| 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 | 37.2 | Very low | 72.3 | Confident | 235 Ų | 235 | 96.4 Ų | 96.4 | 100% | 1.158 | 54% | 0.542 | S | S | * | . | 0 | 120.3 | 0 | -75.5 | 174.8 | -174.5 | 0 | 0 | 107.4 | V3 | M1-V3 PolarHBondContact O-N 3.03Š| |||
| 2 | A | 37.3 | Very low | 73.7 | Confident | 103 Ų | 103 | 94.8 Ų | 94.8 | 85% | 0.851 | 53% | 0.529 | S | S | * | . | trans | -74 | 97.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V4 | A2-V4 PolarHBondContact O-N 2.67Å; A2-V4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | V | 52.8 | Low | 75 | Confident | 133 Ų | 133 | 87.5 Ų | 87.5 | 81% | 0.806 | 49% | 0.488 | S | S | * | . | trans | -63.5 | 108.7 | 164.6 | -177.5 | 0 | 0 | 0 | 0 | 105.5 | M1 N5 | M1-V3 PolarHBondContact O-N 3.03Å; V3-N5 PolarHBondContact O-N 3.41Å | ||
| 4 | V | 64.3 | Low | 76.1 | Confident | 59 Ų | 59 | 91 Ų | 91 | 36% | 0.358 | 50% | 0.495 | S | S | . | . | trans | -61.6 | 111.6 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 106.6 | A2 E6 L9 I30 P38 | A2-V4 PolarHBondContact O-N 2.67Å; A2-V4 VanDerWaalsContact O-N 3.11Å; V4-E6 PolarHBondContact O-N 3.32Å; V4-L9 HydrophobicContact CG1-CD1 3.76Å; V4-L9 HydrophobicContact CG1-CD2 3.87Å; V4-L9 HydrophobicContact CG1-CG 3.61Å; V4-I30 HydrophobicContact CB-CD1 3.96Å; V4-I30 HydrophobicContact CG1-CD1 4.44Å; V4-I30 HydrophobicContact CG2-CD1 4.34Å; V4-P38 HydrophobicContact CG1-CG 3.94Å; V4-P38 HydrophobicContact CG2-CG 4.13Å | ||
| 5 | N | 79.8 | Confident | 77 | Confident | 97 Ų | 97 | 94.9 Ų | 94.9 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | trans | -72.8 | 126.8 | -175.8 | -171.9 | -20.2 | 0 | 0 | 0 | 108.9 | V3 S7 A8 L9 | V3-N5 PolarHBondContact O-N 3.41Å; N5-S7 PolarHBondContact ND2-OG 3.06Å; N5-S7 PolarHBondContact O-N 2.84Å; N5-S7 VanDerWaalsContact O-N 3.13Å; N5-S7 PolarHBondContact OD1-N 3.36Å; N5-S7 PolarHBondContact OD1-OG 3.38Å; N5-A8 HydrophobicContact CB-CB 4.34Å; N5-A8 WeakPolarHBondContact O-CA 3.43Å; N5-A8 VanDerWaalsContact O-CB 3.31Å; N5-A8 WeakPolarHBondContact O-CB 3.41Å; N5-A8 PolarHBondContact O-N 2.97Å; N5-L9 PolarHBondContact O-N 3.2Å | ||
| 6 | E | 84.1 | Confident | 78.1 | Confident | 95 Ų | 95 | 89.6 Ų | 89.6 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -52.6 | -36.8 | 180 | -165.7 | -169.2 | 145.4 | 0 | 0 | 111.9 | V4 A8 L9 K10 V23 | V4-E6 PolarHBondContact O-N 3.32Å; E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 2.99Å; E6-L9 PolarHBondContact O-N 3.4Å; E6-K10 PolarHBondContact O-N 3.17Å; E6-K10 WeakPolarHBondContact OE1-CE 3.45Å; E6-K10 IonicContact OE1-NZ 3.11Å; E6-K10 PolarHBondContact OE1-NZ 3.2Å; E6-V23 HydrophobicContact CG-CG1 3.35Å |
| 7 | S | 83.9 | Confident | 79.1 | Confident | 71 Ų | 71 | 92.9 Ų | 92.9 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -34.7 | 175.8 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | N5 K11 | N5-S7 PolarHBondContact ND2-OG 3.06Å; N5-S7 PolarHBondContact O-N 2.84Å; N5-S7 VanDerWaalsContact O-N 3.13Å; N5-S7 PolarHBondContact OD1-N 3.36Å; N5-S7 PolarHBondContact OD1-OG 3.38Å; S7-K11 PolarHBondContact O-N 3.2Å; S7-K11 VanDerWaalsContact O-N 3.14Å |
| 8 | A | 87.7 | Confident | 80 | Confident | 43 Ų | 43 | 92.8 Ų | 92.8 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.9 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | N5 E6 K10 K11 M12 | N5-A8 HydrophobicContact CB-CB 4.34Å; N5-A8 WeakPolarHBondContact O-CA 3.43Å; N5-A8 VanDerWaalsContact O-CB 3.31Å; N5-A8 WeakPolarHBondContact O-CB 3.41Å; N5-A8 PolarHBondContact O-N 2.97Å; E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 2.99Å; A8-K10 PolarHBondContact O-N 3.06Å; A8-K11 WeakPolarHBondContact O-CB 3.42Å; A8-K11 PolarHBondContact O-N 3.02Å; A8-K11 VanDerWaalsContact O-N 3.15Å; A8-M12 WeakPolarHBondContact O-CG 3.33Å; A8-M12 PolarHBondContact O-N 3.47Å |
| 9 | L | 89.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 94.2 Ų | 94.2 | 0% | 0 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.1 | -71.6 | 172.5 | 0 | 0 | 0 | 111.9 | V4 N5 E6 K11 M12 L13 V23 I26 P38 M54 | V4-L9 HydrophobicContact CG1-CD1 3.76Å; V4-L9 HydrophobicContact CG1-CD2 3.87Å; V4-L9 HydrophobicContact CG1-CG 3.61Å; N5-L9 PolarHBondContact O-N 3.2Å; E6-L9 PolarHBondContact O-N 3.4Å; L9-K11 PolarHBondContact O-N 3.47Å; L9-M12 PolarHBondContact O-N 3.5Å; L9-M12 VanDerWaalsContact O-N 3.1Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.13Å; L9-V23 HydrophobicContact CB-CG1 4.32Å; L9-V23 HydrophobicContact CB-CG2 4.12Å; L9-I26 HydrophobicContact CD1-CG2 3.84Å; L9-I26 HydrophobicContact CD2-CG2 4.3Å; L9-P38 HydrophobicContact CD2-CB 3.77Å; L9-P38 HydrophobicContact CD2-CG 3.77Å; L9-M54 HydrophobicContact CD2-CE 4.37Å |
| 10 | K | 89 | Confident | 81.3 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 33% | 0.33 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.7 | -36.9 | 174.6 | -75 | -178.6 | -175.9 | -176.7 | 0 | 112.4 | E6 A8 D20 V23 | E6-K10 PolarHBondContact O-N 3.17Å; E6-K10 WeakPolarHBondContact OE1-CE 3.45Å; E6-K10 IonicContact OE1-NZ 3.11Å; E6-K10 PolarHBondContact OE1-NZ 3.2Å; A8-K10 PolarHBondContact O-N 3.06Å; K10-D20 VanDerWaalsContact CE-OD1 3.25Å; K10-D20 WeakPolarHBondContact CE-OD1 3.39Å; K10-D20 IonicContact NZ-OD1 2.86Å; K10-D20 PolarHBondContact NZ-OD1 2.97Å; K10-D20 VanDerWaalsContact NZ-OD1 3.16Å; K10-V23 HydrophobicContact CG-CG1 4.33Å; K10-V23 HydrophobicContact CG-CG2 3.78Å |
| 11 | K | 89.8 | Confident | 82 | Confident | 148 Ų | 148 | 91.9 Ų | 91.9 | 64% | 0.643 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -69.6 | -33.6 | 176.4 | -171 | -178.5 | 177 | -177.1 | 0 | 112.5 | S7 A8 L9 K14 | S7-K11 PolarHBondContact O-N 3.2Å; S7-K11 VanDerWaalsContact O-N 3.14Å; A8-K11 WeakPolarHBondContact O-CB 3.42Å; A8-K11 PolarHBondContact O-N 3.02Å; A8-K11 VanDerWaalsContact O-N 3.15Å; L9-K11 PolarHBondContact O-N 3.47Å; K11-K14 WeakPolarHBondContact O-CD 3.18Å; K11-K14 VanDerWaalsContact O-CG 3.28Å; K11-K14 WeakPolarHBondContact O-CG 3.22Å |
| 12 | M | 89.1 | Confident | 84.7 | Confident | 78 Ų | 78 | 80.7 Ų | 80.7 | 38% | 0.384 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74.5 | -38 | 177.9 | -67.9 | 169.3 | 81.1 | 0 | 0 | 111.6 | A8 L9 K14 M40 M54 | A8-M12 WeakPolarHBondContact O-CG 3.33Å; A8-M12 PolarHBondContact O-N 3.47Å; L9-M12 PolarHBondContact O-N 3.5Å; L9-M12 VanDerWaalsContact O-N 3.1Å; M12-K14 PolarHBondContact O-N 3.25Å; M12-K14 VanDerWaalsContact O-N 3.16Å; M12-M40 HydrophobicContact CB-CG 3.85Å; M12-M40 HydrophobicContact CB-SD 4.42Å; M12-M40 HydrophobicContact CE-CB 3.92Å; M12-M40 HydrophobicContact CE-CG 3.45Å; M12-M40 VanDerWaalsContact CE-CG 3.45Å; M12-M40 HydrophobicContact CG-CG 4.25Å; M12-M54 HydrophobicContact CB-CE 3.55Å; M12-M54 HydrophobicContact CE-CE 3.98Å; M12-M54 HydrophobicContact CE-SD 4.42Å; M12-M54 HydrophobicContact CG-CE 4.44Å; M12-M54 HydrophobicContact SD-CE 4.25Å |
| 13 | L | 91.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 27.7 | -176.1 | -63.6 | 168.3 | 0 | 0 | 0 | 113.8 | L9 Q15 Y16 R19 T22 V23 I26 M54 | L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.13Å; L13-Q15 PolarHBondContact O-N 2.98Å; L13-Q15 VanDerWaalsContact O-N 3.16Å; L13-Y16 HydrophobicContact CB-CD2 4.08Å; L13-Y16 HydrophobicContact CB-CG 4.21Å; L13-Y16 HydrophobicContact CD2-CD1 3.94Å; L13-Y16 HydrophobicContact CD2-CD2 3.55Å; L13-Y16 HydrophobicContact CD2-CE1 3.86Å; L13-Y16 HydrophobicContact CD2-CE2 3.47Å; L13-Y16 VanDerWaalsContact CD2-CE2 3.47Å; L13-Y16 HydrophobicContact CD2-CG 3.81Å; L13-Y16 HydrophobicContact CG-CD2 4.44Å; L13-Y16 WeakPolarHBondContact O-CB 3.4Å; L13-Y16 PolarHBondContact O-N 3.15Å; L13-Y16 VanDerWaalsContact O-N 3.09Å; L13-R19 WeakPolarHBondContact O-CD 3.22Å; L13-R19 VanDerWaalsContact O-CG 3.29Å; L13-R19 WeakPolarHBondContact O-CG 3.35Å; L13-T22 HydrophobicContact CD1-CG2 3.84Å; L13-T22 HydrophobicContact CD2-CG2 4.26Å; L13-V23 HydrophobicContact CD1-CG2 3.52Å; L13-I26 HydrophobicContact CD1-CD1 4.04Å; L13-M54 HydrophobicContact CD2-CB 3.65Å; L13-M54 HydrophobicContact CD2-CE 3.73Å; L13-M54 HydrophobicContact CD2-CG 4.09Å; L13-M54 HydrophobicContact CG-CE 3.91Å |
| 14 | K | 90.1 | Very high | 89.4 | Confident | 136 Ų | 136 | 77.5 Ų | 77.5 | 59% | 0.591 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -34.9 | -174.7 | -83 | 173.5 | -178.5 | -169.8 | 0 | 114.1 | K11 M12 | K11-K14 WeakPolarHBondContact O-CD 3.18Å; K11-K14 VanDerWaalsContact O-CG 3.28Å; K11-K14 WeakPolarHBondContact O-CG 3.22Å; M12-K14 PolarHBondContact O-N 3.25Å; M12-K14 VanDerWaalsContact O-N 3.16Å |
| 15 | Q | 89.4 | Confident | 90.9 | Very high | 149 Ų | 149 | 75.9 Ų | 75.9 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.5 | -176.8 | -62.2 | 179.8 | 1.7 | 0 | 0 | 113.3 | L13 | L13-Q15 PolarHBondContact O-N 2.98Å; L13-Q15 VanDerWaalsContact O-N 3.16Å |
| 16 | Y | 94.5 | Very high | 91.6 | Very high | 10 Ų | 10 | 71.2 Ų | 71.2 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | trans | -78 | 141 | -179.4 | -77.9 | -120 | 0 | 0 | 0 | 110.5 | L13 R19 T22 M54 L77 L78 D79 | L13-Y16 HydrophobicContact CB-CD2 4.08Å; L13-Y16 HydrophobicContact CB-CG 4.21Å; L13-Y16 HydrophobicContact CD2-CD1 3.94Å; L13-Y16 HydrophobicContact CD2-CD2 3.55Å; L13-Y16 HydrophobicContact CD2-CE1 3.86Å; L13-Y16 HydrophobicContact CD2-CE2 3.47Å; L13-Y16 VanDerWaalsContact CD2-CE2 3.47Å; L13-Y16 HydrophobicContact CD2-CG 3.81Å; L13-Y16 HydrophobicContact CG-CD2 4.44Å; L13-Y16 WeakPolarHBondContact O-CB 3.4Å; L13-Y16 PolarHBondContact O-N 3.15Å; L13-Y16 VanDerWaalsContact O-N 3.09Å; Y16-R19 WeakPolarHBondContact O-CG 3.48Å; Y16-T22 HydrophobicContact CD1-CG2 4.17Å; Y16-T22 HydrophobicContact CE1-CG2 4.33Å; Y16-M54 WeakPolarHBondContact OH-CB 3.48Å; Y16-M54 PolarHBondContact OH-N 2.78Å; Y16-L77 HydrophobicContact CE1-CB 4.14Å; Y16-L77 PolarHBondContact OH-O 3.16Å; Y16-L78 WeakPolarHBondContact CD1-O 3.46Å; Y16-L78 WeakPolarHBondContact CE1-O 3.34Å; Y16-D79 WeakPolarHBondContact CA-O 3.35Å | ||
| 17 | K | 94.4 | Very high | 92 | Very high | 146 Ų | 146 | 69.1 Ų | 69.1 | 64% | 0.635 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -41.5 | 179.1 | -63.1 | -168.5 | -172.6 | 176.7 | 0 | 112 | D79 T80 | K17-D79 PolarHBondContact N-O 2.94Å; K17-T80 HydrophobicContact CD-CG2 4.02Å |
| 18 | Y | 95.1 | Very high | 92.5 | Very high | 92 Ų | 92 | 68.9 Ų | 68.9 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 53.9 | -172.3 | -48 | -74.5 | 0 | 0 | 0 | 112.9 | D20 L21 T22 T80 Y81 Y83 | Y18-D20 PolarHBondContact O-N 3.43Å; Y18-L21 PolarHBondContact O-N 2.96Å; Y18-L21 VanDerWaalsContact O-N 3.16Å; Y18-T22 PolarHBondContact O-N 3.2Å; Y18-T22 VanDerWaalsContact O-N 3.12Å; Y18-T22 PolarHBondContact O-OG1 2.91Å; Y18-T22 VanDerWaalsContact O-OG1 3.12Å; Y18-T80 WeakPolarHBondContact CD2-O 3.43Å; Y18-Y81 WeakPolarHBondContact CB-O 3.41Å; Y18-Y83 HydrophobicContact CD1-CD2 4.34Å; Y18-Y83 AromaticContact CD1-CE2 3.81Å; Y18-Y83 HydrophobicContact CD1-CE2 3.81Å; Y18-Y83 AromaticContact CD2-CD2 3.5Å; Y18-Y83 HydrophobicContact CD2-CD2 3.5Å; Y18-Y83 AromaticContact CD2-CE2 3.83Å; Y18-Y83 HydrophobicContact CD2-CE2 3.83Å; Y18-Y83 HydrophobicContact CE1-CD2 4.12Å; Y18-Y83 AromaticContact CE1-CE2 3.65Å; Y18-Y83 HydrophobicContact CE1-CE2 3.65Å; Y18-Y83 AromaticContact CE2-CD2 3.22Å; Y18-Y83 HydrophobicContact CE2-CD2 3.22Å; Y18-Y83 AromaticContact CE2-CE2 3.66Å; Y18-Y83 HydrophobicContact CE2-CE2 3.66Å; Y18-Y83 HydrophobicContact CE2-CG 4.19Å; Y18-Y83 HydrophobicContact CG-CD2 4.05Å; Y18-Y83 AromaticContact CG-CE2 3.89Å; Y18-Y83 HydrophobicContact CG-CE2 3.89Å; Y18-Y83 AromaticContact CZ-CD2 3.55Å; Y18-Y83 AromaticContact CZ-CE2 3.55Å |
| 19 | R | 94 | Very high | 92.9 | Very high | 118 Ų | 118 | 66.9 Ų | 66.9 | 45% | 0.445 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -51.9 | -49.3 | -169.1 | -53.9 | -177.3 | -63.8 | -156.9 | -1.6 | 114.7 | L13 Y16 L21 T22 V23 | L13-R19 WeakPolarHBondContact O-CD 3.22Å; L13-R19 VanDerWaalsContact O-CG 3.29Å; L13-R19 WeakPolarHBondContact O-CG 3.35Å; Y16-R19 WeakPolarHBondContact O-CG 3.48Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 3.43Å; R19-T22 PolarHBondContact O-N 3.22Å; R19-V23 WeakPolarHBondContact O-CB 3.35Å; R19-V23 WeakPolarHBondContact O-CG2 3.32Å; R19-V23 PolarHBondContact O-N 3.07Å |
| 20 | D | 92.8 | Very high | 93.1 | Very high | 92 Ų | 92 | 68 Ų | 68 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.4 | -32.8 | -174.9 | -68 | -55.9 | 0 | 0 | 0 | 112.2 | K10 Y18 R24 | K10-D20 VanDerWaalsContact CE-OD1 3.25Å; K10-D20 WeakPolarHBondContact CE-OD1 3.39Å; K10-D20 IonicContact NZ-OD1 2.86Å; K10-D20 PolarHBondContact NZ-OD1 2.97Å; K10-D20 VanDerWaalsContact NZ-OD1 3.16Å; Y18-D20 PolarHBondContact O-N 3.43Å; D20-R24 WeakPolarHBondContact O-CB 3.38Å; D20-R24 PolarHBondContact O-N 3.45Å; D20-R24 VanDerWaalsContact O-N 3.11Å |
| 21 | L | 95 | Very high | 93.3 | Very high | 48 Ų | 48 | 67.1 Ų | 67.1 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.7 | -49.6 | 173.9 | -63.3 | -179.9 | 0 | 0 | 0 | 110.6 | Y18 R19 V23 R24 E25 P82 | Y18-L21 PolarHBondContact O-N 2.96Å; Y18-L21 VanDerWaalsContact O-N 3.16Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 3.43Å; L21-V23 VanDerWaalsContact C-N 3.32Å; L21-V23 PolarHBondContact O-N 2.9Å; L21-R24 PolarHBondContact O-N 3.27Å; L21-E25 PolarHBondContact O-N 3.5Å; L21-P82 HydrophobicContact CB-CG 4.11Å; L21-P82 HydrophobicContact CD1-CG 3.95Å |
| 22 | T | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.9 | -45.1 | 177.5 | -46.5 | 0 | 0 | 0 | 0 | 111.7 | L13 Y16 Y18 R19 E25 I26 L77 Y81 | L13-T22 HydrophobicContact CD1-CG2 3.84Å; L13-T22 HydrophobicContact CD2-CG2 4.26Å; Y16-T22 HydrophobicContact CD1-CG2 4.17Å; Y16-T22 HydrophobicContact CE1-CG2 4.33Å; Y18-T22 PolarHBondContact O-N 3.2Å; Y18-T22 VanDerWaalsContact O-N 3.12Å; Y18-T22 PolarHBondContact O-OG1 2.91Å; Y18-T22 VanDerWaalsContact O-OG1 3.12Å; R19-T22 PolarHBondContact O-N 3.22Å; T22-E25 PolarHBondContact O-N 2.94Å; T22-I26 HydrophobicContact CG2-CD1 3.84Å; T22-I26 HydrophobicContact CG2-CG1 4.48Å; T22-I26 WeakPolarHBondContact O-CB 3.41Å; T22-I26 VanDerWaalsContact O-CG1 3.27Å; T22-I26 WeakPolarHBondContact O-CG1 3.5Å; T22-I26 PolarHBondContact O-N 3.33Å; T22-L77 HydrophobicContact CG2-CD1 3.89Å; T22-Y81 HydrophobicContact CG2-CD1 3.86Å; T22-Y81 PolarHBondContact OG1-O 3.43Å |
| 23 | V | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 179.5 | 171 | 0 | 0 | 0 | 0 | 111.7 | E6 L9 K10 L13 R19 L21 E25 I26 T27 | E6-V23 HydrophobicContact CG-CG1 3.35Å; L9-V23 HydrophobicContact CB-CG1 4.32Å; L9-V23 HydrophobicContact CB-CG2 4.12Å; K10-V23 HydrophobicContact CG-CG1 4.33Å; K10-V23 HydrophobicContact CG-CG2 3.78Å; L13-V23 HydrophobicContact CD1-CG2 3.52Å; R19-V23 WeakPolarHBondContact O-CB 3.35Å; R19-V23 WeakPolarHBondContact O-CG2 3.32Å; R19-V23 PolarHBondContact O-N 3.07Å; L21-V23 VanDerWaalsContact C-N 3.32Å; L21-V23 PolarHBondContact O-N 2.9Å; V23-E25 VanDerWaalsContact C-N 3.34Å; V23-E25 PolarHBondContact O-N 3.23Å; V23-I26 PolarHBondContact O-N 3.41Å; V23-T27 VanDerWaalsContact O-CB 3.31Å; V23-T27 WeakPolarHBondContact O-CB 3.35Å; V23-T27 PolarHBondContact O-N 3.36Å; V23-T27 PolarHBondContact O-OG1 3Å |
| 24 | R | 93.9 | Very high | 93.8 | Very high | 170 Ų | 170 | 68.7 Ų | 68.7 | 64% | 0.642 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60 | -46.5 | 178.2 | -177.4 | -176.4 | -63.1 | 156.6 | 1.3 | 111.1 | D20 L21 T27 N28 | D20-R24 WeakPolarHBondContact O-CB 3.38Å; D20-R24 PolarHBondContact O-N 3.45Å; D20-R24 VanDerWaalsContact O-N 3.11Å; L21-R24 PolarHBondContact O-N 3.27Å; R24-T27 PolarHBondContact O-N 3.08Å; R24-N28 PolarHBondContact O-N 3.23Å |
| 25 | E | 94.1 | Very high | 94 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.2 | -44 | -179.7 | -73.5 | -162.1 | -134.1 | 0 | 0 | 112.9 | L21 T22 V23 T27 N28 V29 Y81 D124 L125 | L21-E25 PolarHBondContact O-N 3.5Å; T22-E25 PolarHBondContact O-N 2.94Å; V23-E25 VanDerWaalsContact C-N 3.34Å; V23-E25 PolarHBondContact O-N 3.23Å; E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 2.88Å; E25-N28 PolarHBondContact O-N 3.45Å; E25-V29 WeakPolarHBondContact O-CG2 3.4Å; E25-V29 PolarHBondContact O-N 3.06Å; E25-Y81 HydrophobicContact CB-CE1 4.27Å; E25-Y81 VanDerWaalsContact CD-OH 3.23Å; E25-Y81 PolarHBondContact OE2-OH 3.22Å; E25-D124 WeakPolarHBondContact OE2-CB 3.21Å; E25-L125 HydrophobicContact CB-CD1 4.38Å; E25-L125 PolarHBondContact OE2-N 2.96Å |
| 26 | I | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56 | -47.5 | 172.7 | -71.8 | 166.8 | 0 | 0 | 0 | 110 | L9 L13 T22 V23 N28 V29 I30 P38 M54 L56 L77 | L9-I26 HydrophobicContact CD1-CG2 3.84Å; L9-I26 HydrophobicContact CD2-CG2 4.3Å; L13-I26 HydrophobicContact CD1-CD1 4.04Å; T22-I26 HydrophobicContact CG2-CD1 3.84Å; T22-I26 HydrophobicContact CG2-CG1 4.48Å; T22-I26 WeakPolarHBondContact O-CB 3.41Å; T22-I26 VanDerWaalsContact O-CG1 3.27Å; T22-I26 WeakPolarHBondContact O-CG1 3.5Å; T22-I26 PolarHBondContact O-N 3.33Å; V23-I26 PolarHBondContact O-N 3.41Å; I26-N28 VanDerWaalsContact C-N 3.32Å; I26-N28 PolarHBondContact O-N 2.81Å; I26-V29 PolarHBondContact O-N 3.17Å; I26-I30 HydrophobicContact CG2-CD1 4.29Å; I26-I30 HydrophobicContact CG2-CG2 4.2Å; I26-I30 WeakPolarHBondContact O-CG1 3.31Å; I26-I30 WeakPolarHBondContact O-CG2 3.27Å; I26-I30 PolarHBondContact O-N 3.04Å; I26-P38 HydrophobicContact CG2-CB 4.28Å; I26-M54 HydrophobicContact CD1-CG 4.02Å; I26-L56 HydrophobicContact CG1-CD1 4.46Å; I26-L56 HydrophobicContact CG1-CD2 4.41Å; I26-L56 HydrophobicContact CG2-CD2 4Å; I26-L77 HydrophobicContact CD1-CD1 3.72Å; I26-L77 HydrophobicContact CG1-CD1 3.76Å |
| 27 | T | 93.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | -178.7 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | V23 R24 E25 I30 S31 | V23-T27 VanDerWaalsContact O-CB 3.31Å; V23-T27 WeakPolarHBondContact O-CB 3.35Å; V23-T27 PolarHBondContact O-N 3.36Å; V23-T27 PolarHBondContact O-OG1 3Å; R24-T27 PolarHBondContact O-N 3.08Å; E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 2.88Å; T27-I30 WeakPolarHBondContact O-CG1 3.49Å; T27-S31 VanDerWaalsContact O-CB 3.28Å; T27-S31 WeakPolarHBondContact O-CB 3.5Å; T27-S31 PolarHBondContact O-N 2.7Å; T27-S31 VanDerWaalsContact O-N 3.07Å |
| 28 | N | 93.7 | Very high | 94.3 | Very high | 65 Ų | 65 | 59.4 Ų | 59.4 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.1 | -50.1 | 174.3 | -174.8 | 21.9 | 0 | 0 | 0 | 111.1 | R24 E25 I26 S31 Q32 | R24-N28 PolarHBondContact O-N 3.23Å; E25-N28 PolarHBondContact O-N 3.45Å; I26-N28 VanDerWaalsContact C-N 3.32Å; I26-N28 PolarHBondContact O-N 2.81Å; N28-S31 WeakPolarHBondContact O-CB 3.46Å; N28-S31 PolarHBondContact O-N 3.04Å; N28-S31 PolarHBondContact O-OG 3.27Å; N28-Q32 PolarHBondContact O-N 3.07Å; N28-Q32 PolarHBondContact OD1-NE2 2.82Å |
| 29 | V | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -50.6 | -178.5 | 170.5 | 0 | 0 | 0 | 0 | 112.2 | E25 I26 S31 Q32 Y33 L36 L56 L125 I129 | E25-V29 WeakPolarHBondContact O-CG2 3.4Å; E25-V29 PolarHBondContact O-N 3.06Å; I26-V29 PolarHBondContact O-N 3.17Å; V29-S31 PolarHBondContact O-N 3.49Å; V29-Q32 PolarHBondContact O-N 3.19Å; V29-Q32 VanDerWaalsContact O-N 3.07Å; V29-Y33 HydrophobicContact CG1-CD2 4.2Å; V29-Y33 PolarHBondContact O-N 3.27Å; V29-L36 HydrophobicContact CG1-CD1 3.84Å; V29-L56 HydrophobicContact CB-CD1 4.44Å; V29-L56 HydrophobicContact CG1-CD1 4.04Å; V29-L125 HydrophobicContact CG2-CB 3.6Å; V29-I129 HydrophobicContact CB-CD1 4.49Å; V29-I129 HydrophobicContact CG1-CD1 3.42Å; V29-I129 VanDerWaalsContact CG1-CD1 3.42Å; V29-I129 HydrophobicContact CG2-CD1 4.24Å |
| 30 | I | 93.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69 | -20.3 | -178.6 | 70 | -174.9 | 0 | 0 | 0 | 112.3 | V4 I26 T27 Q32 L56 | V4-I30 HydrophobicContact CB-CD1 3.96Å; V4-I30 HydrophobicContact CG1-CD1 4.44Å; V4-I30 HydrophobicContact CG2-CD1 4.34Å; I26-I30 HydrophobicContact CG2-CD1 4.29Å; I26-I30 HydrophobicContact CG2-CG2 4.2Å; I26-I30 WeakPolarHBondContact O-CG1 3.31Å; I26-I30 WeakPolarHBondContact O-CG2 3.27Å; I26-I30 PolarHBondContact O-N 3.04Å; T27-I30 WeakPolarHBondContact O-CG1 3.49Å; I30-Q32 VanDerWaalsContact C-N 3.31Å; I30-L56 HydrophobicContact CG2-CD2 4.09Å |
| 31 | S | 92.7 | Very high | 94.3 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 41% | 0.413 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69 | -32.9 | 173 | 81.4 | 0 | 0 | 0 | 0 | 111.6 | T27 N28 V29 K34 | T27-S31 VanDerWaalsContact O-CB 3.28Å; T27-S31 WeakPolarHBondContact O-CB 3.5Å; T27-S31 PolarHBondContact O-N 2.7Å; T27-S31 VanDerWaalsContact O-N 3.07Å; N28-S31 WeakPolarHBondContact O-CB 3.46Å; N28-S31 PolarHBondContact O-N 3.04Å; N28-S31 PolarHBondContact O-OG 3.27Å; V29-S31 PolarHBondContact O-N 3.49Å; S31-K34 VanDerWaalsContact O-CE 3.23Å; S31-K34 WeakPolarHBondContact O-CE 3.41Å; S31-K34 PolarHBondContact O-NZ 3.35Å |
| 32 | Q | 93.9 | Very high | 94.3 | Very high | 90 Ų | 90 | 54.4 Ų | 54.4 | 42% | 0.421 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -93.9 | -42.3 | -178.8 | -58.2 | -168.8 | 51 | 0 | 0 | 112 | N28 V29 I30 Y126 | N28-Q32 PolarHBondContact O-N 3.07Å; N28-Q32 PolarHBondContact OD1-NE2 2.82Å; V29-Q32 PolarHBondContact O-N 3.19Å; V29-Q32 VanDerWaalsContact O-N 3.07Å; I30-Q32 VanDerWaalsContact C-N 3.31Å; Q32-Y126 HydrophobicContact CB-CE2 4.5Å; Q32-Y126 HydrophobicContact CG-CE2 4.48Å; Q32-Y126 PolarHBondContact OE1-OH 2.97Å |
| 33 | Y | 94.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | trans | -107.5 | 89.1 | -179.3 | -61.3 | -76.1 | 0 | 0 | 0 | 110.8 | V29 D35 L36 P61 Y126 I129 Q130 I133 | V29-Y33 HydrophobicContact CG1-CD2 4.2Å; V29-Y33 PolarHBondContact O-N 3.27Å; Y33-D35 PolarHBondContact O-N 2.88Å; Y33-L36 HydrophobicContact CG-CD1 4.25Å; Y33-L36 PolarHBondContact O-N 3.13Å; Y33-P61 HydrophobicContact CE1-CG 4.47Å; Y33-Y126 AromaticContact CE2-CD2 3.94Å; Y33-Y126 HydrophobicContact CE2-CD2 3.94Å; Y33-Y126 AromaticContact CE2-CE2 3.89Å; Y33-Y126 HydrophobicContact CE2-CE2 3.89Å; Y33-I129 HydrophobicContact CD1-CG2 4.45Å; Y33-I129 HydrophobicContact CD2-CD1 4.05Å; Y33-I129 HydrophobicContact CD2-CG2 4.17Å; Y33-I129 HydrophobicContact CE1-CG2 3.9Å; Y33-I129 HydrophobicContact CE2-CB 4.1Å; Y33-I129 HydrophobicContact CE2-CD1 4.15Å; Y33-I129 HydrophobicContact CE2-CG2 3.56Å; Y33-I129 VanDerWaalsContact CZ-CG2 3.41Å; Y33-Q130 PolarHBondContact OH-NE2 2.98Å; Y33-I133 HydrophobicContact CE1-CD1 3.87Å; Y33-I133 VanDerWaalsContact OH-CD1 3.32Å; Y33-I133 WeakPolarHBondContact OH-CD1 3.28Å | ||
| 34 | K | 92.9 | Very high | 94.2 | Very high | 147 Ų | 147 | 60 Ų | 60 | 64% | 0.639 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.7 | -172.7 | -59.6 | -54.6 | -170 | -167.3 | 0 | 114.8 | S31 | S31-K34 VanDerWaalsContact O-CE 3.23Å; S31-K34 WeakPolarHBondContact O-CE 3.41Å; S31-K34 PolarHBondContact O-NZ 3.35Å |
| 35 | D | 94.5 | Very high | 94 | Very high | 88 Ų | 88 | 54 Ų | 54 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.6 | -180 | -68 | -21.4 | 0 | 0 | 0 | 112.9 | Y33 G58 T59 | Y33-D35 PolarHBondContact O-N 2.88Å; D35-G58 VanDerWaalsContact O-CA 3.3Å; D35-G58 WeakPolarHBondContact O-CA 3.38Å; D35-T59 VanDerWaalsContact CB-OG1 3.27Å; D35-T59 WeakPolarHBondContact CB-OG1 3.18Å; D35-T59 PolarHBondContact OD2-OG1 3.21Å |
| 36 | L | 95.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | trans | -79.2 | 123.9 | 173.7 | -67.5 | -179.9 | 0 | 0 | 0 | 110.1 | V29 Y33 V60 V73 I129 | V29-L36 HydrophobicContact CG1-CD1 3.84Å; Y33-L36 HydrophobicContact CG-CD1 4.25Å; Y33-L36 PolarHBondContact O-N 3.13Å; L36-V60 HydrophobicContact CD1-CG1 4.11Å; L36-V60 HydrophobicContact CD2-CG1 4.35Å; L36-V60 HydrophobicContact CG-CG1 4.46Å; L36-V73 HydrophobicContact CD2-CG2 3.79Å; L36-I129 HydrophobicContact CD1-CD1 3.72Å | ||
| 37 | K | 94.4 | Very high | 93.4 | Very high | 135 Ų | 135 | 66.4 Ų | 66.4 | 59% | 0.587 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136 | -178.8 | -64.2 | -177.6 | -176.3 | 175 | 0 | 111.2 | L56 T57 | K37-L56 WeakPolarHBondContact O-CA 3.47Å; K37-T57 PolarHBondContact N-O 3.43Å; K37-T57 PolarHBondContact O-N 3.44Å |
| 38 | P | 95.2 | Very high | 93.2 | Very high | 20 Ų | 20 | 66.9 Ų | 66.9 | 13% | 0.13 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.8 | 172.3 | 28.8 | -28.7 | 0 | 0 | 0 | 110.3 | V4 L9 I26 M54 S55 L56 | V4-P38 HydrophobicContact CG1-CG 3.94Å; V4-P38 HydrophobicContact CG2-CG 4.13Å; L9-P38 HydrophobicContact CD2-CB 3.77Å; L9-P38 HydrophobicContact CD2-CG 3.77Å; I26-P38 HydrophobicContact CG2-CB 4.28Å; P38-M54 HydrophobicContact CB-SD 3.74Å; P38-S55 CarbonylContact C-O 3.45Å; P38-S55 WeakPolarHBondContact CA-O 3.35Å; P38-L56 HydrophobicContact CB-CD2 3.95Å |
| 39 | V | 93.9 | Very high | 93.1 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129 | -179.5 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | D41 S55 | V39-D41 HydrophobicContact CG1-CB 4.47Å; V39-S55 PolarHBondContact N-O 3.02Å; V39-S55 PolarHBondContact O-N 2.86Å; V39-S55 PolarHBondContact O-OG 2.74Å |
| 40 | M | 93.8 | Very high | 93 | Very high | 60 Ų | 60 | 68.8 Ų | 68.8 | 30% | 0.296 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.9 | 167.4 | -77.9 | -63 | -58.9 | 0 | 0 | 108.9 | M12 D52 L53 M54 | M12-M40 HydrophobicContact CB-CG 3.85Å; M12-M40 HydrophobicContact CB-SD 4.42Å; M12-M40 HydrophobicContact CE-CB 3.92Å; M12-M40 HydrophobicContact CE-CG 3.45Å; M12-M40 VanDerWaalsContact CE-CG 3.45Å; M12-M40 HydrophobicContact CG-CG 4.25Å; M40-D52 HydrophobicContact CE-CB 3.84Å; M40-L53 WeakPolarHBondContact CA-O 3.44Å; M40-M54 HydrophobicContact CG-CE 3.68Å; M40-M54 HydrophobicContact CG-SD 4.26Å; M40-M54 HydrophobicContact SD-CB 3.88Å; M40-M54 HydrophobicContact SD-CE 3.5Å; M40-M54 VanDerWaalsContact SD-CE 3.5Å; M40-M54 PolarHBondContact SD-N 3.46Å; M40-M54 HydrophobicContact SD-SD 4.15Å |
| 41 | D | 93.4 | Very high | 92.9 | Very high | 82 Ų | 82 | 73.5 Ų | 73.5 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 161.9 | -179.2 | -168.4 | 13.8 | 0 | 0 | 0 | 110.3 | V39 Y43 L53 W76 | V39-D41 HydrophobicContact CG1-CB 4.47Å; D41-Y43 PolarHBondContact O-N 2.79Å; D41-L53 PolarHBondContact N-O 3.19Å; D41-L53 PolarHBondContact O-N 2.81Å; D41-L53 VanDerWaalsContact O-O 3.1Å; D41-W76 HydrophobicContact CB-CH2 3.63Å; D41-W76 HydrophobicContact CB-CZ3 4.17Å; D41-W76 WeakPolarHBondContact O-CZ3 3.1Å |
| 42 | A | 94.7 | Very high | 93 | Very high | 44 Ų | 44 | 75 Ų | 75 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 116.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 43 | Y | 94.5 | Very high | 93.2 | Very high | 24 Ų | 24 | 71 Ų | 71 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.3 | 175.5 | -174.4 | -93.9 | 0 | 0 | 0 | 110.8 | D41 F45 S50 R51 L53 W76 I87 F89 | D41-Y43 PolarHBondContact O-N 2.79Å; Y43-F45 HydrophobicContact CD1-CD1 4.13Å; Y43-F45 AromaticContact CD1-CD2 3.99Å; Y43-F45 HydrophobicContact CD1-CD2 3.99Å; Y43-F45 HydrophobicContact CD1-CE1 4.03Å; Y43-F45 AromaticContact CD1-CE2 3.86Å; Y43-F45 HydrophobicContact CD1-CE2 3.86Å; Y43-F45 HydrophobicContact CD1-CG 4.12Å; Y43-F45 AromaticContact CD1-CZ 3.9Å; Y43-F45 HydrophobicContact CD1-CZ 3.9Å; Y43-F45 AromaticContact CE1-CD1 3.89Å; Y43-F45 HydrophobicContact CE1-CD1 3.89Å; Y43-F45 HydrophobicContact CE1-CD2 4.47Å; Y43-F45 HydrophobicContact CE1-CE1 4.03Å; Y43-F45 HydrophobicContact CE1-CG 4.13Å; Y43-F45 HydrophobicContact CE1-CZ 4.37Å; Y43-S50 CarbonylContact O-C 3.53Å; Y43-S50 VanDerWaalsContact O-CA 3.3Å; Y43-S50 WeakPolarHBondContact O-CA 3.49Å; Y43-R51 PolarHBondContact N-O 2.78Å; Y43-R51 PolarHBondContact O-N 3.41Å; Y43-L53 HydrophobicContact CD1-CD1 4.21Å; Y43-L53 HydrophobicContact CG-CD1 4.12Å; Y43-W76 HydrophobicContact CD2-CB 4.48Å; Y43-W76 AromaticContact CD2-CD1 3.86Å; Y43-W76 AromaticContact CD2-CD2 3.59Å; Y43-W76 HydrophobicContact CD2-CD2 3.59Å; Y43-W76 AromaticContact CD2-CE2 3.57Å; Y43-W76 HydrophobicContact CD2-CE3 4.11Å; Y43-W76 AromaticContact CD2-CG 3.77Å; Y43-W76 HydrophobicContact CD2-CG 3.77Å; Y43-W76 HydrophobicContact CD2-CH2 4.43Å; Y43-W76 HydrophobicContact CD2-CZ2 4.02Å; Y43-W76 AromaticContact CD2-NE1 3.73Å; Y43-W76 AromaticContact CE2-CD1 3.84Å; Y43-W76 HydrophobicContact CE2-CD2 4.33Å; Y43-W76 HydrophobicContact CE2-CG 4.05Å; Y43-W76 AromaticContact CE2-NE1 3.95Å; Y43-W76 HydrophobicContact CG-CD2 4.33Å; Y43-W76 HydrophobicContact CG-CE3 4.43Å; Y43-I87 HydrophobicContact CE1-CD1 3.94Å; Y43-F89 HydrophobicContact CE2-CE2 4Å; Y43-F89 HydrophobicContact CE2-CZ 4.36Å |
| 44 | V | 93.7 | Very high | 93.2 | Very high | 92 Ų | 92 | 70 Ų | 70 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.6 | 176.8 | -175 | 0 | 0 | 0 | 0 | 109.7 | S49 | V44-S49 CarbonylContact C-O 3.59Å; V44-S49 WeakPolarHBondContact CA-O 3.49Å |
| 45 | F | 91.3 | Very high | 93.4 | Very high | 44 Ų | 44 | 63 Ų | 63 | 19% | 0.193 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 165.1 | 176.2 | -67.6 | -91.5 | 0 | 0 | 0 | 111.4 | Y43 D47 G48 S49 R51 L53 L78 | Y43-F45 HydrophobicContact CD1-CD1 4.13Å; Y43-F45 AromaticContact CD1-CD2 3.99Å; Y43-F45 HydrophobicContact CD1-CD2 3.99Å; Y43-F45 HydrophobicContact CD1-CE1 4.03Å; Y43-F45 AromaticContact CD1-CE2 3.86Å; Y43-F45 HydrophobicContact CD1-CE2 3.86Å; Y43-F45 HydrophobicContact CD1-CG 4.12Å; Y43-F45 AromaticContact CD1-CZ 3.9Å; Y43-F45 HydrophobicContact CD1-CZ 3.9Å; Y43-F45 AromaticContact CE1-CD1 3.89Å; Y43-F45 HydrophobicContact CE1-CD1 3.89Å; Y43-F45 HydrophobicContact CE1-CD2 4.47Å; Y43-F45 HydrophobicContact CE1-CE1 4.03Å; Y43-F45 HydrophobicContact CE1-CG 4.13Å; Y43-F45 HydrophobicContact CE1-CZ 4.37Å; F45-D47 WeakPolarHBondContact CB-OD1 3.44Å; F45-D47 PolarHBondContact O-N 3.22Å; F45-G48 PolarHBondContact O-N 2.96Å; F45-S49 PolarHBondContact N-O 3.25Å; F45-R51 HydrophobicContact CD2-CG 4.35Å; F45-R51 HydrophobicContact CE2-CB 3.89Å; F45-R51 HydrophobicContact CE2-CG 3.67Å; F45-L53 HydrophobicContact CZ-CD1 4.02Å; F45-L78 HydrophobicContact CE1-CD2 4.04Å; F45-L78 HydrophobicContact CZ-CD2 4.18Å |
| 46 | N | 88.1 | Confident | 93.5 | Very high | 164 Ų | 164 | 58.8 Ų | 58.8 | 88% | 0.877 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.3 | -178.6 | -65.7 | -6.3 | 0 | 0 | 0 | 113.5 | G48 | N46-G48 PolarHBondContact O-N 3.44Š|
| 47 | D | 87.8 | Confident | 93.5 | Very high | 122 Ų | 122 | 60.6 Ų | 60.6 | 65% | 0.652 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 0.9 | 174.5 | 65 | -3.6 | 0 | 0 | 0 | 112.9 | F45 S49 | F45-D47 WeakPolarHBondContact CB-OD1 3.44Å; F45-D47 PolarHBondContact O-N 3.22Å; D47-S49 VanDerWaalsContact CG-OG 3.3Å; D47-S49 PolarHBondContact O-N 3.08Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.4Å; D47-S49 PolarHBondContact OD1-N 3.15Å; D47-S49 PolarHBondContact OD1-OG 3.26Å; D47-S49 PolarHBondContact OD2-OG 2.99Å |
| 48 | G | 89.1 | Confident | 93.6 | Very high | 60 Ų | 60 | 55 Ų | 55 | 62% | 0.619 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 81.2 | -3.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F45 N46 | F45-G48 PolarHBondContact O-N 2.96Å; N46-G48 PolarHBondContact O-N 3.44Å |
| 49 | S | 92.3 | Very high | 93.6 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | trans | -70.6 | 148.1 | 173.4 | 74.1 | 0 | 0 | 0 | 0 | 110.5 | V44 F45 D47 | V44-S49 CarbonylContact C-O 3.59Å; V44-S49 WeakPolarHBondContact CA-O 3.49Å; F45-S49 PolarHBondContact N-O 3.25Å; D47-S49 VanDerWaalsContact CG-OG 3.3Å; D47-S49 PolarHBondContact O-N 3.08Å; D47-S49 VanDerWaalsContact OD1-CB 3.23Å; D47-S49 WeakPolarHBondContact OD1-CB 3.4Å; D47-S49 PolarHBondContact OD1-N 3.15Å; D47-S49 PolarHBondContact OD1-OG 3.26Å; D47-S49 PolarHBondContact OD2-OG 2.99Å | ||
| 50 | S | 91.9 | Very high | 93.8 | Very high | 68 Ų | 68 | 52.9 Ų | 52.9 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.9 | 176.1 | -173.6 | 0 | 0 | 0 | 0 | 110 | Y43 | Y43-S50 CarbonylContact O-C 3.53Å; Y43-S50 VanDerWaalsContact O-CA 3.3Å; Y43-S50 WeakPolarHBondContact O-CA 3.49Å |
| 51 | R | 93.3 | Very high | 93.9 | Very high | 122 Ų | 122 | 52.6 Ų | 52.6 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145 | 173.7 | -56 | -177.3 | -164.1 | -176.7 | 4.6 | 111 | Y43 F45 L53 D79 | Y43-R51 PolarHBondContact N-O 2.78Å; Y43-R51 PolarHBondContact O-N 3.41Å; F45-R51 HydrophobicContact CD2-CG 4.35Å; F45-R51 HydrophobicContact CE2-CB 3.89Å; F45-R51 HydrophobicContact CE2-CG 3.67Å; R51-L53 HydrophobicContact CB-CG 4.48Å; R51-L53 PolarHBondContact O-N 3.45Å; R51-D79 IonicContact NH1-OD2 3.86Å; R51-D79 PolarHBondContact NH1-OD2 3.46Å |
| 52 | D | 94.8 | Very high | 94.1 | Very high | 92 Ų | 92 | 48.8 Ų | 48.8 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 112.4 | 172.9 | -66.8 | -23.6 | 0 | 0 | 0 | 109.7 | M40 | M40-D52 HydrophobicContact CE-CB 3.84Å |
| 53 | L | 96.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155 | 179.8 | -65 | -178.1 | 0 | 0 | 0 | 110.7 | M40 D41 Y43 F45 R51 W76 L78 | M40-L53 WeakPolarHBondContact CA-O 3.44Å; D41-L53 PolarHBondContact N-O 3.19Å; D41-L53 PolarHBondContact O-N 2.81Å; D41-L53 VanDerWaalsContact O-O 3.1Å; Y43-L53 HydrophobicContact CD1-CD1 4.21Å; Y43-L53 HydrophobicContact CG-CD1 4.12Å; F45-L53 HydrophobicContact CZ-CD1 4.02Å; R51-L53 HydrophobicContact CB-CG 4.48Å; R51-L53 PolarHBondContact O-N 3.45Å; L53-W76 HydrophobicContact CB-CE3 3.72Å; L53-W76 HydrophobicContact CB-CZ3 3.91Å; L53-W76 WeakPolarHBondContact O-CZ3 3.18Å; L53-L78 HydrophobicContact CD1-CD2 4Å |
| 54 | M | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 130.4 | 169.3 | -172 | 66.5 | 66 | 0 | 0 | 109.5 | L9 M12 L13 Y16 I26 P38 M40 L77 | L9-M54 HydrophobicContact CD2-CE 4.37Å; M12-M54 HydrophobicContact CB-CE 3.55Å; M12-M54 HydrophobicContact CE-CE 3.98Å; M12-M54 HydrophobicContact CE-SD 4.42Å; M12-M54 HydrophobicContact CG-CE 4.44Å; M12-M54 HydrophobicContact SD-CE 4.25Å; L13-M54 HydrophobicContact CD2-CB 3.65Å; L13-M54 HydrophobicContact CD2-CE 3.73Å; L13-M54 HydrophobicContact CD2-CG 4.09Å; L13-M54 HydrophobicContact CG-CE 3.91Å; Y16-M54 WeakPolarHBondContact OH-CB 3.48Å; Y16-M54 PolarHBondContact OH-N 2.78Å; I26-M54 HydrophobicContact CD1-CG 4.02Å; P38-M54 HydrophobicContact CB-SD 3.74Å; M40-M54 HydrophobicContact CG-CE 3.68Å; M40-M54 HydrophobicContact CG-SD 4.26Å; M40-M54 HydrophobicContact SD-CB 3.88Å; M40-M54 HydrophobicContact SD-CE 3.5Å; M40-M54 VanDerWaalsContact SD-CE 3.5Å; M40-M54 PolarHBondContact SD-N 3.46Å; M40-M54 HydrophobicContact SD-SD 4.15Å; M54-L77 HydrophobicContact CG-CD1 4.49Å; M54-L77 PolarHBondContact O-N 2.94Å |
| 55 | S | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144 | 168.6 | 68.4 | 0 | 0 | 0 | 0 | 111 | P38 V39 T57 L75 | P38-S55 CarbonylContact C-O 3.45Å; P38-S55 WeakPolarHBondContact CA-O 3.35Å; V39-S55 PolarHBondContact N-O 3.02Å; V39-S55 PolarHBondContact O-N 2.86Å; V39-S55 PolarHBondContact O-OG 2.74Å; S55-T57 PolarHBondContact OG-OG1 3.44Å; S55-L75 CarbonylContact C-O 3.49Å; S55-L75 VanDerWaalsContact CA-O 3.26Å; S55-L75 WeakPolarHBondContact CA-O 3.34Å |
| 56 | L | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 104.5 | 161.7 | -65.2 | 175.2 | 0 | 0 | 0 | 107.9 | I26 V29 I30 K37 P38 C74 L75 L125 | I26-L56 HydrophobicContact CG1-CD1 4.46Å; I26-L56 HydrophobicContact CG1-CD2 4.41Å; I26-L56 HydrophobicContact CG2-CD2 4Å; V29-L56 HydrophobicContact CB-CD1 4.44Å; V29-L56 HydrophobicContact CG1-CD1 4.04Å; I30-L56 HydrophobicContact CG2-CD2 4.09Å; K37-L56 WeakPolarHBondContact O-CA 3.47Å; P38-L56 HydrophobicContact CB-CD2 3.95Å; L56-C74 WeakPolarHBondContact O-CA 3.48Å; L56-L75 HydrophobicContact CB-CB 4.28Å; L56-L75 HydrophobicContact CB-CD1 4.45Å; L56-L75 PolarHBondContact N-O 3.09Å; L56-L75 PolarHBondContact O-N 3.18Å; L56-L125 HydrophobicContact CD1-CD1 4.05Å |
| 57 | T | 96.2 | Very high | 94.3 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.3 | -178.9 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | K37 S55 V73 C74 K91 | K37-T57 PolarHBondContact N-O 3.43Å; K37-T57 PolarHBondContact O-N 3.44Å; S55-T57 PolarHBondContact OG-OG1 3.44Å; T57-V73 WeakPolarHBondContact CA-O 3.45Å; T57-C74 PolarHBondContact OG1-SG 3.37Å; T57-C74 VanDerWaalsContact OG1-SG 3.33Å; T57-K91 HydrophobicContact CG2-CD 4.34Å |
| 58 | G | 96.1 | Very high | 94.7 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 19% | 0.186 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | -150.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D35 P72 V73 | D35-G58 VanDerWaalsContact O-CA 3.3Å; D35-G58 WeakPolarHBondContact O-CA 3.38Å; G58-P72 CarbonylContact O-C 3.56Å; G58-P72 VanDerWaalsContact O-CA 3.31Å; G58-P72 WeakPolarHBondContact O-CA 3.44Å; G58-V73 PolarHBondContact N-O 3.42Å; G58-V73 VanDerWaalsContact N-O 3.09Å; G58-V73 PolarHBondContact O-N 3.26Å |
| 59 | T | 96.5 | Very high | 94.9 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.2 | 179.1 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | D35 N70 I71 P72 | D35-T59 VanDerWaalsContact CB-OG1 3.27Å; D35-T59 WeakPolarHBondContact CB-OG1 3.18Å; D35-T59 PolarHBondContact OD2-OG1 3.21Å; T59-N70 HydrophobicContact CG2-CB 4.11Å; T59-I71 CarbonylContact C-O 3.59Å; T59-I71 VanDerWaalsContact CA-O 3.28Å; T59-I71 WeakPolarHBondContact CA-O 3.49Å; T59-P72 HydrophobicContact CG2-CB 4.16Å |
| 60 | V | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.4 | 170.2 | -67.7 | 0 | 0 | 0 | 0 | 110 | L36 V62 I71 V73 I129 | L36-V60 HydrophobicContact CD1-CG1 4.11Å; L36-V60 HydrophobicContact CD2-CG1 4.35Å; L36-V60 HydrophobicContact CG-CG1 4.46Å; V60-V62 HydrophobicContact CG2-CG2 4.17Å; V60-V62 PolarHBondContact O-N 3.14Å; V60-I71 HydrophobicContact CG2-CB 4.2Å; V60-I71 PolarHBondContact N-O 3.11Å; V60-I71 PolarHBondContact O-N 2.9Å; V60-V73 HydrophobicContact CG1-CG2 3.81Å; V60-V73 HydrophobicContact CG2-CG1 3.89Å; V60-V73 HydrophobicContact CG2-CG2 4.2Å; V60-I129 HydrophobicContact CG1-CG2 3.83Å |
| 61 | P | 96.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 119 | 179.4 | 30.4 | -32.9 | 0 | 0 | 0 | 110.4 | Y33 V68 | Y33-P61 HydrophobicContact CE1-CG 4.47Å; P61-V68 HydrophobicContact CB-CG1 3.85Å |
| 62 | V | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.3 | -177.3 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | V60 V68 Y69 I71 I133 F136 | V60-V62 HydrophobicContact CG2-CG2 4.17Å; V60-V62 PolarHBondContact O-N 3.14Å; V62-V68 CarbonylContact O-C 3.57Å; V62-V68 WeakPolarHBondContact O-CA 3.23Å; V62-Y69 PolarHBondContact N-O 2.79Å; V62-Y69 PolarHBondContact O-N 2.77Å; V62-I71 HydrophobicContact CB-CG1 3.84Å; V62-I71 HydrophobicContact CG2-CB 4.19Å; V62-I71 HydrophobicContact CG2-CG1 3.6Å; V62-I133 HydrophobicContact CG2-CG1 4.39Å; V62-F136 VanDerWaalsContact CG1-C 3.45Å; V62-F136 HydrophobicContact CG1-CB 3.76Å; V62-F136 HydrophobicContact CG2-CB 4.04Å; V62-F136 HydrophobicContact CG2-CD2 4.37Å |
| 63 | S | 95.8 | Very high | 95.6 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.8 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | N67 G137 | S63-N67 CarbonylContact C-O 3.56Å; S63-N67 WeakPolarHBondContact CA-O 3.38Å; S63-G137 VanDerWaalsContact O-CA 3.27Å; S63-G137 WeakPolarHBondContact O-CA 3.41Å |
| 64 | Y | 94.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 123.6 | 176 | -178.6 | -108.9 | 0 | 0 | 0 | 110 | G66 N67 Y69 G137 P140 | Y64-G66 PolarHBondContact O-N 3.33Å; Y64-G66 VanDerWaalsContact O-N 3.17Å; Y64-N67 PolarHBondContact N-O 3.3Å; Y64-N67 PolarHBondContact O-N 3.1Å; Y64-Y69 HydrophobicContact CD1-CE2 4.22Å; Y64-G137 VanDerWaalsContact CD2-O 3.28Å; Y64-G137 WeakPolarHBondContact CD2-O 3.31Å; Y64-P140 HydrophobicContact CD1-CG 3.72Å; Y64-P140 HydrophobicContact CD2-CG 3.24Å; Y64-P140 HydrophobicContact CE1-CG 3.75Å; Y64-P140 HydrophobicContact CE2-CG 3.31Å; Y64-P140 HydrophobicContact CG-CG 3.46Å; Y64-P140 VanDerWaalsContact CG-CG 3.46Å |
| 65 | R | 92.9 | Very high | 95.8 | Very high | 209 Ų | 209 | 46.6 Ų | 46.6 | 79% | 0.789 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.2 | 179.1 | -61.8 | -175.4 | 176 | -162.2 | -2.8 | 114.1 | N67 | R65-N67 VanDerWaalsContact C-N 3.32Å; R65-N67 PolarHBondContact O-N 3.08Å |
| 66 | G | 90.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 83% | 0.825 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -4.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y64 | Y64-G66 PolarHBondContact O-N 3.33Å; Y64-G66 VanDerWaalsContact O-N 3.17Å |
| 67 | N | 94.3 | Very high | 95.9 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 147.4 | 175.1 | -66.7 | -44.7 | 0 | 0 | 0 | 111 | S63 Y64 R65 Y69 | S63-N67 CarbonylContact C-O 3.56Å; S63-N67 WeakPolarHBondContact CA-O 3.38Å; Y64-N67 PolarHBondContact N-O 3.3Å; Y64-N67 PolarHBondContact O-N 3.1Å; R65-N67 VanDerWaalsContact C-N 3.32Å; R65-N67 PolarHBondContact O-N 3.08Å; N67-Y69 HydrophobicContact CB-CD2 4.38Å; N67-Y69 HydrophobicContact CB-CE2 3.62Å |
| 68 | V | 94.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 46.9 Ų | 46.9 | 56% | 0.564 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.5 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | P61 V62 | P61-V68 HydrophobicContact CB-CG1 3.85Å; V62-V68 CarbonylContact O-C 3.57Å; V62-V68 WeakPolarHBondContact O-CA 3.23Å |
| 69 | Y | 94.8 | Very high | 95.8 | Very high | 109 Ų | 109 | 48 Ų | 48 | 43% | 0.427 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 137.2 | 177.8 | -62.7 | -88.9 | 0 | 0 | 0 | 110.3 | V62 Y64 N67 I71 | V62-Y69 PolarHBondContact N-O 2.79Å; V62-Y69 PolarHBondContact O-N 2.77Å; Y64-Y69 HydrophobicContact CD1-CE2 4.22Å; N67-Y69 HydrophobicContact CB-CD2 4.38Å; N67-Y69 HydrophobicContact CB-CE2 3.62Å; Y69-I71 PolarHBondContact O-N 3.31Å |
| 70 | N | 95.7 | Very high | 95.7 | Very high | 89 Ų | 89 | 47.4 Ų | 47.4 | 48% | 0.476 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 96.8 | 176.8 | -66.8 | -39.5 | 0 | 0 | 0 | 109.2 | T59 P72 | T59-N70 HydrophobicContact CG2-CB 4.11Å; N70-P72 WeakPolarHBondContact O-CD 3.28Å |
| 71 | I | 96.2 | Very high | 95.8 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 121 | -175.3 | -55.7 | -58.3 | 0 | 0 | 0 | 109.4 | T59 V60 V62 Y69 V73 F136 P141 V142 | T59-I71 CarbonylContact C-O 3.59Å; T59-I71 VanDerWaalsContact CA-O 3.28Å; T59-I71 WeakPolarHBondContact CA-O 3.49Å; V60-I71 HydrophobicContact CG2-CB 4.2Å; V60-I71 PolarHBondContact N-O 3.11Å; V60-I71 PolarHBondContact O-N 2.9Å; V62-I71 HydrophobicContact CB-CG1 3.84Å; V62-I71 HydrophobicContact CG2-CB 4.19Å; V62-I71 HydrophobicContact CG2-CG1 3.6Å; Y69-I71 PolarHBondContact O-N 3.31Å; I71-V73 HydrophobicContact CG2-CG1 4.31Å; I71-V73 PolarHBondContact O-N 3.39Å; I71-F136 HydrophobicContact CG2-CD2 4.28Å; I71-F136 HydrophobicContact CG2-CE2 4.46Å; I71-P141 HydrophobicContact CG2-CG 3.56Å; I71-V142 HydrophobicContact CD1-CG2 3.91Å; I71-V142 HydrophobicContact CG2-CG2 4.36Å |
| 72 | P | 97 | Very high | 95.7 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 124.4 | -179.2 | 30.4 | -34.9 | 0 | 0 | 0 | 111.5 | G58 T59 N70 V90 K91 M96 | G58-P72 CarbonylContact O-C 3.56Å; G58-P72 VanDerWaalsContact O-CA 3.31Å; G58-P72 WeakPolarHBondContact O-CA 3.44Å; T59-P72 HydrophobicContact CG2-CB 4.16Å; N70-P72 WeakPolarHBondContact O-CD 3.28Å; P72-V90 WeakPolarHBondContact O-CA 3.32Å; P72-K91 WeakPolarHBondContact CB-O 3.47Å; P72-K91 WeakPolarHBondContact CG-O 3.3Å; P72-K91 PolarHBondContact O-N 3.45Å; P72-M96 HydrophobicContact CG-SD 4.08Å |
| 73 | V | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 157.2 | -176.3 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | L36 T57 G58 V60 I71 F89 M132 F136 | L36-V73 HydrophobicContact CD2-CG2 3.79Å; T57-V73 WeakPolarHBondContact CA-O 3.45Å; G58-V73 PolarHBondContact N-O 3.42Å; G58-V73 VanDerWaalsContact N-O 3.09Å; G58-V73 PolarHBondContact O-N 3.26Å; V60-V73 HydrophobicContact CG1-CG2 3.81Å; V60-V73 HydrophobicContact CG2-CG1 3.89Å; V60-V73 HydrophobicContact CG2-CG2 4.2Å; I71-V73 HydrophobicContact CG2-CG1 4.31Å; I71-V73 PolarHBondContact O-N 3.39Å; V73-F89 CarbonylContact C-O 3.54Å; V73-F89 VanDerWaalsContact CA-O 3.32Å; V73-F89 WeakPolarHBondContact CA-O 3.44Å; V73-M132 HydrophobicContact CB-CE 4.23Å; V73-M132 HydrophobicContact CG1-CE 3.71Å; V73-F136 HydrophobicContact CG1-CE2 4.28Å |
| 74 | C | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 115.8 | 175.4 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | L56 T57 W76 C88 F89 K91 | L56-C74 WeakPolarHBondContact O-CA 3.48Å; T57-C74 PolarHBondContact OG1-SG 3.37Å; T57-C74 VanDerWaalsContact OG1-SG 3.33Å; C74-W76 PolarHBondContact SG-NE1 3.16Å; C74-W76 VanDerWaalsContact SG-NE1 3.4Å; C74-C88 WeakPolarHBondContact O-CA 3.49Å; C74-F89 HydrophobicContact CB-CB 4.5Å; C74-F89 PolarHBondContact N-O 3.07Å; C74-F89 PolarHBondContact O-N 2.98Å; C74-K91 HydrophobicContact CB-CD 3.65Å; C74-K91 HydrophobicContact CB-CG 3.88Å; C74-K91 WeakPolarHBondContact SG-CE 3.34Å; C74-K91 PolarHBondContact SG-NZ 3.4Å |
| 75 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 104.2 | -178.8 | -47 | 171.6 | 0 | 0 | 0 | 108.7 | S55 L56 C88 L125 I129 M132 | S55-L75 CarbonylContact C-O 3.49Å; S55-L75 VanDerWaalsContact CA-O 3.26Å; S55-L75 WeakPolarHBondContact CA-O 3.34Å; L56-L75 HydrophobicContact CB-CB 4.28Å; L56-L75 HydrophobicContact CB-CD1 4.45Å; L56-L75 PolarHBondContact N-O 3.09Å; L56-L75 PolarHBondContact O-N 3.18Å; L75-C88 HydrophobicContact CD2-CB 3.82Å; L75-C88 WeakPolarHBondContact CD2-SG 3.47Å; L75-L125 HydrophobicContact CD1-CD2 4.23Å; L75-I129 HydrophobicContact CD1-CD1 4.11Å; L75-I129 HydrophobicContact CD1-CG1 4.05Å; L75-M132 HydrophobicContact CD2-CE 4.21Å; L75-M132 HydrophobicContact CD2-SD 3.98Å |
| 76 | W | 97.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 40 Ų | 40 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.6 | 176.8 | -70.5 | 99.2 | 0 | 0 | 0 | 110.8 | D41 Y43 L53 C74 P86 I87 F89 | D41-W76 HydrophobicContact CB-CH2 3.63Å; D41-W76 HydrophobicContact CB-CZ3 4.17Å; D41-W76 WeakPolarHBondContact O-CZ3 3.1Å; Y43-W76 HydrophobicContact CD2-CB 4.48Å; Y43-W76 AromaticContact CD2-CD1 3.86Å; Y43-W76 AromaticContact CD2-CD2 3.59Å; Y43-W76 HydrophobicContact CD2-CD2 3.59Å; Y43-W76 AromaticContact CD2-CE2 3.57Å; Y43-W76 HydrophobicContact CD2-CE3 4.11Å; Y43-W76 AromaticContact CD2-CG 3.77Å; Y43-W76 HydrophobicContact CD2-CG 3.77Å; Y43-W76 HydrophobicContact CD2-CH2 4.43Å; Y43-W76 HydrophobicContact CD2-CZ2 4.02Å; Y43-W76 AromaticContact CD2-NE1 3.73Å; Y43-W76 AromaticContact CE2-CD1 3.84Å; Y43-W76 HydrophobicContact CE2-CD2 4.33Å; Y43-W76 HydrophobicContact CE2-CG 4.05Å; Y43-W76 AromaticContact CE2-NE1 3.95Å; Y43-W76 HydrophobicContact CG-CD2 4.33Å; Y43-W76 HydrophobicContact CG-CE3 4.43Å; L53-W76 HydrophobicContact CB-CE3 3.72Å; L53-W76 HydrophobicContact CB-CZ3 3.91Å; L53-W76 WeakPolarHBondContact O-CZ3 3.18Å; C74-W76 PolarHBondContact SG-NE1 3.16Å; C74-W76 VanDerWaalsContact SG-NE1 3.4Å; W76-P86 CarbonylContact O-C 3.58Å; W76-P86 WeakPolarHBondContact O-CA 3.37Å; W76-P86 VanDerWaalsContact O-CB 3.31Å; W76-P86 WeakPolarHBondContact O-CB 3.3Å; W76-I87 HydrophobicContact CB-CB 4.21Å; W76-I87 WeakPolarHBondContact CB-O 3.46Å; W76-I87 PolarHBondContact N-O 2.72Å; W76-I87 PolarHBondContact O-N 3.01Å; W76-F89 AromaticContact CD1-CD2 3.82Å; W76-F89 AromaticContact CD1-CE2 3.84Å |
| 77 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.7 | 179 | -49.1 | -175.9 | 0 | 0 | 0 | 108.8 | Y16 T22 I26 M54 Y81 P86 L125 | Y16-L77 HydrophobicContact CE1-CB 4.14Å; Y16-L77 PolarHBondContact OH-O 3.16Å; T22-L77 HydrophobicContact CG2-CD1 3.89Å; I26-L77 HydrophobicContact CD1-CD1 3.72Å; I26-L77 HydrophobicContact CG1-CD1 3.76Å; M54-L77 HydrophobicContact CG-CD1 4.49Å; M54-L77 PolarHBondContact O-N 2.94Å; L77-Y81 HydrophobicContact CB-CD2 4.5Å; L77-Y81 HydrophobicContact CB-CG 4.34Å; L77-Y81 HydrophobicContact CD2-CD2 4.16Å; L77-Y81 HydrophobicContact CD2-CE2 4.25Å; L77-P86 HydrophobicContact CD2-CB 3.81Å; L77-L125 HydrophobicContact CD1-CD1 4.19Å; L77-L125 HydrophobicContact CD2-CD1 3.87Å; L77-L125 HydrophobicContact CD2-CD2 3.81Å; L77-L125 HydrophobicContact CD2-CG 4.34Å |
| 78 | L | 96.2 | Very high | 96.6 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 16% | 0.162 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 157.2 | 174.7 | -63.3 | 177 | 0 | 0 | 0 | 111.2 | Y16 F45 L53 T80 Y81 N84 I87 | Y16-L78 WeakPolarHBondContact CD1-O 3.46Å; Y16-L78 WeakPolarHBondContact CE1-O 3.34Å; F45-L78 HydrophobicContact CE1-CD2 4.04Å; F45-L78 HydrophobicContact CZ-CD2 4.18Å; L53-L78 HydrophobicContact CD1-CD2 4Å; L78-T80 PolarHBondContact O-N 3.03Å; L78-Y81 WeakPolarHBondContact O-CB 3.48Å; L78-Y81 PolarHBondContact O-N 2.65Å; L78-N84 HydrophobicContact CD1-CB 4.01Å; L78-I87 HydrophobicContact CD2-CD1 4.05Å |
| 79 | D | 94.1 | Very high | 96.7 | Very high | 42 Ų | 42 | 30.5 Ų | 30.5 | 23% | 0.225 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15.4 | 175.5 | 59.8 | 4.7 | 0 | 0 | 0 | 114.4 | Y16 K17 R51 | Y16-D79 WeakPolarHBondContact CA-O 3.35Å; K17-D79 PolarHBondContact N-O 2.94Å; R51-D79 IonicContact NH1-OD2 3.86Å; R51-D79 PolarHBondContact NH1-OD2 3.46Å |
| 80 | T | 95.9 | Very high | 96.8 | Very high | 23 Ų | 23 | 25.5 Ų | 25.5 | 14% | 0.141 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 1 | 179.4 | 41.7 | 0 | 0 | 0 | 0 | 113.8 | K17 Y18 L78 Y83 N84 | K17-T80 HydrophobicContact CD-CG2 4.02Å; Y18-T80 WeakPolarHBondContact CD2-O 3.43Å; L78-T80 PolarHBondContact O-N 3.03Å; T80-Y83 PolarHBondContact O-N 2.94Å; T80-Y83 VanDerWaalsContact O-N 3.08Å; T80-N84 VanDerWaalsContact CB-ND2 3.3Å; T80-N84 WeakPolarHBondContact CB-ND2 3.37Å; T80-N84 PolarHBondContact OG1-ND2 3.18Å |
| 81 | Y | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 137.6 | 172.3 | -171.2 | -88.8 | 0 | 0 | 0 | 111.1 | Y18 T22 E25 L77 L78 W118 L125 | Y18-Y81 WeakPolarHBondContact CB-O 3.41Å; T22-Y81 HydrophobicContact CG2-CD1 3.86Å; T22-Y81 PolarHBondContact OG1-O 3.43Å; E25-Y81 HydrophobicContact CB-CE1 4.27Å; E25-Y81 VanDerWaalsContact CD-OH 3.23Å; E25-Y81 PolarHBondContact OE2-OH 3.22Å; L77-Y81 HydrophobicContact CB-CD2 4.5Å; L77-Y81 HydrophobicContact CB-CG 4.34Å; L77-Y81 HydrophobicContact CD2-CD2 4.16Å; L77-Y81 HydrophobicContact CD2-CE2 4.25Å; L78-Y81 WeakPolarHBondContact O-CB 3.48Å; L78-Y81 PolarHBondContact O-N 2.65Å; Y81-W118 HydrophobicContact CE2-CH2 4.01Å; Y81-W118 AromaticContact CE2-CZ2 3.6Å; Y81-W118 HydrophobicContact CE2-CZ2 3.6Å; Y81-W118 AromaticContact CZ-CZ2 3.96Å; Y81-W118 WeakPolarHBondContact OH-CZ2 3.27Å; Y81-L125 HydrophobicContact CE1-CD1 4.25Å; Y81-L125 HydrophobicContact CE2-CD1 4.44Å; Y81-L125 HydrophobicContact CE2-CG 4.19Å; Y81-L125 VanDerWaalsContact OH-CG 3.29Å; Y81-L125 WeakPolarHBondContact OH-CG 3.37Å |
| 82 | P | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.9 | 6.5 | 10.2 | 35.9 | -37.2 | 0 | 0 | 0 | 115.8 | L21 N84 W118 H120 | L21-P82 HydrophobicContact CB-CG 4.11Å; L21-P82 HydrophobicContact CD1-CG 3.95Å; P82-N84 VanDerWaalsContact C-N 3.32Å; P82-N84 PolarHBondContact O-N 3.45Å; P82-W118 PolarHBondContact O-NE1 3.34Å; P82-H120 HydrophobicContact CB-CB 4.37Å; P82-H120 HydrophobicContact CG-CB 4.36Å; P82-H120 WeakPolarHBondContact CG-ND1 3.15Å |
| 83 | Y | 96.7 | Very high | 96.3 | Very high | 118 Ų | 118 | 29.6 Ų | 29.6 | 46% | 0.463 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -77.3 | -19.7 | -175.5 | -68.1 | -88.9 | 0 | 0 | 0 | 113.7 | Y18 T80 H120 | Y18-Y83 HydrophobicContact CD1-CD2 4.34Å; Y18-Y83 AromaticContact CD1-CE2 3.81Å; Y18-Y83 HydrophobicContact CD1-CE2 3.81Å; Y18-Y83 AromaticContact CD2-CD2 3.5Å; Y18-Y83 HydrophobicContact CD2-CD2 3.5Å; Y18-Y83 AromaticContact CD2-CE2 3.83Å; Y18-Y83 HydrophobicContact CD2-CE2 3.83Å; Y18-Y83 HydrophobicContact CE1-CD2 4.12Å; Y18-Y83 AromaticContact CE1-CE2 3.65Å; Y18-Y83 HydrophobicContact CE1-CE2 3.65Å; Y18-Y83 AromaticContact CE2-CD2 3.22Å; Y18-Y83 HydrophobicContact CE2-CD2 3.22Å; Y18-Y83 AromaticContact CE2-CE2 3.66Å; Y18-Y83 HydrophobicContact CE2-CE2 3.66Å; Y18-Y83 HydrophobicContact CE2-CG 4.19Å; Y18-Y83 HydrophobicContact CG-CD2 4.05Å; Y18-Y83 AromaticContact CG-CE2 3.89Å; Y18-Y83 HydrophobicContact CG-CE2 3.89Å; Y18-Y83 AromaticContact CZ-CD2 3.55Å; Y18-Y83 AromaticContact CZ-CE2 3.55Å; T80-Y83 PolarHBondContact O-N 2.94Å; T80-Y83 VanDerWaalsContact O-N 3.08Å; Y83-H120 HydrophobicContact CD1-CB 4.33Å |
| 84 | N | 96.1 | Very high | 95.9 | Very high | 72 Ų | 72 | 34.8 Ų | 34.8 | 39% | 0.385 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -112.4 | 144.6 | 169 | -72.6 | -59.9 | 0 | 0 | 0 | 110.2 | L78 T80 P82 | L78-N84 HydrophobicContact CD1-CB 4.01Å; T80-N84 VanDerWaalsContact CB-ND2 3.3Å; T80-N84 WeakPolarHBondContact CB-ND2 3.37Å; T80-N84 PolarHBondContact OG1-ND2 3.18Å; P82-N84 VanDerWaalsContact C-N 3.32Å; P82-N84 PolarHBondContact O-N 3.45Å |
| 85 | P | 97.5 | Very high | 95.5 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 26% | 0.26 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 155.5 | 179.4 | 25.5 | -33.3 | 0 | 0 | 0 | 111.9 | L115 W118 | P85-L115 HydrophobicContact CB-CD2 4.03Å; P85-W118 HydrophobicContact CB-CB 3.71Å; P85-W118 HydrophobicContact CB-CD2 3.87Å; P85-W118 HydrophobicContact CB-CE3 4.2Å; P85-W118 HydrophobicContact CB-CG 3.63Å; P85-W118 HydrophobicContact CG-CB 4.13Å; P85-W118 HydrophobicContact CG-CG 4.34Å |
| 86 | P | 97.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 149.5 | 170.9 | 31.8 | -35.7 | 0 | 0 | 0 | 111.8 | W76 L77 C88 L115 W118 L125 L128 | W76-P86 CarbonylContact O-C 3.58Å; W76-P86 WeakPolarHBondContact O-CA 3.37Å; W76-P86 VanDerWaalsContact O-CB 3.31Å; W76-P86 WeakPolarHBondContact O-CB 3.3Å; L77-P86 HydrophobicContact CD2-CB 3.81Å; P86-C88 PolarHBondContact O-SG 2.82Å; P86-L115 HydrophobicContact CG-CD2 4.01Å; P86-W118 HydrophobicContact CG-CH2 4.48Å; P86-W118 HydrophobicContact CG-CZ3 4.35Å; P86-L125 HydrophobicContact CB-CD2 4.24Å; P86-L125 HydrophobicContact CG-CD2 3.92Å; P86-L128 HydrophobicContact CG-CD2 3.36Å |
| 87 | I | 97.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 44.7 Ų | 44.7 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.8 | 171.7 | -47.9 | 177.5 | 0 | 0 | 0 | 108.4 | Y43 W76 L78 F89 | Y43-I87 HydrophobicContact CE1-CD1 3.94Å; W76-I87 HydrophobicContact CB-CB 4.21Å; W76-I87 WeakPolarHBondContact CB-O 3.46Å; W76-I87 PolarHBondContact N-O 2.72Å; W76-I87 PolarHBondContact O-N 3.01Å; L78-I87 HydrophobicContact CD2-CD1 4.05Å; I87-F89 HydrophobicContact CB-CE2 4.31Å; I87-F89 HydrophobicContact CG2-CD2 4.36Å; I87-F89 HydrophobicContact CG2-CE2 3.45Å; I87-F89 VanDerWaalsContact CG2-CE2 3.45Å; I87-F89 HydrophobicContact CG2-CZ 3.83Å |
| 88 | C | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.2 | -166.9 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | C74 L75 P86 K109 I110 L115 | C74-C88 WeakPolarHBondContact O-CA 3.49Å; L75-C88 HydrophobicContact CD2-CB 3.82Å; L75-C88 WeakPolarHBondContact CD2-SG 3.47Å; P86-C88 PolarHBondContact O-SG 2.82Å; C88-K109 WeakPolarHBondContact O-CA 3.39Å; C88-I110 HydrophobicContact CB-CB 3.93Å; C88-I110 HydrophobicContact CB-CD1 3.89Å; C88-I110 HydrophobicContact CB-CG1 4.44Å; C88-I110 PolarHBondContact O-N 2.91Å; C88-L115 HydrophobicContact CB-CD1 4.33Å |
| 89 | F | 97.4 | Very high | 94.6 | Very high | 37 Ų | 37 | 49 Ų | 49 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149 | 176.2 | -61.3 | -95.8 | 0 | 0 | 0 | 111.5 | Y43 V73 C74 W76 I87 G108 K109 | Y43-F89 HydrophobicContact CE2-CE2 4Å; Y43-F89 HydrophobicContact CE2-CZ 4.36Å; V73-F89 CarbonylContact C-O 3.54Å; V73-F89 VanDerWaalsContact CA-O 3.32Å; V73-F89 WeakPolarHBondContact CA-O 3.44Å; C74-F89 HydrophobicContact CB-CB 4.5Å; C74-F89 PolarHBondContact N-O 3.07Å; C74-F89 PolarHBondContact O-N 2.98Å; W76-F89 AromaticContact CD1-CD2 3.82Å; W76-F89 AromaticContact CD1-CE2 3.84Å; I87-F89 HydrophobicContact CB-CE2 4.31Å; I87-F89 HydrophobicContact CG2-CD2 4.36Å; I87-F89 HydrophobicContact CG2-CE2 3.45Å; I87-F89 VanDerWaalsContact CG2-CE2 3.45Å; I87-F89 HydrophobicContact CG2-CZ 3.83Å; F89-G108 CarbonylContact C-O 3.57Å; F89-G108 VanDerWaalsContact CA-O 3.22Å; F89-G108 WeakPolarHBondContact CA-O 3.47Å; F89-K109 HydrophobicContact CD1-CB 3.8Å; F89-K109 HydrophobicContact CD1-CG 4.27Å; F89-K109 HydrophobicContact CE1-CB 3.62Å; F89-K109 HydrophobicContact CE1-CD 4.13Å; F89-K109 HydrophobicContact CE1-CG 3.88Å; F89-K109 HydrophobicContact CZ-CB 4.44Å; F89-K109 HydrophobicContact CZ-CD 4.22Å; F89-K109 HydrophobicContact CZ-CG 4.21Å |
| 90 | V | 96.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 134.7 | 157.8 | -66.3 | 0 | 0 | 0 | 0 | 109.9 | P72 P92 I98 I104 G108 I110 F136 P141 V142 | P72-V90 WeakPolarHBondContact O-CA 3.32Å; V90-P92 WeakPolarHBondContact O-CD 3.26Å; V90-I98 HydrophobicContact CG2-CG1 4.11Å; V90-I104 HydrophobicContact CG1-CD1 4.03Å; V90-I104 HydrophobicContact CG2-CD1 4.3Å; V90-I104 HydrophobicContact CG2-CG2 4.31Å; V90-G108 WeakPolarHBondContact CG2-O 3.47Å; V90-G108 PolarHBondContact N-O 3.23Å; V90-I110 HydrophobicContact CG1-CD1 3.94Å; V90-I110 HydrophobicContact CG1-CG1 4.17Å; V90-F136 HydrophobicContact CG1-CE2 4.42Å; V90-F136 HydrophobicContact CG1-CZ 4.21Å; V90-P141 HydrophobicContact CG1-CB 3.87Å; V90-P141 HydrophobicContact CG1-CG 4.02Å; V90-V142 HydrophobicContact CB-CG1 4.27Å; V90-V142 HydrophobicContact CG2-CG1 4.25Å |
| 91 | K | 94.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 37% | 0.365 | 29% | 0.289 | S | S | . | . | trans | -113.3 | 83 | -179.5 | -77.2 | -166 | 172.3 | 170.2 | 0 | 110.1 | T57 P72 C74 | T57-K91 HydrophobicContact CG2-CD 4.34Å; P72-K91 WeakPolarHBondContact CB-O 3.47Å; P72-K91 WeakPolarHBondContact CG-O 3.3Å; P72-K91 PolarHBondContact O-N 3.45Å; C74-K91 HydrophobicContact CB-CD 3.65Å; C74-K91 HydrophobicContact CB-CG 3.88Å; C74-K91 WeakPolarHBondContact SG-CE 3.34Å; C74-K91 PolarHBondContact SG-NZ 3.4Å | ||
| 92 | P | 93.1 | Very high | 94 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 31% | 0.312 | 33% | 0.325 | S | S | . | . | trans | -58.8 | 142.7 | -178.9 | 29.3 | -38.9 | 0 | 0 | 0 | 111.3 | V90 M96 I98 V142 | V90-P92 WeakPolarHBondContact O-CD 3.26Å; P92-M96 HydrophobicContact CB-CB 3.74Å; P92-I98 HydrophobicContact CB-CG1 4.45Å; P92-I98 HydrophobicContact CG-CD1 3.99Å; P92-I98 HydrophobicContact CG-CG1 3.84Å; P92-V142 HydrophobicContact CB-CG1 4.42Å | ||
| 93 | T | 91.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | trans | -72.9 | 171.8 | 166.5 | 64.7 | 0 | 0 | 0 | 0 | 110.6 | T95 M96 | T93-T95 PolarHBondContact O-N 2.88Å; T93-T95 PolarHBondContact OG1-OG1 3.46Å; T93-T95 VanDerWaalsContact OG1-OG1 3.07Å; T93-M96 HydrophobicContact CG2-SD 4.34Å; T93-M96 PolarHBondContact O-N 2.9Å; T93-M96 WeakPolarHBondContact OG1-CG 3.45Å | ||
| 94 | S | 88.3 | Confident | 93.7 | Very high | 111 Ų | 111 | 56.7 Ų | 56.7 | 78% | 0.776 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.8 | 175.4 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 95 | T | 88.7 | Confident | 93.5 | Very high | 90 Ų | 90 | 55.2 Ų | 55.2 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 4.2 | 178.2 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | T93 S144 R145 | T93-T95 PolarHBondContact O-N 2.88Å; T93-T95 PolarHBondContact OG1-OG1 3.46Å; T93-T95 VanDerWaalsContact OG1-OG1 3.07Å; T95-S144 CarbonylContact O-C 3.52Å; T95-S144 WeakPolarHBondContact O-CA 3.37Å; T95-R145 PolarHBondContact O-N 3Å |
| 96 | M | 92.3 | Very high | 93.3 | Very high | 48 Ų | 48 | 57 Ų | 57 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 163.3 | 179.9 | -67.5 | 175.8 | -178.3 | 0 | 0 | 111.8 | P72 P92 T93 V142 F143 R145 | P72-M96 HydrophobicContact CG-SD 4.08Å; P92-M96 HydrophobicContact CB-CB 3.74Å; T93-M96 HydrophobicContact CG2-SD 4.34Å; T93-M96 PolarHBondContact O-N 2.9Å; T93-M96 WeakPolarHBondContact OG1-CG 3.45Å; M96-V142 HydrophobicContact SD-CG2 4.05Å; M96-F143 CarbonylContact C-O 3.54Å; M96-F143 VanDerWaalsContact CA-O 3.22Å; M96-F143 WeakPolarHBondContact CA-O 3.45Å; M96-R145 PolarHBondContact O-NE 3.24Å; M96-R145 VanDerWaalsContact O-NE 3.12Å |
| 97 | M | 90.9 | Very high | 93.1 | Very high | 86 Ų | 86 | 63 Ų | 63 | 42% | 0.424 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.4 | 169 | -68.4 | -175.6 | -57.3 | 0 | 0 | 109.4 | V142 F143 R145 | M97-V142 CarbonylContact O-C 3.44Å; M97-V142 WeakPolarHBondContact O-CA 3.42Å; M97-F143 PolarHBondContact N-O 3.36Å; M97-F143 PolarHBondContact O-N 3.23Å; M97-R145 HydrophobicContact CE-CG 4.13Å; M97-R145 HydrophobicContact CG-CG 3.53Å; M97-R145 HydrophobicContact SD-CG 3.9Å |
| 98 | I | 94.8 | Very high | 92.9 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 132.1 | 173.4 | -67.6 | 158.3 | 0 | 0 | 0 | 108.4 | V90 P92 I104 | V90-I98 HydrophobicContact CG2-CG1 4.11Å; P92-I98 HydrophobicContact CB-CG1 4.45Å; P92-I98 HydrophobicContact CG-CD1 3.99Å; P92-I98 HydrophobicContact CG-CG1 3.84Å; I98-I104 HydrophobicContact CG2-CG2 3.78Å |
| 99 | K | 92.7 | Very high | 92.8 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | trans | -94.2 | 109.8 | 166.1 | -170.9 | -157 | -164.4 | -159.9 | 0 | 107.7 | E139 P140 P141 F143 | K99-E139 HydrophobicContact CD-CG 4.36Å; K99-E139 IonicContact NZ-OE1 3.65Å; K99-E139 PolarHBondContact NZ-OE1 3.07Å; K99-P140 WeakPolarHBondContact CD-O 3.46Å; K99-P141 PolarHBondContact N-O 2.95Å; K99-F143 HydrophobicContact CB-CD2 3.84Å; K99-F143 HydrophobicContact CB-CE2 3.68Å; K99-F143 HydrophobicContact CD-CD2 4.28Å; K99-F143 HydrophobicContact CD-CE2 3.28Å; K99-F143 HydrophobicContact CD-CZ 3.74Å; K99-F143 HydrophobicContact CG-CD2 4.08Å; K99-F143 HydrophobicContact CG-CE2 3.47Å; K99-F143 VanDerWaalsContact CG-CE2 3.47Å; K99-F143 HydrophobicContact CG-CZ 4.41Å | ||
| 100 | T | 91.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 62.8 Ų | 62.8 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | trans | -68.6 | 146.8 | 171.3 | 55.6 | 0 | 0 | 0 | 0 | 110 | I104 A106 | T100-I104 WeakPolarHBondContact CA-O 3.45Å; T100-A106 HydrophobicContact CG2-CB 4.13Å | ||
| 101 | G | 90 | Very high | 92.8 | Very high | 40 Ų | 40 | 67.7 Ų | 67.7 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -173.2 | -165.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H103 I104 | G101-H103 PolarHBondContact O-N 3.12Å; G101-I104 PolarHBondContact N-O 3.32Å; G101-I104 PolarHBondContact O-N 3.45Å; G101-I104 VanDerWaalsContact O-O 3.09Å |
| 102 | K | 91.6 | Very high | 92.9 | Very high | 175 Ų | 175 | 64.1 Ų | 64.1 | 76% | 0.761 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.9 | -178.3 | -176.6 | 178.5 | 178.1 | -176.2 | 0 | 112.8 | ||
| 103 | H | 92.6 | Very high | 93.1 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 17% | 0.167 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -3 | -172.7 | -62.4 | -60.3 | 0 | 0 | 0 | 113.7 | G101 I110 Y111 L112 V135 | G101-H103 PolarHBondContact O-N 3.12Å; H103-I110 CarbonylContact O-C 3.56Å; H103-I110 WeakPolarHBondContact O-CA 3.32Å; H103-Y111 WeakPolarHBondContact CA-O 3.4Å; H103-Y111 WeakPolarHBondContact CB-O 3.31Å; H103-Y111 PolarHBondContact ND1-O 3.48Å; H103-Y111 PolarHBondContact O-N 2.82Å; H103-L112 HydrophobicContact CB-CD2 4.31Å; H103-V135 HydrophobicContact CB-CG1 4.34Å |
| 104 | I | 94.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.051 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -143.7 | 130.2 | -172.9 | -64 | -175.1 | 0 | 0 | 0 | 111.7 | V90 I98 T100 G101 K109 I110 F136 P141 | V90-I104 HydrophobicContact CG1-CD1 4.03Å; V90-I104 HydrophobicContact CG2-CD1 4.3Å; V90-I104 HydrophobicContact CG2-CG2 4.31Å; I98-I104 HydrophobicContact CG2-CG2 3.78Å; T100-I104 WeakPolarHBondContact CA-O 3.45Å; G101-I104 PolarHBondContact N-O 3.32Å; G101-I104 PolarHBondContact O-N 3.45Å; G101-I104 VanDerWaalsContact O-O 3.09Å; I104-K109 WeakPolarHBondContact CA-O 3.38Å; I104-I110 HydrophobicContact CD1-CG1 4.36Å; I104-I110 HydrophobicContact CG1-CG1 4.27Å; I104-F136 HydrophobicContact CD1-CE1 3.91Å; I104-F136 HydrophobicContact CD1-CZ 4.32Å; I104-P141 HydrophobicContact CD1-CB 2.98Å; I104-P141 HydrophobicContact CD1-CG 4.29Å; I104-P141 HydrophobicContact CG1-CB 4.44Å |
| 105 | D | 92.9 | Very high | 93.7 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 22% | 0.219 | 32% | 0.324 | C | S | . | . | trans | -89.3 | 176.5 | 174.8 | 71.5 | 20.1 | 0 | 0 | 0 | 113.7 | N107 G108 K109 Y111 | D105-N107 PolarHBondContact O-N 2.88Å; D105-N107 WeakPolarHBondContact OD1-CA 3.4Å; D105-N107 WeakPolarHBondContact OD1-CB 3.42Å; D105-N107 PolarHBondContact OD1-N 2.94Å; D105-G108 PolarHBondContact O-N 3.44Å; D105-G108 PolarHBondContact OD1-N 3.27Å; D105-K109 PolarHBondContact N-O 3.48Å; D105-K109 VanDerWaalsContact N-O 3.17Å; D105-K109 WeakPolarHBondContact OD1-CB 3.45Å; D105-K109 PolarHBondContact OD1-N 2.86Å; D105-K109 WeakPolarHBondContact OD2-CB 3.31Å; D105-Y111 HydrophobicContact CB-CE2 3.81Å; D105-Y111 WeakPolarHBondContact OD2-CE2 3.3Å; D105-Y111 PolarHBondContact OD2-OH 3.23Å | ||
| 106 | A | 92.4 | Very high | 94.1 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | T100 G108 | T100-A106 HydrophobicContact CG2-CB 4.13Å; A106-G108 VanDerWaalsContact C-N 3.3Å |
| 107 | N | 92.4 | Very high | 94.3 | Very high | 129 Ų | 129 | 69 Ų | 69 | 69% | 0.69 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -1.5 | 176.6 | -60.4 | -41.8 | 0 | 0 | 0 | 112.1 | D105 K109 | D105-N107 PolarHBondContact O-N 2.88Å; D105-N107 WeakPolarHBondContact OD1-CA 3.4Å; D105-N107 WeakPolarHBondContact OD1-CB 3.42Å; D105-N107 PolarHBondContact OD1-N 2.94Å; N107-K109 VanDerWaalsContact C-N 3.31Å |
| 108 | G | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | 79.5 | 11.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F89 V90 D105 A106 | F89-G108 CarbonylContact C-O 3.57Å; F89-G108 VanDerWaalsContact CA-O 3.22Å; F89-G108 WeakPolarHBondContact CA-O 3.47Å; V90-G108 WeakPolarHBondContact CG2-O 3.47Å; V90-G108 PolarHBondContact N-O 3.23Å; D105-G108 PolarHBondContact O-N 3.44Å; D105-G108 PolarHBondContact OD1-N 3.27Å; A106-G108 VanDerWaalsContact C-N 3.3Å | ||
| 109 | K | 96.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 70 Ų | 70 | 27% | 0.27 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -71.8 | 137.7 | 175.4 | -171.9 | 171.9 | 164.2 | -169.3 | 0 | 109.7 | C88 F89 I104 D105 N107 Y111 | C88-K109 WeakPolarHBondContact O-CA 3.39Å; F89-K109 HydrophobicContact CD1-CB 3.8Å; F89-K109 HydrophobicContact CD1-CG 4.27Å; F89-K109 HydrophobicContact CE1-CB 3.62Å; F89-K109 HydrophobicContact CE1-CD 4.13Å; F89-K109 HydrophobicContact CE1-CG 3.88Å; F89-K109 HydrophobicContact CZ-CB 4.44Å; F89-K109 HydrophobicContact CZ-CD 4.22Å; F89-K109 HydrophobicContact CZ-CG 4.21Å; I104-K109 WeakPolarHBondContact CA-O 3.38Å; D105-K109 PolarHBondContact N-O 3.48Å; D105-K109 VanDerWaalsContact N-O 3.17Å; D105-K109 WeakPolarHBondContact OD1-CB 3.45Å; D105-K109 PolarHBondContact OD1-N 2.86Å; D105-K109 WeakPolarHBondContact OD2-CB 3.31Å; N107-K109 VanDerWaalsContact C-N 3.31Å; K109-Y111 HydrophobicContact CB-CE2 4.01Å; K109-Y111 HydrophobicContact CD-CE1 4.45Å; K109-Y111 HydrophobicContact CD-CE2 4.49Å; K109-Y111 WeakPolarHBondContact CD-OH 3.28Å; K109-Y111 HydrophobicContact CG-CE2 4.11Å; K109-Y111 WeakPolarHBondContact O-CD2 3.29Å; K109-Y111 WeakPolarHBondContact O-CE2 3.45Å |
| 110 | I | 97.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -98.1 | 133.1 | -173.8 | -60.5 | 158.2 | 0 | 0 | 0 | 110 | C88 V90 H103 I104 L112 M132 F136 | C88-I110 HydrophobicContact CB-CB 3.93Å; C88-I110 HydrophobicContact CB-CD1 3.89Å; C88-I110 HydrophobicContact CB-CG1 4.44Å; C88-I110 PolarHBondContact O-N 2.91Å; V90-I110 HydrophobicContact CG1-CD1 3.94Å; V90-I110 HydrophobicContact CG1-CG1 4.17Å; H103-I110 CarbonylContact O-C 3.56Å; H103-I110 WeakPolarHBondContact O-CA 3.32Å; I104-I110 HydrophobicContact CD1-CG1 4.36Å; I104-I110 HydrophobicContact CG1-CG1 4.27Å; I110-L112 HydrophobicContact CG2-CD1 3.9Å; I110-L112 HydrophobicContact CG2-CG 3.8Å; I110-M132 HydrophobicContact CD1-CE 3.6Å; I110-F136 HydrophobicContact CD1-CE2 4.49Å; I110-F136 HydrophobicContact CD1-CZ 3.85Å; I110-F136 HydrophobicContact CG1-CZ 4.12Å; I110-F136 HydrophobicContact CG2-CZ 4.34Å |
| 111 | Y | 97 | Very high | 94.9 | Very high | 107 Ų | 107 | 69.4 Ų | 69.4 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | trans | -123.8 | 113.1 | 178.3 | -57.4 | -91.6 | 0 | 0 | 0 | 109.2 | H103 D105 K109 | H103-Y111 WeakPolarHBondContact CA-O 3.4Å; H103-Y111 WeakPolarHBondContact CB-O 3.31Å; H103-Y111 PolarHBondContact ND1-O 3.48Å; H103-Y111 PolarHBondContact O-N 2.82Å; D105-Y111 HydrophobicContact CB-CE2 3.81Å; D105-Y111 WeakPolarHBondContact OD2-CE2 3.3Å; D105-Y111 PolarHBondContact OD2-OH 3.23Å; K109-Y111 HydrophobicContact CB-CE2 4.01Å; K109-Y111 HydrophobicContact CD-CE1 4.45Å; K109-Y111 HydrophobicContact CD-CE2 4.49Å; K109-Y111 WeakPolarHBondContact CD-OH 3.28Å; K109-Y111 HydrophobicContact CG-CE2 4.11Å; K109-Y111 WeakPolarHBondContact O-CD2 3.29Å; K109-Y111 WeakPolarHBondContact O-CE2 3.45Å | ||
| 112 | L | 96.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 73.7 Ų | 73.7 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | trans | -128.7 | 144.8 | -179.4 | -67.1 | 172 | 0 | 0 | 0 | 109.8 | H103 I110 Y114 L115 H116 L128 V131 M132 V135 | H103-L112 HydrophobicContact CB-CD2 4.31Å; I110-L112 HydrophobicContact CG2-CD1 3.9Å; I110-L112 HydrophobicContact CG2-CG 3.8Å; L112-Y114 PolarHBondContact O-N 2.92Å; L112-L115 HydrophobicContact CB-CD1 4.27Å; L112-L115 HydrophobicContact CB-CG 4.28Å; L112-L115 WeakPolarHBondContact O-CB 3.31Å; L112-L115 PolarHBondContact O-N 3.37Å; L112-H116 PolarHBondContact O-N 2.77Å; L112-H116 VanDerWaalsContact O-N 3.16Å; L112-L128 HydrophobicContact CD1-CD1 3.96Å; L112-V131 HydrophobicContact CD1-CG1 4.28Å; L112-M132 HydrophobicContact CD1-CG 3.59Å; L112-V135 HydrophobicContact CD2-CB 4.21Å; L112-V135 HydrophobicContact CD2-CG1 3.97Å; L112-V135 HydrophobicContact CD2-CG2 3.98Å | ||
| 113 | P | 96.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 49% | 0.494 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52 | -38.8 | 170.6 | -27.1 | 35.5 | 0 | 0 | 0 | 112.2 | L115 H116 E117 | P113-L115 VanDerWaalsContact C-N 3.27Å; P113-L115 PolarHBondContact O-N 2.89Å; P113-H116 WeakPolarHBondContact O-CB 3.41Å; P113-H116 PolarHBondContact O-N 2.9Å; P113-E117 PolarHBondContact O-N 3.25Å |
| 114 | Y | 96.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.4 | -30.7 | 176.2 | -166.8 | -88.4 | 0 | 0 | 0 | 114.1 | L112 W118 S123 D124 L128 V131 | L112-Y114 PolarHBondContact O-N 2.92Å; Y114-W118 HydrophobicContact CD1-CE3 4.13Å; Y114-W118 HydrophobicContact CD1-CZ3 4.26Å; Y114-W118 AromaticContact CE1-CE3 3.89Å; Y114-W118 HydrophobicContact CE1-CE3 3.89Å; Y114-W118 AromaticContact CE1-CZ3 3.73Å; Y114-W118 HydrophobicContact CE1-CZ3 3.73Å; Y114-W118 PolarHBondContact O-N 3.47Å; Y114-S123 WeakPolarHBondContact OH-CA 3.13Å; Y114-D124 PolarHBondContact OH-N 3.32Å; Y114-D124 VanDerWaalsContact OH-N 3.15Å; Y114-D124 PolarHBondContact OH-O 3.5Å; Y114-L128 HydrophobicContact CD1-CB 3.95Å; Y114-L128 HydrophobicContact CD1-CD1 3.9Å; Y114-L128 HydrophobicContact CE1-CB 3.74Å; Y114-V131 HydrophobicContact CD2-CG2 3.91Å; Y114-V131 HydrophobicContact CE2-CG2 4.44Å; Y114-V131 HydrophobicContact CG-CG2 4.16Å |
| 115 | L | 96.8 | Very high | 95.8 | Very high | 21 Ų | 21 | 66.2 Ų | 66.2 | 11% | 0.11 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78.4 | -33 | 173.6 | -70.1 | 170.3 | 0 | 0 | 0 | 111.7 | P85 P86 C88 L112 P113 W118 L128 | P85-L115 HydrophobicContact CB-CD2 4.03Å; P86-L115 HydrophobicContact CG-CD2 4.01Å; C88-L115 HydrophobicContact CB-CD1 4.33Å; L112-L115 HydrophobicContact CB-CD1 4.27Å; L112-L115 HydrophobicContact CB-CG 4.28Å; L112-L115 WeakPolarHBondContact O-CB 3.31Å; L112-L115 PolarHBondContact O-N 3.37Å; P113-L115 VanDerWaalsContact C-N 3.27Å; P113-L115 PolarHBondContact O-N 2.89Å; L115-W118 HydrophobicContact CD2-CE3 4.49Å; L115-W118 WeakPolarHBondContact O-CB 3.45Å; L115-L128 HydrophobicContact CD1-CD1 4.36Å; L115-L128 HydrophobicContact CD2-CD1 3.67Å; L115-L128 HydrophobicContact CD2-CD2 3.83Å; L115-L128 HydrophobicContact CD2-CG 4.42Å; L115-L128 HydrophobicContact CG-CD1 3.78Å |
| 116 | H | 95.9 | Very high | 95.9 | Very high | 171 Ų | 171 | 67.7 Ų | 67.7 | 79% | 0.792 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -72 | -40.5 | 179.5 | -173.5 | 66.2 | 0 | 0 | 0 | 112.1 | L112 P113 W118 | L112-H116 PolarHBondContact O-N 2.77Å; L112-H116 VanDerWaalsContact O-N 3.16Å; P113-H116 WeakPolarHBondContact O-CB 3.41Å; P113-H116 PolarHBondContact O-N 2.9Å; H116-W118 VanDerWaalsContact C-N 3.29Å; H116-W118 PolarHBondContact O-N 2.91Å |
| 117 | E | 96.1 | Very high | 96.1 | Very high | 147 Ų | 147 | 64.8 Ų | 64.8 | 69% | 0.687 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 16.8 | 179.8 | -62.6 | 174.3 | -168.7 | 0 | 0 | 112.6 | P113 K119 | P113-E117 PolarHBondContact O-N 3.25Å; E117-K119 PolarHBondContact O-N 3.43Å |
| 118 | W | 97.8 | Very high | 96.4 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | trans | -58.6 | 122.9 | -174.4 | -178.5 | -80 | 0 | 0 | 0 | 111.9 | Y81 P82 P85 P86 Y114 L115 H116 L128 | Y81-W118 HydrophobicContact CE2-CH2 4.01Å; Y81-W118 AromaticContact CE2-CZ2 3.6Å; Y81-W118 HydrophobicContact CE2-CZ2 3.6Å; Y81-W118 AromaticContact CZ-CZ2 3.96Å; Y81-W118 WeakPolarHBondContact OH-CZ2 3.27Å; P82-W118 PolarHBondContact O-NE1 3.34Å; P85-W118 HydrophobicContact CB-CB 3.71Å; P85-W118 HydrophobicContact CB-CD2 3.87Å; P85-W118 HydrophobicContact CB-CE3 4.2Å; P85-W118 HydrophobicContact CB-CG 3.63Å; P85-W118 HydrophobicContact CG-CB 4.13Å; P85-W118 HydrophobicContact CG-CG 4.34Å; P86-W118 HydrophobicContact CG-CH2 4.48Å; P86-W118 HydrophobicContact CG-CZ3 4.35Å; Y114-W118 HydrophobicContact CD1-CE3 4.13Å; Y114-W118 HydrophobicContact CD1-CZ3 4.26Å; Y114-W118 AromaticContact CE1-CE3 3.89Å; Y114-W118 HydrophobicContact CE1-CE3 3.89Å; Y114-W118 AromaticContact CE1-CZ3 3.73Å; Y114-W118 HydrophobicContact CE1-CZ3 3.73Å; Y114-W118 PolarHBondContact O-N 3.47Å; L115-W118 HydrophobicContact CD2-CE3 4.49Å; L115-W118 WeakPolarHBondContact O-CB 3.45Å; H116-W118 VanDerWaalsContact C-N 3.29Å; H116-W118 PolarHBondContact O-N 2.91Å; W118-L128 HydrophobicContact CZ3-CB 4.19Å; W118-L128 HydrophobicContact CZ3-CD2 4.3Å | ||
| 119 | K | 96.9 | Very high | 96.5 | Very high | 136 Ų | 136 | 58.6 Ų | 58.6 | 59% | 0.591 | 28% | 0.284 | S | S | * | . | trans | -146.6 | 116.5 | 178.8 | -170.6 | 178.1 | -179.2 | 174.3 | 0 | 111.1 | E117 Q122 S123 | E117-K119 PolarHBondContact O-N 3.43Å; K119-Q122 CarbonylContact O-C 3.47Å; K119-Q122 WeakPolarHBondContact O-CA 3.45Å; K119-Q122 WeakPolarHBondContact O-CB 2.97Å; K119-Q122 PolarHBondContact O-N 3Å; K119-Q122 PolarHBondContact O-OE1 3.01Å; K119-Q122 VanDerWaalsContact O-OE1 3.12Å; K119-S123 PolarHBondContact N-OG 3.43Å; K119-S123 PolarHBondContact O-N 3.42Å; K119-S123 PolarHBondContact O-OG 2.82Å | ||
| 120 | H | 93.8 | Very high | 96.5 | Very high | 46 Ų | 46 | 59 Ų | 59 | 21% | 0.213 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 136.6 | 171.8 | -175 | 76.6 | 0 | 0 | 0 | 110.6 | P82 Y83 | P82-H120 HydrophobicContact CB-CB 4.37Å; P82-H120 HydrophobicContact CG-CB 4.36Å; P82-H120 WeakPolarHBondContact CG-ND1 3.15Å; Y83-H120 HydrophobicContact CD1-CB 4.33Å |
| 121 | P | 95.5 | Very high | 96.5 | Very high | 95 Ų | 95 | 61 Ų | 61 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -94.7 | 6.6 | 4.7 | 38.3 | -36.9 | 0 | 0 | 0 | 115.3 | S123 | P121-S123 VanDerWaalsContact C-N 3.31Š|
| 122 | Q | 95.9 | Very high | 96.5 | Very high | 131 Ų | 131 | 55.9 Ų | 55.9 | 61% | 0.612 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -31.1 | -179.4 | -63 | 86.3 | -4 | 0 | 0 | 112.9 | K119 | K119-Q122 CarbonylContact O-C 3.47Å; K119-Q122 WeakPolarHBondContact O-CA 3.45Å; K119-Q122 WeakPolarHBondContact O-CB 2.97Å; K119-Q122 PolarHBondContact O-N 3Å; K119-Q122 PolarHBondContact O-OE1 3.01Å; K119-Q122 VanDerWaalsContact O-OE1 3.12Å |
| 123 | S | 97.4 | Very high | 96.5 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | trans | -107.3 | 129.7 | 178.4 | -49.6 | 0 | 0 | 0 | 0 | 110.9 | Y114 K119 P121 | Y114-S123 WeakPolarHBondContact OH-CA 3.13Å; K119-S123 PolarHBondContact N-OG 3.43Å; K119-S123 PolarHBondContact O-N 3.42Å; K119-S123 PolarHBondContact O-OG 2.82Å; P121-S123 VanDerWaalsContact C-N 3.31Å | ||
| 124 | D | 96.7 | Very high | 96.5 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | trans | -135.3 | 169.6 | 173.2 | 68.1 | 23.9 | 0 | 0 | 0 | 112.2 | E25 Y114 Y126 G127 L128 | E25-D124 WeakPolarHBondContact OE2-CB 3.21Å; Y114-D124 PolarHBondContact OH-N 3.32Å; Y114-D124 VanDerWaalsContact OH-N 3.15Å; Y114-D124 PolarHBondContact OH-O 3.5Å; D124-Y126 VanDerWaalsContact C-N 3.28Å; D124-Y126 PolarHBondContact O-N 3.47Å; D124-Y126 PolarHBondContact OD1-N 3.03Å; D124-G127 PolarHBondContact OD1-N 3.43Å; D124-L128 PolarHBondContact O-N 3.15Å; D124-L128 VanDerWaalsContact O-N 3.1Å | ||
| 125 | L | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -32 | -180 | -81.5 | 164 | 0 | 0 | 0 | 113.1 | E25 V29 L56 L75 L77 Y81 P86 L128 I129 | E25-L125 HydrophobicContact CB-CD1 4.38Å; E25-L125 PolarHBondContact OE2-N 2.96Å; V29-L125 HydrophobicContact CG2-CB 3.6Å; L56-L125 HydrophobicContact CD1-CD1 4.05Å; L75-L125 HydrophobicContact CD1-CD2 4.23Å; L77-L125 HydrophobicContact CD1-CD1 4.19Å; L77-L125 HydrophobicContact CD2-CD1 3.87Å; L77-L125 HydrophobicContact CD2-CD2 3.81Å; L77-L125 HydrophobicContact CD2-CG 4.34Å; Y81-L125 HydrophobicContact CE1-CD1 4.25Å; Y81-L125 HydrophobicContact CE2-CD1 4.44Å; Y81-L125 HydrophobicContact CE2-CG 4.19Å; Y81-L125 VanDerWaalsContact OH-CG 3.29Å; Y81-L125 WeakPolarHBondContact OH-CG 3.37Å; P86-L125 HydrophobicContact CB-CD2 4.24Å; P86-L125 HydrophobicContact CG-CD2 3.92Å; L125-L128 HydrophobicContact CD2-CD2 4.36Å; L125-L128 PolarHBondContact O-N 2.81Å; L125-I129 VanDerWaalsContact O-CG1 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.5Å; L125-I129 PolarHBondContact O-N 3.24Å |
| 126 | Y | 96 | Very high | 96.4 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.1 | -48.4 | -178.2 | 176.5 | -104 | 0 | 0 | 0 | 110.7 | Q32 Y33 D124 L128 I129 Q130 | Q32-Y126 HydrophobicContact CB-CE2 4.5Å; Q32-Y126 HydrophobicContact CG-CE2 4.48Å; Q32-Y126 PolarHBondContact OE1-OH 2.97Å; Y33-Y126 AromaticContact CE2-CD2 3.94Å; Y33-Y126 HydrophobicContact CE2-CD2 3.94Å; Y33-Y126 AromaticContact CE2-CE2 3.89Å; Y33-Y126 HydrophobicContact CE2-CE2 3.89Å; D124-Y126 VanDerWaalsContact C-N 3.28Å; D124-Y126 PolarHBondContact O-N 3.47Å; D124-Y126 PolarHBondContact OD1-N 3.03Å; Y126-L128 VanDerWaalsContact C-N 3.31Å; Y126-L128 PolarHBondContact O-N 3.05Å; Y126-I129 PolarHBondContact O-N 2.96Å; Y126-Q130 HydrophobicContact CD1-CG 4.42Å; Y126-Q130 HydrophobicContact CE1-CG 3.99Å; Y126-Q130 HydrophobicContact CE2-CG 4.42Å; Y126-Q130 VanDerWaalsContact CZ-NE2 3.27Å; Y126-Q130 WeakPolarHBondContact O-CG 3.48Å; Y126-Q130 PolarHBondContact O-N 3.48Å; Y126-Q130 PolarHBondContact OH-NE2 3.34Å |
| 127 | G | 96.6 | Very high | 96.3 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | D124 I129 Q130 V131 | D124-G127 PolarHBondContact OD1-N 3.43Å; G127-I129 PolarHBondContact O-N 3.33Å; G127-Q130 WeakPolarHBondContact O-CB 3.43Å; G127-Q130 PolarHBondContact O-N 3.34Å; G127-V131 WeakPolarHBondContact O-CG2 3.36Å; G127-V131 PolarHBondContact O-N 3.39Å |
| 128 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 173.1 | 174.3 | 63.7 | 0 | 0 | 0 | 111.9 | P86 L112 Y114 L115 W118 D124 L125 Y126 Q130 V131 M132 | P86-L128 HydrophobicContact CG-CD2 3.36Å; L112-L128 HydrophobicContact CD1-CD1 3.96Å; Y114-L128 HydrophobicContact CD1-CB 3.95Å; Y114-L128 HydrophobicContact CD1-CD1 3.9Å; Y114-L128 HydrophobicContact CE1-CB 3.74Å; L115-L128 HydrophobicContact CD1-CD1 4.36Å; L115-L128 HydrophobicContact CD2-CD1 3.67Å; L115-L128 HydrophobicContact CD2-CD2 3.83Å; L115-L128 HydrophobicContact CD2-CG 4.42Å; L115-L128 HydrophobicContact CG-CD1 3.78Å; W118-L128 HydrophobicContact CZ3-CB 4.19Å; W118-L128 HydrophobicContact CZ3-CD2 4.3Å; D124-L128 PolarHBondContact O-N 3.15Å; D124-L128 VanDerWaalsContact O-N 3.1Å; L125-L128 HydrophobicContact CD2-CD2 4.36Å; L125-L128 PolarHBondContact O-N 2.81Å; Y126-L128 VanDerWaalsContact C-N 3.31Å; Y126-L128 PolarHBondContact O-N 3.05Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 3.38Å; L128-V131 PolarHBondContact O-N 3.37Å; L128-M132 HydrophobicContact CD1-CG 4.36Å; L128-M132 HydrophobicContact CD1-SD 4.35Å; L128-M132 HydrophobicContact CG-SD 4.06Å; L128-M132 VanDerWaalsContact O-CG 3.29Å; L128-M132 WeakPolarHBondContact O-CG 3.37Å; L128-M132 PolarHBondContact O-N 3.1Å |
| 129 | I | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 179.4 | -65.9 | 163.4 | 0 | 0 | 0 | 110.8 | V29 Y33 L36 V60 L75 L125 Y126 G127 M132 I133 | V29-I129 HydrophobicContact CB-CD1 4.49Å; V29-I129 HydrophobicContact CG1-CD1 3.42Å; V29-I129 VanDerWaalsContact CG1-CD1 3.42Å; V29-I129 HydrophobicContact CG2-CD1 4.24Å; Y33-I129 HydrophobicContact CD1-CG2 4.45Å; Y33-I129 HydrophobicContact CD2-CD1 4.05Å; Y33-I129 HydrophobicContact CD2-CG2 4.17Å; Y33-I129 HydrophobicContact CE1-CG2 3.9Å; Y33-I129 HydrophobicContact CE2-CB 4.1Å; Y33-I129 HydrophobicContact CE2-CD1 4.15Å; Y33-I129 HydrophobicContact CE2-CG2 3.56Å; Y33-I129 VanDerWaalsContact CZ-CG2 3.41Å; L36-I129 HydrophobicContact CD1-CD1 3.72Å; V60-I129 HydrophobicContact CG1-CG2 3.83Å; L75-I129 HydrophobicContact CD1-CD1 4.11Å; L75-I129 HydrophobicContact CD1-CG1 4.05Å; L125-I129 VanDerWaalsContact O-CG1 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.5Å; L125-I129 PolarHBondContact O-N 3.24Å; Y126-I129 PolarHBondContact O-N 2.96Å; G127-I129 PolarHBondContact O-N 3.33Å; I129-M132 WeakPolarHBondContact O-CB 3.22Å; I129-M132 PolarHBondContact O-N 2.94Å; I129-I133 HydrophobicContact CG2-CD1 3.98Å; I129-I133 HydrophobicContact CG2-CG1 4.4Å; I129-I133 VanDerWaalsContact O-CG1 3.3Å; I129-I133 WeakPolarHBondContact O-CG1 3.31Å; I129-I133 PolarHBondContact O-N 3.42Å |
| 130 | Q | 97.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -46 | 174.2 | -68.3 | -62.3 | -23 | 0 | 0 | 111.7 | Y33 Y126 G127 L128 M132 I133 V134 | Y33-Q130 PolarHBondContact OH-NE2 2.98Å; Y126-Q130 HydrophobicContact CD1-CG 4.42Å; Y126-Q130 HydrophobicContact CE1-CG 3.99Å; Y126-Q130 HydrophobicContact CE2-CG 4.42Å; Y126-Q130 VanDerWaalsContact CZ-NE2 3.27Å; Y126-Q130 WeakPolarHBondContact O-CG 3.48Å; Y126-Q130 PolarHBondContact O-N 3.48Å; Y126-Q130 PolarHBondContact OH-NE2 3.34Å; G127-Q130 WeakPolarHBondContact O-CB 3.43Å; G127-Q130 PolarHBondContact O-N 3.34Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 3.38Å; Q130-M132 VanDerWaalsContact C-N 3.32Å; Q130-M132 PolarHBondContact O-N 3.47Å; Q130-I133 PolarHBondContact O-N 2.95Å; Q130-V134 WeakPolarHBondContact O-CG2 3.36Å; Q130-V134 PolarHBondContact O-N 3.23Å; Q130-V134 VanDerWaalsContact O-N 3.12Å |
| 131 | V | 97.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 42.5 Ų | 42.5 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 175 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L112 Y114 G127 L128 I133 V134 V135 | L112-V131 HydrophobicContact CD1-CG1 4.28Å; Y114-V131 HydrophobicContact CD2-CG2 3.91Å; Y114-V131 HydrophobicContact CE2-CG2 4.44Å; Y114-V131 HydrophobicContact CG-CG2 4.16Å; G127-V131 WeakPolarHBondContact O-CG2 3.36Å; G127-V131 PolarHBondContact O-N 3.39Å; L128-V131 PolarHBondContact O-N 3.37Å; V131-I133 VanDerWaalsContact C-N 3.34Å; V131-I133 PolarHBondContact O-N 3.18Å; V131-V134 PolarHBondContact O-N 3.25Å; V131-V135 HydrophobicContact CG1-CG2 4.19Å; V131-V135 WeakPolarHBondContact O-CB 3.45Å; V131-V135 WeakPolarHBondContact O-CG2 3.45Å; V131-V135 PolarHBondContact O-N 3.4Å |
| 132 | M | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 175.4 | -71.9 | 173.5 | 67.3 | 0 | 0 | 112 | V73 L75 I110 L112 L128 I129 Q130 V134 V135 F136 | V73-M132 HydrophobicContact CB-CE 4.23Å; V73-M132 HydrophobicContact CG1-CE 3.71Å; L75-M132 HydrophobicContact CD2-CE 4.21Å; L75-M132 HydrophobicContact CD2-SD 3.98Å; I110-M132 HydrophobicContact CD1-CE 3.6Å; L112-M132 HydrophobicContact CD1-CG 3.59Å; L128-M132 HydrophobicContact CD1-CG 4.36Å; L128-M132 HydrophobicContact CD1-SD 4.35Å; L128-M132 HydrophobicContact CG-SD 4.06Å; L128-M132 VanDerWaalsContact O-CG 3.29Å; L128-M132 WeakPolarHBondContact O-CG 3.37Å; L128-M132 PolarHBondContact O-N 3.1Å; I129-M132 WeakPolarHBondContact O-CB 3.22Å; I129-M132 PolarHBondContact O-N 2.94Å; Q130-M132 VanDerWaalsContact C-N 3.32Å; Q130-M132 PolarHBondContact O-N 3.47Å; M132-V134 VanDerWaalsContact C-N 3.35Å; M132-V134 PolarHBondContact O-N 3.2Å; M132-V135 PolarHBondContact O-N 2.73Å; M132-F136 HydrophobicContact CB-CD2 4.26Å; M132-F136 HydrophobicContact CB-CE2 4.02Å; M132-F136 HydrophobicContact CB-CZ 4.44Å; M132-F136 HydrophobicContact CE-CE2 3.51Å; M132-F136 HydrophobicContact CE-CZ 3.84Å; M132-F136 HydrophobicContact CG-CE2 4.41Å; M132-F136 HydrophobicContact CG-CZ 4.46Å; M132-F136 WeakPolarHBondContact O-CB 3.46Å; M132-F136 WeakPolarHBondContact O-CD2 3.14Å; M132-F136 WeakPolarHBondContact O-CG 3.44Å; M132-F136 PolarHBondContact O-N 3.07Å |
| 133 | I | 96.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 17% | 0.174 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 178.9 | -70.4 | 165.8 | 0 | 0 | 0 | 111.1 | Y33 V62 I129 Q130 V131 G137 | Y33-I133 HydrophobicContact CE1-CD1 3.87Å; Y33-I133 VanDerWaalsContact OH-CD1 3.32Å; Y33-I133 WeakPolarHBondContact OH-CD1 3.28Å; V62-I133 HydrophobicContact CG2-CG1 4.39Å; I129-I133 HydrophobicContact CG2-CD1 3.98Å; I129-I133 HydrophobicContact CG2-CG1 4.4Å; I129-I133 VanDerWaalsContact O-CG1 3.3Å; I129-I133 WeakPolarHBondContact O-CG1 3.31Å; I129-I133 PolarHBondContact O-N 3.42Å; Q130-I133 PolarHBondContact O-N 2.95Å; V131-I133 VanDerWaalsContact C-N 3.34Å; V131-I133 PolarHBondContact O-N 3.18Å; I133-G137 PolarHBondContact O-N 3.07Å |
| 134 | V | 96.2 | Very high | 94.8 | Very high | 88 Ų | 88 | 40.8 Ų | 40.8 | 53% | 0.533 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65 | -53.1 | 177.4 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | Q130 V131 M132 F136 G137 E138 | Q130-V134 WeakPolarHBondContact O-CG2 3.36Å; Q130-V134 PolarHBondContact O-N 3.23Å; Q130-V134 VanDerWaalsContact O-N 3.12Å; V131-V134 PolarHBondContact O-N 3.25Å; M132-V134 VanDerWaalsContact C-N 3.35Å; M132-V134 PolarHBondContact O-N 3.2Å; V134-F136 PolarHBondContact O-N 3.47Å; V134-G137 WeakPolarHBondContact O-CA 3.46Å; V134-G137 PolarHBondContact O-N 3.26Å; V134-G137 VanDerWaalsContact O-N 3.08Å; V134-E138 PolarHBondContact O-N 2.92Å; V134-E138 VanDerWaalsContact O-N 3.15Å |
| 135 | V | 95.9 | Very high | 94.2 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | -176.9 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | H103 L112 V131 M132 G137 E138 E139 | H103-V135 HydrophobicContact CB-CG1 4.34Å; L112-V135 HydrophobicContact CD2-CB 4.21Å; L112-V135 HydrophobicContact CD2-CG1 3.97Å; L112-V135 HydrophobicContact CD2-CG2 3.98Å; V131-V135 HydrophobicContact CG1-CG2 4.19Å; V131-V135 WeakPolarHBondContact O-CB 3.45Å; V131-V135 WeakPolarHBondContact O-CG2 3.45Å; V131-V135 PolarHBondContact O-N 3.4Å; M132-V135 PolarHBondContact O-N 2.73Å; V135-G137 VanDerWaalsContact C-N 3.28Å; V135-G137 PolarHBondContact O-N 3.26Å; V135-E138 PolarHBondContact O-N 3.22Å; V135-E139 PolarHBondContact O-N 2.92Å |
| 136 | F | 95.7 | Very high | 93 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.5 | -22.4 | 177.1 | -62.9 | -15.8 | 0 | 0 | 0 | 113.1 | V62 I71 V73 V90 I104 I110 M132 V134 E138 E139 P140 P141 | V62-F136 VanDerWaalsContact CG1-C 3.45Å; V62-F136 HydrophobicContact CG1-CB 3.76Å; V62-F136 HydrophobicContact CG2-CB 4.04Å; V62-F136 HydrophobicContact CG2-CD2 4.37Å; I71-F136 HydrophobicContact CG2-CD2 4.28Å; I71-F136 HydrophobicContact CG2-CE2 4.46Å; V73-F136 HydrophobicContact CG1-CE2 4.28Å; V90-F136 HydrophobicContact CG1-CE2 4.42Å; V90-F136 HydrophobicContact CG1-CZ 4.21Å; I104-F136 HydrophobicContact CD1-CE1 3.91Å; I104-F136 HydrophobicContact CD1-CZ 4.32Å; I110-F136 HydrophobicContact CD1-CE2 4.49Å; I110-F136 HydrophobicContact CD1-CZ 3.85Å; I110-F136 HydrophobicContact CG1-CZ 4.12Å; I110-F136 HydrophobicContact CG2-CZ 4.34Å; M132-F136 HydrophobicContact CB-CD2 4.26Å; M132-F136 HydrophobicContact CB-CE2 4.02Å; M132-F136 HydrophobicContact CB-CZ 4.44Å; M132-F136 HydrophobicContact CE-CE2 3.51Å; M132-F136 HydrophobicContact CE-CZ 3.84Å; M132-F136 HydrophobicContact CG-CE2 4.41Å; M132-F136 HydrophobicContact CG-CZ 4.46Å; M132-F136 WeakPolarHBondContact O-CB 3.46Å; M132-F136 WeakPolarHBondContact O-CD2 3.14Å; M132-F136 WeakPolarHBondContact O-CG 3.44Å; M132-F136 PolarHBondContact O-N 3.07Å; V134-F136 PolarHBondContact O-N 3.47Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E139 WeakPolarHBondContact CA-O 3.27Å; F136-E139 CarbonylContact O-C 3.41Å; F136-P140 WeakPolarHBondContact O-CA 3.29Å; F136-P141 HydrophobicContact CB-CG 4.32Å; F136-P141 HydrophobicContact CD1-CB 4.04Å; F136-P141 HydrophobicContact CD1-CG 3.88Å; F136-P141 HydrophobicContact CD2-CG 3.93Å; F136-P141 HydrophobicContact CE1-CB 4.02Å; F136-P141 HydrophobicContact CE1-CG 4.14Å; F136-P141 HydrophobicContact CE2-CG 4.15Å; F136-P141 HydrophobicContact CG-CB 4.45Å; F136-P141 HydrophobicContact CG-CG 3.78Å; F136-P141 HydrophobicContact CZ-CB 4.37Å; F136-P141 HydrophobicContact CZ-CG 4.26Å |
| 137 | G | 94.1 | Very high | 91.2 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 22% | 0.216 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.6 | -23.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S63 Y64 I133 V134 V135 | S63-G137 VanDerWaalsContact O-CA 3.27Å; S63-G137 WeakPolarHBondContact O-CA 3.41Å; Y64-G137 VanDerWaalsContact CD2-O 3.28Å; Y64-G137 WeakPolarHBondContact CD2-O 3.31Å; I133-G137 PolarHBondContact O-N 3.07Å; V134-G137 WeakPolarHBondContact O-CA 3.46Å; V134-G137 PolarHBondContact O-N 3.26Å; V134-G137 VanDerWaalsContact O-N 3.08Å; V135-G137 VanDerWaalsContact C-N 3.28Å; V135-G137 PolarHBondContact O-N 3.26Å |
| 138 | E | 93.5 | Very high | 89 | Confident | 152 Ų | 152 | 57.9 Ų | 57.9 | 71% | 0.71 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -86.1 | -49.9 | 170.5 | -65.9 | -178.1 | 173.9 | 0 | 0 | 110.9 | V134 V135 F136 | V134-E138 PolarHBondContact O-N 2.92Å; V134-E138 VanDerWaalsContact O-N 3.15Å; V135-E138 PolarHBondContact O-N 3.22Å; F136-E138 VanDerWaalsContact C-N 3.34Å |
| 139 | E | 92.9 | Very high | 86.4 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -126.2 | 97.8 | 180 | -177.8 | 164.2 | -143.5 | 0 | 0 | 111.5 | K99 V135 F136 | K99-E139 HydrophobicContact CD-CG 4.36Å; K99-E139 IonicContact NZ-OE1 3.65Å; K99-E139 PolarHBondContact NZ-OE1 3.07Å; V135-E139 PolarHBondContact O-N 2.92Å; F136-E139 WeakPolarHBondContact CA-O 3.27Å; F136-E139 CarbonylContact O-C 3.41Å |
| 140 | P | 93.3 | Very high | 83.9 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 7% | 0.065 | 39% | 0.391 | C | S | . | . | trans | -60.5 | 131.4 | 179.4 | -28.7 | 36 | 0 | 0 | 0 | 112.2 | Y64 K99 F136 F143 | Y64-P140 HydrophobicContact CD1-CG 3.72Å; Y64-P140 HydrophobicContact CD2-CG 3.24Å; Y64-P140 HydrophobicContact CE1-CG 3.75Å; Y64-P140 HydrophobicContact CE2-CG 3.31Å; Y64-P140 HydrophobicContact CG-CG 3.46Å; Y64-P140 VanDerWaalsContact CG-CG 3.46Å; K99-P140 WeakPolarHBondContact CD-O 3.46Å; F136-P140 WeakPolarHBondContact O-CA 3.29Å; P140-F143 HydrophobicContact CB-CE1 4.25Å | ||
| 141 | P | 92.5 | Very high | 81.4 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.013 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -83.2 | -15.1 | -172.7 | 34.5 | -39.7 | 0 | 0 | 0 | 113.8 | I71 V90 K99 I104 F136 | I71-P141 HydrophobicContact CG2-CG 3.56Å; V90-P141 HydrophobicContact CG1-CB 3.87Å; V90-P141 HydrophobicContact CG1-CG 4.02Å; K99-P141 PolarHBondContact N-O 2.95Å; I104-P141 HydrophobicContact CD1-CB 2.98Å; I104-P141 HydrophobicContact CD1-CG 4.29Å; I104-P141 HydrophobicContact CG1-CB 4.44Å; F136-P141 HydrophobicContact CB-CG 4.32Å; F136-P141 HydrophobicContact CD1-CB 4.04Å; F136-P141 HydrophobicContact CD1-CG 3.88Å; F136-P141 HydrophobicContact CD2-CG 3.93Å; F136-P141 HydrophobicContact CE1-CB 4.02Å; F136-P141 HydrophobicContact CE1-CG 4.14Å; F136-P141 HydrophobicContact CE2-CG 4.15Å; F136-P141 HydrophobicContact CG-CB 4.45Å; F136-P141 HydrophobicContact CG-CG 3.78Å; F136-P141 HydrophobicContact CZ-CB 4.37Å; F136-P141 HydrophobicContact CZ-CG 4.26Å |
| 142 | V | 92.8 | Very high | 78.6 | Confident | 11 Ų | 11 | 81.2 Ų | 81.2 | 7% | 0.067 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.6 | -179.8 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | I71 V90 P92 M96 M97 | I71-V142 HydrophobicContact CD1-CG2 3.91Å; I71-V142 HydrophobicContact CG2-CG2 4.36Å; V90-V142 HydrophobicContact CB-CG1 4.27Å; V90-V142 HydrophobicContact CG2-CG1 4.25Å; P92-V142 HydrophobicContact CB-CG1 4.42Å; M96-V142 HydrophobicContact SD-CG2 4.05Å; M97-V142 CarbonylContact O-C 3.44Å; M97-V142 WeakPolarHBondContact O-CA 3.42Å |
| 143 | F | 89.8 | Confident | 76.2 | Confident | 93 Ų | 93 | 86.1 Ų | 86.1 | 41% | 0.408 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 151.4 | 170.5 | -65.8 | -67.4 | 0 | 0 | 0 | 111 | M96 M97 K99 P140 | M96-F143 CarbonylContact C-O 3.54Å; M96-F143 VanDerWaalsContact CA-O 3.22Å; M96-F143 WeakPolarHBondContact CA-O 3.45Å; M97-F143 PolarHBondContact N-O 3.36Å; M97-F143 PolarHBondContact O-N 3.23Å; K99-F143 HydrophobicContact CB-CD2 3.84Å; K99-F143 HydrophobicContact CB-CE2 3.68Å; K99-F143 HydrophobicContact CD-CD2 4.28Å; K99-F143 HydrophobicContact CD-CE2 3.28Å; K99-F143 HydrophobicContact CD-CZ 3.74Å; K99-F143 HydrophobicContact CG-CD2 4.08Å; K99-F143 HydrophobicContact CG-CE2 3.47Å; K99-F143 VanDerWaalsContact CG-CE2 3.47Å; K99-F143 HydrophobicContact CG-CZ 4.41Å; P140-F143 HydrophobicContact CB-CE1 4.25Å |
| 144 | S | 86.8 | Confident | 73.6 | Confident | 96 Ų | 96 | 89.9 Ų | 89.9 | 67% | 0.671 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 135 | 169.1 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | T95 | T95-S144 CarbonylContact O-C 3.52Å; T95-S144 WeakPolarHBondContact O-CA 3.37Å |
| 145 | R | 84.5 | Confident | 71 | Confident | 138 Ų | 138 | 95 Ų | 95 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 126.4 | 168.3 | -70.8 | -178.8 | -177.6 | -135.6 | -0.6 | 108.8 | T95 M96 M97 T147 | T95-R145 PolarHBondContact O-N 3Å; M96-R145 PolarHBondContact O-NE 3.24Å; M96-R145 VanDerWaalsContact O-NE 3.12Å; M97-R145 HydrophobicContact CE-CG 4.13Å; M97-R145 HydrophobicContact CG-CG 3.53Å; M97-R145 HydrophobicContact SD-CG 3.9Å; R145-T147 PolarHBondContact O-N 3.11Å |
| 146 | P | 71.3 | Confident | 68.4 | Low | 101 Ų | 101 | 102.8 Ų | 102.8 | 66% | 0.656 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 128.1 | 171.8 | 23.6 | -29.4 | 0 | 0 | 0 | 109.5 | T148 | P146-T148 PolarHBondContact O-N 3.24Š|
| 147 | T | 58.3 | Low | 65.7 | Low | 148 Ų | 148 | 107.6 Ų | 107.6 | 91% | 0.908 | 59% | 0.594 | S | S | * | * | trans | -81.5 | 10.1 | 180 | 23.4 | 0 | 0 | 0 | 0 | 114 | R145 Q149 | R145-T147 PolarHBondContact O-N 3.11Å; T147-Q149 PolarHBondContact O-N 3.19Å | ||
| 148 | T | 50.9 | Low | 63.3 | Low | 115 Ų | 115 | 111.8 Ų | 111.8 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | trans | -91.5 | 101.1 | -178.2 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | P146 | P146-T148 PolarHBondContact O-N 3.24Š| ||
| 149 | Q | 42.8 | Very low | 60.8 | Low | 180 Ų | 180 | 107.7 Ų | 107.7 | 84% | 0.841 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 129.6 | 153.6 | -82.6 | -177.6 | -22.5 | 0 | 0 | 108.4 | T147 | T147-Q149 PolarHBondContact O-N 3.19Š|
| 150 | P | 43.8 | Very low | 58.3 | Low | 103 Ų | 103 | 110.6 Ų | 110.6 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133.3 | 164.4 | -6.5 | 20.4 | 0 | 0 | 0 | 108.3 | F152 | P150-F152 PolarHBondContact O-N 3.2Å; P150-F152 VanDerWaalsContact O-N 3.16Å |
| 151 | P | 44.1 | Very low | 56.1 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 119.1 | 166.9 | 28.1 | -33.3 | 0 | 0 | 0 | 107.7 | ||
| 152 | F | 39.7 | Very low | 53.4 | Low | 199 Ų | 199 | 123.6 Ų | 123.6 | 87% | 0.873 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.5 | 171.6 | -75.5 | -87.2 | 0 | 0 | 0 | 109.2 | P150 S154 | P150-F152 PolarHBondContact O-N 3.2Å; P150-F152 VanDerWaalsContact O-N 3.16Å; F152-S154 PolarHBondContact O-N 2.83Å |
| 153 | P | 46.2 | Very low | 50.7 | Low | 102 Ų | 102 | 127.5 Ų | 127.5 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 123.2 | 168.4 | 23 | -23.5 | 0 | 0 | 0 | 108.9 | F155 | P153-F155 PolarHBondContact O-N 3.47Å; P153-F155 VanDerWaalsContact O-N 3.14Å |
| 154 | S | 40.5 | Very low | 48 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -64.8 | 108.4 | 170.7 | 53.5 | 0 | 0 | 0 | 0 | 109.4 | F152 Q156 | F152-S154 PolarHBondContact O-N 2.83Å; S154-Q156 PolarHBondContact O-N 2.92Å | ||
| 155 | F | 41.7 | Very low | 45.6 | Very low | 194 Ų | 194 | 134.9 Ų | 134.9 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -72.9 | 117 | 166.7 | -88.1 | -89 | 0 | 0 | 0 | 109.3 | P153 A157 | P153-F155 PolarHBondContact O-N 3.47Å; P153-F155 VanDerWaalsContact O-N 3.14Å; F155-A157 PolarHBondContact O-N 2.96Å | ||
| 156 | Q | 42.3 | Very low | 43.1 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -72.6 | 118.9 | 164.3 | -80.6 | 179.6 | -28.2 | 0 | 0 | 108.8 | S154 A158 | S154-Q156 PolarHBondContact O-N 2.92Å; Q156-A158 PolarHBondContact O-N 2.93Å | ||
| 157 | A | 37.3 | Very low | 42.1 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -76.2 | 111.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | F155 | F155-A157 PolarHBondContact O-N 2.96Š| ||
| 158 | A | 43.7 | Very low | 40.8 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 103.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q156 | Q156-A158 PolarHBondContact O-N 2.93Š| ||
| 159 | G | 40.8 | Very low | 39.9 | Very low | 66 Ų | 66 | 136.6 Ų | 136.6 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 150.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 160 | P | 40.7 | Very low | 40.2 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 159.6 | -178.1 | 21.7 | -14.4 | 0 | 0 | 0 | 113.1 | ||
| 161 | P | 48.8 | Very low | 39.8 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 136.5 | -167.5 | 34.6 | -31 | 0 | 0 | 0 | 111.1 | ||
| 162 | N | 34.9 | Very low | 39.2 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -149.7 | 141.5 | 152.3 | -139.8 | -5.2 | 0 | 0 | 0 | 113.5 | ||||
| 163 | S | 36.5 | Very low | 39.2 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | trans | -80.5 | 145.7 | -171.8 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 164 | S | 33.5 | Very low | 39 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 153.2 | 132.7 | 114.3 | 55.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 165 | Y | 34.5 | Very low | 38.6 | Very low | 226 Ų | 226 | 134.8 Ų | 134.8 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | trans | 73.6 | 110.6 | 144.6 | -129 | -99.3 | 0 | 0 | 0 | 124 | ||||
| 166 | M | 32.9 | Very low | 38.1 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -19.8 | 178.3 | 151.8 | -81.3 | -117.4 | 170 | 0 | 0 | 121.6 | ||||
| 167 | P | 50.9 | Low | 37.7 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | cis | -143.7 | 172.1 | -41.2 | 38.6 | -20.2 | 0 | 0 | 0 | 115.8 | ||||
| 168 | G | 31.1 | Very low | 37.6 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 157.4 | 123.2 | 158 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 169 | M | 30.7 | Very low | 37.7 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -69.3 | -174.4 | 178.2 | -77.4 | -146.2 | -172.2 | 0 | 0 | 115.4 | ||||
| 170 | P | 50.6 | Low | 37.5 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | -133.9 | 179.4 | -52.8 | 38.5 | -21.4 | 0 | 0 | 0 | 113.8 | |||||
| 171 | A | 34.6 | Very low | 37.6 | Very low | 92 Ų | 92 | 134.3 Ų | 134.3 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | 76.4 | 126.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 172 | V | 30.9 | Very low | 36.9 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -180 | 123.1 | 118.1 | 160.9 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 173 | S | 39.6 | Very low | 36.7 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -81.4 | 163.8 | 165.4 | -38.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 174 | P | 43.1 | Very low | 36.9 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | -148 | 159.3 | 60.8 | 31.8 | -8.1 | 0 | 0 | 0 | 117.9 | |||||
| 175 | Y | 31.8 | Very low | 37 | Very low | 226 Ų | 226 | 135 Ų | 135 | 89% | 0.886 | 80% | 0.796 | S | S | * | * | trans | -0.4 | 147.5 | 140.4 | -67.2 | -84.3 | 0 | 0 | 0 | 118.4 | ||||
| 176 | G | 31.8 | Very low | 36.9 | Very low | 64 Ų | 64 | 128.9 Ų | 128.9 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | cis | 124.2 | 112.7 | 17.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 177 | Q | 32.5 | Very low | 36.9 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 64 | 116.9 | 145.5 | -61.7 | -173.5 | 2.4 | 0 | 0 | 123 | ||||
| 178 | N | 36.2 | Very low | 36 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | 36.2 | 159.3 | 116.1 | -120 | 16.2 | 0 | 0 | 0 | 120.9 | |||||
| 179 | P | 46.3 | Very low | 36.3 | Very low | 111 Ų | 111 | 142 Ų | 142 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | cis | -142.4 | 171 | 9.7 | 36.2 | -12.5 | 0 | 0 | 0 | 118.4 | ||||
| 180 | N | 35.1 | Very low | 37 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -26.9 | -179.4 | 165.9 | -139.3 | 24.1 | 0 | 0 | 0 | 120.2 | ||||
| 181 | P | 43.8 | Very low | 36.4 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | cis | -130.3 | 158.3 | -31.9 | 18.6 | 4 | 0 | 0 | 0 | 114.1 | ||||
| 182 | G | 34.4 | Very low | 36.4 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | 149.6 | 116 | 153.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 183 | G | 30.4 | Very low | 36.6 | Very low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | 157.5 | 110.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 184 | Y | 40.4 | Very low | 36.3 | Very low | 230 Ų | 230 | 140.4 Ų | 140.4 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 144.8 | 165.4 | -68 | -94.6 | 0 | 0 | 0 | 110.4 | A186 | Y184-A186 PolarHBondContact O-N 3.49Š|
| 185 | P | 36.3 | Very low | 35.8 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 117.4 | 172.7 | 24.4 | -17.9 | 0 | 0 | 0 | 109.9 | ||
| 186 | A | 31.1 | Very low | 36 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 125 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y184 | Y184-A186 PolarHBondContact O-N 3.49Š|
| 187 | Y | 34.5 | Very low | 36 | Very low | 223 Ų | 223 | 142.6 Ų | 142.6 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 125.3 | 168.2 | -89 | -90.7 | 0 | 0 | 0 | 110.1 | ||
| 188 | Q | 31.2 | Very low | 36.3 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76 | 123.6 | 169.8 | -77.8 | 175.3 | -24.2 | 0 | 0 | 110.1 | ||
| 189 | Y | 38 | Very low | 36.1 | Very low | 215 Ų | 215 | 137.7 Ų | 137.7 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95 | 145.9 | 165.9 | -106.4 | -96.5 | 0 | 0 | 0 | 110.3 | ||
| 190 | P | 44.6 | Very low | 35.5 | Very low | 104 Ų | 104 | 136 Ų | 136 | 68% | 0.675 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 155.1 | 174.9 | 29.8 | -33.8 | 0 | 0 | 0 | 112.2 | ||
| 191 | P | 37.7 | Very low | 36 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 138.1 | -174.1 | 28.3 | -32.2 | 0 | 0 | 0 | 112.2 | ||
| 192 | G | 35.3 | Very low | 35.6 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 146.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 193 | N | 34.5 | Very low | 35.6 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 134 | 166.3 | -84.4 | 12.4 | 0 | 0 | 0 | 111 | ||
| 194 | S | 32.6 | Very low | 35.8 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 132.7 | 173.2 | 40.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 195 | Y | 33.7 | Very low | 35.7 | Very low | 223 Ų | 223 | 140.1 Ų | 140.1 | 88% | 0.875 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 146.6 | 162.8 | -74.8 | -88.2 | 0 | 0 | 0 | 110.1 | ||
| 196 | P | 35.9 | Very low | 35.4 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 142 | 177.3 | 33.3 | -31.7 | 0 | 0 | 0 | 112.1 | ||
| 197 | A | 31.9 | Very low | 35.8 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -97 | 144.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 198 | T | 37.5 | Very low | 35.8 | Very low | 142 Ų | 142 | 141 Ų | 141 | 87% | 0.871 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 130.4 | 173.5 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 199 | A | 33.3 | Very low | 36.4 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -173.3 | 132.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 200 | G | 33.7 | Very low | 36.4 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -79.8 | -149.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 201 | P | 45.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | cis | -127.3 | 169.2 | -22.4 | 38.9 | -23.6 | 0 | 0 | 0 | 113 | ||||
| 202 | G | 35.4 | Very low | 36.1 | Very low | 64 Ų | 64 | 134.6 Ų | 134.6 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | trans | 100 | 121.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 203 | H | 34 | Very low | 36.2 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | 168.6 | 126.2 | 125.4 | -81.5 | -58.1 | 0 | 0 | 0 | 108.7 | |||||
| 204 | Y | 35.7 | Very low | 36.2 | Very low | 226 Ų | 226 | 133.5 Ų | 133.5 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 147 | 175 | -76.8 | -101.6 | 0 | 0 | 0 | 112.3 | ||
| 205 | P | 37.3 | Very low | 37 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 136.8 | 152.2 | 28.6 | -15.9 | 0 | 0 | 0 | 111.8 | ||
| 206 | T | 31.2 | Very low | 37.2 | Very low | 139 Ų | 139 | 130 Ų | 130 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 141.7 | 178.8 | -38.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 207 | Q | 37.9 | Very low | 37.8 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71 | 150.5 | 165.9 | -66.8 | 175 | 8.7 | 0 | 0 | 111.5 | ||
| 208 | T | 36 | Very low | 38.1 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | -138.2 | 153.9 | 146.5 | 44.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 209 | P | 42.1 | Very low | 38.4 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 150.4 | -140.4 | 36.5 | -33 | 0 | 0 | 0 | 113.3 | ||
| 210 | V | 37.9 | Very low | 39.2 | Very low | 149 Ų | 149 | 136 Ų | 136 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 127.9 | 159.9 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 211 | S | 34.5 | Very low | 40.2 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.3 | -172.9 | -56.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 212 | T | 41.5 | Very low | 40.9 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 133.8 | 172.9 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 213 | V | 37.9 | Very low | 42.5 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -139.2 | 110.9 | 139.3 | -166.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 214 | G | 34.3 | Very low | 44.2 | Very low | 63 Ų | 63 | 135.1 Ų | 135.1 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | 57.3 | 118.5 | 140.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 215 | P | 51.1 | Low | 46 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -84.2 | 125.7 | 166.1 | 33.3 | -26.5 | 0 | 0 | 0 | 110.3 | ||||
| 216 | T | 37.7 | Very low | 47.8 | Very low | 141 Ų | 141 | 127 Ų | 127 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | trans | -113.3 | 110.4 | 152.9 | 47.2 | 0 | 0 | 0 | 0 | 108.4 | D218 | T216-D218 PolarHBondContact O-N 3.37Š| ||
| 217 | R | 48.8 | Very low | 50.1 | Low | 238 Ų | 238 | 128 Ų | 128 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | trans | -53 | 120.2 | 165.2 | -62.6 | 163.5 | 59.5 | 142.8 | 0.9 | 108.6 | ||||
| 218 | D | 37.8 | Very low | 52.1 | Low | 168 Ų | 168 | 122.2 Ų | 122.2 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | -177.3 | 150.6 | 123.2 | -127.1 | -20.6 | 0 | 0 | 0 | 110.6 | T216 | T216-D218 PolarHBondContact O-N 3.37Š| |||
| 219 | G | 42.8 | Very low | 54.3 | Low | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | trans | 96.5 | 99.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I221 | G219-I221 PolarHBondContact O-N 3.46Š| ||
| 220 | T | 51.3 | Low | 56.3 | Low | 135 Ų | 135 | 119.1 Ų | 119.1 | 83% | 0.828 | 69% | 0.694 | S | S | * | * | trans | -18.2 | 124.1 | 143.1 | 25.1 | 0 | 0 | 0 | 0 | 111.1 | G222 | T220-G222 VanDerWaalsContact C-N 3.34Å; T220-G222 PolarHBondContact O-N 3.25Å | ||
| 221 | I | 53 | Low | 58.7 | Low | 123 Ų | 123 | 116.5 Ų | 116.5 | 63% | 0.631 | 67% | 0.674 | S | S | * | * | trans | -45.2 | 107.7 | 169.6 | -54.7 | 174.4 | 0 | 0 | 0 | 105.8 | G219 E223 T225 I226 | G219-I221 PolarHBondContact O-N 3.46Å; I221-E223 PolarHBondContact O-N 3.5Å; I221-T225 HydrophobicContact CG2-CG2 4.44Å; I221-I226 HydrophobicContact CB-CD1 4.12Å; I221-I226 HydrophobicContact CB-CG1 4.18Å; I221-I226 HydrophobicContact CG2-CD1 3.9Å; I221-I226 HydrophobicContact CG2-CG1 3.4Å | ||
| 222 | G | 61.3 | Low | 61.2 | Low | 33 Ų | 33 | 114.2 Ų | 114.2 | 34% | 0.34 | 66% | 0.658 | S | S | . | * | trans | -58 | 139 | -174.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | T220 D224 T225 I226 | T220-G222 VanDerWaalsContact C-N 3.34Å; T220-G222 PolarHBondContact O-N 3.25Å; G222-D224 PolarHBondContact O-N 3.46Å; G222-T225 PolarHBondContact O-N 3.01Å; G222-I226 PolarHBondContact O-N 3.36Å | ||
| 223 | E | 67.6 | Low | 63.4 | Low | 167 Ų | 167 | 110.3 Ų | 110.3 | 78% | 0.78 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -48.8 | -31.1 | 177.8 | -165.1 | 174 | 172.9 | 0 | 0 | 111.1 | I221 I226 R227 | I221-E223 PolarHBondContact O-N 3.5Å; E223-I226 PolarHBondContact O-N 2.94Å; E223-R227 WeakPolarHBondContact O-CB 3.41Å; E223-R227 PolarHBondContact O-N 2.93Å |
| 224 | D | 70.2 | Confident | 65.8 | Low | 121 Ų | 121 | 107.9 Ų | 107.9 | 65% | 0.647 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.3 | -37.2 | 173.8 | -64.3 | -37.2 | 0 | 0 | 0 | 114.9 | G222 A228 | G222-D224 PolarHBondContact O-N 3.46Å; D224-A228 VanDerWaalsContact O-CB 3.26Å; D224-A228 WeakPolarHBondContact O-CB 3.34Å; D224-A228 PolarHBondContact O-N 2.87Å |
| 225 | T | 74.1 | Confident | 68.4 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.6 | -37.6 | 176.8 | -46.5 | 0 | 0 | 0 | 0 | 111.2 | I221 G222 S229 | I221-T225 HydrophobicContact CG2-CG2 4.44Å; G222-T225 PolarHBondContact O-N 3.01Å; T225-S229 WeakPolarHBondContact O-CB 3.47Å; T225-S229 PolarHBondContact O-N 3.03Å |
| 226 | I | 74.9 | Confident | 70.2 | Confident | 82 Ų | 82 | 105.3 Ų | 105.3 | 42% | 0.421 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.4 | -43.2 | 173.8 | -58.1 | 172.1 | 0 | 0 | 0 | 109.8 | I221 G222 E223 S229 L230 | I221-I226 HydrophobicContact CB-CD1 4.12Å; I221-I226 HydrophobicContact CB-CG1 4.18Å; I221-I226 HydrophobicContact CG2-CD1 3.9Å; I221-I226 HydrophobicContact CG2-CG1 3.4Å; G222-I226 PolarHBondContact O-N 3.36Å; E223-I226 PolarHBondContact O-N 2.94Å; I226-S229 PolarHBondContact O-N 3.07Å; I226-L230 HydrophobicContact CG2-CD1 3.9Å; I226-L230 HydrophobicContact CG2-CG 4.34Å; I226-L230 WeakPolarHBondContact O-CB 3.38Å; I226-L230 WeakPolarHBondContact O-CG 3.47Å; I226-L230 PolarHBondContact O-N 2.82Å |
| 227 | R | 78.7 | Confident | 72.8 | Confident | 162 Ų | 162 | 104.6 Ų | 104.6 | 61% | 0.611 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.7 | -43.5 | 176.5 | -173.5 | 177.1 | -178.1 | -175.1 | 1.7 | 111.8 | E223 L230 I231 | E223-R227 WeakPolarHBondContact O-CB 3.41Å; E223-R227 PolarHBondContact O-N 2.93Å; R227-L230 PolarHBondContact O-N 3.07Å; R227-I231 HydrophobicContact CG-CD1 3.87Å; R227-I231 HydrophobicContact CG-CG1 4.5Å; R227-I231 WeakPolarHBondContact O-CB 3.48Å; R227-I231 WeakPolarHBondContact O-CG1 3.41Å; R227-I231 PolarHBondContact O-N 3.43Å |
| 228 | A | 81.3 | Confident | 74.9 | Confident | 60 Ų | 60 | 99.1 Ų | 99.1 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.2 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | D224 I231 S232 | D224-A228 VanDerWaalsContact O-CB 3.26Å; D224-A228 WeakPolarHBondContact O-CB 3.34Å; D224-A228 PolarHBondContact O-N 2.87Å; A228-I231 PolarHBondContact O-N 3.42Å; A228-S232 WeakPolarHBondContact O-CB 3.34Å; A228-S232 PolarHBondContact O-N 2.89Å |
| 229 | S | 80.5 | Confident | 77.5 | Confident | 80 Ų | 80 | 99.7 Ų | 99.7 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.3 | -43.6 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | T225 I226 S232 A233 | T225-S229 WeakPolarHBondContact O-CB 3.47Å; T225-S229 PolarHBondContact O-N 3.03Å; I226-S229 PolarHBondContact O-N 3.07Å; S229-S232 PolarHBondContact O-N 3.12Å; S229-A233 VanDerWaalsContact O-CB 3.32Å; S229-A233 WeakPolarHBondContact O-CB 3.37Å; S229-A233 PolarHBondContact O-N 3.47Å |
| 230 | L | 85.4 | Confident | 79.8 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.6 | -41.9 | 176.1 | -73.3 | 170.1 | 0 | 0 | 0 | 111.9 | I226 R227 A233 V234 | I226-L230 HydrophobicContact CG2-CD1 3.9Å; I226-L230 HydrophobicContact CG2-CG 4.34Å; I226-L230 WeakPolarHBondContact O-CB 3.38Å; I226-L230 WeakPolarHBondContact O-CG 3.47Å; I226-L230 PolarHBondContact O-N 2.82Å; R227-L230 PolarHBondContact O-N 3.07Å; L230-A233 PolarHBondContact O-N 2.95Å; L230-V234 WeakPolarHBondContact O-CB 3.35Å; L230-V234 VanDerWaalsContact O-CG2 3.26Å; L230-V234 WeakPolarHBondContact O-CG2 3.48Å; L230-V234 PolarHBondContact O-N 3.28Å |
| 231 | I | 87.8 | Confident | 81.8 | Confident | 95 Ų | 95 | 105.9 Ų | 105.9 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 175.6 | -70.5 | 168.3 | 0 | 0 | 0 | 110.4 | R227 A228 S235 | R227-I231 HydrophobicContact CG-CD1 3.87Å; R227-I231 HydrophobicContact CG-CG1 4.5Å; R227-I231 WeakPolarHBondContact O-CB 3.48Å; R227-I231 WeakPolarHBondContact O-CG1 3.41Å; R227-I231 PolarHBondContact O-N 3.43Å; A228-I231 PolarHBondContact O-N 3.42Å; I231-S235 WeakPolarHBondContact O-CB 3.32Å; I231-S235 PolarHBondContact O-N 3.01Å; I231-S235 PolarHBondContact O-OG 3.33Å |
| 232 | S | 87.4 | Confident | 83.7 | Confident | 62 Ų | 62 | 106.6 Ų | 106.6 | 43% | 0.434 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 174.8 | -166.1 | 0 | 0 | 0 | 0 | 111 | A228 S229 V234 S235 D236 | A228-S232 WeakPolarHBondContact O-CB 3.34Å; A228-S232 PolarHBondContact O-N 2.89Å; S229-S232 PolarHBondContact O-N 3.12Å; S232-V234 PolarHBondContact O-N 2.9Å; S232-S235 PolarHBondContact O-N 3.47Å; S232-D236 WeakPolarHBondContact O-CB 3.42Å; S232-D236 VanDerWaalsContact O-CG 3.22Å; S232-D236 PolarHBondContact O-N 3.15Å; S232-D236 PolarHBondContact OG-OD2 2.76Å |
| 233 | A | 86.9 | Confident | 85.2 | Confident | 53 Ų | 53 | 110.1 Ų | 110.1 | 44% | 0.438 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.1 | -40.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S229 L230 K237 | S229-A233 VanDerWaalsContact O-CB 3.32Å; S229-A233 WeakPolarHBondContact O-CB 3.37Å; S229-A233 PolarHBondContact O-N 3.47Å; L230-A233 PolarHBondContact O-N 2.95Å; A233-K237 VanDerWaalsContact O-CB 3.25Å; A233-K237 WeakPolarHBondContact O-CB 3.33Å; A233-K237 PolarHBondContact O-N 3.16Å |
| 234 | V | 89.4 | Confident | 86.5 | Confident | 98 Ų | 98 | 107.8 Ų | 107.8 | 59% | 0.594 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.8 | -42 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L230 S232 K237 L238 | L230-V234 WeakPolarHBondContact O-CB 3.35Å; L230-V234 VanDerWaalsContact O-CG2 3.26Å; L230-V234 WeakPolarHBondContact O-CG2 3.48Å; L230-V234 PolarHBondContact O-N 3.28Å; S232-V234 PolarHBondContact O-N 2.9Å; V234-K237 PolarHBondContact O-N 3.14Å; V234-L238 WeakPolarHBondContact O-CB 3.35Å; V234-L238 PolarHBondContact O-N 3.47Å |
| 235 | S | 87.5 | Confident | 87.6 | Confident | 60 Ų | 60 | 107.5 Ų | 107.5 | 42% | 0.42 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.3 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | I231 S232 L238 R239 | I231-S235 WeakPolarHBondContact O-CB 3.32Å; I231-S235 PolarHBondContact O-N 3.01Å; I231-S235 PolarHBondContact O-OG 3.33Å; S232-S235 PolarHBondContact O-N 3.47Å; S235-L238 PolarHBondContact O-N 2.88Å; S235-R239 VanDerWaalsContact O-CB 3.32Å; S235-R239 WeakPolarHBondContact O-CB 3.49Å; S235-R239 PolarHBondContact O-N 2.9Å |
| 236 | D | 90.8 | Very high | 88.5 | Confident | 75 Ų | 75 | 108.7 Ų | 108.7 | 40% | 0.401 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 175.4 | -71 | -31.3 | 0 | 0 | 0 | 110.4 | S232 L238 R239 W240 | S232-D236 WeakPolarHBondContact O-CB 3.42Å; S232-D236 VanDerWaalsContact O-CG 3.22Å; S232-D236 PolarHBondContact O-N 3.15Å; S232-D236 PolarHBondContact OG-OD2 2.76Å; D236-L238 VanDerWaalsContact C-N 3.32Å; D236-L238 PolarHBondContact O-N 3.12Å; D236-R239 PolarHBondContact O-N 3.36Å; D236-W240 WeakPolarHBondContact O-CB 3.22Å; D236-W240 PolarHBondContact O-N 3.24Å |
| 237 | K | 92.3 | Very high | 89.4 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 176.2 | -172 | 63.8 | 175.5 | -175 | 0 | 112 | A233 V234 W240 R241 | A233-K237 VanDerWaalsContact O-CB 3.25Å; A233-K237 WeakPolarHBondContact O-CB 3.33Å; A233-K237 PolarHBondContact O-N 3.16Å; V234-K237 PolarHBondContact O-N 3.14Å; K237-W240 PolarHBondContact O-N 3.36Å; K237-R241 WeakPolarHBondContact O-CG 3.45Å; K237-R241 PolarHBondContact O-N 3.22Å |
| 238 | L | 92.6 | Very high | 90.2 | Very high | 122 Ų | 122 | 108.2 Ų | 108.2 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.1 | -43.2 | 175.5 | -175.9 | 62.9 | 0 | 0 | 0 | 110.9 | V234 S235 D236 W240 R241 M242 | V234-L238 WeakPolarHBondContact O-CB 3.35Å; V234-L238 PolarHBondContact O-N 3.47Å; S235-L238 PolarHBondContact O-N 2.88Å; D236-L238 VanDerWaalsContact C-N 3.32Å; D236-L238 PolarHBondContact O-N 3.12Å; L238-W240 PolarHBondContact O-N 2.79Å; L238-R241 PolarHBondContact O-N 3.46Å; L238-M242 VanDerWaalsContact O-CB 3.3Å; L238-M242 WeakPolarHBondContact O-CB 3.47Å; L238-M242 PolarHBondContact O-N 3.23Å |
| 239 | R | 92.1 | Very high | 90.8 | Very high | 180 Ų | 180 | 108 Ų | 108 | 68% | 0.679 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 175.7 | -173.2 | -177.5 | -65 | -82.4 | 0.9 | 111.8 | S235 D236 M242 K243 | S235-R239 VanDerWaalsContact O-CB 3.32Å; S235-R239 WeakPolarHBondContact O-CB 3.49Å; S235-R239 PolarHBondContact O-N 2.9Å; D236-R239 PolarHBondContact O-N 3.36Å; R239-M242 PolarHBondContact O-N 3.35Å; R239-K243 VanDerWaalsContact O-CB 3.27Å; R239-K243 WeakPolarHBondContact O-CB 3.47Å; R239-K243 PolarHBondContact O-N 3.04Å |
| 240 | W | 90.3 | Very high | 91.5 | Very high | 176 Ų | 176 | 108.8 Ų | 108.8 | 67% | 0.667 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -46.1 | 175.8 | -84.4 | 110 | 0 | 0 | 0 | 111.9 | D236 K237 L238 K243 E244 | D236-W240 WeakPolarHBondContact O-CB 3.22Å; D236-W240 PolarHBondContact O-N 3.24Å; K237-W240 PolarHBondContact O-N 3.36Å; L238-W240 PolarHBondContact O-N 2.79Å; W240-K243 PolarHBondContact O-N 3.49Å; W240-E244 WeakPolarHBondContact O-CB 3.42Å; W240-E244 PolarHBondContact O-N 2.99Å |
| 241 | R | 93.3 | Very high | 91.9 | Very high | 146 Ų | 146 | 106.6 Ų | 106.6 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 176.9 | -76.3 | -64.4 | -170.5 | 84 | -2.4 | 112.7 | K237 L238 K243 E244 E245 | K237-R241 WeakPolarHBondContact O-CG 3.45Å; K237-R241 PolarHBondContact O-N 3.22Å; L238-R241 PolarHBondContact O-N 3.46Å; R241-K243 VanDerWaalsContact C-N 3.34Å; R241-E244 PolarHBondContact O-N 3.48Å; R241-E245 WeakPolarHBondContact O-CG 3.25Å; R241-E245 PolarHBondContact O-N 3.26Å |
| 242 | M | 92.6 | Very high | 92.3 | Very high | 138 Ų | 138 | 107 Ų | 107 | 68% | 0.68 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.4 | -40.1 | 176.2 | -173.2 | 177.6 | -179 | 0 | 0 | 111.4 | L238 R239 M246 | L238-M242 VanDerWaalsContact O-CB 3.3Å; L238-M242 WeakPolarHBondContact O-CB 3.47Å; L238-M242 PolarHBondContact O-N 3.23Å; R239-M242 PolarHBondContact O-N 3.35Å; M242-M246 VanDerWaalsContact O-CB 3.28Å; M242-M246 WeakPolarHBondContact O-CB 3.38Å; M242-M246 PolarHBondContact O-N 3.49Å |
| 243 | K | 93.9 | Very high | 92.7 | Very high | 107 Ų | 107 | 108.7 Ų | 108.7 | 47% | 0.465 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 176 | -174.8 | 176.3 | 179 | -176 | 0 | 111.8 | R239 W240 R241 M246 D247 | R239-K243 VanDerWaalsContact O-CB 3.27Å; R239-K243 WeakPolarHBondContact O-CB 3.47Å; R239-K243 PolarHBondContact O-N 3.04Å; W240-K243 PolarHBondContact O-N 3.49Å; R241-K243 VanDerWaalsContact C-N 3.34Å; K243-M246 PolarHBondContact O-N 2.94Å; K243-D247 WeakPolarHBondContact O-CB 3.22Å; K243-D247 PolarHBondContact O-N 3.24Å |
| 244 | E | 93.8 | Very high | 93.1 | Very high | 119 Ų | 119 | 109.6 Ų | 109.6 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60 | -46.2 | 177.2 | -175.6 | 176.7 | -167.8 | 0 | 0 | 112 | W240 R241 D247 R248 | W240-E244 WeakPolarHBondContact O-CB 3.42Å; W240-E244 PolarHBondContact O-N 2.99Å; R241-E244 PolarHBondContact O-N 3.48Å; E244-D247 PolarHBondContact O-N 2.7Å; E244-R248 WeakPolarHBondContact O-CB 3.22Å; E244-R248 PolarHBondContact O-N 2.91Å |
| 245 | E | 93.2 | Very high | 93.4 | Very high | 114 Ų | 114 | 107.4 Ų | 107.4 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 175.5 | -72.7 | -63.4 | 142.7 | 0 | 0 | 112.3 | R241 R248 A249 | R241-E245 WeakPolarHBondContact O-CG 3.25Å; R241-E245 PolarHBondContact O-N 3.26Å; E245-R248 PolarHBondContact O-N 3.5Å; E245-A249 WeakPolarHBondContact O-CB 3.31Å; E245-A249 PolarHBondContact O-N 2.94Å |
| 246 | M | 93.8 | Very high | 93.8 | Very high | 118 Ų | 118 | 110.2 Ų | 110.2 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.8 | -43.9 | 176.9 | -167.2 | -179.1 | 81.2 | 0 | 0 | 111.8 | M242 K243 R248 A249 Q250 | M242-M246 VanDerWaalsContact O-CB 3.28Å; M242-M246 WeakPolarHBondContact O-CB 3.38Å; M242-M246 PolarHBondContact O-N 3.49Å; K243-M246 PolarHBondContact O-N 2.94Å; M246-R248 VanDerWaalsContact C-N 3.3Å; M246-R248 PolarHBondContact O-N 3.43Å; M246-A249 PolarHBondContact O-N 3.25Å; M246-Q250 VanDerWaalsContact O-CB 3.3Å; M246-Q250 WeakPolarHBondContact O-CB 3.49Å; M246-Q250 PolarHBondContact O-N 3.01Å |
| 247 | D | 94.1 | Very high | 94.1 | Very high | 87 Ų | 87 | 113 Ų | 113 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 177.2 | -70.8 | -16.8 | 0 | 0 | 0 | 110.5 | K243 E244 A251 | K243-D247 WeakPolarHBondContact O-CB 3.22Å; K243-D247 PolarHBondContact O-N 3.24Å; E244-D247 PolarHBondContact O-N 2.7Å; D247-A251 WeakPolarHBondContact O-CB 3.45Å; D247-A251 PolarHBondContact O-N 2.73Å |
| 248 | R | 94.8 | Very high | 94.3 | Very high | 147 Ų | 147 | 115.4 Ų | 115.4 | 56% | 0.555 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.9 | -50.2 | 173.9 | -177.9 | -178 | 176.1 | 174 | 3.6 | 112.3 | E244 E245 M246 Q250 A251 E252 | E244-R248 WeakPolarHBondContact O-CB 3.22Å; E244-R248 PolarHBondContact O-N 2.91Å; E245-R248 PolarHBondContact O-N 3.5Å; M246-R248 VanDerWaalsContact C-N 3.3Å; M246-R248 PolarHBondContact O-N 3.43Å; R248-Q250 VanDerWaalsContact C-N 3.27Å; R248-Q250 PolarHBondContact O-N 3.16Å; R248-A251 PolarHBondContact O-N 3.22Å; R248-E252 IonicContact CZ-OE1 2.9Å; R248-E252 IonicContact NE-OE1 2.65Å; R248-E252 PolarHBondContact NE-OE1 2.46Å; R248-E252 IonicContact NH2-OE1 3.16Å; R248-E252 WeakPolarHBondContact O-CG 3.17Å; R248-E252 PolarHBondContact O-N 2.86Å |
| 249 | A | 93.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 113.5 Ų | 113.5 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E245 M246 E252 L253 | E245-A249 WeakPolarHBondContact O-CB 3.31Å; E245-A249 PolarHBondContact O-N 2.94Å; M246-A249 PolarHBondContact O-N 3.25Å; A249-E252 PolarHBondContact O-N 2.89Å; A249-L253 WeakPolarHBondContact O-CB 3.43Å; A249-L253 PolarHBondContact O-N 2.98Å |
| 250 | Q | 95.2 | Very high | 94.6 | Very high | 98 Ų | 98 | 111.2 Ų | 111.2 | 46% | 0.458 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.3 | -171.4 | 62.3 | 46.4 | 0 | 0 | 111.6 | M246 R248 L253 D254 | M246-Q250 VanDerWaalsContact O-CB 3.3Å; M246-Q250 WeakPolarHBondContact O-CB 3.49Å; M246-Q250 PolarHBondContact O-N 3.01Å; R248-Q250 VanDerWaalsContact C-N 3.27Å; R248-Q250 PolarHBondContact O-N 3.16Å; Q250-L253 PolarHBondContact O-N 3.43Å; Q250-D254 PolarHBondContact NE2-OD1 2.91Å; Q250-D254 WeakPolarHBondContact O-CB 3.4Å; Q250-D254 VanDerWaalsContact O-CG 3.31Å; Q250-D254 PolarHBondContact O-N 2.89Å |
| 251 | A | 94.6 | Very high | 94.9 | Very high | 61 Ų | 61 | 107.7 Ų | 107.7 | 50% | 0.504 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D247 R248 D254 A255 | D247-A251 WeakPolarHBondContact O-CB 3.45Å; D247-A251 PolarHBondContact O-N 2.73Å; R248-A251 PolarHBondContact O-N 3.22Å; A251-D254 PolarHBondContact O-N 3.47Å; A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 2.85Å |
| 252 | E | 95.8 | Very high | 95 | Very high | 105 Ų | 105 | 105.7 Ų | 105.7 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.5 | -72.7 | 178.6 | -167.6 | 0 | 0 | 111.4 | R248 A249 A255 L256 | R248-E252 IonicContact CZ-OE1 2.9Å; R248-E252 IonicContact NE-OE1 2.65Å; R248-E252 PolarHBondContact NE-OE1 2.46Å; R248-E252 IonicContact NH2-OE1 3.16Å; R248-E252 WeakPolarHBondContact O-CG 3.17Å; R248-E252 PolarHBondContact O-N 2.86Å; A249-E252 PolarHBondContact O-N 2.89Å; E252-A255 PolarHBondContact O-N 3.23Å; E252-L256 WeakPolarHBondContact O-CG 3.31Å; E252-L256 PolarHBondContact O-N 2.84Å |
| 253 | L | 96 | Very high | 95.1 | Very high | 97 Ų | 97 | 105.4 Ų | 105.4 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 176.5 | -168.3 | 153.6 | 0 | 0 | 0 | 111.7 | A249 Q250 A255 L256 K257 | A249-L253 WeakPolarHBondContact O-CB 3.43Å; A249-L253 PolarHBondContact O-N 2.98Å; Q250-L253 PolarHBondContact O-N 3.43Å; L253-A255 VanDerWaalsContact C-N 3.32Å; L253-A255 PolarHBondContact O-N 2.95Å; L253-L256 PolarHBondContact O-N 2.76Å; L253-K257 WeakPolarHBondContact O-CB 3.35Å; L253-K257 PolarHBondContact O-N 3.38Å |
| 254 | D | 95.9 | Very high | 95.3 | Very high | 71 Ų | 71 | 106.4 Ų | 106.4 | 38% | 0.38 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 177.1 | -72.5 | -17.5 | 0 | 0 | 0 | 111.7 | Q250 A251 R258 | Q250-D254 PolarHBondContact NE2-OD1 2.91Å; Q250-D254 WeakPolarHBondContact O-CB 3.4Å; Q250-D254 VanDerWaalsContact O-CG 3.31Å; Q250-D254 PolarHBondContact O-N 2.89Å; A251-D254 PolarHBondContact O-N 3.47Å; D254-R258 WeakPolarHBondContact O-CG 3.12Å; D254-R258 PolarHBondContact O-N 2.82Å; D254-R258 VanDerWaalsContact O-N 3.15Å |
| 255 | A | 95.9 | Very high | 95.4 | Very high | 53 Ų | 53 | 105.2 Ų | 105.2 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A251 E252 L253 K257 R258 T259 | A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 2.85Å; E252-A255 PolarHBondContact O-N 3.23Å; L253-A255 VanDerWaalsContact C-N 3.32Å; L253-A255 PolarHBondContact O-N 2.95Å; A255-K257 VanDerWaalsContact C-N 3.34Å; A255-K257 PolarHBondContact O-N 3.09Å; A255-R258 PolarHBondContact O-N 2.87Å; A255-T259 WeakPolarHBondContact O-CG2 3.26Å; A255-T259 PolarHBondContact O-N 2.81Å; A255-T259 VanDerWaalsContact O-N 3.09Å |
| 256 | L | 95.8 | Very high | 95.6 | Very high | 119 Ų | 119 | 101.2 Ų | 101.2 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 177.2 | -74.1 | 172 | 0 | 0 | 0 | 111.8 | E252 L253 R258 T259 E260 | E252-L256 WeakPolarHBondContact O-CG 3.31Å; E252-L256 PolarHBondContact O-N 2.84Å; L253-L256 PolarHBondContact O-N 2.76Å; L256-R258 VanDerWaalsContact C-N 3.31Å; L256-R258 PolarHBondContact O-N 3.17Å; L256-T259 WeakPolarHBondContact CA-OG1 3.47Å; L256-T259 PolarHBondContact O-N 2.96Å; L256-T259 VanDerWaalsContact O-N 3.11Å; L256-T259 PolarHBondContact O-OG1 3.18Å; L256-E260 PolarHBondContact O-N 2.98Å |
| 257 | K | 96.6 | Very high | 95.8 | Very high | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -38 | 178.3 | -169.3 | 175.5 | -178.2 | 179.2 | 0 | 112.6 | L253 A255 E260 E261 | L253-K257 WeakPolarHBondContact O-CB 3.35Å; L253-K257 PolarHBondContact O-N 3.38Å; A255-K257 VanDerWaalsContact C-N 3.34Å; A255-K257 PolarHBondContact O-N 3.09Å; K257-E260 PolarHBondContact O-N 3.11Å; K257-E261 PolarHBondContact O-N 3.14Å |
| 258 | R | 95.5 | Very high | 95.9 | Very high | 177 Ų | 177 | 102.4 Ų | 102.4 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 172.8 | -70.8 | 174.5 | -172.2 | -171.2 | 3.7 | 111.3 | D254 A255 L256 E260 E261 D262 | D254-R258 WeakPolarHBondContact O-CG 3.12Å; D254-R258 PolarHBondContact O-N 2.82Å; D254-R258 VanDerWaalsContact O-N 3.15Å; A255-R258 PolarHBondContact O-N 2.87Å; L256-R258 VanDerWaalsContact C-N 3.31Å; L256-R258 PolarHBondContact O-N 3.17Å; R258-E260 VanDerWaalsContact C-N 3.31Å; R258-E260 PolarHBondContact O-N 3.35Å; R258-E261 PolarHBondContact O-N 2.98Å; R258-D262 PolarHBondContact O-N 3.34Å |
| 259 | T | 95.6 | Very high | 96 | Very high | 83 Ų | 83 | 101.8 Ų | 101.8 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 177.7 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | A255 L256 L263 | A255-T259 WeakPolarHBondContact O-CG2 3.26Å; A255-T259 PolarHBondContact O-N 2.81Å; A255-T259 VanDerWaalsContact O-N 3.09Å; L256-T259 WeakPolarHBondContact CA-OG1 3.47Å; L256-T259 PolarHBondContact O-N 2.96Å; L256-T259 VanDerWaalsContact O-N 3.11Å; L256-T259 PolarHBondContact O-OG1 3.18Å; T259-L263 VanDerWaalsContact O-CB 3.28Å; T259-L263 WeakPolarHBondContact O-CB 3.37Å; T259-L263 PolarHBondContact O-N 3.4Å |
| 260 | E | 95.4 | Very high | 96.1 | Very high | 131 Ų | 131 | 104 Ų | 104 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 173.9 | -173.4 | -165.2 | 163.4 | 0 | 0 | 111 | L256 K257 R258 L263 K264 | L256-E260 PolarHBondContact O-N 2.98Å; K257-E260 PolarHBondContact O-N 3.11Å; R258-E260 VanDerWaalsContact C-N 3.31Å; R258-E260 PolarHBondContact O-N 3.35Å; E260-L263 PolarHBondContact O-N 3.47Å; E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 PolarHBondContact O-N 2.98Å |
| 261 | E | 96.8 | Very high | 96.2 | Very high | 103 Ų | 103 | 104.7 Ų | 104.7 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 178.6 | -165.3 | -175.5 | 153.8 | 0 | 0 | 111.9 | K257 R258 K264 K265 | K257-E261 PolarHBondContact O-N 3.14Å; R258-E261 PolarHBondContact O-N 2.98Å; E261-K264 PolarHBondContact O-N 2.94Å; E261-K265 WeakPolarHBondContact O-CG 3.48Å; E261-K265 PolarHBondContact O-N 3.47Å; E261-K265 VanDerWaalsContact OE1-CE 3.22Å; E261-K265 WeakPolarHBondContact OE1-CE 3.41Å; E261-K265 IonicContact OE1-NZ 2.77Å; E261-K265 PolarHBondContact OE1-NZ 3.06Å |
| 262 | D | 95.5 | Very high | 96.3 | Very high | 104 Ų | 104 | 107.1 Ų | 107.1 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -40.7 | 176.2 | -73 | -19.9 | 0 | 0 | 0 | 111.5 | R258 K265 G266 | R258-D262 PolarHBondContact O-N 3.34Å; D262-K265 PolarHBondContact O-N 3.06Å; D262-G266 PolarHBondContact O-N 3.12Å |
| 263 | L | 96.2 | Very high | 96.3 | Very high | 132 Ų | 132 | 107.2 Ų | 107.2 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 175.5 | -172.3 | 63.8 | 0 | 0 | 0 | 111.5 | T259 E260 G266 H267 | T259-L263 VanDerWaalsContact O-CB 3.28Å; T259-L263 WeakPolarHBondContact O-CB 3.37Å; T259-L263 PolarHBondContact O-N 3.4Å; E260-L263 PolarHBondContact O-N 3.47Å; L263-G266 PolarHBondContact O-N 3.46Å; L263-H267 WeakPolarHBondContact O-CB 3.38Å; L263-H267 PolarHBondContact O-N 3Å |
| 264 | K | 97.1 | Very high | 96.4 | Very high | 128 Ų | 128 | 108 Ų | 108 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 176.5 | -171.7 | 174.8 | -177.2 | 175.1 | 0 | 111.9 | E260 E261 G266 H267 Q268 | E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 PolarHBondContact O-N 2.98Å; E261-K264 PolarHBondContact O-N 2.94Å; K264-G266 VanDerWaalsContact C-N 3.34Å; K264-H267 PolarHBondContact O-N 3.23Å; K264-Q268 WeakPolarHBondContact O-CG 3.36Å; K264-Q268 PolarHBondContact O-N 3.12Å |
| 265 | K | 96.7 | Very high | 96.4 | Very high | 93 Ų | 93 | 108.5 Ų | 108.5 | 40% | 0.404 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 172 | -73.4 | 170.1 | -174.7 | 160.8 | 0 | 111.3 | E261 D262 Q268 K269 | E261-K265 WeakPolarHBondContact O-CG 3.48Å; E261-K265 PolarHBondContact O-N 3.47Å; E261-K265 VanDerWaalsContact OE1-CE 3.22Å; E261-K265 WeakPolarHBondContact OE1-CE 3.41Å; E261-K265 IonicContact OE1-NZ 2.77Å; E261-K265 PolarHBondContact OE1-NZ 3.06Å; D262-K265 PolarHBondContact O-N 3.06Å; K265-Q268 PolarHBondContact O-N 3.07Å; K265-K269 WeakPolarHBondContact O-CG 3.45Å; K265-K269 PolarHBondContact O-N 3.32Å |
| 266 | G | 96.9 | Very high | 96.5 | Very high | 30 Ų | 30 | 112.4 Ų | 112.4 | 31% | 0.309 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D262 L263 K264 K269 L270 | D262-G266 PolarHBondContact O-N 3.12Å; L263-G266 PolarHBondContact O-N 3.46Å; K264-G266 VanDerWaalsContact C-N 3.34Å; G266-K269 PolarHBondContact O-N 3.24Å; G266-L270 WeakPolarHBondContact O-CG 3.46Å; G266-L270 PolarHBondContact O-N 2.64Å |
| 267 | H | 96.6 | Very high | 96.5 | Very high | 113 Ų | 113 | 112 Ų | 112 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 176.6 | 176.3 | 52.4 | 0 | 0 | 0 | 112 | L263 K264 K269 L270 E271 | L263-H267 WeakPolarHBondContact O-CB 3.38Å; L263-H267 PolarHBondContact O-N 3Å; K264-H267 PolarHBondContact O-N 3.23Å; H267-K269 VanDerWaalsContact C-N 3.31Å; H267-K269 PolarHBondContact O-N 2.94Å; H267-L270 PolarHBondContact O-N 3.16Å; H267-L270 VanDerWaalsContact O-N 3.13Å; H267-E271 IonicContact CE1-OE2 3.86Å; H267-E271 PolarHBondContact CE1-OE2 3.08Å; H267-E271 IonicContact ND1-OE2 3.18Å; H267-E271 IonicContact NE2-OE2 3.96Å; H267-E271 PolarHBondContact O-N 3.33Å |
| 268 | Q | 97 | Very high | 96.5 | Very high | 117 Ų | 117 | 110.8 Ų | 110.8 | 55% | 0.547 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 176.3 | -73.9 | 175.4 | -9.2 | 0 | 0 | 112.6 | K264 K265 E271 E272 | K264-Q268 WeakPolarHBondContact O-CG 3.36Å; K264-Q268 PolarHBondContact O-N 3.12Å; K265-Q268 PolarHBondContact O-N 3.07Å; Q268-E271 WeakPolarHBondContact O-CB 3.3Å; Q268-E271 PolarHBondContact O-N 3.47Å; Q268-E272 PolarHBondContact O-N 3.3Å |
| 269 | K | 96.7 | Very high | 96.6 | Very high | 135 Ų | 135 | 107.1 Ų | 107.1 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 175.4 | -74.1 | 177.8 | 179.1 | -177.4 | 0 | 112.4 | K265 G266 H267 E272 M273 | K265-K269 WeakPolarHBondContact O-CG 3.45Å; K265-K269 PolarHBondContact O-N 3.32Å; G266-K269 PolarHBondContact O-N 3.24Å; H267-K269 VanDerWaalsContact C-N 3.31Å; H267-K269 PolarHBondContact O-N 2.94Å; K269-E272 PolarHBondContact O-N 3.16Å; K269-M273 WeakPolarHBondContact O-CB 3.49Å; K269-M273 WeakPolarHBondContact O-CG 3.3Å; K269-M273 PolarHBondContact O-N 3.38Å |
| 270 | L | 96.3 | Very high | 96.6 | Very high | 100 Ų | 100 | 108.2 Ų | 108.2 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 176.1 | -72.6 | 167.5 | 0 | 0 | 0 | 110.8 | G266 H267 E272 M273 I274 | G266-L270 WeakPolarHBondContact O-CG 3.46Å; G266-L270 PolarHBondContact O-N 2.64Å; H267-L270 PolarHBondContact O-N 3.16Å; H267-L270 VanDerWaalsContact O-N 3.13Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.11Å; L270-M273 HydrophobicContact CD2-CE 3.81Å; L270-M273 HydrophobicContact CG-CE 4.39Å; L270-M273 PolarHBondContact O-N 3.28Å; L270-I274 WeakPolarHBondContact O-CB 3.1Å; L270-I274 VanDerWaalsContact O-CG1 3.24Å; L270-I274 WeakPolarHBondContact O-CG1 3.29Å; L270-I274 PolarHBondContact O-N 3.12Å |
| 271 | E | 97.1 | Very high | 96.7 | Very high | 113 Ų | 113 | 105.5 Ų | 105.5 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 175.4 | -155 | 87.2 | -166.1 | 0 | 0 | 111.3 | H267 Q268 I274 S275 | H267-E271 IonicContact CE1-OE2 3.86Å; H267-E271 PolarHBondContact CE1-OE2 3.08Å; H267-E271 IonicContact ND1-OE2 3.18Å; H267-E271 IonicContact NE2-OE2 3.96Å; H267-E271 PolarHBondContact O-N 3.33Å; Q268-E271 WeakPolarHBondContact O-CB 3.3Å; Q268-E271 PolarHBondContact O-N 3.47Å; E271-I274 PolarHBondContact O-N 3.18Å; E271-S275 PolarHBondContact O-N 3.2Å |
| 272 | E | 97.1 | Very high | 96.7 | Very high | 113 Ų | 113 | 102.9 Ų | 102.9 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 177.5 | -166.7 | -165.7 | 149.5 | 0 | 0 | 111.8 | Q268 K269 L270 S275 R276 | Q268-E272 PolarHBondContact O-N 3.3Å; K269-E272 PolarHBondContact O-N 3.16Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.11Å; E272-S275 PolarHBondContact O-N 3.13Å; E272-R276 WeakPolarHBondContact O-CB 3.32Å; E272-R276 PolarHBondContact O-N 2.79Å; E272-R276 IonicContact OE1-NH2 2.82Å; E272-R276 PolarHBondContact OE1-NH2 3.24Å |
| 273 | M | 96 | Very high | 96.7 | Very high | 107 Ų | 107 | 101 Ų | 101 | 53% | 0.527 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.8 | -76 | -172.8 | -68.9 | 0 | 0 | 111.9 | K269 L270 R276 L277 | K269-M273 WeakPolarHBondContact O-CB 3.49Å; K269-M273 WeakPolarHBondContact O-CG 3.3Å; K269-M273 PolarHBondContact O-N 3.38Å; L270-M273 HydrophobicContact CD2-CE 3.81Å; L270-M273 HydrophobicContact CG-CE 4.39Å; L270-M273 PolarHBondContact O-N 3.28Å; M273-R276 PolarHBondContact O-N 2.97Å; M273-L277 WeakPolarHBondContact O-CB 3.45Å; M273-L277 PolarHBondContact O-N 3.41Å |
| 274 | I | 97.1 | Very high | 96.7 | Very high | 113 Ų | 113 | 98.5 Ų | 98.5 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -47 | 176.2 | -70.8 | 165.1 | 0 | 0 | 0 | 110.1 | L270 E271 R276 L277 D278 | L270-I274 WeakPolarHBondContact O-CB 3.1Å; L270-I274 VanDerWaalsContact O-CG1 3.24Å; L270-I274 WeakPolarHBondContact O-CG1 3.29Å; L270-I274 PolarHBondContact O-N 3.12Å; E271-I274 PolarHBondContact O-N 3.18Å; I274-R276 VanDerWaalsContact C-N 3.29Å; I274-R276 PolarHBondContact O-N 3.37Å; I274-L277 PolarHBondContact O-N 3.27Å; I274-D278 PolarHBondContact O-N 2.98Å |
| 275 | S | 97.1 | Very high | 96.7 | Very high | 82 Ų | 82 | 96.9 Ų | 96.9 | 57% | 0.573 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.7 | -38.1 | 177.5 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | E271 E272 Q279 | E271-S275 PolarHBondContact O-N 3.2Å; E272-S275 PolarHBondContact O-N 3.13Å; S275-Q279 PolarHBondContact O-N 3.15Å; S275-Q279 VanDerWaalsContact O-N 3.12Å |
| 276 | R | 97.3 | Very high | 96.7 | Very high | 134 Ų | 134 | 99.3 Ų | 99.3 | 51% | 0.506 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.6 | -171.3 | -177.9 | -57 | 179 | 3.4 | 111.9 | E272 M273 I274 D278 Q279 E280 | E272-R276 WeakPolarHBondContact O-CB 3.32Å; E272-R276 PolarHBondContact O-N 2.79Å; E272-R276 IonicContact OE1-NH2 2.82Å; E272-R276 PolarHBondContact OE1-NH2 3.24Å; M273-R276 PolarHBondContact O-N 2.97Å; I274-R276 VanDerWaalsContact C-N 3.29Å; I274-R276 PolarHBondContact O-N 3.37Å; R276-D278 VanDerWaalsContact C-N 3.32Å; R276-D278 PolarHBondContact O-N 3.49Å; R276-Q279 PolarHBondContact O-N 3.02Å; R276-E280 WeakPolarHBondContact O-CG 3.2Å; R276-E280 PolarHBondContact O-N 3.14Å |
| 277 | L | 96.3 | Very high | 96.7 | Very high | 110 Ų | 110 | 102.4 Ų | 102.4 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 178.5 | -160.7 | 91.8 | 0 | 0 | 0 | 111.2 | M273 I274 Q279 E280 V281 | M273-L277 WeakPolarHBondContact O-CB 3.45Å; M273-L277 PolarHBondContact O-N 3.41Å; I274-L277 PolarHBondContact O-N 3.27Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; L277-E280 PolarHBondContact O-N 2.96Å; L277-V281 VanDerWaalsContact O-CG2 3.32Å; L277-V281 WeakPolarHBondContact O-CG2 3.46Å; L277-V281 PolarHBondContact O-N 2.87Å |
| 278 | D | 96.8 | Very high | 96.7 | Very high | 109 Ų | 109 | 100.7 Ų | 100.7 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 176.8 | -164.7 | 56.6 | 0 | 0 | 0 | 111.1 | I274 R276 E280 V281 T282 | I274-D278 PolarHBondContact O-N 2.98Å; R276-D278 VanDerWaalsContact C-N 3.32Å; R276-D278 PolarHBondContact O-N 3.49Å; D278-E280 PolarHBondContact O-N 3.1Å; D278-V281 PolarHBondContact O-N 2.85Å; D278-T282 WeakPolarHBondContact O-CG2 3.47Å; D278-T282 PolarHBondContact O-N 2.9Å |
| 279 | Q | 96.8 | Very high | 96.7 | Very high | 99 Ų | 99 | 101.9 Ų | 101.9 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 174.1 | -175.3 | 60.8 | 47.5 | 0 | 0 | 111.8 | S275 R276 L277 V281 T282 D283 | S275-Q279 PolarHBondContact O-N 3.15Å; S275-Q279 VanDerWaalsContact O-N 3.12Å; R276-Q279 PolarHBondContact O-N 3.02Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; Q279-V281 VanDerWaalsContact C-N 3.32Å; Q279-V281 PolarHBondContact O-N 2.84Å; Q279-T282 PolarHBondContact O-N 3.31Å; Q279-T282 PolarHBondContact O-OG1 2.82Å; Q279-D283 PolarHBondContact NE2-OD1 3.24Å; Q279-D283 PolarHBondContact NE2-OD2 3.33Å; Q279-D283 PolarHBondContact O-N 3.4Å |
| 280 | E | 96.1 | Very high | 96.6 | Very high | 107 Ų | 107 | 100.3 Ų | 100.3 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.9 | -75.9 | 179.3 | -170.2 | 0 | 0 | 112.2 | R276 L277 D278 D283 V284 | R276-E280 WeakPolarHBondContact O-CG 3.2Å; R276-E280 PolarHBondContact O-N 3.14Å; L277-E280 PolarHBondContact O-N 2.96Å; D278-E280 PolarHBondContact O-N 3.1Å; E280-D283 PolarHBondContact O-N 3.31Å; E280-V284 VanDerWaalsContact O-CG2 3.31Å; E280-V284 WeakPolarHBondContact O-CG2 3.04Å; E280-V284 PolarHBondContact O-N 2.88Å |
| 281 | V | 97 | Very high | 96.5 | Very high | 74 Ų | 74 | 101 Ų | 101 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 174.7 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | L277 D278 Q279 D283 V284 D285 | L277-V281 VanDerWaalsContact O-CG2 3.32Å; L277-V281 WeakPolarHBondContact O-CG2 3.46Å; L277-V281 PolarHBondContact O-N 2.87Å; D278-V281 PolarHBondContact O-N 2.85Å; Q279-V281 VanDerWaalsContact C-N 3.32Å; Q279-V281 PolarHBondContact O-N 2.84Å; V281-D283 VanDerWaalsContact C-N 3.27Å; V281-D283 PolarHBondContact O-N 3.24Å; V281-V284 PolarHBondContact O-N 2.79Å; V281-D285 PolarHBondContact O-N 2.93Å |
| 282 | T | 96.9 | Very high | 96.5 | Very high | 48 Ų | 48 | 102.4 Ų | 102.4 | 29% | 0.294 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -34.1 | 178.7 | 67.5 | 0 | 0 | 0 | 0 | 113 | D278 Q279 R286 | D278-T282 WeakPolarHBondContact O-CG2 3.47Å; D278-T282 PolarHBondContact O-N 2.9Å; Q279-T282 PolarHBondContact O-N 3.31Å; Q279-T282 PolarHBondContact O-OG1 2.82Å; T282-R286 WeakPolarHBondContact O-CG 3.43Å; T282-R286 PolarHBondContact O-N 2.91Å |
| 283 | D | 95.9 | Very high | 96.5 | Very high | 63 Ų | 63 | 103.3 Ų | 103.3 | 34% | 0.337 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.8 | -37.5 | 179 | -70.4 | -23.9 | 0 | 0 | 0 | 111.8 | Q279 E280 V281 R286 N287 | Q279-D283 PolarHBondContact NE2-OD1 3.24Å; Q279-D283 PolarHBondContact NE2-OD2 3.33Å; Q279-D283 PolarHBondContact O-N 3.4Å; E280-D283 PolarHBondContact O-N 3.31Å; V281-D283 VanDerWaalsContact C-N 3.27Å; V281-D283 PolarHBondContact O-N 3.24Å; D283-R286 PolarHBondContact O-N 2.84Å; D283-R286 IonicContact OD1-NH1 2.77Å; D283-R286 PolarHBondContact OD1-NH1 3.42Å; D283-N287 WeakPolarHBondContact O-CB 3.43Å; D283-N287 VanDerWaalsContact O-CG 3.24Å; D283-N287 PolarHBondContact O-N 2.9Å; D283-N287 PolarHBondContact O-ND2 2.76Å; D283-N287 VanDerWaalsContact O-ND2 3.1Å |
| 284 | V | 96.3 | Very high | 96.4 | Very high | 81 Ų | 81 | 103 Ų | 103 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 171.6 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | E280 V281 R286 N287 I288 | E280-V284 VanDerWaalsContact O-CG2 3.31Å; E280-V284 WeakPolarHBondContact O-CG2 3.04Å; E280-V284 PolarHBondContact O-N 2.88Å; V281-V284 PolarHBondContact O-N 2.79Å; V284-R286 PolarHBondContact O-N 2.83Å; V284-N287 WeakPolarHBondContact O-CB 3.49Å; V284-N287 PolarHBondContact O-N 3.07Å; V284-N287 VanDerWaalsContact O-N 3.15Å; V284-I288 HydrophobicContact CG1-CD1 3.83Å; V284-I288 HydrophobicContact CG1-CG1 4.38Å; V284-I288 WeakPolarHBondContact O-CG1 3.38Å; V284-I288 PolarHBondContact O-N 3.08Å |
| 285 | D | 96.8 | Very high | 96.3 | Very high | 93 Ų | 93 | 102.6 Ų | 102.6 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 177.9 | -76.8 | -24.9 | 0 | 0 | 0 | 112 | V281 N287 I288 E289 | V281-D285 PolarHBondContact O-N 2.93Å; D285-N287 VanDerWaalsContact C-N 3.33Å; D285-N287 PolarHBondContact O-N 3.49Å; D285-I288 PolarHBondContact O-N 3.46Å; D285-E289 PolarHBondContact O-N 3.37Å |
| 286 | R | 97.1 | Very high | 96.2 | Very high | 145 Ų | 145 | 105.7 Ų | 105.7 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 172.5 | -77.1 | -176.6 | -171.4 | 107.5 | 7.9 | 112.3 | T282 D283 V284 I288 E289 L290 | T282-R286 WeakPolarHBondContact O-CG 3.43Å; T282-R286 PolarHBondContact O-N 2.91Å; D283-R286 PolarHBondContact O-N 2.84Å; D283-R286 IonicContact OD1-NH1 2.77Å; D283-R286 PolarHBondContact OD1-NH1 3.42Å; V284-R286 PolarHBondContact O-N 2.83Å; R286-I288 VanDerWaalsContact C-N 3.35Å; R286-E289 PolarHBondContact O-N 3.37Å; R286-L290 WeakPolarHBondContact O-CB 3.37Å; R286-L290 PolarHBondContact O-N 2.99Å |
| 287 | N | 96 | Very high | 96.1 | Very high | 95 Ų | 95 | 103.1 Ų | 103.1 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 179 | -74.3 | -33.2 | 0 | 0 | 0 | 111.6 | D283 V284 D285 E289 L290 L291 | D283-N287 WeakPolarHBondContact O-CB 3.43Å; D283-N287 VanDerWaalsContact O-CG 3.24Å; D283-N287 PolarHBondContact O-N 2.9Å; D283-N287 PolarHBondContact O-ND2 2.76Å; D283-N287 VanDerWaalsContact O-ND2 3.1Å; V284-N287 WeakPolarHBondContact O-CB 3.49Å; V284-N287 PolarHBondContact O-N 3.07Å; V284-N287 VanDerWaalsContact O-N 3.15Å; D285-N287 VanDerWaalsContact C-N 3.33Å; D285-N287 PolarHBondContact O-N 3.49Å; N287-E289 VanDerWaalsContact C-N 3.35Å; N287-L290 PolarHBondContact O-N 2.85Å; N287-L291 WeakPolarHBondContact O-CB 3.49Å; N287-L291 VanDerWaalsContact O-CG 3.31Å; N287-L291 WeakPolarHBondContact O-CG 3.26Å; N287-L291 PolarHBondContact O-N 3.2Å |
| 288 | I | 96.8 | Very high | 95.9 | Very high | 76 Ų | 76 | 103.1 Ų | 103.1 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 174.8 | -70.4 | 167.5 | 0 | 0 | 0 | 110.3 | V284 D285 R286 L291 K292 | V284-I288 HydrophobicContact CG1-CD1 3.83Å; V284-I288 HydrophobicContact CG1-CG1 4.38Å; V284-I288 WeakPolarHBondContact O-CG1 3.38Å; V284-I288 PolarHBondContact O-N 3.08Å; D285-I288 PolarHBondContact O-N 3.46Å; R286-I288 VanDerWaalsContact C-N 3.35Å; I288-L291 PolarHBondContact O-N 2.97Å; I288-K292 HydrophobicContact CG2-CD 4.22Å; I288-K292 WeakPolarHBondContact O-CB 3.45Å; I288-K292 WeakPolarHBondContact O-CG 3.43Å; I288-K292 PolarHBondContact O-N 3.09Å |
| 289 | E | 96.8 | Very high | 95.8 | Very high | 143 Ų | 143 | 101 Ų | 101 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 178.6 | -169.4 | 173.2 | -165 | 0 | 0 | 111.9 | D285 R286 N287 K292 K293 | D285-E289 PolarHBondContact O-N 3.37Å; R286-E289 PolarHBondContact O-N 3.37Å; N287-E289 VanDerWaalsContact C-N 3.35Å; E289-K292 PolarHBondContact O-N 3.16Å; E289-K293 PolarHBondContact O-N 2.98Å |
| 290 | L | 95.8 | Very high | 95.7 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 176.3 | -175.2 | 138.1 | 0 | 0 | 0 | 112.2 | R286 N287 K293 K294 | R286-L290 WeakPolarHBondContact O-CB 3.37Å; R286-L290 PolarHBondContact O-N 2.99Å; N287-L290 PolarHBondContact O-N 2.85Å; L290-K293 PolarHBondContact O-N 2.57Å; L290-K294 HydrophobicContact CD2-CG 4.32Å; L290-K294 VanDerWaalsContact O-CG 3.3Å; L290-K294 WeakPolarHBondContact O-CG 3.28Å; L290-K294 PolarHBondContact O-N 2.81Å |
| 291 | L | 93.4 | Very high | 95.4 | Very high | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | 177 | -75.1 | 172.8 | 0 | 0 | 0 | 111.8 | N287 I288 K293 K294 D295 | N287-L291 WeakPolarHBondContact O-CB 3.49Å; N287-L291 VanDerWaalsContact O-CG 3.31Å; N287-L291 WeakPolarHBondContact O-CG 3.26Å; N287-L291 PolarHBondContact O-N 3.2Å; I288-L291 PolarHBondContact O-N 2.97Å; L291-K293 VanDerWaalsContact C-N 3.33Å; L291-K293 PolarHBondContact O-N 3.16Å; L291-K294 PolarHBondContact O-N 3.5Å; L291-K294 VanDerWaalsContact O-N 3.16Å; L291-D295 WeakPolarHBondContact O-CB 3.28Å; L291-D295 PolarHBondContact O-N 2.92Å |
| 292 | K | 96.6 | Very high | 94.9 | Very high | 142 Ų | 142 | 99.8 Ų | 99.8 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.2 | -44.2 | 174.2 | -77.6 | 178.5 | 177.5 | 180 | 0 | 111.9 | I288 E289 K294 D295 E296 | I288-K292 HydrophobicContact CG2-CD 4.22Å; I288-K292 WeakPolarHBondContact O-CB 3.45Å; I288-K292 WeakPolarHBondContact O-CG 3.43Å; I288-K292 PolarHBondContact O-N 3.09Å; E289-K292 PolarHBondContact O-N 3.16Å; K292-K294 VanDerWaalsContact C-N 3.31Å; K292-K294 PolarHBondContact O-N 3.01Å; K292-D295 PolarHBondContact O-N 3.26Å; K292-E296 PolarHBondContact O-N 2.93Å |
| 293 | K | 96.9 | Very high | 94.5 | Very high | 131 Ų | 131 | 102.8 Ų | 102.8 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 175.5 | -175.3 | 178.5 | 178 | 179.3 | 0 | 111.9 | E289 L290 L291 E296 E297 | E289-K293 PolarHBondContact O-N 2.98Å; L290-K293 PolarHBondContact O-N 2.57Å; L291-K293 VanDerWaalsContact C-N 3.33Å; L291-K293 PolarHBondContact O-N 3.16Å; K293-E296 PolarHBondContact O-N 3.47Å; K293-E297 WeakPolarHBondContact CE-OE1 3.2Å; K293-E297 WeakPolarHBondContact O-CG 3.18Å; K293-E297 PolarHBondContact O-N 2.91Å |
| 294 | K | 95.1 | Very high | 94.1 | Very high | 100 Ų | 100 | 104.8 Ų | 104.8 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 177.2 | -72.8 | -75.1 | 162.8 | -158.7 | 0 | 112.5 | L290 L291 K292 E296 E297 L298 | L290-K294 HydrophobicContact CD2-CG 4.32Å; L290-K294 VanDerWaalsContact O-CG 3.3Å; L290-K294 WeakPolarHBondContact O-CG 3.28Å; L290-K294 PolarHBondContact O-N 2.81Å; L291-K294 PolarHBondContact O-N 3.5Å; L291-K294 VanDerWaalsContact O-N 3.16Å; K292-K294 VanDerWaalsContact C-N 3.31Å; K292-K294 PolarHBondContact O-N 3.01Å; K294-E296 VanDerWaalsContact C-N 3.33Å; K294-E297 IonicContact NZ-OE2 2.7Å; K294-E297 PolarHBondContact NZ-OE2 3.26Å; K294-E297 PolarHBondContact O-N 2.74Å; K294-L298 WeakPolarHBondContact O-CB 3.41Å; K294-L298 VanDerWaalsContact O-CG 3.28Å; K294-L298 WeakPolarHBondContact O-CG 3.35Å; K294-L298 PolarHBondContact O-N 2.85Å |
| 295 | D | 93.7 | Very high | 93.2 | Very high | 106 Ų | 106 | 106.8 Ų | 106.8 | 57% | 0.567 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 176 | -160.5 | 50.2 | 0 | 0 | 0 | 111 | L291 K292 L298 T299 | L291-D295 WeakPolarHBondContact O-CB 3.28Å; L291-D295 PolarHBondContact O-N 2.92Å; K292-D295 PolarHBondContact O-N 3.26Å; D295-L298 PolarHBondContact O-N 3.24Å; D295-T299 WeakPolarHBondContact O-CB 3.31Å; D295-T299 PolarHBondContact O-N 2.96Å; D295-T299 PolarHBondContact O-OG1 2.94Å |
| 296 | E | 96.3 | Very high | 92.3 | Very high | 146 Ų | 146 | 108.9 Ų | 108.9 | 68% | 0.682 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.2 | -44.1 | 174.6 | -167.9 | 162.8 | -153.3 | 0 | 0 | 112.1 | K292 K293 K294 L298 T299 E300 | K292-E296 PolarHBondContact O-N 2.93Å; K293-E296 PolarHBondContact O-N 3.47Å; K294-E296 VanDerWaalsContact C-N 3.33Å; E296-L298 VanDerWaalsContact C-N 3.29Å; E296-L298 PolarHBondContact O-N 3.36Å; E296-T299 PolarHBondContact O-N 3.07Å; E296-E300 WeakPolarHBondContact O-CB 3.44Å; E296-E300 PolarHBondContact O-N 2.96Å |
| 297 | E | 94.9 | Very high | 91.4 | Very high | 81 Ų | 81 | 108.3 Ų | 108.3 | 38% | 0.379 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.2 | -41.5 | 173 | -76 | 172.8 | -168.4 | 0 | 0 | 111.9 | K293 K294 A301 | K293-E297 WeakPolarHBondContact CE-OE1 3.2Å; K293-E297 WeakPolarHBondContact O-CG 3.18Å; K293-E297 PolarHBondContact O-N 2.91Å; K294-E297 IonicContact NZ-OE2 2.7Å; K294-E297 PolarHBondContact NZ-OE2 3.26Å; K294-E297 PolarHBondContact O-N 2.74Å; E297-A301 WeakPolarHBondContact O-CB 3.3Å; E297-A301 PolarHBondContact O-N 3.18Å |
| 298 | L | 92.2 | Very high | 90 | Very high | 110 Ų | 110 | 109.6 Ų | 109.6 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.1 | -40.8 | 177.9 | -74.7 | 171.7 | 0 | 0 | 0 | 112 | K294 D295 E296 E300 A301 L302 | K294-L298 WeakPolarHBondContact O-CB 3.41Å; K294-L298 VanDerWaalsContact O-CG 3.28Å; K294-L298 WeakPolarHBondContact O-CG 3.35Å; K294-L298 PolarHBondContact O-N 2.85Å; D295-L298 PolarHBondContact O-N 3.24Å; E296-L298 VanDerWaalsContact C-N 3.29Å; E296-L298 PolarHBondContact O-N 3.36Å; L298-E300 VanDerWaalsContact C-N 3.35Å; L298-A301 PolarHBondContact O-N 3.38Å; L298-L302 WeakPolarHBondContact O-CB 3.44Å; L298-L302 VanDerWaalsContact O-CG 3.32Å; L298-L302 WeakPolarHBondContact O-CG 3.23Å; L298-L302 PolarHBondContact O-N 2.81Å |
| 299 | T | 94.9 | Very high | 88.2 | Confident | 64 Ų | 64 | 109.1 Ų | 109.1 | 39% | 0.393 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | D295 E296 A301 L302 E303 | D295-T299 WeakPolarHBondContact O-CB 3.31Å; D295-T299 PolarHBondContact O-N 2.96Å; D295-T299 PolarHBondContact O-OG1 2.94Å; E296-T299 PolarHBondContact O-N 3.07Å; T299-A301 VanDerWaalsContact C-N 3.33Å; T299-A301 PolarHBondContact O-N 2.65Å; T299-L302 PolarHBondContact O-N 3.49Å; T299-E303 PolarHBondContact O-N 2.8Å |
| 300 | E | 94.6 | Very high | 86.3 | Confident | 101 Ų | 101 | 111.1 Ų | 111.1 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -38.6 | 175.5 | -164.6 | -166 | 164.1 | 0 | 0 | 111.8 | E296 L298 K304 | E296-E300 WeakPolarHBondContact O-CB 3.44Å; E296-E300 PolarHBondContact O-N 2.96Å; L298-E300 VanDerWaalsContact C-N 3.35Å; E300-K304 VanDerWaalsContact CD-NZ 3.28Å; E300-K304 WeakPolarHBondContact O-CB 3.33Å; E300-K304 VanDerWaalsContact O-CG 3.26Å; E300-K304 WeakPolarHBondContact O-CG 3.4Å; E300-K304 PolarHBondContact O-N 3.16Å; E300-K304 WeakPolarHBondContact OE1-CE 3.36Å; E300-K304 IonicContact OE1-NZ 2.74Å; E300-K304 PolarHBondContact OE1-NZ 3.38Å; E300-K304 IonicContact OE2-NZ 3.19Å |
| 301 | A | 89.4 | Confident | 84.6 | Confident | 43 Ų | 43 | 113.6 Ų | 113.6 | 36% | 0.355 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.3 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E297 L298 T299 K304 M305 | E297-A301 WeakPolarHBondContact O-CB 3.3Å; E297-A301 PolarHBondContact O-N 3.18Å; L298-A301 PolarHBondContact O-N 3.38Å; T299-A301 VanDerWaalsContact C-N 3.33Å; T299-A301 PolarHBondContact O-N 2.65Å; A301-K304 PolarHBondContact O-N 2.99Å; A301-M305 VanDerWaalsContact O-CG 3.3Å; A301-M305 WeakPolarHBondContact O-CG 3.3Å; A301-M305 PolarHBondContact O-N 2.92Å |
| 302 | L | 86.1 | Confident | 82.9 | Confident | 110 Ų | 110 | 112.5 Ų | 112.5 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.1 | -46.1 | 176 | -74.5 | 171.3 | 0 | 0 | 0 | 111.4 | L298 T299 K304 M305 E306 | L298-L302 WeakPolarHBondContact O-CB 3.44Å; L298-L302 VanDerWaalsContact O-CG 3.32Å; L298-L302 WeakPolarHBondContact O-CG 3.23Å; L298-L302 PolarHBondContact O-N 2.81Å; T299-L302 PolarHBondContact O-N 3.49Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 2.98Å; L302-M305 CarbonylContact O-C 3.52Å; L302-M305 PolarHBondContact O-N 3.44Å; L302-M305 VanDerWaalsContact O-N 3.08Å; L302-E306 WeakPolarHBondContact O-CB 3.49Å; L302-E306 PolarHBondContact O-N 3.41Å |
| 303 | E | 89.2 | Confident | 81.4 | Confident | 112 Ų | 112 | 110.5 Ų | 110.5 | 52% | 0.523 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.3 | -39.4 | 175 | -74.3 | -176.7 | 178.8 | 0 | 0 | 111.6 | T299 M305 E306 N307 | T299-E303 PolarHBondContact O-N 2.8Å; E303-M305 VanDerWaalsContact C-N 3.34Å; E303-M305 PolarHBondContact O-N 3.29Å; E303-E306 PolarHBondContact O-N 2.84Å; E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.47Å; E303-N307 VanDerWaalsContact O-CG 3.24Å; E303-N307 PolarHBondContact O-N 2.89Å; E303-N307 PolarHBondContact O-ND2 3.43Å |
| 304 | K | 86.9 | Confident | 79.8 | Confident | 105 Ų | 105 | 110.4 Ų | 110.4 | 46% | 0.457 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.3 | -41 | 173.7 | -76.5 | 169.4 | -174.8 | 164.4 | 0 | 112 | E300 A301 L302 Q308 | E300-K304 VanDerWaalsContact CD-NZ 3.28Å; E300-K304 WeakPolarHBondContact O-CB 3.33Å; E300-K304 VanDerWaalsContact O-CG 3.26Å; E300-K304 WeakPolarHBondContact O-CG 3.4Å; E300-K304 PolarHBondContact O-N 3.16Å; E300-K304 WeakPolarHBondContact OE1-CE 3.36Å; E300-K304 IonicContact OE1-NZ 2.74Å; E300-K304 PolarHBondContact OE1-NZ 3.38Å; E300-K304 IonicContact OE2-NZ 3.19Å; A301-K304 PolarHBondContact O-N 2.99Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 2.98Å; K304-Q308 WeakPolarHBondContact O-CG 3.5Å; K304-Q308 PolarHBondContact O-N 3.42Å |
| 305 | M | 77.8 | Confident | 78.4 | Confident | 123 Ų | 123 | 111.6 Ų | 111.6 | 61% | 0.606 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.9 | -39.8 | 177.9 | -71.9 | 178.2 | 63 | 0 | 0 | 112.2 | A301 L302 E303 Q308 S309 | A301-M305 VanDerWaalsContact O-CG 3.3Å; A301-M305 WeakPolarHBondContact O-CG 3.3Å; A301-M305 PolarHBondContact O-N 2.92Å; L302-M305 CarbonylContact O-C 3.52Å; L302-M305 PolarHBondContact O-N 3.44Å; L302-M305 VanDerWaalsContact O-N 3.08Å; E303-M305 VanDerWaalsContact C-N 3.34Å; E303-M305 PolarHBondContact O-N 3.29Å; M305-Q308 PolarHBondContact O-N 2.94Å; M305-S309 PolarHBondContact O-N 3.44Å |
| 306 | E | 78.6 | Confident | 77.3 | Confident | 136 Ų | 136 | 111.7 Ų | 111.7 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.8 | -44.9 | 177.2 | -172.7 | 169.1 | -165.7 | 0 | 0 | 110.8 | L302 E303 Q308 S309 | L302-E306 WeakPolarHBondContact O-CB 3.49Å; L302-E306 PolarHBondContact O-N 3.41Å; E303-E306 PolarHBondContact O-N 2.84Å; E306-Q308 PolarHBondContact O-N 2.77Å; E306-S309 WeakPolarHBondContact O-CB 3.37Å; E306-S309 PolarHBondContact O-N 3.22Å; E306-S309 PolarHBondContact O-OG 2.64Å |
| 307 | N | 76.8 | Confident | 75.9 | Confident | 133 Ų | 133 | 109.7 Ų | 109.7 | 71% | 0.711 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.4 | -23 | 174 | -72.6 | -43.3 | 0 | 0 | 0 | 113.5 | E303 | E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.47Å; E303-N307 VanDerWaalsContact O-CG 3.24Å; E303-N307 PolarHBondContact O-N 2.89Å; E303-N307 PolarHBondContact O-ND2 3.43Å |
| 308 | Q | 67.7 | Low | 74.7 | Confident | 123 Ų | 123 | 112.2 Ų | 112.2 | 58% | 0.575 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -85.3 | -20.1 | 172.9 | -73.5 | 171.6 | 12 | 0 | 0 | 112.8 | K304 M305 E306 E310 N311 N312 | K304-Q308 WeakPolarHBondContact O-CG 3.5Å; K304-Q308 PolarHBondContact O-N 3.42Å; M305-Q308 PolarHBondContact O-N 2.94Å; E306-Q308 PolarHBondContact O-N 2.77Å; Q308-E310 VanDerWaalsContact C-N 3.32Å; Q308-E310 PolarHBondContact O-N 3.35Å; Q308-N311 PolarHBondContact O-N 3.01Å; Q308-N312 PolarHBondContact O-OD1 3.43Å |
| 309 | S | 57.8 | Low | 73.9 | Confident | 65 Ų | 65 | 110.1 Ų | 110.1 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.5 | -22.4 | -172.4 | 73.7 | 0 | 0 | 0 | 0 | 114.4 | M305 E306 N311 | M305-S309 PolarHBondContact O-N 3.44Å; E306-S309 WeakPolarHBondContact O-CB 3.37Å; E306-S309 PolarHBondContact O-N 3.22Å; E306-S309 PolarHBondContact O-OG 2.64Å; S309-N311 PolarHBondContact O-N 3.34Å |
| 310 | E | 58.5 | Low | 73.3 | Confident | 185 Ų | 185 | 108.8 Ų | 108.8 | 86% | 0.864 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -12.6 | 174.8 | -68.1 | -166.6 | 159.9 | 0 | 0 | 113.6 | Q308 | Q308-E310 VanDerWaalsContact C-N 3.32Å; Q308-E310 PolarHBondContact O-N 3.35Å |
| 311 | N | 58.6 | Low | 72.7 | Confident | 155 Ų | 155 | 111.3 Ų | 111.3 | 83% | 0.829 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | 6.2 | -178.5 | -95.6 | -26.4 | 0 | 0 | 0 | 114.4 | Q308 S309 D313 | Q308-N311 PolarHBondContact O-N 3.01Å; S309-N311 PolarHBondContact O-N 3.34Å; N311-D313 PolarHBondContact O-N 3.38Å |
| 312 | N | 57.5 | Low | 72.6 | Confident | 92 Ų | 92 | 110.8 Ų | 110.8 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | trans | -83.2 | 106.9 | -177 | -72.2 | -22.2 | 0 | 0 | 0 | 110.4 | Q308 I314 | Q308-N312 PolarHBondContact O-OD1 3.43Å; N312-I314 PolarHBondContact O-N 2.97Å | ||
| 313 | D | 66.3 | Low | 72.6 | Confident | 99 Ų | 99 | 111 Ų | 111 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | trans | -54.4 | 135 | 166 | -161.8 | -15.5 | 0 | 0 | 0 | 109 | N311 D315 D316 | N311-D313 PolarHBondContact O-N 3.38Å; D313-D315 PolarHBondContact O-N 3.01Å; D313-D316 PolarHBondContact O-N 3.38Å | ||
| 314 | I | 62.8 | Low | 72.6 | Confident | 129 Ų | 129 | 108 Ų | 108 | 66% | 0.662 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -57.1 | -29.4 | -176.7 | -65.3 | 169.1 | 0 | 0 | 0 | 110.1 | N312 D316 V317 | N312-I314 PolarHBondContact O-N 2.97Å; I314-D316 VanDerWaalsContact C-N 3.27Å; I314-D316 PolarHBondContact O-N 3.4Å; I314-V317 PolarHBondContact O-N 2.88Å |
| 315 | D | 66.2 | Low | 72.7 | Confident | 126 Ų | 126 | 108 Ų | 108 | 67% | 0.674 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.8 | -19.7 | 178.7 | -71.1 | -14.6 | 0 | 0 | 0 | 113.9 | D313 | D313-D315 PolarHBondContact O-N 3.01Å |
| 316 | D | 69.6 | Low | 73.2 | Confident | 107 Ų | 107 | 105.8 Ų | 105.8 | 57% | 0.572 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -91.4 | -11.8 | 175.2 | -84 | -24.9 | 0 | 0 | 0 | 113.3 | D313 I314 V319 | D313-D316 PolarHBondContact O-N 3.38Å; I314-D316 VanDerWaalsContact C-N 3.27Å; I314-D316 PolarHBondContact O-N 3.4Å; D316-V319 WeakPolarHBondContact O-CG2 3.47Å |
| 317 | V | 67.3 | Low | 73.8 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -80.7 | -32.3 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | I314 | I314-V317 PolarHBondContact O-N 2.88Å |
| 318 | I | 69.1 | Low | 74.4 | Confident | 134 Ų | 134 | 97.9 Ų | 97.9 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -111.6 | 73.7 | -176.6 | -50.6 | 179.7 | 0 | 0 | 0 | 109.8 | ||
| 319 | V | 75.4 | Confident | 75.5 | Confident | 65 Ų | 65 | 96 Ų | 96 | 39% | 0.394 | 52% | 0.52 | S | S | . | . | trans | -102.3 | 136.2 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | D316 K326 | D316-V319 WeakPolarHBondContact O-CG2 3.47Å; V319-K326 HydrophobicContact CG1-CB 4.49Å; V319-K326 HydrophobicContact CG1-CD 3.73Å; V319-K326 HydrophobicContact CG1-CG 4.25Å | ||
| 320 | P | 82.3 | Confident | 77.1 | Confident | 37 Ų | 37 | 96.7 Ų | 96.7 | 24% | 0.24 | 52% | 0.518 | C | S | . | . | trans | -59.3 | 147.7 | 172.6 | -26.6 | 37 | 0 | 0 | 0 | 112.8 | A322 Y325 K326 L329 | P320-A322 PolarHBondContact O-N 2.9Å; P320-Y325 VanDerWaalsContact CB-CB 3.49Å; P320-K326 HydrophobicContact CG-CB 4.43Å; P320-L329 HydrophobicContact CG-CB 4.3Å; P320-L329 HydrophobicContact CG-CD2 3.7Å | ||
| 321 | T | 83.5 | Confident | 78.7 | Confident | 153 Ų | 153 | 88.4 Ų | 88.4 | 94% | 0.939 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -57.4 | -22 | -172.5 | -44.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 322 | A | 85.7 | Confident | 80.2 | Confident | 32 Ų | 32 | 86.4 Ų | 86.4 | 26% | 0.264 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -131.6 | 149.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P320 L324 Y325 K326 | P320-A322 PolarHBondContact O-N 2.9Å; A322-L324 PolarHBondContact O-N 2.93Å; A322-L324 VanDerWaalsContact O-N 3.14Å; A322-Y325 HydrophobicContact CB-CD2 3.51Å; A322-Y325 HydrophobicContact CB-CE2 3.91Å; A322-Y325 HydrophobicContact CB-CG 4.48Å; A322-Y325 PolarHBondContact O-N 3.31Å; A322-K326 PolarHBondContact O-N 3.46Å; A322-K326 VanDerWaalsContact O-N 3.11Å |
| 323 | P | 87.8 | Confident | 81.9 | Confident | 115 Ų | 115 | 84.6 Ų | 84.6 | 75% | 0.747 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -55.1 | -34.3 | 178.4 | -26 | 33.8 | 0 | 0 | 0 | 113.6 | K326 Q327 | P323-K326 WeakPolarHBondContact O-CB 3.31Å; P323-K326 PolarHBondContact O-N 3.46Å; P323-Q327 PolarHBondContact O-N 3.29Å |
| 324 | L | 88.4 | Confident | 83.2 | Confident | 49 Ų | 49 | 83.8 Ų | 83.8 | 26% | 0.257 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 177.5 | -176.2 | 60.7 | 0 | 0 | 0 | 112.2 | A322 Q327 I328 A380 T383 A384 | A322-L324 PolarHBondContact O-N 2.93Å; A322-L324 VanDerWaalsContact O-N 3.14Å; L324-Q327 WeakPolarHBondContact O-CB 3.32Å; L324-Q327 PolarHBondContact O-N 3.15Å; L324-I328 HydrophobicContact CG-CD1 4.48Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 2.9Å; L324-A380 HydrophobicContact CD1-CB 4.14Å; L324-T383 HydrophobicContact CD2-CG2 4.15Å; L324-A384 HydrophobicContact CD2-CB 3.64Å; L324-A384 HydrophobicContact CG-CB 4.22Å |
| 325 | Y | 88.4 | Confident | 84.7 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 41% | 0.412 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.5 | -36.1 | 175.7 | -61.8 | -56.9 | 0 | 0 | 0 | 111.6 | P320 A322 Q327 I328 L329 A384 L386 | P320-Y325 VanDerWaalsContact CB-CB 3.49Å; A322-Y325 HydrophobicContact CB-CD2 3.51Å; A322-Y325 HydrophobicContact CB-CE2 3.91Å; A322-Y325 HydrophobicContact CB-CG 4.48Å; A322-Y325 PolarHBondContact O-N 3.31Å; Y325-Q327 VanDerWaalsContact C-N 3.3Å; Y325-Q327 PolarHBondContact O-N 3.27Å; Y325-I328 HydrophobicContact CD1-CD1 4.39Å; Y325-I328 PolarHBondContact O-N 3.07Å; Y325-L329 WeakPolarHBondContact O-CB 3.45Å; Y325-L329 PolarHBondContact O-N 3.29Å; Y325-A384 HydrophobicContact CE1-CB 4.13Å; Y325-L386 HydrophobicContact CD1-CD1 4.46Å; Y325-L386 HydrophobicContact CE1-CD1 4.11Å |
| 326 | K | 89.3 | Confident | 85.9 | Confident | 77 Ų | 77 | 74.2 Ų | 74.2 | 34% | 0.335 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 170.7 | -171.1 | 177 | -170.9 | 162.7 | 0 | 110.9 | V319 P320 A322 P323 I328 L329 N330 | V319-K326 HydrophobicContact CG1-CB 4.49Å; V319-K326 HydrophobicContact CG1-CD 3.73Å; V319-K326 HydrophobicContact CG1-CG 4.25Å; P320-K326 HydrophobicContact CG-CB 4.43Å; A322-K326 PolarHBondContact O-N 3.46Å; A322-K326 VanDerWaalsContact O-N 3.11Å; P323-K326 WeakPolarHBondContact O-CB 3.31Å; P323-K326 PolarHBondContact O-N 3.46Å; K326-I328 PolarHBondContact O-N 3.44Å; K326-L329 PolarHBondContact O-N 2.99Å; K326-N330 PolarHBondContact O-N 3.48Å |
| 327 | Q | 90.5 | Very high | 87.2 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 40% | 0.397 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 175.7 | -171.8 | 178.9 | 11.5 | 0 | 0 | 112 | P323 L324 Y325 L329 N330 L331 | P323-Q327 PolarHBondContact O-N 3.29Å; L324-Q327 WeakPolarHBondContact O-CB 3.32Å; L324-Q327 PolarHBondContact O-N 3.15Å; Y325-Q327 VanDerWaalsContact C-N 3.3Å; Y325-Q327 PolarHBondContact O-N 3.27Å; Q327-L329 PolarHBondContact O-N 3.1Å; Q327-N330 PolarHBondContact O-N 3.28Å; Q327-L331 HydrophobicContact CG-CD1 3.98Å; Q327-L331 HydrophobicContact CG-CG 4.42Å; Q327-L331 WeakPolarHBondContact O-CB 3.42Å; Q327-L331 WeakPolarHBondContact O-CG 3.4Å; Q327-L331 PolarHBondContact O-N 2.92Å |
| 328 | I | 90.3 | Very high | 88.5 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 9% | 0.087 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 178.1 | -67.9 | 166 | 0 | 0 | 0 | 111.2 | L324 Y325 K326 L331 Y332 A380 R381 A384 L386 | L324-I328 HydrophobicContact CG-CD1 4.48Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 2.9Å; Y325-I328 HydrophobicContact CD1-CD1 4.39Å; Y325-I328 PolarHBondContact O-N 3.07Å; K326-I328 PolarHBondContact O-N 3.44Å; I328-L331 PolarHBondContact O-N 3.05Å; I328-Y332 WeakPolarHBondContact O-CB 3.47Å; I328-Y332 PolarHBondContact O-N 3.48Å; I328-A380 HydrophobicContact CD1-CB 4.34Å; I328-A380 HydrophobicContact CG1-CB 3.73Å; I328-R381 HydrophobicContact CD1-CG 4.13Å; I328-R381 HydrophobicContact CG1-CG 4.41Å; I328-R381 HydrophobicContact CG2-CG 4.25Å; I328-A384 HydrophobicContact CD1-CB 3.98Å; I328-L386 HydrophobicContact CD1-CD1 3.97Å |
| 329 | L | 90 | Very high | 89.7 | Confident | 84 Ų | 84 | 64.2 Ų | 64.2 | 44% | 0.44 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 179 | -179.4 | 63.1 | 0 | 0 | 0 | 111.5 | P320 Y325 K326 Q327 L331 Y332 A333 | P320-L329 HydrophobicContact CG-CB 4.3Å; P320-L329 HydrophobicContact CG-CD2 3.7Å; Y325-L329 WeakPolarHBondContact O-CB 3.45Å; Y325-L329 PolarHBondContact O-N 3.29Å; K326-L329 PolarHBondContact O-N 2.99Å; Q327-L329 PolarHBondContact O-N 3.1Å; L329-L331 PolarHBondContact O-N 3.3Å; L329-Y332 PolarHBondContact O-N 2.91Å; L329-A333 WeakPolarHBondContact O-CB 3.38Å; L329-A333 PolarHBondContact O-N 3.41Å |
| 330 | N | 90.6 | Very high | 90.7 | Very high | 79 Ų | 79 | 65.7 Ų | 65.7 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 179.3 | -71.3 | -0 | 0 | 0 | 0 | 112 | K326 Q327 Y332 A333 E334 | K326-N330 PolarHBondContact O-N 3.48Å; Q327-N330 PolarHBondContact O-N 3.28Å; N330-Y332 VanDerWaalsContact C-N 3.3Å; N330-Y332 PolarHBondContact O-N 2.93Å; N330-A333 PolarHBondContact O-N 3.2Å; N330-E334 WeakPolarHBondContact O-CB 3.37Å; N330-E334 PolarHBondContact O-N 2.91Å |
| 331 | L | 93 | Very high | 91.3 | Very high | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 176.8 | -69.1 | 171 | 0 | 0 | 0 | 111.9 | Q327 I328 L329 E335 L373 L376 M377 | Q327-L331 HydrophobicContact CG-CD1 3.98Å; Q327-L331 HydrophobicContact CG-CG 4.42Å; Q327-L331 WeakPolarHBondContact O-CB 3.42Å; Q327-L331 WeakPolarHBondContact O-CG 3.4Å; Q327-L331 PolarHBondContact O-N 2.92Å; I328-L331 PolarHBondContact O-N 3.05Å; L329-L331 PolarHBondContact O-N 3.3Å; L331-E335 VanDerWaalsContact O-CB 3.3Å; L331-E335 WeakPolarHBondContact O-CB 3.24Å; L331-E335 PolarHBondContact O-N 2.75Å; L331-E335 VanDerWaalsContact O-N 3.11Å; L331-L373 HydrophobicContact CD2-CD2 3.48Å; L331-L373 VanDerWaalsContact CD2-CD2 3.48Å; L331-L376 HydrophobicContact CD1-CB 4.24Å; L331-L376 HydrophobicContact CD1-CD2 4.06Å; L331-L376 HydrophobicContact CD1-CG 3.78Å; L331-L376 HydrophobicContact CD2-CB 4.48Å; L331-L376 HydrophobicContact CD2-CD2 3.73Å; L331-L376 HydrophobicContact CD2-CG 4.25Å; L331-M377 HydrophobicContact CB-CB 4.27Å; L331-M377 HydrophobicContact CD1-CB 4.33Å |
| 332 | Y | 91.2 | Very high | 91.8 | Very high | 112 Ų | 112 | 61.7 Ų | 61.7 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 176.5 | -174.6 | -105.8 | 0 | 0 | 0 | 111.6 | I328 L329 N330 E335 N336 M377 | I328-Y332 WeakPolarHBondContact O-CB 3.47Å; I328-Y332 PolarHBondContact O-N 3.48Å; L329-Y332 PolarHBondContact O-N 2.91Å; N330-Y332 VanDerWaalsContact C-N 3.3Å; N330-Y332 PolarHBondContact O-N 2.93Å; Y332-E335 PolarHBondContact O-N 3.18Å; Y332-N336 WeakPolarHBondContact CD1-ND2 3.37Å; Y332-N336 WeakPolarHBondContact CE1-ND2 3.47Å; Y332-N336 VanDerWaalsContact CZ-ND2 3.3Å; Y332-N336 PolarHBondContact O-N 3.44Å; Y332-N336 VanDerWaalsContact O-N 3.09Å; Y332-N336 PolarHBondContact O-ND2 3.41Å; Y332-M377 HydrophobicContact CD2-SD 4.02Å |
| 333 | A | 91.6 | Very high | 92.3 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L329 N330 E335 N336 A337 | L329-A333 WeakPolarHBondContact O-CB 3.38Å; L329-A333 PolarHBondContact O-N 3.41Å; N330-A333 PolarHBondContact O-N 3.2Å; A333-E335 VanDerWaalsContact C-N 3.28Å; A333-E335 PolarHBondContact O-N 2.9Å; A333-N336 PolarHBondContact O-N 3.26Å; A333-A337 WeakPolarHBondContact O-CB 3.44Å; A333-A337 PolarHBondContact O-N 3.38Å |
| 334 | E | 93.6 | Very high | 92.7 | Very high | 81 Ų | 81 | 67.2 Ų | 67.2 | 38% | 0.379 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 176.3 | -78.6 | -165.8 | -131.7 | 0 | 0 | 112.7 | N330 I338 K369 L373 | N330-E334 WeakPolarHBondContact O-CB 3.37Å; N330-E334 PolarHBondContact O-N 2.91Å; E334-I338 WeakPolarHBondContact O-CG1 3.28Å; E334-I338 PolarHBondContact O-N 3.39Å; E334-I338 VanDerWaalsContact O-N 3.14Å; E334-K369 WeakPolarHBondContact OE2-CE 3.5Å; E334-K369 IonicContact OE2-NZ 2.95Å; E334-K369 PolarHBondContact OE2-NZ 3Å; E334-L373 HydrophobicContact CB-CD1 3.74Å; E334-L373 HydrophobicContact CB-CD2 4.34Å |
| 335 | E | 94.5 | Very high | 93 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.028 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.2 | -45.4 | -180 | -163.8 | -84.5 | 155.1 | 0 | 0 | 111.7 | L331 Y332 A333 A337 I338 E339 Q370 L373 R374 | L331-E335 VanDerWaalsContact O-CB 3.3Å; L331-E335 WeakPolarHBondContact O-CB 3.24Å; L331-E335 PolarHBondContact O-N 2.75Å; L331-E335 VanDerWaalsContact O-N 3.11Å; Y332-E335 PolarHBondContact O-N 3.18Å; A333-E335 VanDerWaalsContact C-N 3.28Å; A333-E335 PolarHBondContact O-N 2.9Å; E335-A337 VanDerWaalsContact C-N 3.33Å; E335-A337 PolarHBondContact O-N 3.35Å; E335-I338 WeakPolarHBondContact O-CB 3.41Å; E335-I338 PolarHBondContact O-N 3.26Å; E335-E339 PolarHBondContact O-N 3.12Å; E335-Q370 HydrophobicContact CG-CG 4.02Å; E335-Q370 WeakPolarHBondContact OE1-CG 3.48Å; E335-Q370 PolarHBondContact OE1-NE2 2.8Å; E335-L373 HydrophobicContact CB-CD1 4.49Å; E335-R374 HydrophobicContact CG-CG 3.97Å; E335-R374 IonicContact OE1-CZ 2.77Å; E335-R374 IonicContact OE1-NE 2.9Å; E335-R374 PolarHBondContact OE1-NE 3.23Å; E335-R374 IonicContact OE1-NH2 3.03Å; E335-R374 PolarHBondContact OE1-NH2 2.81Å |
| 336 | N | 92.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 173.6 | -71.3 | -75.3 | 0 | 0 | 0 | 111.7 | Y332 A333 I338 E339 D340 | Y332-N336 WeakPolarHBondContact CD1-ND2 3.37Å; Y332-N336 WeakPolarHBondContact CE1-ND2 3.47Å; Y332-N336 VanDerWaalsContact CZ-ND2 3.3Å; Y332-N336 PolarHBondContact O-N 3.44Å; Y332-N336 VanDerWaalsContact O-N 3.09Å; Y332-N336 PolarHBondContact O-ND2 3.41Å; A333-N336 PolarHBondContact O-N 3.26Å; N336-I338 PolarHBondContact O-N 2.86Å; N336-E339 WeakPolarHBondContact O-CB 3.34Å; N336-E339 PolarHBondContact O-N 2.94Å; N336-E339 VanDerWaalsContact O-N 3.07Å; N336-D340 PolarHBondContact O-N 3.45Å |
| 337 | A | 95.4 | Very high | 93.4 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.6 | -32.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A333 E335 T341 | A333-A337 WeakPolarHBondContact O-CB 3.44Å; A333-A337 PolarHBondContact O-N 3.38Å; E335-A337 VanDerWaalsContact C-N 3.33Å; E335-A337 PolarHBondContact O-N 3.35Å; A337-T341 WeakPolarHBondContact O-CB 3.22Å; A337-T341 PolarHBondContact O-N 2.95Å; A337-T341 PolarHBondContact O-OG1 3.13Å |
| 338 | I | 95.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.7 | -42 | 173.4 | -70.1 | 171.4 | 0 | 0 | 0 | 111.2 | E334 E335 N336 D340 T341 I342 L366 K369 Q370 L373 | E334-I338 WeakPolarHBondContact O-CG1 3.28Å; E334-I338 PolarHBondContact O-N 3.39Å; E334-I338 VanDerWaalsContact O-N 3.14Å; E335-I338 WeakPolarHBondContact O-CB 3.41Å; E335-I338 PolarHBondContact O-N 3.26Å; N336-I338 PolarHBondContact O-N 2.86Å; I338-D340 VanDerWaalsContact C-N 3.34Å; I338-D340 PolarHBondContact O-N 2.97Å; I338-T341 PolarHBondContact O-N 3.11Å; I338-I342 HydrophobicContact CG2-CD1 3.81Å; I338-I342 HydrophobicContact CG2-CG1 4.3Å; I338-I342 WeakPolarHBondContact O-CG1 3.48Å; I338-I342 PolarHBondContact O-N 3.35Å; I338-L366 HydrophobicContact CG1-CD2 4.28Å; I338-L366 HydrophobicContact CG2-CB 3.92Å; I338-L366 HydrophobicContact CG2-CD2 4.3Å; I338-K369 HydrophobicContact CD1-CB 3.95Å; I338-K369 HydrophobicContact CD1-CD 3.83Å; I338-K369 HydrophobicContact CD1-CG 3.79Å; I338-Q370 HydrophobicContact CD1-CB 4.38Å; I338-Q370 HydrophobicContact CG2-CB 4.06Å; I338-Q370 HydrophobicContact CG2-CG 4.45Å; I338-L373 HydrophobicContact CD1-CD1 3.53Å |
| 339 | E | 93.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 59.7 Ų | 59.7 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 176.8 | -68.8 | -164.5 | 160.7 | 0 | 0 | 111.4 | E335 N336 T341 I342 F343 Q370 R374 | E335-E339 PolarHBondContact O-N 3.12Å; N336-E339 WeakPolarHBondContact O-CB 3.34Å; N336-E339 PolarHBondContact O-N 2.94Å; N336-E339 VanDerWaalsContact O-N 3.07Å; E339-T341 VanDerWaalsContact C-N 3.34Å; E339-T341 PolarHBondContact O-N 2.89Å; E339-I342 PolarHBondContact O-N 3.41Å; E339-F343 PolarHBondContact O-N 3.4Å; E339-Q370 PolarHBondContact OE1-NE2 3.29Å; E339-R374 IonicContact OE1-NH2 3.23Å; E339-R374 PolarHBondContact OE1-NH2 2.89Å |
| 340 | D | 96.3 | Very high | 93.9 | Very high | 97 Ų | 97 | 64.3 Ų | 64.3 | 52% | 0.519 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.1 | -72.2 | -18.8 | 0 | 0 | 0 | 111.7 | N336 I338 I342 F343 Y344 | N336-D340 PolarHBondContact O-N 3.45Å; I338-D340 VanDerWaalsContact C-N 3.34Å; I338-D340 PolarHBondContact O-N 2.97Å; D340-I342 VanDerWaalsContact C-N 3.35Å; D340-I342 PolarHBondContact O-N 2.86Å; D340-F343 WeakPolarHBondContact O-CB 3.39Å; D340-F343 PolarHBondContact O-N 2.93Å; D340-Y344 WeakPolarHBondContact O-CD2 3.36Å; D340-Y344 PolarHBondContact O-N 3.3Å |
| 341 | T | 95.5 | Very high | 94.1 | Very high | 65 Ų | 65 | 69.2 Ų | 69.2 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.3 | A337 I338 E339 F343 Y344 L345 L366 | A337-T341 WeakPolarHBondContact O-CB 3.22Å; A337-T341 PolarHBondContact O-N 2.95Å; A337-T341 PolarHBondContact O-OG1 3.13Å; I338-T341 PolarHBondContact O-N 3.11Å; E339-T341 VanDerWaalsContact C-N 3.34Å; E339-T341 PolarHBondContact O-N 2.89Å; T341-F343 VanDerWaalsContact C-N 3.32Å; T341-F343 PolarHBondContact O-N 3.4Å; T341-Y344 PolarHBondContact O-N 3.21Å; T341-L345 HydrophobicContact CG2-CD1 4.08Å; T341-L345 HydrophobicContact CG2-CG 4.42Å; T341-L345 WeakPolarHBondContact O-CB 3.34Å; T341-L345 VanDerWaalsContact O-CG 3.22Å; T341-L345 WeakPolarHBondContact O-CG 3.49Å; T341-L345 PolarHBondContact O-N 3.47Å; T341-L366 HydrophobicContact CG2-CD1 3.63Å |
| 342 | I | 94.3 | Very high | 94.1 | Very high | 40 Ų | 40 | 71.7 Ų | 71.7 | 21% | 0.205 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 176.7 | -69.1 | 171 | 0 | 0 | 0 | 110.4 | I338 E339 D340 L345 G346 V363 L366 | I338-I342 HydrophobicContact CG2-CD1 3.81Å; I338-I342 HydrophobicContact CG2-CG1 4.3Å; I338-I342 WeakPolarHBondContact O-CG1 3.48Å; I338-I342 PolarHBondContact O-N 3.35Å; E339-I342 PolarHBondContact O-N 3.41Å; D340-I342 VanDerWaalsContact C-N 3.35Å; D340-I342 PolarHBondContact O-N 2.86Å; I342-L345 PolarHBondContact O-N 3.02Å; I342-G346 PolarHBondContact O-N 3Å; I342-V363 HydrophobicContact CG2-CG2 4.45Å; I342-L366 HydrophobicContact CD1-CB 4.04Å; I342-L366 HydrophobicContact CG1-CB 3.99Å; I342-L366 HydrophobicContact CG1-CD1 3.92Å |
| 343 | F | 95.4 | Very high | 94.3 | Very high | 116 Ų | 116 | 71.6 Ų | 71.6 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.8 | -51.6 | 176.4 | 176.2 | -91.1 | 0 | 0 | 0 | 111.7 | E339 D340 T341 L345 G346 E347 | E339-F343 PolarHBondContact O-N 3.4Å; D340-F343 WeakPolarHBondContact O-CB 3.39Å; D340-F343 PolarHBondContact O-N 2.93Å; T341-F343 VanDerWaalsContact C-N 3.32Å; T341-F343 PolarHBondContact O-N 3.4Å; F343-L345 PolarHBondContact O-N 2.82Å; F343-G346 PolarHBondContact O-N 2.96Å; F343-G346 VanDerWaalsContact O-N 3.13Å; F343-E347 PolarHBondContact O-N 2.68Å |
| 344 | Y | 95.8 | Very high | 94.4 | Very high | 147 Ų | 147 | 70.8 Ų | 70.8 | 58% | 0.576 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69 | -33 | 179.7 | -75.1 | -65.6 | 0 | 0 | 0 | 113.1 | D340 T341 G346 E347 A348 | D340-Y344 WeakPolarHBondContact O-CD2 3.36Å; D340-Y344 PolarHBondContact O-N 3.3Å; T341-Y344 PolarHBondContact O-N 3.21Å; Y344-G346 VanDerWaalsContact C-N 3.29Å; Y344-G346 PolarHBondContact O-N 3.05Å; Y344-E347 PolarHBondContact O-N 3.11Å; Y344-A348 WeakPolarHBondContact O-CB 3.43Å; Y344-A348 PolarHBondContact O-N 3.43Å |
| 345 | L | 94.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 72.8 Ų | 72.8 | 18% | 0.183 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 169.7 | -77.4 | 171.3 | 0 | 0 | 0 | 111.3 | T341 I342 F343 E347 A348 L349 I354 F359 H362 L366 | T341-L345 HydrophobicContact CG2-CD1 4.08Å; T341-L345 HydrophobicContact CG2-CG 4.42Å; T341-L345 WeakPolarHBondContact O-CB 3.34Å; T341-L345 VanDerWaalsContact O-CG 3.22Å; T341-L345 WeakPolarHBondContact O-CG 3.49Å; T341-L345 PolarHBondContact O-N 3.47Å; I342-L345 PolarHBondContact O-N 3.02Å; F343-L345 PolarHBondContact O-N 2.82Å; L345-E347 VanDerWaalsContact C-N 3.3Å; L345-E347 PolarHBondContact O-N 3.09Å; L345-A348 PolarHBondContact O-N 3.43Å; L345-L349 PolarHBondContact O-N 2.87Å; L345-I354 HydrophobicContact CD2-CD1 4.02Å; L345-I354 WeakPolarHBondContact O-CD1 3.36Å; L345-F359 HydrophobicContact CB-CD2 4.04Å; L345-F359 HydrophobicContact CB-CE2 4.09Å; L345-H362 HydrophobicContact CD1-CB 3.99Å; L345-L366 HydrophobicContact CD1-CD1 3.5Å |
| 346 | G | 93.1 | Very high | 94.3 | Very high | 16 Ų | 16 | 77.5 Ų | 77.5 | 17% | 0.165 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I342 F343 Y344 R350 | I342-G346 PolarHBondContact O-N 3Å; F343-G346 PolarHBondContact O-N 2.96Å; F343-G346 VanDerWaalsContact O-N 3.13Å; Y344-G346 VanDerWaalsContact C-N 3.29Å; Y344-G346 PolarHBondContact O-N 3.05Å; G346-R350 PolarHBondContact O-N 2.92Å |
| 347 | E | 93.9 | Very high | 94.4 | Very high | 48 Ų | 48 | 83.2 Ų | 83.2 | 22% | 0.224 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 174.1 | -160.1 | -178.2 | 165.9 | 0 | 0 | 112.9 | F343 Y344 L345 L349 R350 R351 | F343-E347 PolarHBondContact O-N 2.68Å; Y344-E347 PolarHBondContact O-N 3.11Å; L345-E347 VanDerWaalsContact C-N 3.3Å; L345-E347 PolarHBondContact O-N 3.09Å; E347-L349 VanDerWaalsContact C-N 3.29Å; E347-L349 PolarHBondContact O-N 3.34Å; E347-R350 PolarHBondContact O-N 2.91Å; E347-R350 VanDerWaalsContact O-N 3.17Å; E347-R351 WeakPolarHBondContact O-CG 3.37Å; E347-R351 PolarHBondContact O-N 3.33Å; E347-R351 IonicContact OE1-CZ 3.9Å; E347-R351 VanDerWaalsContact OE1-CZ 3.23Å; E347-R351 IonicContact OE1-NE 3.49Å; E347-R351 PolarHBondContact OE1-NE 2.85Å; E347-R351 IonicContact OE1-NH2 2.67Å; E347-R351 PolarHBondContact OE1-NH2 3.18Å |
| 348 | A | 94.2 | Very high | 94.3 | Very high | 24 Ų | 24 | 83.9 Ų | 83.9 | 20% | 0.198 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y344 L345 R351 G352 V353 I354 | Y344-A348 WeakPolarHBondContact O-CB 3.43Å; Y344-A348 PolarHBondContact O-N 3.43Å; L345-A348 PolarHBondContact O-N 3.43Å; A348-R351 PolarHBondContact O-N 2.93Å; A348-G352 PolarHBondContact O-N 2.92Å; A348-V353 HydrophobicContact CB-CB 4.39Å; A348-V353 PolarHBondContact O-N 3.34Å; A348-I354 HydrophobicContact CB-CD1 3.93Å; A348-I354 HydrophobicContact CB-CG1 3.94Å; A348-I354 HydrophobicContact CB-CG2 4.36Å |
| 349 | L | 93.7 | Very high | 94.3 | Very high | 52 Ų | 52 | 85.2 Ų | 85.2 | 27% | 0.272 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 173.9 | -179.8 | 67.4 | 0 | 0 | 0 | 111.3 | L345 E347 R351 G352 I354 L356 F359 | L345-L349 PolarHBondContact O-N 2.87Å; E347-L349 VanDerWaalsContact C-N 3.29Å; E347-L349 PolarHBondContact O-N 3.34Å; L349-R351 VanDerWaalsContact C-N 3.25Å; L349-R351 PolarHBondContact O-N 2.7Å; L349-G352 PolarHBondContact O-N 3.32Å; L349-I354 HydrophobicContact CB-CD1 4.34Å; L349-I354 HydrophobicContact CB-CG1 4.1Å; L349-I354 WeakPolarHBondContact CD1-O 3.38Å; L349-L356 HydrophobicContact CD1-CB 4.39Å; L349-L356 HydrophobicContact CD2-CD1 4.11Å; L349-F359 HydrophobicContact CB-CD2 4.27Å; L349-F359 HydrophobicContact CB-CG 4.36Å; L349-F359 HydrophobicContact CD1-CB 4.29Å; L349-F359 HydrophobicContact CD2-CB 4.27Å; L349-F359 HydrophobicContact CD2-CD1 3.64Å; L349-F359 HydrophobicContact CD2-CD2 4.3Å; L349-F359 HydrophobicContact CD2-CE1 3.97Å; L349-F359 HydrophobicContact CD2-CG 3.81Å; L349-F359 HydrophobicContact CD2-CZ 4.44Å |
| 350 | R | 93.4 | Very high | 94.3 | Very high | 181 Ų | 181 | 86.1 Ų | 86.1 | 68% | 0.683 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.4 | -33.5 | 177.6 | -77.3 | -174.3 | -70.1 | -129.2 | -1.9 | 113 | G346 E347 G352 | G346-R350 PolarHBondContact O-N 2.92Å; E347-R350 PolarHBondContact O-N 2.91Å; E347-R350 VanDerWaalsContact O-N 3.17Å; R350-G352 VanDerWaalsContact C-N 3.29Å |
| 351 | R | 94.8 | Very high | 94.3 | Very high | 182 Ų | 182 | 88.2 Ų | 88.2 | 69% | 0.687 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.3 | 177.5 | -66.8 | 176.5 | -178.8 | -126.8 | 6.3 | 113.3 | E347 A348 L349 V353 | E347-R351 WeakPolarHBondContact O-CG 3.37Å; E347-R351 PolarHBondContact O-N 3.33Å; E347-R351 IonicContact OE1-CZ 3.9Å; E347-R351 VanDerWaalsContact OE1-CZ 3.23Å; E347-R351 IonicContact OE1-NE 3.49Å; E347-R351 PolarHBondContact OE1-NE 2.85Å; E347-R351 IonicContact OE1-NH2 2.67Å; E347-R351 PolarHBondContact OE1-NH2 3.18Å; A348-R351 PolarHBondContact O-N 2.93Å; L349-R351 VanDerWaalsContact C-N 3.25Å; L349-R351 PolarHBondContact O-N 2.7Å; R351-V353 VanDerWaalsContact C-N 3.27Å; R351-V353 HydrophobicContact CB-CG2 4.02Å; R351-V353 PolarHBondContact O-N 3.44Å |
| 352 | G | 92.8 | Very high | 94.2 | Very high | 64 Ų | 64 | 89 Ų | 89 | 66% | 0.66 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 19.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A348 L349 R350 | A348-G352 PolarHBondContact O-N 2.92Å; L349-G352 PolarHBondContact O-N 3.32Å; R350-G352 VanDerWaalsContact C-N 3.29Å |
| 353 | V | 94.7 | Very high | 94.3 | Very high | 110 Ų | 110 | 88.5 Ų | 88.5 | 67% | 0.667 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -78.6 | -29 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | A348 R351 | A348-V353 HydrophobicContact CB-CB 4.39Å; A348-V353 PolarHBondContact O-N 3.34Å; R351-V353 VanDerWaalsContact C-N 3.27Å; R351-V353 HydrophobicContact CB-CG2 4.02Å; R351-V353 PolarHBondContact O-N 3.44Å |
| 354 | I | 94.6 | Very high | 94.3 | Very high | 38 Ų | 38 | 90.8 Ų | 90.8 | 20% | 0.195 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -127.9 | 146.7 | 178.6 | 62.9 | 173.9 | 0 | 0 | 0 | 111 | L345 A348 L349 F359 | L345-I354 HydrophobicContact CD2-CD1 4.02Å; L345-I354 WeakPolarHBondContact O-CD1 3.36Å; A348-I354 HydrophobicContact CB-CD1 3.93Å; A348-I354 HydrophobicContact CB-CG1 3.94Å; A348-I354 HydrophobicContact CB-CG2 4.36Å; L349-I354 HydrophobicContact CB-CD1 4.34Å; L349-I354 HydrophobicContact CB-CG1 4.1Å; L349-I354 WeakPolarHBondContact CD1-O 3.38Å; I354-F359 HydrophobicContact CD1-CB 3.93Å; I354-F359 HydrophobicContact CD1-CD2 4.15Å |
| 355 | D | 94.3 | Very high | 94.3 | Very high | 123 Ų | 123 | 88.2 Ų | 88.2 | 66% | 0.658 | 44% | 0.441 | S | S | * | . | trans | -76.1 | 154.6 | 175.2 | -65.6 | -43.5 | 0 | 0 | 0 | 112.2 | E357 V358 F359 | D355-E357 VanDerWaalsContact C-N 3.25Å; D355-E357 PolarHBondContact O-N 2.89Å; D355-V358 HydrophobicContact CB-CG2 4.38Å; D355-V358 PolarHBondContact O-N 3.37Å; D355-V358 VanDerWaalsContact O-N 3.15Å; D355-F359 PolarHBondContact O-N 3.26Å | ||
| 356 | L | 92.5 | Very high | 94.4 | Very high | 105 Ų | 105 | 88.1 Ų | 88.1 | 55% | 0.55 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.7 | -39.1 | 179.6 | 179.1 | 62.8 | 0 | 0 | 0 | 112.5 | L349 F359 L360 | L349-L356 HydrophobicContact CD1-CB 4.39Å; L349-L356 HydrophobicContact CD2-CD1 4.11Å; L356-F359 HydrophobicContact CD1-CD1 4.37Å; L356-F359 PolarHBondContact O-N 2.97Å; L356-L360 HydrophobicContact CD1-CD1 4.14Å; L356-L360 HydrophobicContact CD1-CG 4.09Å; L356-L360 HydrophobicContact CG-CD1 4.04Å; L356-L360 HydrophobicContact CG-CG 4.39Å; L356-L360 WeakPolarHBondContact O-CB 3.37Å; L356-L360 WeakPolarHBondContact O-CG 3.34Å; L356-L360 PolarHBondContact O-N 3.04Å |
| 357 | E | 93.7 | Very high | 94.5 | Very high | 168 Ų | 168 | 89.7 Ų | 89.7 | 79% | 0.785 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65 | -42.3 | -179.9 | -169.8 | 177.3 | 176.7 | 0 | 0 | 111.7 | D355 K361 | D355-E357 VanDerWaalsContact C-N 3.25Å; D355-E357 PolarHBondContact O-N 2.89Å; E357-K361 WeakPolarHBondContact O-CB 3.47Å; E357-K361 PolarHBondContact O-N 3.24Å; E357-K361 VanDerWaalsContact O-N 3.08Å |
| 358 | V | 93.9 | Very high | 94.5 | Very high | 63 Ų | 63 | 94 Ų | 94 | 38% | 0.382 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 176.8 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | D355 K361 H362 | D355-V358 HydrophobicContact CB-CG2 4.38Å; D355-V358 PolarHBondContact O-N 3.37Å; D355-V358 VanDerWaalsContact O-N 3.15Å; V358-K361 PolarHBondContact O-N 2.96Å; V358-H362 PolarHBondContact O-CD2 2.94Å; V358-H362 VanDerWaalsContact O-CD2 3.22Å; V358-H362 PolarHBondContact O-N 3.38Å |
| 359 | F | 94.4 | Very high | 94.6 | Very high | 35 Ų | 35 | 97.2 Ų | 97.2 | 15% | 0.154 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -56.3 | -52.8 | 175.7 | 171.9 | -102.6 | 0 | 0 | 0 | 112.2 | L345 L349 I354 D355 L356 K361 H362 V363 | L345-F359 HydrophobicContact CB-CD2 4.04Å; L345-F359 HydrophobicContact CB-CE2 4.09Å; L349-F359 HydrophobicContact CB-CD2 4.27Å; L349-F359 HydrophobicContact CB-CG 4.36Å; L349-F359 HydrophobicContact CD1-CB 4.29Å; L349-F359 HydrophobicContact CD2-CB 4.27Å; L349-F359 HydrophobicContact CD2-CD1 3.64Å; L349-F359 HydrophobicContact CD2-CD2 4.3Å; L349-F359 HydrophobicContact CD2-CE1 3.97Å; L349-F359 HydrophobicContact CD2-CG 3.81Å; L349-F359 HydrophobicContact CD2-CZ 4.44Å; I354-F359 HydrophobicContact CD1-CB 3.93Å; I354-F359 HydrophobicContact CD1-CD2 4.15Å; D355-F359 PolarHBondContact O-N 3.26Å; L356-F359 HydrophobicContact CD1-CD1 4.37Å; L356-F359 PolarHBondContact O-N 2.97Å; F359-K361 VanDerWaalsContact C-N 3.3Å; F359-K361 PolarHBondContact O-N 3.5Å; F359-H362 PolarHBondContact O-N 2.91Å; F359-V363 HydrophobicContact CD1-CG2 4.39Å; F359-V363 HydrophobicContact CD2-CG2 3.81Å; F359-V363 HydrophobicContact CE1-CG2 4.07Å; F359-V363 HydrophobicContact CE2-CG2 3.4Å; F359-V363 VanDerWaalsContact CE2-CG2 3.4Å; F359-V363 HydrophobicContact CG-CG2 4.29Å; F359-V363 HydrophobicContact CZ-CG2 3.57Å; F359-V363 WeakPolarHBondContact O-CB 3.49Å; F359-V363 WeakPolarHBondContact O-CG2 3.44Å; F359-V363 PolarHBondContact O-N 3.33Å |
| 360 | L | 94.4 | Very high | 94.6 | Very high | 100 Ų | 100 | 96.1 Ų | 96.1 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | -178.1 | -71.9 | 175.7 | 0 | 0 | 0 | 112.4 | L356 R364 | L356-L360 HydrophobicContact CD1-CD1 4.14Å; L356-L360 HydrophobicContact CD1-CG 4.09Å; L356-L360 HydrophobicContact CG-CD1 4.04Å; L356-L360 HydrophobicContact CG-CG 4.39Å; L356-L360 WeakPolarHBondContact O-CB 3.37Å; L356-L360 WeakPolarHBondContact O-CG 3.34Å; L356-L360 PolarHBondContact O-N 3.04Å; L360-R364 VanDerWaalsContact O-CB 3.22Å; L360-R364 WeakPolarHBondContact O-CB 3.35Å; L360-R364 PolarHBondContact O-N 3.15Å |
| 361 | K | 95.8 | Very high | 94.7 | Very high | 141 Ų | 141 | 94.8 Ų | 94.8 | 61% | 0.613 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.1 | -48.8 | 175.7 | -174.6 | -179.9 | 178.9 | -177.9 | 0 | 111.4 | E357 V358 F359 L365 | E357-K361 WeakPolarHBondContact O-CB 3.47Å; E357-K361 PolarHBondContact O-N 3.24Å; E357-K361 VanDerWaalsContact O-N 3.08Å; V358-K361 PolarHBondContact O-N 2.96Å; F359-K361 VanDerWaalsContact C-N 3.3Å; F359-K361 PolarHBondContact O-N 3.5Å; K361-L365 HydrophobicContact CG-CD1 4.36Å; K361-L365 WeakPolarHBondContact O-CG 3.3Å; K361-L365 PolarHBondContact O-N 3.21Å; K361-L365 VanDerWaalsContact O-N 3.13Å |
| 362 | H | 94.9 | Very high | 94.7 | Very high | 82 Ų | 82 | 92.6 Ų | 92.6 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.2 | -41.8 | -178.1 | -77.8 | -71.8 | 0 | 0 | 0 | 112.8 | L345 V358 F359 R364 L365 L366 | L345-H362 HydrophobicContact CD1-CB 3.99Å; V358-H362 PolarHBondContact O-CD2 2.94Å; V358-H362 VanDerWaalsContact O-CD2 3.22Å; V358-H362 PolarHBondContact O-N 3.38Å; F359-H362 PolarHBondContact O-N 2.91Å; H362-R364 VanDerWaalsContact C-N 3.33Å; H362-R364 PolarHBondContact O-N 3.48Å; H362-L365 PolarHBondContact O-N 3Å; H362-L366 WeakPolarHBondContact O-CB 3.25Å; H362-L366 WeakPolarHBondContact O-CG 3.3Å; H362-L366 PolarHBondContact O-N 3.47Å |
| 363 | V | 95.8 | Very high | 94.7 | Very high | 29 Ų | 29 | 90.2 Ų | 90.2 | 18% | 0.176 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | I342 F359 L365 L366 S367 | I342-V363 HydrophobicContact CG2-CG2 4.45Å; F359-V363 HydrophobicContact CD1-CG2 4.39Å; F359-V363 HydrophobicContact CD2-CG2 3.81Å; F359-V363 HydrophobicContact CE1-CG2 4.07Å; F359-V363 HydrophobicContact CE2-CG2 3.4Å; F359-V363 VanDerWaalsContact CE2-CG2 3.4Å; F359-V363 HydrophobicContact CG-CG2 4.29Å; F359-V363 HydrophobicContact CZ-CG2 3.57Å; F359-V363 WeakPolarHBondContact O-CB 3.49Å; F359-V363 WeakPolarHBondContact O-CG2 3.44Å; F359-V363 PolarHBondContact O-N 3.33Å; V363-L365 VanDerWaalsContact C-N 3.32Å; V363-L365 PolarHBondContact O-N 3.43Å; V363-L366 PolarHBondContact O-N 2.91Å; V363-S367 WeakPolarHBondContact O-CB 3.38Å; V363-S367 PolarHBondContact O-N 3.43Å; V363-S367 PolarHBondContact O-OG 3.47Å |
| 364 | R | 95.5 | Very high | 94.6 | Very high | 163 Ų | 163 | 88.6 Ų | 88.6 | 62% | 0.615 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.9 | -39.4 | 177.6 | -176.1 | 177.4 | 179.7 | 137.8 | -0.7 | 112.8 | L360 H362 R368 | L360-R364 VanDerWaalsContact O-CB 3.22Å; L360-R364 WeakPolarHBondContact O-CB 3.35Å; L360-R364 PolarHBondContact O-N 3.15Å; H362-R364 VanDerWaalsContact C-N 3.33Å; H362-R364 PolarHBondContact O-N 3.48Å; R364-R368 VanDerWaalsContact O-CG 3.31Å; R364-R368 WeakPolarHBondContact O-CG 3.39Å; R364-R368 PolarHBondContact O-N 2.97Å |
| 365 | L | 96.2 | Very high | 94.5 | Very high | 93 Ų | 93 | 89 Ų | 89 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 176.7 | -74.3 | 168.8 | 0 | 0 | 0 | 111.3 | K361 H362 V363 R368 K369 | K361-L365 HydrophobicContact CG-CD1 4.36Å; K361-L365 WeakPolarHBondContact O-CG 3.3Å; K361-L365 PolarHBondContact O-N 3.21Å; K361-L365 VanDerWaalsContact O-N 3.13Å; H362-L365 PolarHBondContact O-N 3Å; V363-L365 VanDerWaalsContact C-N 3.32Å; V363-L365 PolarHBondContact O-N 3.43Å; L365-R368 WeakPolarHBondContact O-CB 3.28Å; L365-R368 PolarHBondContact O-N 3.39Å; L365-K369 PolarHBondContact O-N 2.89Å; L365-K369 VanDerWaalsContact O-N 3.08Å |
| 366 | L | 95.6 | Very high | 94.4 | Very high | 33 Ų | 33 | 86.8 Ų | 86.8 | 17% | 0.173 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 179.2 | -73.6 | 172.9 | 0 | 0 | 0 | 112 | I338 T341 I342 L345 H362 V363 R368 K369 Q370 | I338-L366 HydrophobicContact CG1-CD2 4.28Å; I338-L366 HydrophobicContact CG2-CB 3.92Å; I338-L366 HydrophobicContact CG2-CD2 4.3Å; T341-L366 HydrophobicContact CG2-CD1 3.63Å; I342-L366 HydrophobicContact CD1-CB 4.04Å; I342-L366 HydrophobicContact CG1-CB 3.99Å; I342-L366 HydrophobicContact CG1-CD1 3.92Å; L345-L366 HydrophobicContact CD1-CD1 3.5Å; H362-L366 WeakPolarHBondContact O-CB 3.25Å; H362-L366 WeakPolarHBondContact O-CG 3.3Å; H362-L366 PolarHBondContact O-N 3.47Å; V363-L366 PolarHBondContact O-N 2.91Å; L366-R368 VanDerWaalsContact C-N 3.28Å; L366-R368 PolarHBondContact O-N 3.26Å; L366-K369 CarbonylContact O-C 3.6Å; L366-K369 PolarHBondContact O-N 3.44Å; L366-K369 VanDerWaalsContact O-N 3.1Å; L366-Q370 WeakPolarHBondContact O-CB 3.27Å; L366-Q370 PolarHBondContact O-N 3.07Å |
| 367 | S | 94.7 | Very high | 94.4 | Very high | 49 Ų | 49 | 82 Ų | 82 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.1 | -34.3 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 112.6 | V363 F371 | V363-S367 WeakPolarHBondContact O-CB 3.38Å; V363-S367 PolarHBondContact O-N 3.43Å; V363-S367 PolarHBondContact O-OG 3.47Å; S367-F371 WeakPolarHBondContact O-CB 3.45Å; S367-F371 PolarHBondContact O-N 2.85Å |
| 368 | R | 95.6 | Very high | 94.3 | Very high | 138 Ų | 138 | 77.9 Ų | 77.9 | 52% | 0.521 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 172.6 | -76.4 | 172.3 | 173.6 | -171.7 | -5.6 | 111.7 | R364 L365 L366 F371 Q372 | R364-R368 VanDerWaalsContact O-CG 3.31Å; R364-R368 WeakPolarHBondContact O-CG 3.39Å; R364-R368 PolarHBondContact O-N 2.97Å; L365-R368 WeakPolarHBondContact O-CB 3.28Å; L365-R368 PolarHBondContact O-N 3.39Å; L366-R368 VanDerWaalsContact C-N 3.28Å; L366-R368 PolarHBondContact O-N 3.26Å; R368-F371 PolarHBondContact O-N 3.42Å; R368-Q372 WeakPolarHBondContact O-CG 3.34Å; R368-Q372 PolarHBondContact O-N 3.34Å; R368-Q372 VanDerWaalsContact O-N 3.16Å |
| 369 | K | 95.1 | Very high | 94.1 | Very high | 92 Ų | 92 | 82 Ų | 82 | 40% | 0.4 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.6 | -170.2 | -177.7 | 178.1 | -158.3 | 0 | 110.7 | E334 I338 L365 L366 F371 Q372 L373 | E334-K369 WeakPolarHBondContact OE2-CE 3.5Å; E334-K369 IonicContact OE2-NZ 2.95Å; E334-K369 PolarHBondContact OE2-NZ 3Å; I338-K369 HydrophobicContact CD1-CB 3.95Å; I338-K369 HydrophobicContact CD1-CD 3.83Å; I338-K369 HydrophobicContact CD1-CG 3.79Å; L365-K369 PolarHBondContact O-N 2.89Å; L365-K369 VanDerWaalsContact O-N 3.08Å; L366-K369 CarbonylContact O-C 3.6Å; L366-K369 PolarHBondContact O-N 3.44Å; L366-K369 VanDerWaalsContact O-N 3.1Å; K369-F371 VanDerWaalsContact C-N 3.33Å; K369-F371 PolarHBondContact O-N 3.44Å; K369-Q372 PolarHBondContact O-N 3Å; K369-Q372 VanDerWaalsContact O-N 3.16Å; K369-L373 HydrophobicContact CG-CD1 4.28Å; K369-L373 HydrophobicContact CG-CG 4.5Å; K369-L373 WeakPolarHBondContact O-CG 3.19Å; K369-L373 PolarHBondContact O-N 3.35Å |
| 370 | Q | 94.5 | Very high | 93.9 | Very high | 29 Ų | 29 | 80.6 Ų | 80.6 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.5 | -46 | 175.8 | -167.2 | -175.8 | 23.7 | 0 | 0 | 111.6 | E335 I338 E339 L366 Q372 L373 R374 | E335-Q370 HydrophobicContact CG-CG 4.02Å; E335-Q370 WeakPolarHBondContact OE1-CG 3.48Å; E335-Q370 PolarHBondContact OE1-NE2 2.8Å; I338-Q370 HydrophobicContact CD1-CB 4.38Å; I338-Q370 HydrophobicContact CG2-CB 4.06Å; I338-Q370 HydrophobicContact CG2-CG 4.45Å; E339-Q370 PolarHBondContact OE1-NE2 3.29Å; L366-Q370 WeakPolarHBondContact O-CB 3.27Å; L366-Q370 PolarHBondContact O-N 3.07Å; Q370-Q372 PolarHBondContact O-N 2.92Å; Q370-L373 PolarHBondContact O-N 3.26Å; Q370-R374 WeakPolarHBondContact O-CB 3.26Å; Q370-R374 WeakPolarHBondContact O-CG 3.35Å; Q370-R374 PolarHBondContact O-N 2.95Å |
| 371 | F | 94.4 | Very high | 93.6 | Very high | 153 Ų | 153 | 77.8 Ų | 77.8 | 67% | 0.671 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.5 | -45.1 | 176.5 | 178.2 | -96.2 | 0 | 0 | 0 | 112.3 | S367 R368 K369 R374 A375 | S367-F371 WeakPolarHBondContact O-CB 3.45Å; S367-F371 PolarHBondContact O-N 2.85Å; R368-F371 PolarHBondContact O-N 3.42Å; K369-F371 VanDerWaalsContact C-N 3.33Å; K369-F371 PolarHBondContact O-N 3.44Å; F371-R374 PolarHBondContact O-N 3.48Å; F371-A375 WeakPolarHBondContact O-CB 3.32Å; F371-A375 PolarHBondContact O-N 2.87Å |
| 372 | Q | 94.3 | Very high | 93.3 | Very high | 137 Ų | 137 | 78.8 Ų | 78.8 | 64% | 0.64 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 177.6 | -71.3 | 176.8 | -14.9 | 0 | 0 | 112.1 | R368 K369 Q370 A375 L376 | R368-Q372 WeakPolarHBondContact O-CG 3.34Å; R368-Q372 PolarHBondContact O-N 3.34Å; R368-Q372 VanDerWaalsContact O-N 3.16Å; K369-Q372 PolarHBondContact O-N 3Å; K369-Q372 VanDerWaalsContact O-N 3.16Å; Q370-Q372 PolarHBondContact O-N 2.92Å; Q372-A375 PolarHBondContact O-N 3.48Å; Q372-L376 WeakPolarHBondContact O-CB 3.4Å; Q372-L376 PolarHBondContact O-N 3.31Å |
| 373 | L | 94.3 | Very high | 93 | Very high | 14 Ų | 14 | 79.9 Ų | 79.9 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 176.7 | -69.7 | 172.9 | 0 | 0 | 0 | 111.6 | L331 E334 E335 I338 K369 Q370 A375 L376 M377 | L331-L373 HydrophobicContact CD2-CD2 3.48Å; L331-L373 VanDerWaalsContact CD2-CD2 3.48Å; E334-L373 HydrophobicContact CB-CD1 3.74Å; E334-L373 HydrophobicContact CB-CD2 4.34Å; E335-L373 HydrophobicContact CB-CD1 4.49Å; I338-L373 HydrophobicContact CD1-CD1 3.53Å; K369-L373 HydrophobicContact CG-CD1 4.28Å; K369-L373 HydrophobicContact CG-CG 4.5Å; K369-L373 WeakPolarHBondContact O-CG 3.19Å; K369-L373 PolarHBondContact O-N 3.35Å; Q370-L373 PolarHBondContact O-N 3.26Å; L373-A375 PolarHBondContact O-N 2.91Å; L373-L376 PolarHBondContact O-N 3.48Å; L373-M377 VanDerWaalsContact O-CB 3.26Å; L373-M377 WeakPolarHBondContact O-CB 3.32Å; L373-M377 PolarHBondContact O-N 2.84Å |
| 374 | R | 92.1 | Very high | 92.5 | Very high | 76 Ų | 76 | 79.5 Ų | 79.5 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.8 | -73.8 | -176.3 | 177.7 | -160.5 | -1.4 | 112.1 | E335 E339 Q370 F371 L376 M377 Q378 | E335-R374 HydrophobicContact CG-CG 3.97Å; E335-R374 IonicContact OE1-CZ 2.77Å; E335-R374 IonicContact OE1-NE 2.9Å; E335-R374 PolarHBondContact OE1-NE 3.23Å; E335-R374 IonicContact OE1-NH2 3.03Å; E335-R374 PolarHBondContact OE1-NH2 2.81Å; E339-R374 IonicContact OE1-NH2 3.23Å; E339-R374 PolarHBondContact OE1-NH2 2.89Å; Q370-R374 WeakPolarHBondContact O-CB 3.26Å; Q370-R374 WeakPolarHBondContact O-CG 3.35Å; Q370-R374 PolarHBondContact O-N 2.95Å; F371-R374 PolarHBondContact O-N 3.48Å; R374-L376 PolarHBondContact O-N 3.22Å; R374-M377 PolarHBondContact O-N 2.87Å; R374-Q378 WeakPolarHBondContact O-CG 3.45Å; R374-Q378 PolarHBondContact O-N 3.35Å |
| 375 | A | 92.9 | Very high | 92 | Very high | 47 Ų | 47 | 75.1 Ų | 75.1 | 39% | 0.388 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F371 Q372 L373 K379 | F371-A375 WeakPolarHBondContact O-CB 3.32Å; F371-A375 PolarHBondContact O-N 2.87Å; Q372-A375 PolarHBondContact O-N 3.48Å; L373-A375 PolarHBondContact O-N 2.91Å; A375-K379 PolarHBondContact O-N 2.86Å; A375-K379 VanDerWaalsContact O-N 3.15Å |
| 376 | L | 92.7 | Very high | 91.4 | Very high | 76 Ų | 76 | 74.1 Ų | 74.1 | 40% | 0.398 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 177.7 | -173.8 | 59.5 | 0 | 0 | 0 | 111.8 | L331 Q372 L373 R374 K379 A380 | L331-L376 HydrophobicContact CD1-CB 4.24Å; L331-L376 HydrophobicContact CD1-CD2 4.06Å; L331-L376 HydrophobicContact CD1-CG 3.78Å; L331-L376 HydrophobicContact CD2-CB 4.48Å; L331-L376 HydrophobicContact CD2-CD2 3.73Å; L331-L376 HydrophobicContact CD2-CG 4.25Å; Q372-L376 WeakPolarHBondContact O-CB 3.4Å; Q372-L376 PolarHBondContact O-N 3.31Å; L373-L376 PolarHBondContact O-N 3.48Å; R374-L376 PolarHBondContact O-N 3.22Å; L376-K379 PolarHBondContact O-N 3.19Å; L376-A380 WeakPolarHBondContact O-CB 3.21Å; L376-A380 PolarHBondContact O-N 3.42Å |
| 377 | M | 92.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.02 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.1 | -178.3 | 176.2 | 62.1 | 0 | 0 | 111.6 | L331 Y332 L373 R374 K379 A380 R381 L389 | L331-M377 HydrophobicContact CB-CB 4.27Å; L331-M377 HydrophobicContact CD1-CB 4.33Å; Y332-M377 HydrophobicContact CD2-SD 4.02Å; L373-M377 VanDerWaalsContact O-CB 3.26Å; L373-M377 WeakPolarHBondContact O-CB 3.32Å; L373-M377 PolarHBondContact O-N 2.84Å; R374-M377 PolarHBondContact O-N 2.87Å; M377-K379 VanDerWaalsContact C-N 3.34Å; M377-K379 PolarHBondContact O-N 3.39Å; M377-A380 PolarHBondContact O-N 2.81Å; M377-R381 HydrophobicContact CG-CG 4.42Å; M377-R381 WeakPolarHBondContact O-CB 3.39Å; M377-R381 VanDerWaalsContact O-CG 3.31Å; M377-R381 WeakPolarHBondContact O-CG 3.14Å; M377-R381 PolarHBondContact O-N 3.41Å; M377-L389 HydrophobicContact CE-CD2 4.24Å |
| 378 | Q | 90.1 | Very high | 89.3 | Confident | 81 Ų | 81 | 79.5 Ų | 79.5 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.6 | -77 | 179.2 | -15.9 | 0 | 0 | 111.4 | R374 A380 R381 K382 L389 | R374-Q378 WeakPolarHBondContact O-CG 3.45Å; R374-Q378 PolarHBondContact O-N 3.35Å; Q378-A380 PolarHBondContact O-N 2.88Å; Q378-R381 PolarHBondContact O-N 2.68Å; Q378-K382 WeakPolarHBondContact O-CB 3.33Å; Q378-K382 PolarHBondContact O-N 2.76Å; Q378-L389 PolarHBondContact NE2-O 3.38Å |
| 379 | K | 91.3 | Very high | 87.8 | Confident | 149 Ų | 149 | 75.3 Ų | 75.3 | 65% | 0.648 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.1 | -46.5 | 176 | -171.5 | 179.2 | -179.9 | -177.9 | 0 | 111.8 | A375 L376 M377 K382 T383 | A375-K379 PolarHBondContact O-N 2.86Å; A375-K379 VanDerWaalsContact O-N 3.15Å; L376-K379 PolarHBondContact O-N 3.19Å; M377-K379 VanDerWaalsContact C-N 3.34Å; M377-K379 PolarHBondContact O-N 3.39Å; K379-K382 PolarHBondContact O-N 2.85Å; K379-T383 PolarHBondContact O-N 3.37Å; K379-T383 PolarHBondContact O-OG1 2.81Å; K379-T383 VanDerWaalsContact O-OG1 3.07Å |
| 380 | A | 89.8 | Confident | 85.8 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 5% | 0.05 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | L324 I328 L376 M377 Q378 T383 A384 | L324-A380 HydrophobicContact CD1-CB 4.14Å; I328-A380 HydrophobicContact CD1-CB 4.34Å; I328-A380 HydrophobicContact CG1-CB 3.73Å; L376-A380 WeakPolarHBondContact O-CB 3.21Å; L376-A380 PolarHBondContact O-N 3.42Å; M377-A380 PolarHBondContact O-N 2.81Å; Q378-A380 PolarHBondContact O-N 2.88Å; A380-T383 PolarHBondContact O-N 3.49Å; A380-A384 WeakPolarHBondContact O-CB 3.26Å; A380-A384 PolarHBondContact O-N 2.95Å |
| 381 | R | 88.3 | Confident | 85.3 | Confident | 42 Ų | 42 | 84.4 Ų | 84.4 | 16% | 0.158 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 176.4 | -73.6 | 175.5 | 73.1 | 112.3 | -0.1 | 112.3 | I328 M377 Q378 T383 A384 G385 L386 S387 | I328-R381 HydrophobicContact CD1-CG 4.13Å; I328-R381 HydrophobicContact CG1-CG 4.41Å; I328-R381 HydrophobicContact CG2-CG 4.25Å; M377-R381 HydrophobicContact CG-CG 4.42Å; M377-R381 WeakPolarHBondContact O-CB 3.39Å; M377-R381 VanDerWaalsContact O-CG 3.31Å; M377-R381 WeakPolarHBondContact O-CG 3.14Å; M377-R381 PolarHBondContact O-N 3.41Å; Q378-R381 PolarHBondContact O-N 2.68Å; R381-T383 VanDerWaalsContact C-N 3.32Å; R381-T383 PolarHBondContact O-N 2.87Å; R381-A384 CarbonylContact O-C 3.58Å; R381-A384 WeakPolarHBondContact O-CA 3.41Å; R381-A384 WeakPolarHBondContact O-CB 3.45Å; R381-A384 PolarHBondContact O-N 3.29Å; R381-G385 PolarHBondContact O-N 3.29Å; R381-G385 VanDerWaalsContact O-N 3.12Å; R381-L386 HydrophobicContact CB-CB 4.15Å; R381-L386 HydrophobicContact CG-CB 4.49Å; R381-L386 HydrophobicContact CG-CD1 4.47Å; R381-L386 PolarHBondContact O-N 3.01Å; R381-S387 PolarHBondContact NE-O 2.93Å; R381-S387 PolarHBondContact NH2-O 3.44Å |
| 382 | K | 89.4 | Confident | 84.9 | Confident | 162 Ų | 162 | 80.7 Ų | 80.7 | 70% | 0.704 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.3 | -41.6 | 174.9 | -174.4 | 173.3 | -177.2 | 171 | 0 | 111.9 | Q378 K379 A384 G385 | Q378-K382 WeakPolarHBondContact O-CB 3.33Å; Q378-K382 PolarHBondContact O-N 2.76Å; K379-K382 PolarHBondContact O-N 2.85Å; K382-A384 VanDerWaalsContact C-N 3.29Å; K382-A384 PolarHBondContact O-N 2.76Å; K382-G385 PolarHBondContact O-N 3.31Å |
| 383 | T | 87.8 | Confident | 84.3 | Confident | 104 Ų | 104 | 77.6 Ų | 77.6 | 64% | 0.638 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.9 | -31.8 | 174.3 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | L324 K379 A380 R381 G385 | L324-T383 HydrophobicContact CD2-CG2 4.15Å; K379-T383 PolarHBondContact O-N 3.37Å; K379-T383 PolarHBondContact O-OG1 2.81Å; K379-T383 VanDerWaalsContact O-OG1 3.07Å; A380-T383 PolarHBondContact O-N 3.49Å; R381-T383 VanDerWaalsContact C-N 3.32Å; R381-T383 PolarHBondContact O-N 2.87Å; T383-G385 VanDerWaalsContact C-N 3.28Å; T383-G385 PolarHBondContact O-N 3.37Å |
| 384 | A | 85.7 | Confident | 83.8 | Confident | 21 Ų | 21 | 81.4 Ų | 81.4 | 17% | 0.174 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L324 Y325 I328 A380 R381 K382 L386 | L324-A384 HydrophobicContact CD2-CB 3.64Å; L324-A384 HydrophobicContact CG-CB 4.22Å; Y325-A384 HydrophobicContact CE1-CB 4.13Å; I328-A384 HydrophobicContact CD1-CB 3.98Å; A380-A384 WeakPolarHBondContact O-CB 3.26Å; A380-A384 PolarHBondContact O-N 2.95Å; R381-A384 CarbonylContact O-C 3.58Å; R381-A384 WeakPolarHBondContact O-CA 3.41Å; R381-A384 WeakPolarHBondContact O-CB 3.45Å; R381-A384 PolarHBondContact O-N 3.29Å; K382-A384 VanDerWaalsContact C-N 3.29Å; K382-A384 PolarHBondContact O-N 2.76Å; A384-L386 HydrophobicContact CB-CD1 3.92Å; A384-L386 HydrophobicContact CB-CG 4.07Å; A384-L386 PolarHBondContact O-N 2.87Å |
| 385 | G | 85.9 | Confident | 83.2 | Confident | 72 Ų | 72 | 81.7 Ų | 81.7 | 74% | 0.742 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 16.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R381 K382 T383 | R381-G385 PolarHBondContact O-N 3.29Å; R381-G385 VanDerWaalsContact O-N 3.12Å; K382-G385 PolarHBondContact O-N 3.31Å; T383-G385 VanDerWaalsContact C-N 3.28Å; T383-G385 PolarHBondContact O-N 3.37Å |
| 386 | L | 81.8 | Confident | 82.6 | Confident | 71 Ų | 71 | 84 Ų | 84 | 37% | 0.372 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 148.6 | 175.8 | -65.1 | 167.3 | 0 | 0 | 0 | 109.8 | Y325 I328 R381 A384 | Y325-L386 HydrophobicContact CD1-CD1 4.46Å; Y325-L386 HydrophobicContact CE1-CD1 4.11Å; I328-L386 HydrophobicContact CD1-CD1 3.97Å; R381-L386 HydrophobicContact CB-CB 4.15Å; R381-L386 HydrophobicContact CG-CB 4.49Å; R381-L386 HydrophobicContact CG-CD1 4.47Å; R381-L386 PolarHBondContact O-N 3.01Å; A384-L386 HydrophobicContact CB-CD1 3.92Å; A384-L386 HydrophobicContact CB-CG 4.07Å; A384-L386 PolarHBondContact O-N 2.87Å |
| 387 | S | 75.6 | Confident | 81.9 | Confident | 93 Ų | 93 | 84.6 Ų | 84.6 | 65% | 0.65 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 147.3 | 176.1 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | R381 | R381-S387 PolarHBondContact NE-O 2.93Å; R381-S387 PolarHBondContact NH2-O 3.44Å |
| 388 | D | 71.4 | Confident | 81.1 | Confident | 103 Ų | 103 | 90.8 Ų | 90.8 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 140 | 173.4 | -72.5 | -33.3 | 0 | 0 | 0 | 109.6 | ||
| 389 | L | 64 | Low | 80.3 | Confident | 49 Ų | 49 | 91.6 Ų | 91.6 | 26% | 0.257 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 120.9 | 168.7 | -145.4 | 88.5 | 0 | 0 | 0 | 105.8 | M377 Q378 | M377-L389 HydrophobicContact CE-CD2 4.24Å; Q378-L389 PolarHBondContact NE2-O 3.38Å |
| 390 | Y | 52.7 | Low | 79.3 | Confident | 227 Ų | 227 | 86.4 Ų | 86.4 | 89% | 0.89 | 47% | 0.471 | S | S | * | . | trans | 89.7 | 0 | -175.2 | -52.9 | -71.9 | 0 | 0 | 0 | 116.2 |
Retrieved 390 of 390 residues in 917.9 ms
(Link to these results)