1 4.22Å; I202-L243 HydrophobicContact CG2-CD2 3.83Å |
| 203 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I199 I200 Y206 L207 L243 I246 | I199-A203 WeakPolarHBondContact O-CB 3.39Å; I199-A203 PolarHBondContact O-N 2.52Å; I200-A203 PolarHBondContact O-N 3.46Å; A203-Y206 PolarHBondContact O-N 2.87Å; A203-L207 WeakPolarHBondContact O-CB 3.46Å; A203-L207 PolarHBondContact O-N 2.94Å; A203-L243 HydrophobicContact CB-CD2 4.02Å; A203-I246 HydrophobicContact CB-CB 3.84Å; A203-I246 HydrophobicContact CB-CD1 3.98Å; A203-I246 HydrophobicContact CB-CG2 3.48Å; A203-I246 VanDerWaalsContact CB-CG2 3.48Å |
| 204 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.8 | -32.7 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | I158 A179 F182 A183 I200 A201 I202 A208 I250 | I158-V204 HydrophobicContact CD1-CG2 3.67Å; I158-V204 HydrophobicContact CG1-CG2 3.99Å; A179-V204 HydrophobicContact CB-CB 4.35Å; A179-V204 HydrophobicContact CB-CG2 4.01Å; A179-V204 WeakPolarHBondContact O-CG2 3.38Å; F182-V204 HydrophobicContact CB-CB 3.89Å; F182-V204 HydrophobicContact CB-CG1 3.7Å; A183-V204 HydrophobicContact CB-CG2 4.43Å; I200-V204 HydrophobicContact CG2-CG1 4.45Å; I200-V204 WeakPolarHBondContact O-CG2 3.24Å; I200-V204 PolarHBondContact O-N 2.93Å; A201-V204 VanDerWaalsContact O-CG2 3.23Å; A201-V204 WeakPolarHBondContact O-CG2 3.46Å; I202-V204 PolarHBondContact O-N 3.39Å; V204-A208 WeakPolarHBondContact O-CB 3.42Å; V204-A208 PolarHBondContact O-N 2.97Å; V204-I250 HydrophobicContact CG1-CD1 3.64Å |
| 205 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -47.9 | 170.2 | -81.1 | 168.5 | 0 | 0 | 0 | 110.7 | I158 F161 L176 A179 A201 I202 L207 A208 M209 W230 | I158-L205 HydrophobicContact CG2-CD2 4.21Å; I158-L205 HydrophobicContact CG2-CG 4.37Å; F161-L205 HydrophobicContact CB-CD1 3.86Å; F161-L205 HydrophobicContact CD2-CD1 4.27Å; L176-L205 HydrophobicContact CD2-CD2 3.82Å; A179-L205 HydrophobicContact CB-CD2 3.85Å; A179-L205 HydrophobicContact CB-CG 4.11Å; A201-L205 WeakPolarHBondContact O-CB 3.33Å; A201-L205 WeakPolarHBondContact O-CG 3.19Å; A201-L205 PolarHBondContact O-N 3.46Å; A201-L205 VanDerWaalsContact O-N 3.16Å; I202-L205 PolarHBondContact O-N 2.76Å; L205-L207 VanDerWaalsContact C-N 3.32Å; L205-L207 PolarHBondContact O-N 3.09Å; L205-A208 PolarHBondContact O-N 3.2Å; L205-M209 HydrophobicContact CB-CE 4.05Å; L205-M209 HydrophobicContact CD2-CE 4.28Å; L205-M209 WeakPolarHBondContact O-CG 2.81Å; L205-M209 PolarHBondContact O-N 3.36Å; L205-W230 HydrophobicContact CB-CH2 3.77Å; L205-W230 HydrophobicContact CB-CZ2 3.94Å; L205-W230 HydrophobicContact CD1-CH2 3.7Å; L205-W230 HydrophobicContact CD1-CZ3 4.22Å; L205-W230 HydrophobicContact CG-CH2 4.39Å |
| 206 | Y | 96.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 175 | 173 | -101.9 | 0 | 0 | 0 | 111.7 | I202 A203 M209 R210 W231 V240 L243 E244 | I202-Y206 VanDerWaalsContact O-CB 3.29Å; I202-Y206 WeakPolarHBondContact O-CB 3.47Å; I202-Y206 PolarHBondContact O-N 3.35Å; A203-Y206 PolarHBondContact O-N 2.87Å; Y206-M209 PolarHBondContact O-N 3.16Å; Y206-R210 HydrophobicContact CD1-CG 4.37Å; Y206-R210 HydrophobicContact CD2-CG 4.39Å; Y206-R210 HydrophobicContact CE1-CG 4.05Å; Y206-R210 HydrophobicContact CE2-CG 4.05Å; Y206-R210 VanDerWaalsContact CZ-NE 3.31Å; Y206-R210 WeakPolarHBondContact O-CB 3.32Å; Y206-R210 VanDerWaalsContact O-CG 3.29Å; Y206-R210 WeakPolarHBondContact O-CG 3.43Å; Y206-R210 PolarHBondContact O-N 2.94Å; Y206-R210 VanDerWaalsContact OH-CZ 3.27Å; Y206-R210 PolarHBondContact OH-NE 3.44Å; Y206-R210 PolarHBondContact OH-NH2 2.85Å; Y206-W231 HydrophobicContact CD2-CH2 4.16Å; Y206-W231 AromaticContact CD2-CZ3 3.8Å; Y206-W231 HydrophobicContact CD2-CZ3 3.8Å; Y206-W231 HydrophobicContact CE2-CH2 4.22Å; Y206-W231 HydrophobicContact CE2-CZ3 4.3Å; Y206-V240 WeakPolarHBondContact OH-CG1 3.37Å; Y206-L243 HydrophobicContact CD1-CB 3.87Å; Y206-L243 HydrophobicContact CD1-CD1 4.4Å; Y206-L243 HydrophobicContact CD2-CD1 4.27Å; Y206-L243 HydrophobicContact CE1-CB 4.04Å; Y206-L243 HydrophobicContact CG-CB 4.39Å; Y206-L243 HydrophobicContact CG-CD1 4.1Å; Y206-E244 HydrophobicContact CE1-CG 3.97Å; Y206-E244 PolarHBondContact OH-OE1 3.48Å |
| 207 | L | 97.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -49.1 | 174.7 | -177.1 | 53.4 | 0 | 0 | 0 | 111.7 | F182 A203 L205 M209 R210 L211 C247 I250 L251 | F182-L207 HydrophobicContact CB-CD2 4.41Å; F182-L207 HydrophobicContact CD1-CD2 4.05Å; F182-L207 HydrophobicContact CD2-CB 4.25Å; F182-L207 HydrophobicContact CD2-CD2 3.81Å; F182-L207 HydrophobicContact CD2-CG 3.94Å; F182-L207 HydrophobicContact CE1-CD2 4.28Å; F182-L207 HydrophobicContact CE2-CB 4.44Å; F182-L207 HydrophobicContact CE2-CD2 4.05Å; F182-L207 HydrophobicContact CE2-CG 3.85Å; F182-L207 HydrophobicContact CG-CD2 3.83Å; F182-L207 HydrophobicContact CG-CG 4.47Å; F182-L207 HydrophobicContact CZ-CD2 4.3Å; F182-L207 HydrophobicContact CZ-CG 4.31Å; A203-L207 WeakPolarHBondContact O-CB 3.46Å; A203-L207 PolarHBondContact O-N 2.94Å; L205-L207 VanDerWaalsContact C-N 3.32Å; L205-L207 PolarHBondContact O-N 3.09Å; L207-M209 VanDerWaalsContact C-N 3.32Å; L207-M209 PolarHBondContact O-N 3.3Å; L207-R210 PolarHBondContact O-N 2.82Å; L207-L211 HydrophobicContact CD1-CD1 3.99Å; L207-L211 HydrophobicContact CD1-CG 4.1Å; L207-L211 HydrophobicContact CG-CD1 4.06Å; L207-L211 WeakPolarHBondContact O-CB 3.3Å; L207-L211 WeakPolarHBondContact O-CG 3.26Å; L207-L211 PolarHBondContact O-N 3.38Å; L207-C247 HydrophobicContact CD1-CB 4.09Å; L207-I250 HydrophobicContact CD2-CB 4.4Å; L207-I250 HydrophobicContact CD2-CG2 4.16Å; L207-L251 HydrophobicContact CD1-CD1 4.12Å; L207-L251 HydrophobicContact CD1-CD2 4.42Å; L207-L251 HydrophobicContact CD1-CG 4.36Å; L207-L251 HydrophobicContact CD2-CD2 4.46Å; L207-L251 HydrophobicContact CD2-CG 4.49Å |
| 208 | A | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L175 M178 A179 F182 V204 L205 L211 K212 | L175-A208 HydrophobicContact CD2-CB 4.06Å; M178-A208 HydrophobicContact CB-CB 3.75Å; A179-A208 HydrophobicContact CB-CB 4.36Å; F182-A208 HydrophobicContact CD2-CB 4.47Å; F182-A208 HydrophobicContact CE2-CB 4.23Å; V204-A208 WeakPolarHBondContact O-CB 3.42Å; V204-A208 PolarHBondContact O-N 2.97Å; L205-A208 PolarHBondContact O-N 3.2Å; A208-L211 PolarHBondContact O-N 3.25Å; A208-K212 WeakPolarHBondContact O-CB 3.33Å; A208-K212 PolarHBondContact O-N 2.75Å |
| 209 | M | 95 | Very high | 92.7 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.044 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 177.4 | -67.6 | 161.5 | -169.9 | 0 | 0 | 111.8 | L165 L175 L205 Y206 L207 L211 K212 K213 F214 I216 W230 | L165-M209 HydrophobicContact CD1-CE 3.5Å; L165-M209 VanDerWaalsContact CD1-CE 3.5Å; L165-M209 HydrophobicContact CD2-CE 4.36Å; L175-M209 HydrophobicContact CD1-CG 4.07Å; L175-M209 HydrophobicContact CD2-CG 4.05Å; L205-M209 HydrophobicContact CB-CE 4.05Å; L205-M209 HydrophobicContact CD2-CE 4.28Å; L205-M209 WeakPolarHBondContact O-CG 2.81Å; L205-M209 PolarHBondContact O-N 3.36Å; Y206-M209 PolarHBondContact O-N 3.16Å; L207-M209 VanDerWaalsContact C-N 3.32Å; L207-M209 PolarHBondContact O-N 3.3Å; M209-L211 VanDerWaalsContact C-N 3.35Å; M209-L211 PolarHBondContact O-N 3.44Å; M209-K212 CarbonylContact O-C 3.58Å; M209-K212 PolarHBondContact O-N 3.13Å; M209-K213 WeakPolarHBondContact O-CA 3.24Å; M209-K213 PolarHBondContact O-N 3.42Å; M209-F214 HydrophobicContact CB-CB 4.3Å; M209-F214 HydrophobicContact CG-CB 4.42Å; M209-F214 HydrophobicContact CG-CD1 4.09Å; M209-F214 PolarHBondContact O-N 3.43Å; M209-I216 HydrophobicContact CE-CD1 3.54Å; M209-I216 HydrophobicContact CE-CG1 4.38Å; M209-I216 HydrophobicContact SD-CD1 3.33Å; M209-I216 WeakPolarHBondContact SD-CD1 3.21Å; M209-I216 HydrophobicContact SD-CG1 4.14Å; M209-W230 HydrophobicContact CE-CZ2 4.04Å; M209-W230 HydrophobicContact SD-CZ2 4.15Å |
| 210 | R | 94.9 | Very high | 92.1 | Very high | 148 Ų | 148 | 50.7 Ų | 50.7 | 56% | 0.558 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.3 | -44.6 | 176.1 | -75.4 | -69 | -150.9 | 153.4 | 10.3 | 111.6 | Y206 L207 K212 K213 E244 | Y206-R210 HydrophobicContact CD1-CG 4.37Å; Y206-R210 HydrophobicContact CD2-CG 4.39Å; Y206-R210 HydrophobicContact CE1-CG 4.05Å; Y206-R210 HydrophobicContact CE2-CG 4.05Å; Y206-R210 VanDerWaalsContact CZ-NE 3.31Å; Y206-R210 WeakPolarHBondContact O-CB 3.32Å; Y206-R210 VanDerWaalsContact O-CG 3.29Å; Y206-R210 WeakPolarHBondContact O-CG 3.43Å; Y206-R210 PolarHBondContact O-N 2.94Å; Y206-R210 VanDerWaalsContact OH-CZ 3.27Å; Y206-R210 PolarHBondContact OH-NE 3.44Å; Y206-R210 PolarHBondContact OH-NH2 2.85Å; L207-R210 PolarHBondContact O-N 2.82Å; R210-K212 VanDerWaalsContact C-N 3.34Å; R210-K212 PolarHBondContact O-N 3.05Å; R210-K213 PolarHBondContact O-N 3.32Å; R210-E244 IonicContact NH2-OE1 3.89Å; R210-E244 PolarHBondContact NH2-OE1 3.23Å |
| 211 | L | 94.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.1 | -28.2 | 178.3 | -68.2 | 175 | 0 | 0 | 0 | 112.8 | M178 F182 L207 A208 M209 Y446 L450 | M178-L211 HydrophobicContact CE-CB 3.93Å; M178-L211 HydrophobicContact CE-CD1 4.08Å; F182-L211 HydrophobicContact CE1-CD1 4.32Å; F182-L211 HydrophobicContact CE2-CD1 3.8Å; F182-L211 HydrophobicContact CZ-CD1 3.35Å; L207-L211 HydrophobicContact CD1-CD1 3.99Å; L207-L211 HydrophobicContact CD1-CG 4.1Å; L207-L211 HydrophobicContact CG-CD1 4.06Å; L207-L211 WeakPolarHBondContact O-CB 3.3Å; L207-L211 WeakPolarHBondContact O-CG 3.26Å; L207-L211 PolarHBondContact O-N 3.38Å; A208-L211 PolarHBondContact O-N 3.25Å; M209-L211 VanDerWaalsContact C-N 3.35Å; M209-L211 PolarHBondContact O-N 3.44Å; L211-Y446 HydrophobicContact CB-CE1 4.15Å; L211-Y446 HydrophobicContact CD2-CD1 3.9Å; L211-Y446 HydrophobicContact CD2-CE1 3.77Å; L211-Y446 WeakPolarHBondContact O-CE1 3.47Å; L211-Y446 VanDerWaalsContact O-CZ 3.31Å; L211-Y446 PolarHBondContact O-OH 3.22Å; L211-L450 HydrophobicContact CD2-CD1 3.56Å |
| 212 | K | 92.4 | Very high | 90.9 | Very high | 94 Ų | 94 | 57.5 Ų | 57.5 | 41% | 0.409 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -91.8 | -3.1 | 175.2 | -70.7 | -67.2 | -179 | 171 | 0 | 114.3 | M174 L175 M178 A208 M209 R210 F214 | M174-K212 HydrophobicContact CE-CD 3.63Å; M174-K212 HydrophobicContact CE-CG 4.03Å; M174-K212 HydrophobicContact SD-CD 3.99Å; M174-K212 WeakPolarHBondContact SD-CE 3.37Å; M174-K212 PolarHBondContact SD-NZ 3.15Å; L175-K212 HydrophobicContact CD2-CB 3.99Å; L175-K212 HydrophobicContact CD2-CG 4.07Å; M178-K212 HydrophobicContact CE-CG 4.24Å; M178-K212 HydrophobicContact SD-CD 3.92Å; M178-K212 WeakPolarHBondContact SD-CE 3.29Å; M178-K212 HydrophobicContact SD-CG 3.55Å; M178-K212 VanDerWaalsContact SD-CG 3.55Å; A208-K212 WeakPolarHBondContact O-CB 3.33Å; A208-K212 PolarHBondContact O-N 2.75Å; M209-K212 CarbonylContact O-C 3.58Å; M209-K212 PolarHBondContact O-N 3.13Å; R210-K212 VanDerWaalsContact C-N 3.34Å; R210-K212 PolarHBondContact O-N 3.05Å; K212-F214 HydrophobicContact CB-CB 4.41Å; K212-F214 PolarHBondContact O-N 3.12Å |
| 213 | K | 91.1 | Very high | 90.4 | Very high | 175 Ų | 175 | 60.9 Ų | 60.9 | 76% | 0.761 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 35.7 | -169.8 | -54.7 | 179.1 | 180 | 177.9 | 0 | 111.6 | M209 R210 | M209-K213 WeakPolarHBondContact O-CA 3.24Å; M209-K213 PolarHBondContact O-N 3.42Å; R210-K213 PolarHBondContact O-N 3.32Å |
| 214 | F | 87.9 | Confident | 89.7 | Confident | 30 Ų | 30 | 69.2 Ų | 69.2 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | trans | -80.4 | 123.4 | 178 | -175.2 | -93.9 | 0 | 0 | 0 | 109.3 | E171 I172 L175 M209 K212 I216 | E171-F214 HydrophobicContact CB-CD2 4.21Å; E171-F214 HydrophobicContact CB-CE2 3.89Å; E171-F214 WeakPolarHBondContact OE2-CE2 3.43Å; I172-F214 HydrophobicContact CG1-CZ 4.41Å; L175-F214 HydrophobicContact CD1-CB 4.07Å; L175-F214 HydrophobicContact CD1-CD1 3.54Å; L175-F214 HydrophobicContact CD1-CD2 3.86Å; L175-F214 HydrophobicContact CD1-CE1 3.81Å; L175-F214 HydrophobicContact CD1-CE2 4.13Å; L175-F214 HydrophobicContact CD1-CG 3.55Å; L175-F214 HydrophobicContact CD1-CZ 4.1Å; L175-F214 HydrophobicContact CD2-CB 4.18Å; M209-F214 HydrophobicContact CB-CB 4.3Å; M209-F214 HydrophobicContact CG-CB 4.42Å; M209-F214 HydrophobicContact CG-CD1 4.09Å; M209-F214 PolarHBondContact O-N 3.43Å; K212-F214 HydrophobicContact CB-CB 4.41Å; K212-F214 PolarHBondContact O-N 3.12Å; F214-I216 HydrophobicContact CD1-CG1 3.96Å; F214-I216 HydrophobicContact CE1-CG1 3.7Å | ||
| 215 | E | 83.6 | Confident | 89 | Confident | 167 Ų | 167 | 73.6 Ų | 73.6 | 78% | 0.78 | 38% | 0.376 | S | S | * | . | trans | -102 | 117.3 | 177.6 | -66.7 | -173.7 | 173.4 | 0 | 0 | 109.5 | V217 | E215-V217 PolarHBondContact O-N 2.99Š| ||
| 216 | I | 83.4 | Confident | 88.4 | Confident | 37 Ų | 37 | 80.1 Ų | 80.1 | 19% | 0.19 | 41% | 0.405 | C | S | . | . | trans | -76.5 | 109.8 | 173.4 | -65.4 | 165.2 | 0 | 0 | 0 | 108.2 | L165 M209 F214 D218 W219 W230 | L165-I216 HydrophobicContact CD2-CD1 3.79Å; L165-I216 HydrophobicContact CD2-CG1 4.41Å; M209-I216 HydrophobicContact CE-CD1 3.54Å; M209-I216 HydrophobicContact CE-CG1 4.38Å; M209-I216 HydrophobicContact SD-CD1 3.33Å; M209-I216 WeakPolarHBondContact SD-CD1 3.21Å; M209-I216 HydrophobicContact SD-CG1 4.14Å; F214-I216 HydrophobicContact CD1-CG1 3.96Å; F214-I216 HydrophobicContact CE1-CG1 3.7Å; I216-D218 WeakPolarHBondContact CG2-O 3.49Å; I216-W219 HydrophobicContact CG2-CE3 3.74Å; I216-W219 HydrophobicContact CG2-CZ3 4.22Å; I216-W230 HydrophobicContact CD1-CB 4.17Å; I216-W230 HydrophobicContact CD1-CD2 3.95Å; I216-W230 HydrophobicContact CD1-CG 3.51Å; I216-W230 VanDerWaalsContact CD1-NE1 3.3Å; I216-W230 HydrophobicContact CG2-CB 4.32Å | ||
| 217 | V | 75.1 | Confident | 87.8 | Confident | 126 Ų | 126 | 79.8 Ų | 79.8 | 76% | 0.764 | 40% | 0.404 | S | S | * | . | trans | -78.9 | -39.1 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | E215 | E215-V217 PolarHBondContact O-N 2.99Š| ||
| 218 | D | 83.1 | Confident | 87.2 | Confident | 66 Ų | 66 | 86.9 Ų | 86.9 | 35% | 0.353 | 44% | 0.437 | S | S | . | . | trans | -157.7 | 169.5 | -175.8 | -164 | 22.9 | 0 | 0 | 0 | 112.4 | N166 I216 | N166-D218 HydrophobicContact CB-CB 4.42Å; N166-D218 WeakPolarHBondContact CB-O 3.08Å; N166-D218 PolarHBondContact N-O 2.95Å; N166-D218 PolarHBondContact ND2-OD2 3Å; I216-D218 WeakPolarHBondContact CG2-O 3.49Å | ||
| 219 | W | 88.4 | Confident | 86.9 | Confident | 13 Ų | 13 | 91.3 Ų | 91.3 | 5% | 0.049 | 46% | 0.456 | C | S | . | . | B | Isolated β-bridge | trans | -150.2 | 152.4 | 174.5 | 56.7 | 92.8 | 0 | 0 | 0 | 111.6 | D164 I216 G221 R222 E227 W230 | D164-W219 CarbonylContact O-C 3.53Å; D164-W219 VanDerWaalsContact O-CA 3.3Å; D164-W219 WeakPolarHBondContact O-CA 3.33Å; D164-W219 VanDerWaalsContact O-CB 3.26Å; D164-W219 WeakPolarHBondContact O-CB 3.4Å; I216-W219 HydrophobicContact CG2-CE3 3.74Å; I216-W219 HydrophobicContact CG2-CZ3 4.22Å; W219-G221 PolarHBondContact O-N 2.92Å; W219-R222 HydrophobicContact CD2-CB 4.31Å; W219-R222 HydrophobicContact CD2-CG 4.34Å; W219-R222 HydrophobicContact CG-CB 4.31Å; W219-R222 HydrophobicContact CH2-CG 4.39Å; W219-R222 HydrophobicContact CZ2-CB 4.36Å; W219-R222 VanDerWaalsContact CZ2-CD 3.47Å; W219-R222 HydrophobicContact CZ2-CG 3.59Å; W219-R222 PolarHBondContact O-N 3.12Å; W219-E227 HydrophobicContact CZ2-CB 4Å; W219-E227 PolarHBondContact NE1-OE2 3.29Å; W219-E227 VanDerWaalsContact NE1-OE2 3.09Å; W219-W230 HydrophobicContact CD2-CB 3.75Å; W219-W230 HydrophobicContact CE3-CB 3.52Å; W219-W230 HydrophobicContact CG-CB 4.36Å; W219-W230 HydrophobicContact CH2-CB 4.2Å; W219-W230 HydrophobicContact CZ2-CB 4.39Å; W219-W230 HydrophobicContact CZ3-CB 3.77Å |
| 220 | Y | 86.1 | Confident | 86.7 | Confident | 147 Ų | 147 | 91.5 Ų | 91.5 | 58% | 0.576 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 130.3 | -179.1 | -71.9 | -70.2 | 0 | 0 | 0 | 112.2 | D164 N166 R222 | D164-Y220 PolarHBondContact O-N 3.14Å; N166-Y220 WeakPolarHBondContact OD1-CD2 3.38Å; N166-Y220 WeakPolarHBondContact OD1-CE2 3.48Å; Y220-R222 VanDerWaalsContact C-N 3.33Å |
| 221 | G | 84.5 | Confident | 86.6 | Confident | 48 Ų | 48 | 85.1 Ų | 85.1 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 14.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | W219 V223 R233 | W219-G221 PolarHBondContact O-N 2.92Å; G221-V223 PolarHBondContact O-N 3.26Å; G221-R233 PolarHBondContact O-NH1 3.13Å |
| 222 | R | 86.6 | Confident | 86.5 | Confident | 98 Ų | 98 | 85.4 Ų | 85.4 | 37% | 0.37 | 43% | 0.434 | S | S | . | . | trans | -52.1 | 132.1 | 175.5 | -176.8 | 174.9 | -177.9 | -167.2 | 1.2 | 112.2 | W219 Y220 E227 | W219-R222 HydrophobicContact CD2-CB 4.31Å; W219-R222 HydrophobicContact CD2-CG 4.34Å; W219-R222 HydrophobicContact CG-CB 4.31Å; W219-R222 HydrophobicContact CH2-CG 4.39Å; W219-R222 HydrophobicContact CZ2-CB 4.36Å; W219-R222 VanDerWaalsContact CZ2-CD 3.47Å; W219-R222 HydrophobicContact CZ2-CG 3.59Å; W219-R222 PolarHBondContact O-N 3.12Å; Y220-R222 VanDerWaalsContact C-N 3.33Å; R222-E227 WeakPolarHBondContact CA-OE2 3.43Å; R222-E227 PolarHBondContact NE-O 3.14Å | ||
| 223 | V | 87 | Confident | 86.4 | Confident | 72 Ų | 72 | 85.3 Ų | 85.3 | 44% | 0.436 | 43% | 0.431 | S | S | . | . | trans | -99.4 | 101.6 | 172.2 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | G221 G225 K226 E227 | G221-V223 PolarHBondContact O-N 3.26Å; V223-G225 PolarHBondContact O-N 3.27Å; V223-K226 HydrophobicContact CB-CB 4.35Å; V223-K226 HydrophobicContact CG1-CB 4.04Å; V223-K226 PolarHBondContact O-N 2.92Å; V223-E227 HydrophobicContact CB-CG 4.36Å; V223-E227 PolarHBondContact N-OE2 3.47Å; V223-E227 PolarHBondContact O-N 3.22Å | ||
| 224 | E | 84.2 | Confident | 86.4 | Confident | 175 Ų | 175 | 79.5 Ų | 79.5 | 82% | 0.818 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 136.7 | 177.8 | -69.7 | -175.5 | -175.1 | 0 | 0 | 111.8 | K226 | E224-K226 PolarHBondContact O-N 3.12Š|
| 225 | G | 83 | Confident | 86.6 | Confident | 91 Ų | 91 | 79.6 Ų | 79.6 | 94% | 0.938 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -10.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V223 | V223-G225 PolarHBondContact O-N 3.27Š|
| 226 | K | 84.6 | Confident | 86.8 | Confident | 137 Ų | 137 | 76.5 Ų | 76.5 | 60% | 0.596 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -42.5 | 172.1 | -171.5 | -173.5 | 175.1 | -161.6 | 0 | 112.2 | V223 E224 | V223-K226 HydrophobicContact CB-CB 4.35Å; V223-K226 HydrophobicContact CG1-CB 4.04Å; V223-K226 PolarHBondContact O-N 2.92Å; E224-K226 PolarHBondContact O-N 3.12Å |
| 227 | E | 83.8 | Confident | 87 | Confident | 13 Ų | 13 | 77.6 Ų | 77.6 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | trans | -103.6 | 100.4 | -175.4 | -60.5 | 174.8 | -177.7 | 0 | 0 | 110 | W219 R222 V223 D232 R233 | W219-E227 HydrophobicContact CZ2-CB 4Å; W219-E227 PolarHBondContact NE1-OE2 3.29Å; W219-E227 VanDerWaalsContact NE1-OE2 3.09Å; R222-E227 WeakPolarHBondContact CA-OE2 3.43Å; R222-E227 PolarHBondContact NE-O 3.14Å; V223-E227 HydrophobicContact CB-CG 4.36Å; V223-E227 PolarHBondContact N-OE2 3.47Å; V223-E227 PolarHBondContact O-N 3.22Å; E227-D232 HydrophobicContact CB-CB 4.19Å; E227-D232 HydrophobicContact CG-CB 4.28Å; E227-R233 IonicContact OE1-NH1 2.67Å | ||
| 228 | E | 85.3 | Confident | 87.9 | Confident | 156 Ų | 156 | 72.2 Ų | 72.2 | 73% | 0.729 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -84.6 | -35.8 | 177.4 | -68.5 | -169.2 | 173.3 | 0 | 0 | 111.6 | D232 | E228-D232 PolarHBondContact N-OD2 3.17Š|
| 229 | K | 90.1 | Very high | 88.4 | Confident | 93 Ų | 93 | 75.7 Ų | 75.7 | 40% | 0.404 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -111.4 | 148.2 | 176.6 | -51.8 | -60.6 | 178.9 | -167.2 | 0 | 109.5 | W231 D232 | K229-W231 HydrophobicContact CB-CD2 3.8Å; K229-W231 VanDerWaalsContact CB-CE2 3.41Å; K229-W231 HydrophobicContact CB-CE3 4.3Å; K229-W231 HydrophobicContact CB-CG 4.27Å; K229-W231 HydrophobicContact CB-CH2 4.1Å; K229-W231 HydrophobicContact CB-CZ2 3.59Å; K229-W231 HydrophobicContact CB-CZ3 4.42Å; K229-W231 HydrophobicContact CD-CH2 4.1Å; K229-W231 HydrophobicContact CD-CZ2 3.95Å; K229-W231 HydrophobicContact CG-CH2 4.13Å; K229-W231 HydrophobicContact CG-CZ2 3.51Å; K229-W231 PolarHBondContact O-N 3.3Å; K229-W231 VanDerWaalsContact O-N 3.12Å; K229-D232 PolarHBondContact N-OD2 3.21Å; K229-D232 VanDerWaalsContact O-CB 3.28Å; K229-D232 WeakPolarHBondContact O-CB 2.95Å; K229-D232 PolarHBondContact O-N 2.92Å |
| 230 | W | 90.8 | Very high | 88.7 | Confident | 13 Ų | 13 | 77.5 Ų | 77.5 | 5% | 0.049 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -60 | -27.7 | -178.4 | 69.4 | -95.3 | 0 | 0 | 0 | 113.5 | F161 L165 I202 L205 M209 I216 W219 Y234 | F161-W230 HydrophobicContact CB-CZ3 4.28Å; L165-W230 HydrophobicContact CD2-CD2 4.27Å; L165-W230 HydrophobicContact CD2-CE3 4.15Å; I202-W230 HydrophobicContact CB-CH2 4.31Å; I202-W230 HydrophobicContact CG1-CH2 4.23Å; I202-W230 HydrophobicContact CG1-CZ3 4.43Å; I202-W230 HydrophobicContact CG2-CH2 4Å; I202-W230 HydrophobicContact CG2-CZ2 4.17Å; L205-W230 HydrophobicContact CB-CH2 3.77Å; L205-W230 HydrophobicContact CB-CZ2 3.94Å; L205-W230 HydrophobicContact CD1-CH2 3.7Å; L205-W230 HydrophobicContact CD1-CZ3 4.22Å; L205-W230 HydrophobicContact CG-CH2 4.39Å; M209-W230 HydrophobicContact CE-CZ2 4.04Å; M209-W230 HydrophobicContact SD-CZ2 4.15Å; I216-W230 HydrophobicContact CD1-CB 4.17Å; I216-W230 HydrophobicContact CD1-CD2 3.95Å; I216-W230 HydrophobicContact CD1-CG 3.51Å; I216-W230 VanDerWaalsContact CD1-NE1 3.3Å; I216-W230 HydrophobicContact CG2-CB 4.32Å; W219-W230 HydrophobicContact CD2-CB 3.75Å; W219-W230 HydrophobicContact CE3-CB 3.52Å; W219-W230 HydrophobicContact CG-CB 4.36Å; W219-W230 HydrophobicContact CH2-CB 4.2Å; W219-W230 HydrophobicContact CZ2-CB 4.39Å; W219-W230 HydrophobicContact CZ3-CB 3.77Å; W230-Y234 HydrophobicContact CE3-CD2 4.42Å; W230-Y234 AromaticContact CE3-CE2 3.95Å; W230-Y234 HydrophobicContact CE3-CE2 3.95Å; W230-Y234 HydrophobicContact CZ3-CD2 4.22Å; W230-Y234 AromaticContact CZ3-CE2 3.89Å; W230-Y234 HydrophobicContact CZ3-CE2 3.89Å |
| 231 | W | 93.3 | Very high | 89.1 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 5% | 0.049 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -83 | -13.5 | 178.3 | 60.1 | 72.5 | 0 | 0 | 0 | 114.1 | I202 Y206 K229 R233 Y234 V235 L238 V240 L243 | I202-W231 HydrophobicContact CB-CB 4.48Å; I202-W231 HydrophobicContact CD1-CB 4.02Å; I202-W231 HydrophobicContact CG1-CB 4.11Å; I202-W231 HydrophobicContact CG2-CB 3.51Å; I202-W231 HydrophobicContact CG2-CD2 4.18Å; I202-W231 HydrophobicContact CG2-CE3 4.29Å; I202-W231 HydrophobicContact CG2-CG 3.86Å; Y206-W231 HydrophobicContact CD2-CH2 4.16Å; Y206-W231 AromaticContact CD2-CZ3 3.8Å; Y206-W231 HydrophobicContact CD2-CZ3 3.8Å; Y206-W231 HydrophobicContact CE2-CH2 4.22Å; Y206-W231 HydrophobicContact CE2-CZ3 4.3Å; K229-W231 HydrophobicContact CB-CD2 3.8Å; K229-W231 VanDerWaalsContact CB-CE2 3.41Å; K229-W231 HydrophobicContact CB-CE3 4.3Å; K229-W231 HydrophobicContact CB-CG 4.27Å; K229-W231 HydrophobicContact CB-CH2 4.1Å; K229-W231 HydrophobicContact CB-CZ2 3.59Å; K229-W231 HydrophobicContact CB-CZ3 4.42Å; K229-W231 HydrophobicContact CD-CH2 4.1Å; K229-W231 HydrophobicContact CD-CZ2 3.95Å; K229-W231 HydrophobicContact CG-CH2 4.13Å; K229-W231 HydrophobicContact CG-CZ2 3.51Å; K229-W231 PolarHBondContact O-N 3.3Å; K229-W231 VanDerWaalsContact O-N 3.12Å; W231-R233 PolarHBondContact O-N 2.85Å; W231-R233 VanDerWaalsContact O-N 3.12Å; W231-Y234 PolarHBondContact O-N 3.33Å; W231-V235 PolarHBondContact O-N 3.13Å; W231-L238 HydrophobicContact CG-CD2 4.39Å; W231-L238 PolarHBondContact NE1-O 3.41Å; W231-L238 VanDerWaalsContact NE1-O 3.14Å; W231-V240 HydrophobicContact CH2-CG2 4.17Å; W231-V240 HydrophobicContact CZ2-CG2 3.85Å; W231-L243 HydrophobicContact CD2-CD1 3.94Å; W231-L243 HydrophobicContact CE3-CD1 3.98Å; W231-L243 HydrophobicContact CH2-CD1 3.85Å; W231-L243 HydrophobicContact CZ2-CD1 3.74Å; W231-L243 HydrophobicContact CZ3-CD1 3.97Å |
| 232 | D | 92 | Very high | 89.6 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 16% | 0.16 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -60.5 | -24.1 | 176.5 | -65.2 | -20.4 | 0 | 0 | 0 | 111.1 | E227 E228 K229 Y234 | E227-D232 HydrophobicContact CB-CB 4.19Å; E227-D232 HydrophobicContact CG-CB 4.28Å; E228-D232 PolarHBondContact N-OD2 3.17Å; K229-D232 PolarHBondContact N-OD2 3.21Å; K229-D232 VanDerWaalsContact O-CB 3.28Å; K229-D232 WeakPolarHBondContact O-CB 2.95Å; K229-D232 PolarHBondContact O-N 2.92Å; D232-Y234 PolarHBondContact O-N 3.2Å |
| 233 | R | 89.7 | Confident | 90.1 | Very high | 91 Ų | 91 | 72.2 Ų | 72.2 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -59.7 | -30.1 | 171.7 | -179.6 | 171.5 | -173.1 | 74.3 | -6.4 | 113.8 | D164 G221 E227 W231 | D164-R233 IonicContact OD2-NE 3.02Å; D164-R233 PolarHBondContact OD2-NE 3.29Å; G221-R233 PolarHBondContact O-NH1 3.13Å; E227-R233 IonicContact OE1-NH1 2.67Å; W231-R233 PolarHBondContact O-N 2.85Å; W231-R233 VanDerWaalsContact O-N 3.12Å |
| 234 | Y | 91.8 | Very high | 90.6 | Very high | 54 Ų | 54 | 71.4 Ų | 71.4 | 21% | 0.212 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -37.7 | -171.6 | -51.8 | -59.9 | 0 | 0 | 0 | 112.8 | F161 D164 W230 W231 D232 | F161-Y234 HydrophobicContact CB-CE2 3.84Å; F161-Y234 AromaticContact CD1-CD1 3.59Å; F161-Y234 HydrophobicContact CD1-CD1 3.59Å; F161-Y234 AromaticContact CD1-CD2 3.74Å; F161-Y234 HydrophobicContact CD1-CD2 3.74Å; F161-Y234 AromaticContact CD1-CE1 3.39Å; F161-Y234 HydrophobicContact CD1-CE1 3.39Å; F161-Y234 AromaticContact CD1-CE2 3.57Å; F161-Y234 HydrophobicContact CD1-CE2 3.57Å; F161-Y234 AromaticContact CD1-CG 3.74Å; F161-Y234 HydrophobicContact CD1-CG 3.74Å; F161-Y234 AromaticContact CD1-CZ 3.37Å; F161-Y234 HydrophobicContact CD2-CD2 4.27Å; F161-Y234 HydrophobicContact CD2-CE2 4.39Å; F161-Y234 AromaticContact CE1-CD1 3.39Å; F161-Y234 HydrophobicContact CE1-CD1 3.39Å; F161-Y234 AromaticContact CE1-CD2 3.92Å; F161-Y234 HydrophobicContact CE1-CD2 3.92Å; F161-Y234 AromaticContact CE1-CE1 3.71Å; F161-Y234 HydrophobicContact CE1-CE1 3.71Å; F161-Y234 HydrophobicContact CE1-CE2 4.21Å; F161-Y234 AromaticContact CE1-CG 3.5Å; F161-Y234 HydrophobicContact CE1-CG 3.5Å; F161-Y234 VanDerWaalsContact CE1-CG 3.5Å; F161-Y234 HydrophobicContact CE2-CD2 4.42Å; F161-Y234 AromaticContact CG-CD2 3.93Å; F161-Y234 HydrophobicContact CG-CD2 3.93Å; F161-Y234 HydrophobicContact CG-CE1 4.33Å; F161-Y234 AromaticContact CG-CE2 3.68Å; F161-Y234 HydrophobicContact CG-CE2 3.68Å; F161-Y234 HydrophobicContact CG-CG 4.37Å; F161-Y234 AromaticContact CG-CZ 3.88Å; F161-Y234 HydrophobicContact CZ-CD1 4.24Å; F161-Y234 HydrophobicContact CZ-CD2 4.26Å; F161-Y234 AromaticContact CZ-CG 3.92Å; F161-Y234 HydrophobicContact CZ-CG 3.92Å; D164-Y234 WeakPolarHBondContact CB-OH 3.3Å; D164-Y234 PolarHBondContact OD2-OH 2.95Å; D164-Y234 VanDerWaalsContact OD2-OH 3.05Å; W230-Y234 HydrophobicContact CE3-CD2 4.42Å; W230-Y234 AromaticContact CE3-CE2 3.95Å; W230-Y234 HydrophobicContact CE3-CE2 3.95Å; W230-Y234 HydrophobicContact CZ3-CD2 4.22Å; W230-Y234 AromaticContact CZ3-CE2 3.89Å; W230-Y234 HydrophobicContact CZ3-CE2 3.89Å; W231-Y234 PolarHBondContact O-N 3.33Å; D232-Y234 PolarHBondContact O-N 3.2Å |
| 235 | V | 91.2 | Very high | 91.2 | Very high | 32 Ų | 32 | 65.5 Ų | 65.5 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -137.8 | 108.2 | -176.3 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | I199 I202 W231 L238 | I199-V235 HydrophobicContact CG1-CG1 4.46Å; I199-V235 HydrophobicContact CG1-CG2 4.43Å; I202-V235 HydrophobicContact CD1-CB 4.22Å; I202-V235 HydrophobicContact CD1-CG2 3.6Å; W231-V235 PolarHBondContact O-N 3.13Å; V235-L238 HydrophobicContact CB-CB 4.24Å; V235-L238 HydrophobicContact CB-CD2 4.12Å; V235-L238 HydrophobicContact CG1-CB 3.99Å; V235-L238 HydrophobicContact CG1-CD2 4.29Å |
| 236 | D | 88.2 | Confident | 91.9 | Very high | 102 Ų | 102 | 61.1 Ų | 61.1 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 135.5 | 175.5 | -68.5 | -48.9 | 0 | 0 | 0 | 110.7 | L238 | D236-L238 PolarHBondContact O-N 3.37Š|
| 237 | G | 89.2 | Confident | 92.5 | Very high | 60 Ų | 60 | 55 Ų | 55 | 62% | 0.619 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 15.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H239 | G237-H239 PolarHBondContact O-CD2 3.01Å; G237-H239 PolarHBondContact O-N 3.22Å |
| 238 | L | 93.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | trans | -76.6 | 106.7 | 177.4 | -173.5 | 57.1 | 0 | 0 | 0 | 111.6 | I199 I202 W231 V235 D236 L242 L243 | I199-L238 HydrophobicContact CG2-CD1 4.09Å; I202-L238 HydrophobicContact CB-CD2 4.3Å; I202-L238 HydrophobicContact CD1-CD2 3.79Å; I202-L238 HydrophobicContact CG2-CD2 3.89Å; W231-L238 HydrophobicContact CG-CD2 4.39Å; W231-L238 PolarHBondContact NE1-O 3.41Å; W231-L238 VanDerWaalsContact NE1-O 3.14Å; V235-L238 HydrophobicContact CB-CB 4.24Å; V235-L238 HydrophobicContact CB-CD2 4.12Å; V235-L238 HydrophobicContact CG1-CB 3.99Å; V235-L238 HydrophobicContact CG1-CD2 4.29Å; D236-L238 PolarHBondContact O-N 3.37Å; L238-L242 HydrophobicContact CD1-CD1 4Å; L238-L242 HydrophobicContact CD1-CD2 3.83Å; L238-L242 HydrophobicContact CD1-CG 4.39Å; L238-L243 HydrophobicContact CD1-CD2 4.28Å; L238-L243 HydrophobicContact CD2-CD2 3.87Å; L238-L243 HydrophobicContact CG-CD2 4.07Å; L238-L243 HydrophobicContact CG-CG 4.42Å | ||
| 239 | H | 93.6 | Very high | 93.6 | Very high | 140 Ų | 140 | 54.1 Ų | 54.1 | 65% | 0.648 | 28% | 0.275 | S | S | * | . | trans | -81.4 | 143.7 | -177 | -65.2 | -66.5 | 0 | 0 | 0 | 113.5 | G237 M241 L242 L243 | G237-H239 PolarHBondContact O-CD2 3.01Å; G237-H239 PolarHBondContact O-N 3.22Å; H239-M241 VanDerWaalsContact C-N 3.27Å; H239-M241 PolarHBondContact O-N 2.91Å; H239-L242 VanDerWaalsContact O-CB 3.3Å; H239-L242 WeakPolarHBondContact O-CB 3.42Å; H239-L242 PolarHBondContact O-N 3.47Å; H239-L243 PolarHBondContact O-N 3.21Å | ||
| 240 | V | 94.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 30% | 0.303 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.7 | -39.2 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 112.8 | Y206 W231 L242 L243 E244 | Y206-V240 WeakPolarHBondContact OH-CG1 3.37Å; W231-V240 HydrophobicContact CH2-CG2 4.17Å; W231-V240 HydrophobicContact CZ2-CG2 3.85Å; V240-L242 PolarHBondContact O-N 3.04Å; V240-L243 WeakPolarHBondContact O-CB 3.42Å; V240-L243 PolarHBondContact O-N 3.04Å; V240-L243 VanDerWaalsContact O-N 3.13Å; V240-E244 HydrophobicContact CG1-CG 4.25Å; V240-E244 WeakPolarHBondContact O-CG 3.43Å; V240-E244 PolarHBondContact O-N 3.23Å |
| 241 | M | 95.2 | Very high | 94.1 | Very high | 143 Ų | 143 | 51 Ų | 51 | 70% | 0.704 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.8 | -32.6 | 178.4 | -65.6 | -60 | -59.2 | 0 | 0 | 112.8 | H239 D245 | H239-M241 VanDerWaalsContact C-N 3.27Å; H239-M241 PolarHBondContact O-N 2.91Å; M241-D245 WeakPolarHBondContact O-CB 3.32Å; M241-D245 PolarHBondContact O-N 3.39Å |
| 242 | L | 95.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.9 | -44.6 | 177.5 | -172.7 | 166.8 | 0 | 0 | 0 | 110.2 | W195 I199 L238 H239 V240 E244 D245 I246 | W195-L242 HydrophobicContact CD2-CD2 4.22Å; W195-L242 HydrophobicContact CE3-CD1 4.43Å; W195-L242 HydrophobicContact CE3-CD2 4.24Å; W195-L242 HydrophobicContact CH2-CD1 3.3Å; W195-L242 HydrophobicContact CH2-CD2 3.87Å; W195-L242 HydrophobicContact CH2-CG 3.49Å; W195-L242 VanDerWaalsContact CH2-CG 3.49Å; W195-L242 HydrophobicContact CZ2-CD1 4.03Å; W195-L242 HydrophobicContact CZ2-CD2 3.81Å; W195-L242 HydrophobicContact CZ2-CG 3.66Å; W195-L242 HydrophobicContact CZ3-CD1 3.55Å; W195-L242 HydrophobicContact CZ3-CD2 4.08Å; W195-L242 HydrophobicContact CZ3-CG 4.05Å; I199-L242 HydrophobicContact CG2-CD2 3.96Å; L238-L242 HydrophobicContact CD1-CD1 4Å; L238-L242 HydrophobicContact CD1-CD2 3.83Å; L238-L242 HydrophobicContact CD1-CG 4.39Å; H239-L242 VanDerWaalsContact O-CB 3.3Å; H239-L242 WeakPolarHBondContact O-CB 3.42Å; H239-L242 PolarHBondContact O-N 3.47Å; V240-L242 PolarHBondContact O-N 3.04Å; L242-E244 VanDerWaalsContact C-N 3.29Å; L242-E244 PolarHBondContact O-N 3.45Å; L242-D245 WeakPolarHBondContact O-CB 3.49Å; L242-D245 PolarHBondContact O-N 3.45Å; L242-I246 HydrophobicContact CD2-CD1 3.56Å; L242-I246 HydrophobicContact CD2-CG1 4.22Å; L242-I246 WeakPolarHBondContact O-CG1 3.48Å; L242-I246 PolarHBondContact O-N 3.04Å |
| 243 | L | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 174 | -61 | -178.9 | 0 | 0 | 0 | 111.2 | I202 A203 Y206 W231 L238 H239 V240 I246 C247 | I202-L243 HydrophobicContact CG2-CD1 4.22Å; I202-L243 HydrophobicContact CG2-CD2 3.83Å; A203-L243 HydrophobicContact CB-CD2 4.02Å; Y206-L243 HydrophobicContact CD1-CB 3.87Å; Y206-L243 HydrophobicContact CD1-CD1 4.4Å; Y206-L243 HydrophobicContact CD2-CD1 4.27Å; Y206-L243 HydrophobicContact CE1-CB 4.04Å; Y206-L243 HydrophobicContact CG-CB 4.39Å; Y206-L243 HydrophobicContact CG-CD1 4.1Å; W231-L243 HydrophobicContact CD2-CD1 3.94Å; W231-L243 HydrophobicContact CE3-CD1 3.98Å; W231-L243 HydrophobicContact CH2-CD1 3.85Å; W231-L243 HydrophobicContact CZ2-CD1 3.74Å; W231-L243 HydrophobicContact CZ3-CD1 3.97Å; L238-L243 HydrophobicContact CD1-CD2 4.28Å; L238-L243 HydrophobicContact CD2-CD2 3.87Å; L238-L243 HydrophobicContact CG-CD2 4.07Å; L238-L243 HydrophobicContact CG-CG 4.42Å; H239-L243 PolarHBondContact O-N 3.21Å; V240-L243 WeakPolarHBondContact O-CB 3.42Å; V240-L243 PolarHBondContact O-N 3.04Å; V240-L243 VanDerWaalsContact O-N 3.13Å; L243-I246 PolarHBondContact O-N 2.77Å; L243-C247 PolarHBondContact O-N 3.34Å; L243-C247 PolarHBondContact O-SG 3.4Å |
| 244 | E | 96.8 | Very high | 93.9 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 177.2 | -71 | -179.1 | 175.2 | 0 | 0 | 112.2 | Y206 R210 V240 L242 I246 C247 H248 | Y206-E244 HydrophobicContact CE1-CG 3.97Å; Y206-E244 PolarHBondContact OH-OE1 3.48Å; R210-E244 IonicContact NH2-OE1 3.89Å; R210-E244 PolarHBondContact NH2-OE1 3.23Å; V240-E244 HydrophobicContact CG1-CG 4.25Å; V240-E244 WeakPolarHBondContact O-CG 3.43Å; V240-E244 PolarHBondContact O-N 3.23Å; L242-E244 VanDerWaalsContact C-N 3.29Å; L242-E244 PolarHBondContact O-N 3.45Å; E244-I246 VanDerWaalsContact C-N 3.35Å; E244-I246 PolarHBondContact O-N 3.1Å; E244-C247 WeakPolarHBondContact O-CB 3.38Å; E244-C247 PolarHBondContact O-N 3.05Å; E244-H248 PolarHBondContact O-N 3.28Å; E244-H248 PolarHBondContact O-ND1 3.09Å |
| 245 | D | 96.7 | Very high | 93.5 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 173.9 | 178.3 | 73.2 | 0 | 0 | 0 | 112.9 | K8 M241 L242 Q249 | K8-D245 WeakPolarHBondContact CE-OD2 3.45Å; K8-D245 IonicContact NZ-OD1 3.8Å; K8-D245 PolarHBondContact NZ-OD1 3.37Å; K8-D245 IonicContact NZ-OD2 3.46Å; K8-D245 PolarHBondContact NZ-OD2 2.91Å; M241-D245 WeakPolarHBondContact O-CB 3.32Å; M241-D245 PolarHBondContact O-N 3.39Å; L242-D245 WeakPolarHBondContact O-CB 3.49Å; L242-D245 PolarHBondContact O-N 3.45Å; D245-Q249 WeakPolarHBondContact O-CG 3.08Å; D245-Q249 PolarHBondContact O-N 3.37Å |
| 246 | I | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 173.1 | -65.3 | 173.1 | 0 | 0 | 0 | 110.6 | L191 W195 I199 A203 L242 L243 E244 H248 Q249 I250 | L191-I246 HydrophobicContact CD1-CG2 3.86Å; L191-I246 HydrophobicContact CD2-CB 4.26Å; L191-I246 HydrophobicContact CD2-CG1 4.03Å; L191-I246 HydrophobicContact CD2-CG2 3.88Å; W195-I246 HydrophobicContact CB-CD1 4.48Å; W195-I246 HydrophobicContact CD2-CD1 4.13Å; W195-I246 HydrophobicContact CG-CD1 3.8Å; W195-I246 HydrophobicContact CG-CG1 4.36Å; I199-I246 HydrophobicContact CG2-CD1 3.69Å; A203-I246 HydrophobicContact CB-CB 3.84Å; A203-I246 HydrophobicContact CB-CD1 3.98Å; A203-I246 HydrophobicContact CB-CG2 3.48Å; A203-I246 VanDerWaalsContact CB-CG2 3.48Å; L242-I246 HydrophobicContact CD2-CD1 3.56Å; L242-I246 HydrophobicContact CD2-CG1 4.22Å; L242-I246 WeakPolarHBondContact O-CG1 3.48Å; L242-I246 PolarHBondContact O-N 3.04Å; L243-I246 PolarHBondContact O-N 2.77Å; E244-I246 VanDerWaalsContact C-N 3.35Å; E244-I246 PolarHBondContact O-N 3.1Å; I246-H248 VanDerWaalsContact C-N 3.34Å; I246-H248 PolarHBondContact O-N 2.9Å; I246-Q249 PolarHBondContact O-N 3.46Å; I246-I250 HydrophobicContact CG2-CD1 4.21Å; I246-I250 PolarHBondContact O-N 2.89Å; I246-I250 VanDerWaalsContact O-N 3.14Å |
| 247 | C | 97.5 | Very high | 90.6 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 5% | 0.054 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -44.5 | 178.8 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | L207 L243 E244 Q249 I250 L251 | L207-C247 HydrophobicContact CD1-CB 4.09Å; L243-C247 PolarHBondContact O-N 3.34Å; L243-C247 PolarHBondContact O-SG 3.4Å; E244-C247 WeakPolarHBondContact O-CB 3.38Å; E244-C247 PolarHBondContact O-N 3.05Å; C247-Q249 PolarHBondContact O-N 3.43Å; C247-I250 PolarHBondContact O-N 3.38Å; C247-L251 WeakPolarHBondContact O-CG 3.4Å; C247-L251 PolarHBondContact O-N 2.91Å |
| 248 | H | 96.5 | Very high | 88.3 | Confident | 112 Ų | 112 | 53.2 Ų | 53.2 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 177.1 | -69.6 | 116.1 | 0 | 0 | 0 | 111.5 | E244 I246 I250 L251 D252 | E244-H248 PolarHBondContact O-N 3.28Å; E244-H248 PolarHBondContact O-ND1 3.09Å; I246-H248 VanDerWaalsContact C-N 3.34Å; I246-H248 PolarHBondContact O-N 2.9Å; H248-I250 VanDerWaalsContact C-N 3.27Å; H248-I250 PolarHBondContact O-N 2.78Å; H248-L251 PolarHBondContact O-N 3.37Å; H248-L251 VanDerWaalsContact O-N 3.12Å; H248-D252 PolarHBondContact O-N 3.22Å |
| 249 | Q | 95.2 | Very high | 85.6 | Confident | 39 Ų | 39 | 58 Ų | 58 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -35.7 | 176.9 | -72.2 | -179.8 | 73.2 | 0 | 0 | 113.1 | L191 D245 I246 C247 | L191-Q249 HydrophobicContact CD1-CB 4.29Å; L191-Q249 HydrophobicContact CD2-CB 4.33Å; L191-Q249 HydrophobicContact CG-CB 4.4Å; D245-Q249 WeakPolarHBondContact O-CG 3.08Å; D245-Q249 PolarHBondContact O-N 3.37Å; I246-Q249 PolarHBondContact O-N 3.46Å; C247-Q249 PolarHBondContact O-N 3.43Å |
| 250 | I | 96.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.9 | -44.2 | 174.7 | -63 | 176.2 | 0 | 0 | 0 | 110.5 | F182 D185 L191 V204 L207 I246 C247 H248 D252 V253 | F182-I250 HydrophobicContact CB-CG2 4.26Å; F182-I250 HydrophobicContact CD1-CG2 4.2Å; D185-I250 HydrophobicContact CB-CG2 4.26Å; L191-I250 HydrophobicContact CD1-CD1 4.05Å; L191-I250 HydrophobicContact CD1-CG1 3.53Å; V204-I250 HydrophobicContact CG1-CD1 3.64Å; L207-I250 HydrophobicContact CD2-CB 4.4Å; L207-I250 HydrophobicContact CD2-CG2 4.16Å; I246-I250 HydrophobicContact CG2-CD1 4.21Å; I246-I250 PolarHBondContact O-N 2.89Å; I246-I250 VanDerWaalsContact O-N 3.14Å; C247-I250 PolarHBondContact O-N 3.38Å; H248-I250 VanDerWaalsContact C-N 3.27Å; H248-I250 PolarHBondContact O-N 2.78Å; I250-D252 VanDerWaalsContact C-N 3.31Å; I250-D252 PolarHBondContact O-N 3.4Å; I250-V253 VanDerWaalsContact O-CB 3.24Å; I250-V253 WeakPolarHBondContact O-CB 3.45Å; I250-V253 WeakPolarHBondContact O-CG2 3.36Å; I250-V253 PolarHBondContact O-N 2.84Å; I250-V253 VanDerWaalsContact O-N 3.13Å |
| 251 | L | 95.6 | Very high | 80 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.4 | -31.1 | 179.7 | -68.6 | 174.5 | 0 | 0 | 0 | 112.6 | L207 C247 H248 V253 Y254 S255 | L207-L251 HydrophobicContact CD1-CD1 4.12Å; L207-L251 HydrophobicContact CD1-CD2 4.42Å; L207-L251 HydrophobicContact CD1-CG 4.36Å; L207-L251 HydrophobicContact CD2-CD2 4.46Å; L207-L251 HydrophobicContact CD2-CG 4.49Å; C247-L251 WeakPolarHBondContact O-CG 3.4Å; C247-L251 PolarHBondContact O-N 2.91Å; H248-L251 PolarHBondContact O-N 3.37Å; H248-L251 VanDerWaalsContact O-N 3.12Å; L251-V253 PolarHBondContact O-N 3.41Å; L251-V253 VanDerWaalsContact O-N 3.17Å; L251-Y254 WeakPolarHBondContact O-CB 3.44Å; L251-Y254 PolarHBondContact O-N 2.97Å; L251-S255 PolarHBondContact O-N 2.9Å |
| 252 | D | 92.6 | Very high | 76.9 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -19.7 | 173.6 | -71 | -18.8 | 0 | 0 | 0 | 112.9 | H248 I250 Y254 N256 | H248-D252 PolarHBondContact O-N 3.22Å; I250-D252 VanDerWaalsContact C-N 3.31Å; I250-D252 PolarHBondContact O-N 3.4Å; D252-Y254 PolarHBondContact O-N 2.93Å; D252-N256 PolarHBondContact O-N 3.41Å |
| 253 | V | 89.3 | Confident | 73.7 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 15% | 0.152 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 171.9 | -178 | 0 | 0 | 0 | 0 | 110.7 | C188 T189 I250 L251 | C188-V253 HydrophobicContact CB-CG1 4.42Å; T189-V253 HydrophobicContact CG2-CG2 3.51Å; I250-V253 VanDerWaalsContact O-CB 3.24Å; I250-V253 WeakPolarHBondContact O-CB 3.45Å; I250-V253 WeakPolarHBondContact O-CG2 3.36Å; I250-V253 PolarHBondContact O-N 2.84Å; I250-V253 VanDerWaalsContact O-N 3.13Å; L251-V253 PolarHBondContact O-N 3.41Å; L251-V253 VanDerWaalsContact O-N 3.17Å |
| 254 | Y | 88.7 | Confident | 70.5 | Confident | 83 Ų | 83 | 67 Ų | 67 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -79 | -33.8 | -178.7 | -64.1 | -93 | 0 | 0 | 0 | 112.5 | D185 L251 D252 | D185-Y254 PolarHBondContact OD2-OH 3.3Å; L251-Y254 WeakPolarHBondContact O-CB 3.44Å; L251-Y254 PolarHBondContact O-N 2.97Å; D252-Y254 PolarHBondContact O-N 2.93Å |
| 255 | S | 82.6 | Confident | 67.1 | Low | 47 Ų | 47 | 69.3 Ų | 69.3 | 33% | 0.329 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 178 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | L251 G257 T258 | L251-S255 PolarHBondContact O-N 2.9Å; S255-G257 VanDerWaalsContact C-N 3.34Å; S255-T258 PolarHBondContact O-OG1 3.3Å; S255-T258 VanDerWaalsContact O-OG1 3.13Å |
| 256 | N | 64.9 | Low | 64.2 | Low | 56 Ų | 56 | 73.1 Ų | 73.1 | 30% | 0.299 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -87.1 | -6 | -175.4 | -61.4 | 5.9 | 0 | 0 | 0 | 113 | D252 T258 D259 | D252-N256 PolarHBondContact O-N 3.41Å; N256-T258 PolarHBondContact O-N 3.26Å; N256-D259 PolarHBondContact O-N 3.19Å |
| 257 | G | 54.9 | Low | 61 | Low | 43 Ų | 43 | 78.5 Ų | 78.5 | 44% | 0.443 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -67.5 | -19.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S255 | S255-G257 VanDerWaalsContact C-N 3.34Š|
| 258 | T | 40.1 | Very low | 58.1 | Low | 95 Ų | 95 | 82.8 Ų | 82.8 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -76.4 | -24.9 | 178.8 | 42.9 | 0 | 0 | 0 | 0 | 113.7 | S255 N256 | S255-T258 PolarHBondContact O-OG1 3.3Å; S255-T258 VanDerWaalsContact O-OG1 3.13Å; N256-T258 PolarHBondContact O-N 3.26Å |
| 259 | D | 37.3 | Very low | 55.3 | Low | 113 Ų | 113 | 85.5 Ų | 85.5 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -88.9 | -14.4 | -172.6 | -69.6 | -31.5 | 0 | 0 | 0 | 114.4 | N256 K261 S262 | N256-D259 PolarHBondContact O-N 3.19Å; D259-K261 PolarHBondContact O-N 3.46Å; D259-S262 PolarHBondContact O-N 2.78Å; D259-S262 PolarHBondContact O-OG 3.47Å |
| 260 | L | 37.5 | Very low | 52.1 | Low | 114 Ų | 114 | 86.9 Ų | 86.9 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -74 | -6.1 | 175.3 | -86.9 | 118.2 | 0 | 0 | 0 | 114.1 | ||
| 261 | K | 33 | Very low | 49.2 | Very low | 175 Ų | 175 | 94.9 Ų | 94.9 | 76% | 0.761 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -99.5 | -4.1 | 176.6 | -69 | -177.5 | -179.6 | 173.5 | 0 | 114.1 | D259 | D259-K261 PolarHBondContact O-N 3.46Š|
| 262 | S | 29.2 | Very low | 46.1 | Very low | 73 Ų | 73 | 98.4 Ų | 98.4 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | trans | -116.4 | 13.6 | -174.9 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | D259 T264 | D259-S262 PolarHBondContact O-N 2.78Å; D259-S262 PolarHBondContact O-OG 3.47Å; S262-T264 PolarHBondContact O-N 2.82Å; S262-T264 PolarHBondContact O-OG1 3.4Å | ||
| 263 | G | 28.4 | Very low | 43.4 | Very low | 79 Ų | 79 | 100 Ų | 100 | 81% | 0.814 | 63% | 0.633 | S | S | * | * | trans | -65.9 | 74.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S265 | G263-S265 PolarHBondContact O-N 3.13Š| ||
| 264 | T | 28.9 | Very low | 40.9 | Very low | 120 Ų | 120 | 104.9 Ų | 104.9 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | trans | -59.8 | 123.1 | 172 | -56.2 | 0 | 0 | 0 | 0 | 108.7 | S262 | S262-T264 PolarHBondContact O-N 2.82Å; S262-T264 PolarHBondContact O-OG1 3.4Å | ||
| 265 | S | 26.6 | Very low | 38.3 | Very low | 103 Ų | 103 | 104.5 Ų | 104.5 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | -43.5 | 128.1 | 165.7 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | G263 S267 | G263-S265 PolarHBondContact O-N 3.13Å; S265-S267 PolarHBondContact O-N 3.02Å | ||
| 266 | P | 35.8 | Very low | 36.2 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 84% | 0.844 | 72% | 0.716 | S | S | * | * | trans | -64.4 | 116.4 | 177.8 | 25.7 | -31.3 | 0 | 0 | 0 | 108.7 | A268 | P266-A268 PolarHBondContact O-N 2.86Š| ||
| 267 | S | 30.7 | Very low | 34.8 | Very low | 113 Ų | 113 | 109.8 Ų | 109.8 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -45.9 | 120.5 | 178.1 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | S265 I269 | S265-S267 PolarHBondContact O-N 3.02Å; S267-I269 PolarHBondContact O-N 3.02Å | ||
| 268 | A | 36.1 | Very low | 33.8 | Very low | 98 Ų | 98 | 115.3 Ų | 115.3 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 126.8 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | P266 G270 | P266-A268 PolarHBondContact O-N 2.86Å; A268-G270 PolarHBondContact O-N 3.36Å |
| 269 | I | 37.4 | Very low | 33.5 | Very low | 170 Ų | 170 | 115.5 Ų | 115.5 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 130.3 | 175.3 | -68.6 | 162.3 | 0 | 0 | 0 | 110.2 | S267 | S267-I269 PolarHBondContact O-N 3.02Š|
| 270 | G | 28.3 | Very low | 33.1 | Very low | 68 Ų | 68 | 117 Ų | 117 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 147.4 | -171 | 0 | 0 | 0 | 0 | 0 | 115.6 | A268 | A268-G270 PolarHBondContact O-N 3.36Š|
| 271 | I | 35 | Very low | 32.8 | Very low | 167 Ų | 167 | 119.5 Ų | 119.5 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -136.6 | 132.4 | 153.3 | -57.9 | 179.3 | 0 | 0 | 0 | 106.3 | ||||
| 272 | P | 30.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | trans | -93.4 | 142.1 | -164 | 35.5 | -31.8 | 0 | 0 | 0 | 112.7 | ||||
| 273 | S | 36 | Very low | 32.7 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 176.2 | 121.2 | 134.4 | 36.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 274 | S | 37 | Very low | 32.8 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 59.9 | 115.6 | 136.4 | -55.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 275 | G | 35.1 | Very low | 32.9 | Very low | 76 Ų | 76 | 124.3 Ų | 124.3 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 137.5 | 98.2 | 136.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 276 | S | 37.4 | Very low | 33.2 | Very low | 126 Ų | 126 | 125 Ų | 125 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | 67.5 | 107 | 145.2 | -72.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 277 | A | 35.3 | Very low | 33.1 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | 70 | 98.6 | 119.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 278 | I | 35.3 | Very low | 33.2 | Very low | 160 Ų | 160 | 123 Ų | 123 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | 43.4 | 151.3 | 115.2 | -55.1 | 175.2 | 0 | 0 | 0 | 120 | |||||
| 279 | P | 34 | Very low | 33.1 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -133.8 | 156.9 | -5.7 | 25.3 | -2 | 0 | 0 | 0 | 118.4 | ||||
| 280 | I | 27.5 | Very low | 33.1 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | 43.6 | 112.7 | 126.1 | -46.1 | 167 | 0 | 0 | 0 | 119.8 | Q282 | I280-Q282 HydrophobicContact CG2-CG 4.35Š| |||
| 281 | I | 32.1 | Very low | 33.3 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | -129 | 119.5 | 145.9 | -69.2 | -177.9 | 0 | 0 | 0 | 109 | ||||
| 282 | Q | 27.5 | Very low | 33.3 | Very low | 180 Ų | 180 | 123.4 Ų | 123.4 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -75.4 | 132.6 | 170.8 | -69.3 | 169.8 | -39.2 | 0 | 0 | 109.5 | I280 | I280-Q282 HydrophobicContact CG2-CG 4.35Š| ||
| 283 | A | 31.2 | Very low | 33.4 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | trans | -115 | 140.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 284 | P | 31.5 | Very low | 33.4 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -74.7 | 135.5 | -173.5 | -0.3 | 17.1 | 0 | 0 | 0 | 110.9 | V286 | P284-V286 PolarHBondContact O-N 3.47Š| ||
| 285 | I | 30.8 | Very low | 33.5 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | trans | -71.5 | 107.4 | 172 | -63 | 166.2 | 0 | 0 | 0 | 107.9 | ||||
| 286 | V | 33.7 | Very low | 33.6 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 123.8 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | P284 | P284-V286 PolarHBondContact O-N 3.47Š|
| 287 | P | 32 | Very low | 33.6 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 153.6 | 171.4 | 27.9 | -31.9 | 0 | 0 | 0 | 109.8 | ||
| 288 | P | 34.2 | Very low | 34 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -56 | 133.4 | -180 | 24.9 | -31.9 | 0 | 0 | 0 | 109.3 | N290 | P288-N290 PolarHBondContact O-N 2.94Å; P288-N290 VanDerWaalsContact O-N 3.09Å |
| 289 | P | 34.5 | Very low | 34.3 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | trans | -66.5 | 115.4 | -177.1 | 21.9 | -27.1 | 0 | 0 | 0 | 109.8 | H291 | P289-H291 HydrophobicContact CB-CB 4.47Å; P289-H291 VanDerWaalsContact CB-CD2 3.45Å; P289-H291 WeakPolarHBondContact CB-CD2 3.49Å; P289-H291 PolarHBondContact O-N 3.43Å | ||
| 290 | N | 36 | Very low | 34.6 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | trans | -64.6 | 75.7 | 159 | -91.1 | -12.4 | 0 | 0 | 0 | 108.8 | P288 | P288-N290 PolarHBondContact O-N 2.94Å; P288-N290 VanDerWaalsContact O-N 3.09Å | ||
| 291 | H | 33.7 | Very low | 35.3 | Very low | 148 Ų | 148 | 128 Ų | 128 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -127.5 | 48 | 175.2 | -65.8 | -33.8 | 0 | 0 | 0 | 110.8 | P289 L293 | P289-H291 HydrophobicContact CB-CB 4.47Å; P289-H291 VanDerWaalsContact CB-CD2 3.45Å; P289-H291 WeakPolarHBondContact CB-CD2 3.49Å; P289-H291 PolarHBondContact O-N 3.43Å; H291-L293 VanDerWaalsContact C-N 3.27Å | ||
| 292 | L | 34.2 | Very low | 36.1 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 56% | 0.555 | 73% | 0.729 | S | S | * | * | trans | -100.8 | 42.7 | 157.2 | -67.2 | 174.5 | 0 | 0 | 0 | 109.8 | ||||
| 293 | L | 33.2 | Very low | 37.2 | Very low | 108 Ų | 108 | 125 Ų | 125 | 57% | 0.565 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 138.3 | 163.8 | -81.2 | 161.3 | 0 | 0 | 0 | 107.8 | H291 L425 | H291-L293 VanDerWaalsContact C-N 3.27Å; L293-L425 HydrophobicContact CD2-CD1 3.66Å |
| 294 | P | 35 | Very low | 38.6 | Very low | 63 Ų | 63 | 126.2 Ų | 126.2 | 41% | 0.409 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -56 | 153.9 | 167.8 | -14 | 27.6 | 0 | 0 | 0 | 109.8 | Q296 P422 | P294-Q296 PolarHBondContact O-N 2.97Å; P294-P422 HydrophobicContact CB-CG 3.43Å; P294-P422 VanDerWaalsContact CB-CG 3.43Å; P294-P422 HydrophobicContact CG-CB 3.87Å; P294-P422 HydrophobicContact CG-CG 3.17Å |
| 295 | P | 38.6 | Very low | 40.4 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 130 | -176.8 | 18.3 | -25.3 | 0 | 0 | 0 | 110.4 | ||
| 296 | Q | 38.5 | Very low | 42.2 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 136.6 | 171.6 | -78.2 | -170.7 | 0.1 | 0 | 0 | 109 | P294 | P294-Q296 PolarHBondContact O-N 2.97Š|
| 297 | P | 36.2 | Very low | 43.7 | Very low | 110 Ų | 110 | 124 Ų | 124 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59 | 143.7 | 172.1 | 25.4 | -31.6 | 0 | 0 | 0 | 109 | T299 | P297-T299 PolarHBondContact O-N 2.92Š|
| 298 | P | 43.7 | Very low | 45.3 | Very low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 129.9 | -177.8 | 22.3 | -31.3 | 0 | 0 | 0 | 109.7 | V300 | P298-V300 PolarHBondContact O-N 3.22Š|
| 299 | T | 42.7 | Very low | 46.9 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 126.1 | 171.4 | -44.2 | 0 | 0 | 0 | 0 | 108.8 | P297 M301 | P297-T299 PolarHBondContact O-N 2.92Å; T299-M301 VanDerWaalsContact C-N 3.29Å; T299-M301 PolarHBondContact O-N 3.27Å |
| 300 | V | 39.4 | Very low | 48.2 | Very low | 134 Ų | 134 | 129 Ų | 129 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | trans | -53.5 | 91.7 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 109 | P298 Q302 | P298-V300 PolarHBondContact O-N 3.22Å; V300-Q302 PolarHBondContact O-N 3.08Å | ||
| 301 | M | 43.3 | Very low | 49.6 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | trans | -67 | 124.8 | 157.9 | -81.5 | 179.1 | 62.8 | 0 | 0 | 105.9 | T299 | T299-M301 VanDerWaalsContact C-N 3.29Å; T299-M301 PolarHBondContact O-N 3.27Å | ||
| 302 | Q | 48.6 | Very low | 50.4 | Low | 174 Ų | 174 | 124.8 Ų | 124.8 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -43.5 | 138.1 | 174 | -78.8 | 174.3 | -47 | 0 | 0 | 110.3 | V300 | V300-Q302 PolarHBondContact O-N 3.08Š| ||
| 303 | P | 50.3 | Low | 51.3 | Low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 133.7 | 175.9 | 24.5 | -30.9 | 0 | 0 | 0 | 108.6 | ||
| 304 | P | 60.4 | Low | 52.7 | Low | 113 Ų | 113 | 128.7 Ų | 128.7 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148.2 | 171.5 | 26.1 | -31.4 | 0 | 0 | 0 | 109.1 | ||
| 305 | P | 69.4 | Low | 53.8 | Low | 115 Ų | 115 | 131.5 Ų | 131.5 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57 | 147.4 | 175.7 | 23.6 | -32.1 | 0 | 0 | 0 | 110.5 | ||
| 306 | P | 68.5 | Low | 55.4 | Low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59 | 140.4 | -177.1 | 23.7 | -32.5 | 0 | 0 | 0 | 110.7 | ||
| 307 | P | 66.1 | Low | 57.1 | Low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 138.4 | 179.3 | 26.8 | -31.7 | 0 | 0 | 0 | 110.1 | ||
| 308 | H | 64 | Low | 58.8 | Low | 177 Ų | 177 | 128.3 Ų | 128.3 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141.7 | 170.8 | -64.4 | -74.4 | 0 | 0 | 0 | 110.3 | ||
| 309 | P | 68.6 | Low | 60 | Low | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 137.6 | 178.7 | 24.5 | -31.4 | 0 | 0 | 0 | 109.8 | ||
| 310 | P | 62.1 | Low | 61.5 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.6 | 176 | 27.1 | -31.5 | 0 | 0 | 0 | 109.5 | A312 | P310-A312 PolarHBondContact O-N 3.42Š|
| 311 | P | 64 | Low | 62.4 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136 | 171.6 | 25.8 | -31.6 | 0 | 0 | 0 | 109 | L313 | P311-L313 PolarHBondContact O-N 3.31Š|
| 312 | A | 51.9 | Low | 63.1 | Low | 99 Ų | 99 | 128.2 Ų | 128.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -54.7 | 105.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | P310 V314 | P310-A312 PolarHBondContact O-N 3.42Å; A312-V314 PolarHBondContact O-N 2.94Å | ||
| 313 | L | 53.1 | Low | 63.3 | Low | 159 Ų | 159 | 127.5 Ų | 127.5 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -78.8 | 107.1 | 164.3 | -89.8 | 163.1 | 0 | 0 | 0 | 107.8 | P311 V315 | P311-L313 PolarHBondContact O-N 3.31Å; L313-V315 PolarHBondContact O-N 3.22Å; L313-V315 VanDerWaalsContact O-N 3.14Å | ||
| 314 | V | 61.3 | Low | 63 | Low | 138 Ų | 138 | 127.6 Ų | 127.6 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -63.6 | 106 | 167.9 | 176.2 | 0 | 0 | 0 | 0 | 107.8 | A312 | A312-V314 PolarHBondContact O-N 2.94Š| ||
| 315 | V | 59.3 | Low | 62.3 | Low | 121 Ų | 121 | 129.1 Ų | 129.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -104.9 | 127.9 | 170 | -179 | 0 | 0 | 0 | 0 | 108 | L313 | L313-V315 PolarHBondContact O-N 3.22Å; L313-V315 VanDerWaalsContact O-N 3.14Å | ||
| 316 | P | 71 | Confident | 61 | Low | 106 Ų | 106 | 129.4 Ų | 129.4 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 158.3 | -177 | 27.3 | -34 | 0 | 0 | 0 | 112.7 | ||
| 317 | P | 75.3 | Confident | 59.4 | Low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 153.2 | -175.8 | 28.4 | -34.3 | 0 | 0 | 0 | 113 | ||
| 318 | P | 71.9 | Confident | 58.1 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 155.2 | 178.6 | 29.7 | -34.1 | 0 | 0 | 0 | 112.5 | ||
| 319 | P | 69.4 | Low | 57.1 | Low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 155.6 | 174.3 | 25.5 | -23.9 | 0 | 0 | 0 | 111.8 | ||
| 320 | P | 72.4 | Confident | 55.8 | Low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 159.1 | -176.3 | 28.3 | -32.8 | 0 | 0 | 0 | 113.1 | ||
| 321 | P | 58.7 | Low | 55.1 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.3 | -172.4 | -1.7 | 17.8 | 0 | 0 | 0 | 111.8 | ||
| 322 | Q | 57.8 | Low | 54.2 | Low | 197 Ų | 197 | 128.4 Ų | 128.4 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 134.1 | 164.7 | -71.8 | -167.3 | -28.3 | 0 | 0 | 110.6 | ||
| 323 | L | 54.2 | Low | 53.7 | Low | 159 Ų | 159 | 131.4 Ų | 131.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 153.2 | -176.7 | -73.8 | 154.9 | 0 | 0 | 0 | 113 | ||
| 324 | P | 42.6 | Very low | 53.1 | Low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 133.5 | 178.1 | 31.2 | -32.1 | 0 | 0 | 0 | 110.8 | ||
| 325 | V | 46.5 | Very low | 52.2 | Low | 145 Ų | 145 | 128 Ų | 128 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -112.6 | 111.8 | 169.5 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 326 | T | 42.3 | Very low | 51.3 | Low | 121 Ų | 121 | 126.8 Ų | 126.8 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -99.6 | 124.7 | 175 | -23.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 327 | S | 35.5 | Very low | 50.3 | Low | 121 Ų | 121 | 129.1 Ų | 129.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | 48.4 | 113.1 | 150.3 | -56.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 328 | G | 39.2 | Very low | 48.9 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -149.1 | 115.1 | 160 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 329 | L | 41.4 | Very low | 47.4 | Very low | 168 Ų | 168 | 129.1 Ų | 129.1 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -59.5 | 140.2 | 177.3 | -73.8 | 137.2 | 0 | 0 | 0 | 113.3 | ||||
| 330 | A | 42 | Very low | 46.2 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -160.2 | 123 | 149.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 331 | H | 48.1 | Very low | 44.8 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | trans | -70.4 | -169.8 | 159.7 | -55.6 | -78.5 | 0 | 0 | 0 | 110.2 | ||||
| 332 | P | 44.9 | Very low | 43.9 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | cis | -145 | -169.2 | -0.4 | 30.1 | -2.9 | 0 | 0 | 0 | 115.7 | ||||
| 333 | M | 41.6 | Very low | 42.9 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | 78.8 | 103.4 | 152.3 | -58.9 | -146.7 | -151.2 | 0 | 0 | 118.9 | ||||
| 334 | T | 40.5 | Very low | 42.1 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | 84 | 134.4 | 80.4 | 53.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 335 | A | 42 | Very low | 42 | Very low | 96 Ų | 96 | 129 Ų | 129 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | 80.2 | 134.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 336 | S | 41.3 | Very low | 41.6 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | cis | -177 | 139.4 | 3.5 | -107.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 337 | I | 48.5 | Very low | 41.6 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | trans | 70.3 | 148.5 | 140.4 | -53.9 | 166.5 | 0 | 0 | 0 | 118.6 | ||||
| 338 | P | 45.8 | Very low | 41.3 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | cis | -129.2 | -176 | -29.8 | 37.7 | -18.3 | 0 | 0 | 0 | 113.4 | ||||
| 339 | P | 40.5 | Very low | 41.1 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -97.1 | 157.9 | -168.4 | 36.7 | -29.3 | 0 | 0 | 0 | 114.9 | ||||
| 340 | M | 45 | Very low | 40.9 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 96% | 0.961 | 77% | 0.772 | S | S | * | * | trans | -120.2 | 131.1 | 172.8 | -95.9 | -100.9 | -177.6 | 0 | 0 | 111.4 | ||||
| 341 | I | 43 | Very low | 40.5 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -77.3 | 148.5 | -179.3 | -75.2 | 157 | 0 | 0 | 0 | 110.5 | T343 | I341-T343 HydrophobicContact CG2-CG2 4.07Š| ||
| 342 | S | 38.8 | Very low | 39.7 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -148.8 | 99.3 | 139.5 | -130.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 343 | T | 38.1 | Very low | 39.3 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 63% | 0.632 | 77% | 0.77 | S | S | * | * | trans | -85.2 | 146.2 | 169.2 | 42.1 | 0 | 0 | 0 | 0 | 110.7 | I341 | I341-T343 HydrophobicContact CG2-CG2 4.07Š| ||
| 344 | L | 36.9 | Very low | 38.9 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 94% | 0.937 | 77% | 0.769 | S | S | * | * | trans | -141.6 | 134 | 142.2 | -85.7 | -179.4 | 0 | 0 | 0 | 111.8 | ||||
| 345 | P | 41.3 | Very low | 38.8 | Very low | 86 Ų | 86 | 138 Ų | 138 | 56% | 0.558 | 77% | 0.773 | S | S | * | * | trans | -135.8 | 178.3 | -163.6 | 30.9 | -4.8 | 0 | 0 | 0 | 116.6 | ||||
| 346 | F | 38 | Very low | 38.5 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 80% | 0.803 | 77% | 0.77 | S | S | * | * | trans | 74.8 | 164.9 | 153.4 | -67.6 | -61.3 | 0 | 0 | 0 | 120.9 | ||||
| 347 | P | 40.8 | Very low | 38.3 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | cis | -135.1 | 167.2 | -0.1 | 19.5 | 6.6 | 0 | 0 | 0 | 118 | ||||
| 348 | L | 30 | Very low | 38.1 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -60.3 | 149.4 | 160.1 | -76 | 143.7 | 0 | 0 | 0 | 113.7 | ||||
| 349 | N | 36 | Very low | 37.7 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | -173.5 | 133.6 | 124 | -138.1 | 22.1 | 0 | 0 | 0 | 116.2 | |||||
| 350 | M | 36.4 | Very low | 37.5 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | 52 | 122.5 | 137.1 | -65.6 | -104.5 | 76.3 | 0 | 0 | 123.2 | ||||
| 351 | Q | 34.3 | Very low | 37.2 | Very low | 158 Ų | 158 | 143 Ų | 143 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | 133.7 | 122.4 | 109.4 | -151.3 | 86 | -22.8 | 0 | 0 | 114.4 | |||||
| 352 | L | 29.6 | Very low | 36.9 | Very low | 133 Ų | 133 | 143 Ų | 143 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | trans | -71.2 | 166 | 165.6 | -109.8 | 89.2 | 0 | 0 | 0 | 112 | Q354 | L352-Q354 HydrophobicContact CD2-CG 3.97Š| ||
| 353 | P | 37.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | -137.7 | 134.2 | 108.6 | 24.1 | -5.5 | 0 | 0 | 0 | 114.6 | |||||
| 354 | Q | 33.6 | Very low | 37.2 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -74.9 | 136.2 | 153.6 | -83.9 | 170.7 | -25.2 | 0 | 0 | 108.7 | L352 | L352-Q354 HydrophobicContact CD2-CG 3.97Š| ||
| 355 | N | 38 | Very low | 37.4 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -132.7 | 113.7 | 156 | -100.3 | -10.2 | 0 | 0 | 0 | 109.2 | ||||
| 356 | S | 35.1 | Very low | 38.6 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -71.3 | 145.6 | 165.7 | -50.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 357 | L | 37.5 | Very low | 39.8 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -175.9 | 112.7 | 133.6 | -100.5 | 158.9 | 0 | 0 | 0 | 112.1 | ||||
| 358 | H | 44 | Very low | 40.8 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 39 | 131.4 | 140.3 | -91.2 | -43.2 | 0 | 0 | 0 | 124.4 | ||||
| 359 | D | 38.4 | Very low | 42.8 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 70.2 | 96.7 | 129.8 | -67 | -4 | 0 | 0 | 0 | 120.6 | |||||
| 360 | G | 36 | Very low | 44.3 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | 50.3 | 103.9 | 104 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 361 | R | 37.9 | Very low | 44.9 | Very low | 252 Ų | 252 | 139.4 Ų | 139.4 | 95% | 0.951 | 79% | 0.789 | S | S | * | * | -170.2 | 136.1 | 120.8 | -112.4 | 173 | 170.2 | 153.8 | -3.1 | 113.1 | |||||
| 362 | V | 36.5 | Very low | 46 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -58.9 | 133.4 | 167.7 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 363 | S | 39.4 | Very low | 47.2 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -179.8 | 122.7 | 135.5 | -100.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 364 | M | 44.5 | Very low | 47.3 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | 56.4 | 119.7 | 128.1 | -58 | -70.9 | -137.4 | 0 | 0 | 120.7 | |||||
| 365 | I | 40.3 | Very low | 48 | Very low | 162 Ų | 162 | 133 Ų | 133 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -64.7 | 148.6 | 167.5 | -60.7 | 159.9 | 0 | 0 | 0 | 111.6 | ||||
| 366 | P | 67.2 | Low | 48.6 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -119.4 | 152.4 | 145.6 | 29.8 | -15.6 | 0 | 0 | 0 | 113.2 | ||||
| 367 | P | 63.6 | Low | 48.8 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 168.7 | -172.8 | 35.6 | -35.3 | 0 | 0 | 0 | 113.3 | ||
| 368 | P | 60.3 | Low | 49.3 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 153.2 | -170.5 | 34.3 | -33.7 | 0 | 0 | 0 | 113.3 | ||
| 369 | P | 73.7 | Confident | 49.1 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 158.1 | 174.6 | 32.6 | -31.9 | 0 | 0 | 0 | 113.6 | ||
| 370 | P | 66.6 | Low | 49.2 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 168.7 | -173.6 | 35.3 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 371 | P | 48.5 | Very low | 49.5 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 140.1 | -163.4 | 34.2 | -32 | 0 | 0 | 0 | 113.3 | ||
| 372 | A | 57.1 | Low | 49.8 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -106.6 | 137.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 373 | A | 54.9 | Low | 50.3 | Low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -79.6 | 171.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 374 | P | 41 | Very low | 50.9 | Low | 129 Ų | 129 | 127 Ų | 127 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -93.2 | 152.2 | -140.7 | 36.6 | -36.8 | 0 | 0 | 0 | 114.9 | ||||
| 375 | S | 47.1 | Very low | 51.1 | Low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -133.2 | 115.8 | 165.5 | 23 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 376 | V | 50.5 | Low | 51.2 | Low | 131 Ų | 131 | 123.5 Ų | 123.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 37.1 | 128.4 | 146 | -155.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 377 | P | 40.8 | Very low | 50 | Low | 125 Ų | 125 | 123.7 Ų | 123.7 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -77.6 | 128.4 | -173.8 | 31.5 | -33.3 | 0 | 0 | 0 | 112.8 | ||||
| 378 | V | 46.2 | Very low | 48.6 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -99.3 | 134.8 | 163.7 | 174.7 | 0 | 0 | 0 | 0 | 108.7 | A380 | V378-A380 PolarHBondContact O-N 2.93Š| ||
| 379 | T | 39.9 | Very low | 47.4 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -45.7 | 114.2 | 179 | -28.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 380 | A | 40.6 | Very low | 45.4 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 119.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V378 | V378-A380 PolarHBondContact O-N 2.93Š|
| 381 | Q | 43.6 | Very low | 43.8 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 146.4 | 162.3 | -84.1 | 177.9 | -68.2 | 0 | 0 | 110.6 | ||
| 382 | P | 44.8 | Very low | 43 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 143.1 | 173.5 | 28.8 | -31.7 | 0 | 0 | 0 | 111.5 | ||
| 383 | P | 45.3 | Very low | 41.8 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 155.7 | 176.5 | 31.7 | -33.8 | 0 | 0 | 0 | 112 | ||
| 384 | P | 52.5 | Low | 40.9 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 155.3 | -178 | 30.9 | -34 | 0 | 0 | 0 | 113 | ||
| 385 | P | 48.4 | Very low | 40.6 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 141.3 | -175.5 | 29.8 | -32.8 | 0 | 0 | 0 | 113 | ||
| 386 | V | 43.8 | Very low | 40.3 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 139.2 | 175.5 | -131.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 387 | P | 40.6 | Very low | 39.7 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 130 | -177.1 | -11.6 | 27.1 | 0 | 0 | 0 | 112.9 | S389 | P387-S389 PolarHBondContact O-N 2.88Š|
| 388 | M | 34.2 | Very low | 39.3 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -79.8 | 101.6 | 169.3 | -89.4 | -102.4 | -76.9 | 0 | 0 | 110 | ||||
| 389 | S | 34.6 | Very low | 38.6 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -143.8 | 68.8 | 167.2 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | P387 | P387-S389 PolarHBondContact O-N 2.88Š| ||
| 390 | V | 33.2 | Very low | 38.2 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -168.6 | 85.3 | 158.7 | -104.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 391 | L | 31.8 | Very low | 37.9 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -161.1 | 59.9 | 158.5 | -112.7 | 143.8 | 0 | 0 | 0 | 109.1 | I394 | L391-I394 HydrophobicContact CD2-CD1 4.35Š| ||
| 392 | S | 32.3 | Very low | 37.3 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -132.1 | 76.1 | 174.3 | 50.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 393 | T | 32.2 | Very low | 36.7 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -179.6 | 84.8 | 156.5 | 42.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 394 | I | 35.7 | Very low | 36 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -124.3 | 119.3 | 161.1 | -59.1 | 178 | 0 | 0 | 0 | 106.7 | L391 | L391-I394 HydrophobicContact CD2-CD1 4.35Š| ||
| 395 | P | 33.8 | Very low | 34.9 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 154.4 | 180 | 29.9 | -31.9 | 0 | 0 | 0 | 111.3 | ||
| 396 | P | 40.8 | Very low | 34.1 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 151.8 | -179.8 | 27.2 | -33.2 | 0 | 0 | 0 | 111.8 | L398 | P396-L398 PolarHBondContact O-N 3.45Š|
| 397 | P | 38 | Very low | 33.4 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 133.3 | 179.6 | 27.5 | -31.4 | 0 | 0 | 0 | 110.8 | I399 | P397-I399 PolarHBondContact O-N 3.21Š|
| 398 | L | 32.6 | Very low | 33 | Very low | 141 Ų | 141 | 141 Ų | 141 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 127.2 | 176.4 | -70.6 | 177.3 | 0 | 0 | 0 | 111.1 | P396 Y400 | P396-L398 PolarHBondContact O-N 3.45Å; L398-Y400 HydrophobicContact CB-CD2 4.42Å; L398-Y400 HydrophobicContact CB-CE2 4.3Å; L398-Y400 HydrophobicContact CD1-CE2 4.49Å; L398-Y400 PolarHBondContact O-N 3.5Å |
| 399 | I | 31.6 | Very low | 32.8 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -70.9 | 113.4 | 165.8 | -62 | 171.1 | 0 | 0 | 0 | 107.5 | P397 | P397-I399 PolarHBondContact O-N 3.21Š| ||
| 400 | Y | 32.8 | Very low | 32.5 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 127.3 | 168 | -91 | -88.1 | 0 | 0 | 0 | 110 | L398 | L398-Y400 HydrophobicContact CB-CD2 4.42Å; L398-Y400 HydrophobicContact CB-CE2 4.3Å; L398-Y400 HydrophobicContact CD1-CE2 4.49Å; L398-Y400 PolarHBondContact O-N 3.5Å |
| 401 | P | 32.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131.3 | 166.9 | 30.1 | -29.8 | 0 | 0 | 0 | 109.8 | Q403 | P401-Q403 PolarHBondContact O-N 2.93Š|
| 402 | S | 31.6 | Very low | 32.1 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67 | 124.6 | 178.1 | 38.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 403 | Q | 32.3 | Very low | 32.1 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -122.2 | 145 | 163.6 | -80.1 | -122.4 | 3.2 | 0 | 0 | 110 | P401 | P401-Q403 PolarHBondContact O-N 2.93Š| ||
| 404 | Q | 30.7 | Very low | 32 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | -64.8 | 149.2 | -163.6 | -72.6 | 147.2 | -44 | 0 | 0 | 115 | ||||
| 405 | G | 30 | Very low | 31.7 | Very low | 67 Ų | 67 | 144.3 Ų | 144.3 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | -171.7 | 87.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 406 | Y | 31.4 | Very low | 31.4 | Very low | 234 Ų | 234 | 144.2 Ų | 144.2 | 92% | 0.918 | 76% | 0.76 | S | S | * | * | trans | 60 | 110.5 | 151 | -73.8 | -91.5 | 0 | 0 | 0 | 121.5 | ||||
| 407 | L | 28.1 | Very low | 30.8 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 67% | 0.665 | 77% | 0.765 | S | S | * | * | trans | -96.6 | 164.1 | 152.2 | -68.1 | -177.2 | 0 | 0 | 0 | 110.1 | ||||
| 408 | P | 32.4 | Very low | 30.4 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | S | Bend | -131 | 91.3 | 121.9 | 34.8 | -22.7 | 0 | 0 | 0 | 110.7 | |||
| 409 | Y | 30.7 | Very low | 30.5 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -166.9 | 81.3 | 140.9 | -108.1 | -76.7 | 0 | 0 | 0 | 105.4 | M411 | Y409-M411 PolarHBondContact O-N 3.39Š| ||
| 410 | Q | 27.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -77.9 | 95.6 | 173.4 | -95.2 | -163.4 | -60 | 0 | 0 | 108.8 | ||||
| 411 | M | 30.4 | Very low | 30.6 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | -93.9 | 102.2 | 143.7 | -98.3 | -71.7 | -143.2 | 0 | 0 | 106.7 | Y409 F413 | Y409-M411 PolarHBondContact O-N 3.39Å; M411-F413 HydrophobicContact CB-CD2 4.09Å; M411-F413 HydrophobicContact CB-CE2 3.56Å; M411-F413 HydrophobicContact CB-CZ 4.17Å; M411-F413 HydrophobicContact CE-CE2 4.39Å; M411-F413 HydrophobicContact CE-CZ 3.7Å; M411-F413 HydrophobicContact CG-CE2 3.95Å; M411-F413 HydrophobicContact CG-CZ 4.13Å; M411-F413 PolarHBondContact O-N 3.33Å; M411-F413 HydrophobicContact SD-CE1 4.21Å; M411-F413 HydrophobicContact SD-CE2 3.9Å; M411-F413 HydrophobicContact SD-CZ 3.47Å; M411-F413 WeakPolarHBondContact SD-CZ 3.17Å | ||
| 412 | S | 27.9 | Very low | 30.7 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | trans | -75.8 | 105.6 | 175.4 | -54.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 413 | F | 31.6 | Very low | 30.8 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 47% | 0.474 | 71% | 0.714 | S | S | . | * | trans | -111.4 | 125.9 | 169.4 | -67.8 | -64.5 | 0 | 0 | 0 | 109.8 | M411 F415 | M411-F413 HydrophobicContact CB-CD2 4.09Å; M411-F413 HydrophobicContact CB-CE2 3.56Å; M411-F413 HydrophobicContact CB-CZ 4.17Å; M411-F413 HydrophobicContact CE-CE2 4.39Å; M411-F413 HydrophobicContact CE-CZ 3.7Å; M411-F413 HydrophobicContact CG-CE2 3.95Å; M411-F413 HydrophobicContact CG-CZ 4.13Å; M411-F413 PolarHBondContact O-N 3.33Å; M411-F413 HydrophobicContact SD-CE1 4.21Å; M411-F413 HydrophobicContact SD-CE2 3.9Å; M411-F413 HydrophobicContact SD-CZ 3.47Å; M411-F413 WeakPolarHBondContact SD-CZ 3.17Å; F413-F415 PolarHBondContact O-N 3.2Å; F413-F415 VanDerWaalsContact O-N 3.15Å | ||
| 414 | P | 29.6 | Very low | 31 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -69.2 | 111.4 | 171.1 | 27.1 | -29.2 | 0 | 0 | 0 | 108.5 | T416 | P414-T416 PolarHBondContact O-N 3.36Å; P414-T416 VanDerWaalsContact O-N 3.07Å | ||
| 415 | F | 28.9 | Very low | 31.2 | Very low | 203 Ų | 203 | 124.6 Ų | 124.6 | 89% | 0.89 | 70% | 0.695 | S | S | * | * | trans | -61.6 | 108.2 | 167.2 | -85.5 | -91.5 | 0 | 0 | 0 | 108.6 | F413 | F413-F415 PolarHBondContact O-N 3.2Å; F413-F415 VanDerWaalsContact O-N 3.15Å | ||
| 416 | T | 27.5 | Very low | 31.4 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | trans | -118 | 107.7 | 154.5 | -30.7 | 0 | 0 | 0 | 0 | 105.4 | P414 T418 | P414-T416 PolarHBondContact O-N 3.36Å; P414-T416 VanDerWaalsContact O-N 3.07Å; T416-T418 VanDerWaalsContact C-N 3.29Å; T416-T418 HydrophobicContact CG2-CG2 4.42Å; T416-T418 PolarHBondContact O-N 3.43Å | ||
| 417 | T | 29.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | trans | -68.5 | 88.4 | 174.1 | 42.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 418 | T | 30.4 | Very low | 31.9 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | trans | -117 | 108.9 | 165.8 | 53.6 | 0 | 0 | 0 | 0 | 107.5 | T416 V420 | T416-T418 VanDerWaalsContact C-N 3.29Å; T416-T418 HydrophobicContact CG2-CG2 4.42Å; T416-T418 PolarHBondContact O-N 3.43Å; T418-V420 PolarHBondContact O-N 3.41Å | ||
| 419 | S | 33 | Very low | 31.9 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 70% | 0.697 | S | S | * | * | trans | -52.6 | 106.7 | 168.1 | 55.5 | 0 | 0 | 0 | 0 | 108.8 | P421 | S419-P421 WeakPolarHBondContact O-CD 3.43Š| ||
| 420 | V | 33.7 | Very low | 31.8 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 62% | 0.618 | 70% | 0.702 | S | S | * | * | trans | -82.9 | 113.8 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 106.6 | T418 | T418-V420 PolarHBondContact O-N 3.41Š| ||
| 421 | P | 33.4 | Very low | 32 | Very low | 98 Ų | 98 | 117 Ų | 117 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 151.1 | 174.9 | 27.7 | -32.9 | 0 | 0 | 0 | 109.9 | S419 | S419-P421 WeakPolarHBondContact O-CD 3.43Š|
| 422 | P | 35.3 | Very low | 32 | Very low | 58 Ų | 58 | 114.9 Ų | 114.9 | 38% | 0.377 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 148.3 | 175.7 | 22.7 | -32.3 | 0 | 0 | 0 | 111.2 | P294 | P294-P422 HydrophobicContact CB-CG 3.43Å; P294-P422 VanDerWaalsContact CB-CG 3.43Å; P294-P422 HydrophobicContact CG-CB 3.87Å; P294-P422 HydrophobicContact CG-CG 3.17Å |
| 423 | P | 33.9 | Very low | 32.2 | Very low | 92 Ų | 92 | 118 Ų | 118 | 60% | 0.597 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143.9 | -180 | 25 | -32.5 | 0 | 0 | 0 | 111.4 | ||
| 424 | P | 35.7 | Very low | 32.2 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 145.6 | 179.6 | 29.1 | -32.4 | 0 | 0 | 0 | 111.7 | ||
| 425 | L | 34.5 | Very low | 32.2 | Very low | 112 Ų | 112 | 116.4 Ų | 116.4 | 59% | 0.586 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 144.7 | 174.4 | -78.6 | 156 | 0 | 0 | 0 | 111.8 | L293 | L293-L425 HydrophobicContact CD2-CD1 3.66Š|
| 426 | P | 34.1 | Very low | 32.3 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 152.8 | 171 | 27.3 | -32.5 | 0 | 0 | 0 | 111.8 | T428 | P426-T428 PolarHBondContact O-N 2.92Š|
| 427 | P | 36 | Very low | 32.3 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.5 | -175.8 | 26.2 | -32.2 | 0 | 0 | 0 | 111.4 | F429 | P427-F429 PolarHBondContact O-N 3.41Š|
| 428 | T | 35.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 115.1 Ų | 115.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -67.3 | 114 | 169.9 | 37.6 | 0 | 0 | 0 | 0 | 109.5 | P426 S430 | P426-T428 PolarHBondContact O-N 2.92Å; T428-S430 PolarHBondContact O-N 3.15Å | ||
| 429 | F | 31.5 | Very low | 32.3 | Very low | 206 Ų | 206 | 119.4 Ų | 119.4 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | trans | -57.7 | 107.1 | 170 | -99.1 | -94.3 | 0 | 0 | 0 | 109.7 | P427 G431 | P427-F429 PolarHBondContact O-N 3.41Å; F429-G431 PolarHBondContact O-N 3.24Å | ||
| 430 | S | 28.1 | Very low | 32.4 | Very low | 125 Ų | 125 | 118 Ų | 118 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -80.2 | 93.7 | 162.2 | -70.1 | 0 | 0 | 0 | 0 | 107.7 | T428 | T428-S430 PolarHBondContact O-N 3.15Š| ||
| 431 | G | 31.8 | Very low | 32.4 | Very low | 70 Ų | 70 | 117.8 Ų | 117.8 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -116.9 | 117.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F429 | F429-G431 PolarHBondContact O-N 3.24Š| ||
| 432 | A | 31.1 | Very low | 32.5 | Very low | 97 Ų | 97 | 117.3 Ų | 117.3 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | -69.4 | 148.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 433 | N | 30.9 | Very low | 32.6 | Very low | 156 Ų | 156 | 118.1 Ų | 118.1 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | 73.8 | 129.4 | 154.3 | -91.6 | -9.1 | 0 | 0 | 0 | 121.5 | ||||
| 434 | S | 32.5 | Very low | 32.7 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 88.7 | 108.5 | 150.1 | 68.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 435 | G | 28.3 | Very low | 32.8 | Very low | 74 Ų | 74 | 116.9 Ų | 116.9 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | 86.9 | 116.8 | 133.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 436 | Q | 32.1 | Very low | 33 | Very low | 202 Ų | 202 | 116.9 Ų | 116.9 | 94% | 0.944 | 74% | 0.735 | S | S | * | * | trans | 78.4 | 117 | 165 | -63.1 | -173.3 | -13.2 | 0 | 0 | 117 | ||||
| 437 | G | 27.3 | Very low | 33.3 | Very low | 75 Ų | 75 | 113.6 Ų | 113.6 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -79.3 | 148.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 438 | V | 31 | Very low | 33.3 | Very low | 145 Ų | 145 | 114.8 Ų | 114.8 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | trans | -139.8 | 104.9 | 150.3 | -177.4 | 0 | 0 | 0 | 0 | 106.6 | A440 | V438-A440 PolarHBondContact O-N 3Š| ||
| 439 | Q | 29.3 | Very low | 33.6 | Very low | 190 Ų | 190 | 114.7 Ų | 114.7 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | -80 | 114.8 | 175.8 | -167.1 | 166.3 | -16.7 | 0 | 0 | 107.8 | ||||
| 440 | A | 34.6 | Very low | 34.2 | Very low | 87 Ų | 87 | 110.1 Ų | 110.1 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 130.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V438 | V438-A440 PolarHBondContact O-N 3Š|
| 441 | P | 33.4 | Very low | 34.6 | Very low | 97 Ų | 97 | 109.5 Ų | 109.5 | 63% | 0.63 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -78 | 150.1 | -174.7 | 32.4 | -33.3 | 0 | 0 | 0 | 110.8 | A445 | P441-A445 HydrophobicContact CB-CB 3.76Å; P441-A445 HydrophobicContact CG-CB 4.41Å |
| 442 | P | 34.8 | Very low | 35.2 | Very low | 88 Ų | 88 | 116 Ų | 116 | 57% | 0.571 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 154.4 | 174.6 | 27.3 | -32.2 | 0 | 0 | 0 | 110.6 | E444 A445 | P442-E444 PolarHBondContact O-N 2.89Å; P442-A445 WeakPolarHBondContact O-CB 3.43Å; P442-A445 PolarHBondContact O-N 3.4Å |
| 443 | A | 37.7 | Very low | 35.3 | Very low | 75 Ų | 75 | 113.1 Ų | 113.1 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | -25.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | A445 Y446 | A443-A445 VanDerWaalsContact C-N 3.29Å; A443-A445 PolarHBondContact O-N 3.08Å; A443-Y446 PolarHBondContact O-N 3.21Å |
| 444 | E | 36.8 | Very low | 35.4 | Very low | 145 Ų | 145 | 112.6 Ų | 112.6 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -58.8 | -33.1 | 173.4 | -66.4 | 174.6 | 161.5 | 0 | 0 | 113.5 | P442 Y446 Q448 | P442-E444 PolarHBondContact O-N 2.89Å; E444-Y446 VanDerWaalsContact C-N 3.3Å; E444-Y446 PolarHBondContact O-N 3.29Å; E444-Q448 PolarHBondContact O-N 2.74Å |
| 445 | A | 38.8 | Very low | 35.4 | Very low | 43 Ų | 43 | 111.7 Ų | 111.7 | 36% | 0.355 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71.6 | -25.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P441 P442 A443 H449 | P441-A445 HydrophobicContact CB-CB 3.76Å; P441-A445 HydrophobicContact CG-CB 4.41Å; P442-A445 WeakPolarHBondContact O-CB 3.43Å; P442-A445 PolarHBondContact O-N 3.4Å; A443-A445 VanDerWaalsContact C-N 3.29Å; A443-A445 PolarHBondContact O-N 3.08Å; A445-H449 PolarHBondContact O-N 3.37Å |
| 446 | Y | 38.5 | Very low | 35.7 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 44% | 0.439 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -74.8 | -34.7 | -179.5 | -150.3 | -92.2 | 0 | 0 | 0 | 111.5 | L211 A443 E444 L450 | L211-Y446 HydrophobicContact CB-CE1 4.15Å; L211-Y446 HydrophobicContact CD2-CD1 3.9Å; L211-Y446 HydrophobicContact CD2-CE1 3.77Å; L211-Y446 WeakPolarHBondContact O-CE1 3.47Å; L211-Y446 VanDerWaalsContact O-CZ 3.31Å; L211-Y446 PolarHBondContact O-OH 3.22Å; A443-Y446 PolarHBondContact O-N 3.21Å; E444-Y446 VanDerWaalsContact C-N 3.3Å; E444-Y446 PolarHBondContact O-N 3.29Å; Y446-L450 HydrophobicContact CD1-CD1 3.84Å; Y446-L450 HydrophobicContact CE1-CD1 3.69Å |
| 447 | V | 38.8 | Very low | 35.6 | Very low | 33 Ų | 33 | 111.5 Ų | 111.5 | 20% | 0.2 | 64% | 0.639 | C | S | . | * | H | α-helix | trans | -73.7 | -39.6 | 179.4 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | L450 L451 | V447-L450 PolarHBondContact O-N 3.43Å; V447-L451 HydrophobicContact CG1-CD1 3.86Å; V447-L451 WeakPolarHBondContact O-CG 3.42Å; V447-L451 PolarHBondContact O-N 3.5Å; V447-L451 VanDerWaalsContact O-N 3.15Å |
| 448 | Q | 36.7 | Very low | 35.8 | Very low | 143 Ų | 143 | 119.4 Ų | 119.4 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.5 | -35.9 | 177.7 | -75.9 | -168.2 | -18.7 | 0 | 0 | 113.7 | E444 L450 Y452 | E444-Q448 PolarHBondContact O-N 2.74Å; Q448-L450 VanDerWaalsContact C-N 3.29Å; Q448-L450 PolarHBondContact O-N 3.29Å; Q448-Y452 PolarHBondContact O-N 3.25Å |
| 449 | H | 42.2 | Very low | 35.8 | Very low | 128 Ų | 128 | 118.3 Ų | 118.3 | 59% | 0.593 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.6 | -26.9 | 178.5 | -166.7 | -70.4 | 0 | 0 | 0 | 112.6 | A445 G453 | A445-H449 PolarHBondContact O-N 3.37Å; H449-G453 WeakPolarHBondContact O-CA 3.45Å; H449-G453 PolarHBondContact O-N 3.2Å |
| 450 | L | 43.2 | Very low | 35.8 | Very low | 111 Ų | 111 | 114.5 Ų | 114.5 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -85.9 | -30.7 | 178 | -79.9 | 164.9 | 0 | 0 | 0 | 113.3 | L211 Y446 V447 Q448 | L211-L450 HydrophobicContact CD2-CD1 3.56Å; Y446-L450 HydrophobicContact CD1-CD1 3.84Å; Y446-L450 HydrophobicContact CE1-CD1 3.69Å; V447-L450 PolarHBondContact O-N 3.43Å; Q448-L450 VanDerWaalsContact C-N 3.29Å; Q448-L450 PolarHBondContact O-N 3.29Å |
| 451 | L | 37.7 | Very low | 35.9 | Very low | 112 Ų | 112 | 124 Ų | 124 | 59% | 0.586 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -81.2 | -21.7 | 177.5 | -70.3 | 173 | 0 | 0 | 0 | 113.6 | V447 | V447-L451 HydrophobicContact CG1-CD1 3.86Å; V447-L451 WeakPolarHBondContact O-CG 3.42Å; V447-L451 PolarHBondContact O-N 3.5Å; V447-L451 VanDerWaalsContact O-N 3.15Å |
| 452 | Y | 43.9 | Very low | 36.1 | Very low | 207 Ų | 207 | 125.4 Ų | 125.4 | 81% | 0.812 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -132.5 | 4.9 | -172.1 | -68.9 | -81.6 | 0 | 0 | 0 | 116 | Q448 | Q448-Y452 PolarHBondContact O-N 3.25Å |
| 453 | G | 32.3 | Very low | 36.1 | Very low | 35 Ų | 35 | 127.4 Ų | 127.4 | 36% | 0.361 | 67% | 0.668 | S | S | . | * | trans | -125.2 | 85.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | H449 | H449-G453 WeakPolarHBondContact O-CA 3.45Å; H449-G453 PolarHBondContact O-N 3.2Å | ||
| 454 | N | 34.7 | Very low | 36.1 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | trans | 157.3 | 77.6 | 131.6 | -94.1 | -17.1 | 0 | 0 | 0 | 112.2 | Q456 | N454-Q456 PolarHBondContact O-N 3.43Š| ||
| 455 | A | 30.8 | Very low | 36 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 67% | 0.67 | S | S | * | * | trans | -84.3 | 89.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 456 | Q | 35.3 | Very low | 35.8 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | trans | -134.9 | 126.7 | 162.2 | -79.1 | -62.6 | -48.8 | 0 | 0 | 108.9 | N454 | N454-Q456 PolarHBondContact O-N 3.43Š| ||
| 457 | P | 31 | Very low | 35.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 133.2 | -175.7 | 31 | -31.3 | 0 | 0 | 0 | 110.3 | ||
| 458 | R | 31 | Very low | 35.4 | Very low | 242 Ų | 242 | 143.7 Ų | 143.7 | 91% | 0.913 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 136.3 | 167.8 | -90.3 | -172.7 | -170.4 | -161.1 | 2.9 | 109.9 | ||
| 459 | P | 30.2 | Very low | 35.3 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 143.2 | 168 | 32.6 | -31.2 | 0 | 0 | 0 | 110 | ||
| 460 | S | 29.6 | Very low | 34.8 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 131.5 | 179.9 | 35.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 461 | F | 37.7 | Very low | 34 | Very low | 287 Ų | 287 | 148.2 Ų | 148.2 | 100% | 1.259 | 78% | 0.777 | S | S | * | * | trans | -147.6 | 0 | 148.7 | -97.4 | -75.8 | 0 | 0 | 0 | 109.3 |
Retrieved 461 of 461 residues in 177.7 ms
(Link to these results)