| 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 | Very low | 78.2 | Confident | 242 Ų | 242 | 94.4 Ų | 94.4 | 100% | 1.192 | 53% | 0.529 | S | S | * | . | 0 | 105.9 | 0 | -74 | -177.7 | 162.9 | 0 | 0 | 107.7 | G3 | M1-G3 PolarHBondContact O-N 2.71Š| |||
| 2 | L | 49.4 | Very low | 79.6 | Confident | 180 Ų | 180 | 92.8 Ų | 92.8 | 94% | 0.942 | 51% | 0.509 | S | S | * | . | trans | -69.6 | 111.1 | 173.9 | -88.6 | 77.7 | 0 | 0 | 0 | 107.5 | S4 | L2-S4 PolarHBondContact O-N 3.33Š| ||
| 3 | G | 52.5 | Low | 81 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 74% | 0.742 | 50% | 0.502 | S | S | * | . | trans | -58.2 | 131.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 G5 | M1-G3 PolarHBondContact O-N 2.71Å; G3-G5 PolarHBondContact O-N 3.42Å | ||
| 4 | S | 67.4 | Low | 82.2 | Confident | 84 Ų | 84 | 85.7 Ų | 85.7 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | trans | -57.7 | 127 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | L2 F6 | L2-S4 PolarHBondContact O-N 3.33Å; S4-F6 PolarHBondContact O-N 2.96Å; S4-F6 VanDerWaalsContact O-N 3.08Å; S4-F6 WeakPolarHBondContact OG-CB 3.36Å; S4-F6 PolarHBondContact OG-N 2.81Å | ||
| 5 | G | 84.9 | Confident | 83.2 | Confident | 52 Ų | 52 | 80 Ų | 80 | 54% | 0.536 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -67.1 | -2.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G3 | G3-G5 PolarHBondContact O-N 3.42Š|
| 6 | F | 92.6 | Very high | 84.1 | Confident | 32 Ų | 32 | 84.5 Ų | 84.5 | 14% | 0.14 | 45% | 0.449 | C | S | . | . | trans | -77.3 | 127.2 | 178.6 | 175.9 | -111.3 | 0 | 0 | 0 | 111.8 | S4 A8 L11 I86 Q123 A126 K127 | S4-F6 PolarHBondContact O-N 2.96Å; S4-F6 VanDerWaalsContact O-N 3.08Å; S4-F6 WeakPolarHBondContact OG-CB 3.36Å; S4-F6 PolarHBondContact OG-N 2.81Å; F6-A8 HydrophobicContact CE1-CB 3.8Å; F6-A8 HydrophobicContact CZ-CB 3.93Å; F6-L11 HydrophobicContact CE2-CB 4.19Å; F6-L11 HydrophobicContact CE2-CD2 3.75Å; F6-L11 HydrophobicContact CZ-CD2 4.19Å; F6-I86 HydrophobicContact CZ-CG2 4.43Å; F6-Q123 HydrophobicContact CD2-CB 4.4Å; F6-Q123 WeakPolarHBondContact CD2-O 3.46Å; F6-A126 HydrophobicContact CB-CB 4.2Å; F6-K127 HydrophobicContact CB-CB 4.39Å; F6-K127 HydrophobicContact CD1-CD 3.69Å; F6-K127 HydrophobicContact CD2-CB 3.69Å; F6-K127 HydrophobicContact CD2-CD 4.31Å; F6-K127 HydrophobicContact CD2-CG 4.42Å; F6-K127 HydrophobicContact CE1-CD 3.73Å; F6-K127 HydrophobicContact CE2-CB 4.02Å; F6-K127 HydrophobicContact CE2-CD 4.34Å; F6-K127 HydrophobicContact CE2-CG 4.4Å; F6-K127 HydrophobicContact CG-CB 3.95Å; F6-K127 HydrophobicContact CG-CD 3.98Å; F6-K127 HydrophobicContact CG-CG 4.5Å; F6-K127 HydrophobicContact CZ-CD 4.05Å; F6-K127 HydrophobicContact CZ-CG 4.49Å | ||
| 7 | K | 94.8 | Very high | 84.9 | Confident | 132 Ų | 132 | 84.2 Ų | 84.2 | 57% | 0.574 | 45% | 0.447 | S | S | * | . | trans | -121.9 | 102 | 175.4 | -65.6 | -175.6 | 178.7 | -173.2 | 0 | 108.4 | E9 R10 L11 Q123 | K7-E9 PolarHBondContact O-N 3.25Å; K7-R10 HydrophobicContact CB-CB 3.74Å; K7-R10 WeakPolarHBondContact O-CB 3.48Å; K7-R10 PolarHBondContact O-N 3.37Å; K7-R10 VanDerWaalsContact O-N 3.13Å; K7-L11 PolarHBondContact O-N 3.21Å; K7-Q123 PolarHBondContact O-OE1 3.28Å | ||
| 8 | A | 94 | Very high | 85.6 | Confident | 19 Ų | 19 | 79.6 Ų | 79.6 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -55.3 | -50.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F6 R10 L11 R12 F83 Q87 | F6-A8 HydrophobicContact CE1-CB 3.8Å; F6-A8 HydrophobicContact CZ-CB 3.93Å; A8-R10 PolarHBondContact O-N 3.41Å; A8-L11 WeakPolarHBondContact O-CB 3.34Å; A8-L11 PolarHBondContact O-N 3.04Å; A8-R12 PolarHBondContact O-N 3.05Å; A8-F83 HydrophobicContact CB-CE1 4.2Å; A8-F83 HydrophobicContact CB-CZ 4.13Å; A8-F83 WeakPolarHBondContact O-CZ 3.38Å; A8-Q87 HydrophobicContact CB-CG 4.34Å |
| 9 | E | 95.3 | Very high | 86.2 | Confident | 106 Ų | 106 | 76.1 Ų | 76.1 | 50% | 0.495 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -33.7 | -178.3 | -162.8 | 54.8 | -142.9 | 0 | 0 | 112.2 | K7 L11 R12 V13 | K7-E9 PolarHBondContact O-N 3.25Å; E9-L11 PolarHBondContact O-N 3.05Å; E9-R12 PolarHBondContact O-N 3.12Å; E9-R12 IonicContact OE2-CZ 3.92Å; E9-R12 IonicContact OE2-NH1 3.04Å; E9-R12 PolarHBondContact OE2-NH1 2.8Å; E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 2.91Å |
| 10 | R | 95.4 | Very high | 86.7 | Confident | 119 Ų | 119 | 77.5 Ų | 77.5 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 172.9 | -172.3 | 178.3 | 179.8 | 175.5 | 4.2 | 111.2 | K7 A8 N14 | K7-R10 HydrophobicContact CB-CB 3.74Å; K7-R10 WeakPolarHBondContact O-CB 3.48Å; K7-R10 PolarHBondContact O-N 3.37Å; K7-R10 VanDerWaalsContact O-N 3.13Å; A8-R10 PolarHBondContact O-N 3.41Å; R10-N14 WeakPolarHBondContact O-CB 3.41Å; R10-N14 PolarHBondContact O-N 3.38Å; R10-N14 VanDerWaalsContact O-N 3.07Å; R10-N14 PolarHBondContact O-ND2 3.04Å |
| 11 | L | 96.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 175.4 | 175.3 | 63.2 | 0 | 0 | 0 | 110.9 | F6 K7 A8 E9 V13 N14 L15 F83 I86 V120 Q123 L124 | F6-L11 HydrophobicContact CE2-CB 4.19Å; F6-L11 HydrophobicContact CE2-CD2 3.75Å; F6-L11 HydrophobicContact CZ-CD2 4.19Å; K7-L11 PolarHBondContact O-N 3.21Å; A8-L11 WeakPolarHBondContact O-CB 3.34Å; A8-L11 PolarHBondContact O-N 3.04Å; E9-L11 PolarHBondContact O-N 3.05Å; L11-V13 PolarHBondContact O-N 3.34Å; L11-N14 PolarHBondContact O-N 3.03Å; L11-L15 HydrophobicContact CD1-CD1 4.03Å; L11-L15 HydrophobicContact CD1-CG 4.03Å; L11-L15 HydrophobicContact CG-CD1 3.93Å; L11-L15 HydrophobicContact CG-CG 4.37Å; L11-L15 WeakPolarHBondContact O-CG 3.21Å; L11-L15 PolarHBondContact O-N 3.17Å; L11-F83 HydrophobicContact CB-CE2 4.26Å; L11-F83 HydrophobicContact CB-CZ 4.43Å; L11-F83 HydrophobicContact CD2-CE2 3.77Å; L11-F83 HydrophobicContact CD2-CZ 4.39Å; L11-F83 HydrophobicContact CG-CE2 3.89Å; L11-I86 HydrophobicContact CD2-CG2 4.21Å; L11-V120 HydrophobicContact CD1-CB 4.29Å; L11-V120 HydrophobicContact CD1-CG1 3.82Å; L11-V120 HydrophobicContact CD1-CG2 4.37Å; L11-Q123 HydrophobicContact CB-CB 4.06Å; L11-Q123 HydrophobicContact CB-CG 4.3Å; L11-Q123 HydrophobicContact CD1-CB 4.01Å; L11-Q123 HydrophobicContact CG-CB 4.49Å; L11-L124 HydrophobicContact CD1-CD2 4.4Å; L11-L124 HydrophobicContact CD1-CG 4.28Å; L11-L124 HydrophobicContact CD2-CD2 3.94Å |
| 12 | R | 96.1 | Very high | 90.1 | Very high | 76 Ų | 76 | 67.1 Ų | 67.1 | 29% | 0.287 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | -179.4 | 179.2 | -176.7 | -79.7 | 165.4 | -13 | 112.5 | A8 E9 L15 R16 L80 F83 | A8-R12 PolarHBondContact O-N 3.05Å; E9-R12 PolarHBondContact O-N 3.12Å; E9-R12 IonicContact OE2-CZ 3.92Å; E9-R12 IonicContact OE2-NH1 3.04Å; E9-R12 PolarHBondContact OE2-NH1 2.8Å; R12-L15 PolarHBondContact O-N 3.04Å; R12-R16 PolarHBondContact O-N 3.03Å; R12-L80 HydrophobicContact CG-CD2 4Å; R12-F83 HydrophobicContact CB-CD2 4.49Å; R12-F83 HydrophobicContact CB-CE1 4.16Å; R12-F83 HydrophobicContact CB-CE2 3.98Å; R12-F83 HydrophobicContact CB-CZ 3.82Å |
| 13 | V | 97.6 | Very high | 92.3 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 42% | 0.424 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 178.9 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | E9 L11 L15 R16 L17 | E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 2.91Å; L11-V13 PolarHBondContact O-N 3.34Å; V13-L15 PolarHBondContact O-N 3.49Å; V13-R16 PolarHBondContact O-N 3.21Å; V13-L17 HydrophobicContact CG1-CD1 4.24Å; V13-L17 WeakPolarHBondContact O-CG 3.28Å; V13-L17 PolarHBondContact O-N 2.95Å |
| 14 | N | 97.2 | Very high | 94.4 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 9% | 0.086 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.8 | -35.3 | -179.6 | -77.7 | -88.2 | 0 | 0 | 0 | 112.6 | R10 L11 R16 L17 V18 I119 V120 | R10-N14 WeakPolarHBondContact O-CB 3.41Å; R10-N14 PolarHBondContact O-N 3.38Å; R10-N14 VanDerWaalsContact O-N 3.07Å; R10-N14 PolarHBondContact O-ND2 3.04Å; L11-N14 PolarHBondContact O-N 3.03Å; N14-R16 VanDerWaalsContact C-N 3.32Å; N14-R16 PolarHBondContact O-N 3.38Å; N14-L17 PolarHBondContact O-N 3.24Å; N14-V18 VanDerWaalsContact O-CG2 3.3Å; N14-V18 WeakPolarHBondContact O-CG2 3.5Å; N14-V18 PolarHBondContact O-N 3.29Å; N14-I119 HydrophobicContact CB-CG2 4.46Å; N14-I119 WeakPolarHBondContact OD1-CD1 3.28Å; N14-V120 HydrophobicContact CB-CG2 3.76Å |
| 15 | L | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59 | -43.2 | 172.9 | -77.5 | 168.8 | 0 | 0 | 0 | 111.7 | L11 R12 V13 V18 I19 C76 L79 L80 F83 V120 | L11-L15 HydrophobicContact CD1-CD1 4.03Å; L11-L15 HydrophobicContact CD1-CG 4.03Å; L11-L15 HydrophobicContact CG-CD1 3.93Å; L11-L15 HydrophobicContact CG-CG 4.37Å; L11-L15 WeakPolarHBondContact O-CG 3.21Å; L11-L15 PolarHBondContact O-N 3.17Å; R12-L15 PolarHBondContact O-N 3.04Å; V13-L15 PolarHBondContact O-N 3.49Å; L15-V18 PolarHBondContact O-N 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.15Å; L15-I19 PolarHBondContact O-N 2.9Å; L15-C76 HydrophobicContact CD2-CB 4.11Å; L15-L79 HydrophobicContact CD1-CB 4.03Å; L15-L79 HydrophobicContact CD2-CB 4.46Å; L15-L79 HydrophobicContact CD2-CD1 4.41Å; L15-L80 HydrophobicContact CB-CD1 4.11Å; L15-L80 HydrophobicContact CB-CD2 3.77Å; L15-L80 HydrophobicContact CB-CG 3.81Å; L15-L80 HydrophobicContact CD1-CD2 3.94Å; L15-L80 HydrophobicContact CD1-CG 4.13Å; L15-F83 HydrophobicContact CD1-CD2 4.36Å; L15-F83 HydrophobicContact CD1-CE2 4.38Å; L15-V120 HydrophobicContact CD2-CG1 3.73Å; L15-V120 HydrophobicContact CD2-CG2 4.17Å; L15-V120 HydrophobicContact CG-CG1 4.38Å; L15-V120 HydrophobicContact CG-CG2 4.29Å |
| 16 | R | 97.5 | Very high | 96.2 | Very high | 152 Ų | 152 | 60 Ų | 60 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 175.9 | -68.4 | 176.4 | 177.9 | -122.6 | -1.2 | 112.3 | R12 V13 N14 I19 N20 L80 | R12-R16 PolarHBondContact O-N 3.03Å; V13-R16 PolarHBondContact O-N 3.21Å; N14-R16 VanDerWaalsContact C-N 3.32Å; N14-R16 PolarHBondContact O-N 3.38Å; R16-I19 PolarHBondContact O-N 2.81Å; R16-N20 PolarHBondContact O-N 3.38Å; R16-N20 VanDerWaalsContact O-N 3.09Å; R16-N20 PolarHBondContact O-ND2 2.9Å; R16-L80 HydrophobicContact CG-CD1 3.7Å; R16-L80 HydrophobicContact CG-CD2 4.31Å |
| 17 | L | 97.1 | Very high | 96.4 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 42% | 0.419 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 175.8 | -68.1 | 175 | 0 | 0 | 0 | 111.6 | V13 N14 N20 R21 E116 | V13-L17 HydrophobicContact CG1-CD1 4.24Å; V13-L17 WeakPolarHBondContact O-CG 3.28Å; V13-L17 PolarHBondContact O-N 2.95Å; N14-L17 PolarHBondContact O-N 3.24Å; L17-N20 PolarHBondContact O-N 3.39Å; L17-R21 VanDerWaalsContact O-CB 3.25Å; L17-R21 WeakPolarHBondContact O-CB 3.22Å; L17-R21 PolarHBondContact O-N 3.06Å; L17-E116 HydrophobicContact CB-CG 4.09Å; L17-E116 HydrophobicContact CD1-CG 4.44Å |
| 18 | V | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | N14 L15 N20 R21 L22 V114 E116 L117 V120 | N14-V18 VanDerWaalsContact O-CG2 3.3Å; N14-V18 WeakPolarHBondContact O-CG2 3.5Å; N14-V18 PolarHBondContact O-N 3.29Å; L15-V18 PolarHBondContact O-N 3.25Å; V18-N20 PolarHBondContact O-N 3.4Å; V18-R21 WeakPolarHBondContact O-CB 3.43Å; V18-R21 PolarHBondContact O-N 3Å; V18-R21 VanDerWaalsContact O-N 3.12Å; V18-L22 HydrophobicContact CG1-CD1 3.62Å; V18-L22 HydrophobicContact CG1-CG 4.06Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3Å; V18-V114 HydrophobicContact CG1-CG1 4.3Å; V18-V114 HydrophobicContact CG2-CG1 4.13Å; V18-E116 HydrophobicContact CG2-CB 3.61Å; V18-L117 HydrophobicContact CG1-CD1 4.36Å; V18-L117 HydrophobicContact CG2-CB 4.37Å; V18-V120 HydrophobicContact CG2-CG2 3.97Å |
| 19 | I | 97.3 | Very high | 96.5 | Very high | 13 Ų | 13 | 65.7 Ų | 65.7 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.9 | -50.2 | 177.7 | -69.4 | 167.7 | 0 | 0 | 0 | 111.1 | L15 R16 R21 L22 K23 E73 C76 D77 L80 | L15-I19 WeakPolarHBondContact O-CG1 3.15Å; L15-I19 PolarHBondContact O-N 2.9Å; R16-I19 PolarHBondContact O-N 2.81Å; I19-R21 VanDerWaalsContact C-N 3.27Å; I19-R21 PolarHBondContact O-N 2.91Å; I19-L22 PolarHBondContact O-N 3.41Å; I19-K23 HydrophobicContact CG2-CD 4.39Å; I19-K23 WeakPolarHBondContact O-CG 3.5Å; I19-K23 PolarHBondContact O-N 3.11Å; I19-K23 VanDerWaalsContact O-N 3.09Å; I19-E73 HydrophobicContact CG1-CG 4.34Å; I19-E73 HydrophobicContact CG2-CG 4.05Å; I19-C76 HydrophobicContact CD1-CB 3.93Å; I19-C76 HydrophobicContact CG1-CB 3.55Å; I19-D77 HydrophobicContact CD1-CB 4.21Å; I19-L80 HydrophobicContact CD1-CD1 3.47Å; I19-L80 VanDerWaalsContact CD1-CD1 3.47Å |
| 20 | N | 97.1 | Very high | 96.5 | Very high | 105 Ų | 105 | 63.3 Ų | 63.3 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.6 | -36.3 | 179.8 | -69.1 | -25.8 | 0 | 0 | 0 | 112.3 | R16 L17 V18 L24 | R16-N20 PolarHBondContact O-N 3.38Å; R16-N20 VanDerWaalsContact O-N 3.09Å; R16-N20 PolarHBondContact O-ND2 2.9Å; L17-N20 PolarHBondContact O-N 3.39Å; V18-N20 PolarHBondContact O-N 3.4Å; N20-L24 PolarHBondContact O-N 2.96Å |
| 21 | R | 96.8 | Very high | 96.5 | Very high | 100 Ų | 100 | 62 Ų | 62 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.7 | -44 | 178.2 | -178.9 | 60.5 | 175.3 | -169.2 | -0.7 | 111.7 | L17 V18 I19 L24 L25 E113 V114 | L17-R21 VanDerWaalsContact O-CB 3.25Å; L17-R21 WeakPolarHBondContact O-CB 3.22Å; L17-R21 PolarHBondContact O-N 3.06Å; V18-R21 WeakPolarHBondContact O-CB 3.43Å; V18-R21 PolarHBondContact O-N 3Å; V18-R21 VanDerWaalsContact O-N 3.12Å; I19-R21 VanDerWaalsContact C-N 3.27Å; I19-R21 PolarHBondContact O-N 2.91Å; R21-L24 PolarHBondContact O-N 3.26Å; R21-L25 HydrophobicContact CG-CD1 4.03Å; R21-L25 WeakPolarHBondContact O-CG 3.3Å; R21-L25 PolarHBondContact O-N 3.5Å; R21-E113 PolarHBondContact NE-O 3.4Å; R21-E113 PolarHBondContact NH2-O 3.48Å; R21-V114 HydrophobicContact CG-CG1 4.11Å; R21-V114 HydrophobicContact CG-CG2 4.17Å |
| 22 | L | 96.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -50.9 | 177.8 | -70.3 | 172.1 | 0 | 0 | 0 | 110.4 | V18 I19 L24 L25 E26 M69 L72 E73 V114 | V18-L22 HydrophobicContact CG1-CD1 3.62Å; V18-L22 HydrophobicContact CG1-CG 4.06Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3Å; I19-L22 PolarHBondContact O-N 3.41Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 2.74Å; L22-L25 CarbonylContact O-C 3.59Å; L22-L25 WeakPolarHBondContact O-CA 3.43Å; L22-L25 PolarHBondContact O-N 3.12Å; L22-E26 WeakPolarHBondContact O-CB 3.31Å; L22-E26 WeakPolarHBondContact O-CG 3.27Å; L22-E26 PolarHBondContact O-N 3.33Å; L22-M69 HydrophobicContact CD2-CB 3.85Å; L22-M69 HydrophobicContact CD2-CG 3.79Å; L22-M69 HydrophobicContact CD2-SD 4.05Å; L22-L72 HydrophobicContact CD1-CB 4.03Å; L22-E73 HydrophobicContact CD1-CB 4.09Å; L22-V114 HydrophobicContact CD2-CG2 3.93Å |
| 23 | K | 96.3 | Very high | 96.3 | Very high | 105 Ų | 105 | 63 Ų | 63 | 46% | 0.457 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -51.2 | -44.1 | 174.7 | -71.6 | -176.8 | -179.5 | -172.5 | 0 | 114 | I19 K27 E73 | I19-K23 HydrophobicContact CG2-CD 4.39Å; I19-K23 WeakPolarHBondContact O-CG 3.5Å; I19-K23 PolarHBondContact O-N 3.11Å; I19-K23 VanDerWaalsContact O-N 3.09Å; K23-K27 PolarHBondContact O-N 3.04Å; K23-E73 WeakPolarHBondContact CE-OE1 3.19Å; K23-E73 WeakPolarHBondContact CE-OE2 3.31Å; K23-E73 WeakPolarHBondContact CG-OE2 3.31Å; K23-E73 IonicContact NZ-OE1 3.12Å; K23-E73 PolarHBondContact NZ-OE1 2.96Å; K23-E73 VanDerWaalsContact NZ-OE1 3.12Å |
| 24 | L | 96.2 | Very high | 96 | Very high | 107 Ų | 107 | 63.5 Ų | 63.5 | 56% | 0.56 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.1 | -40.8 | 179.4 | -178.5 | 64.4 | 0 | 0 | 0 | 111.4 | N20 R21 L22 K28 | N20-L24 PolarHBondContact O-N 2.96Å; R21-L24 PolarHBondContact O-N 3.26Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 2.74Å; L24-K28 VanDerWaalsContact O-CB 3.29Å; L24-K28 WeakPolarHBondContact O-CB 3.48Å; L24-K28 PolarHBondContact O-N 2.78Å |
| 25 | L | 95.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.1 | -43.7 | 179.6 | -73.2 | 173.2 | 0 | 0 | 0 | 111.9 | R21 L22 K27 K28 K29 M69 E113 V114 | R21-L25 HydrophobicContact CG-CD1 4.03Å; R21-L25 WeakPolarHBondContact O-CG 3.3Å; R21-L25 PolarHBondContact O-N 3.5Å; L22-L25 CarbonylContact O-C 3.59Å; L22-L25 WeakPolarHBondContact O-CA 3.43Å; L22-L25 PolarHBondContact O-N 3.12Å; L25-K27 PolarHBondContact O-N 3.26Å; L25-K28 PolarHBondContact O-N 3.42Å; L25-K29 WeakPolarHBondContact O-CB 3.32Å; L25-K29 WeakPolarHBondContact O-CG 3.04Å; L25-K29 PolarHBondContact O-N 3.44Å; L25-M69 HydrophobicContact CB-CE 4.28Å; L25-M69 HydrophobicContact CB-SD 3.62Å; L25-M69 HydrophobicContact CD1-SD 4.13Å; L25-E113 HydrophobicContact CD1-CB 4.05Å; L25-V114 HydrophobicContact CD1-CG2 3.62Å |
| 26 | E | 95.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 69.6 Ų | 69.6 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.1 | -52 | 174.7 | -73.1 | 160.6 | -161.9 | 0 | 0 | 110.6 | L22 K28 K29 T30 V66 M69 E70 | L22-E26 WeakPolarHBondContact O-CB 3.31Å; L22-E26 WeakPolarHBondContact O-CG 3.27Å; L22-E26 PolarHBondContact O-N 3.33Å; E26-K28 PolarHBondContact O-N 3.06Å; E26-K29 PolarHBondContact O-N 3.38Å; E26-T30 VanDerWaalsContact O-CB 3.32Å; E26-T30 WeakPolarHBondContact O-CB 3.45Å; E26-T30 PolarHBondContact O-N 2.99Å; E26-T30 PolarHBondContact O-OG1 3.09Å; E26-V66 HydrophobicContact CB-CG1 4.4Å; E26-V66 HydrophobicContact CG-CG1 4.38Å; E26-M69 HydrophobicContact CG-CB 3.75Å; E26-M69 VanDerWaalsContact OE1-C 3.25Å; E26-E70 HydrophobicContact CG-CG 4.3Å; E26-E70 PolarHBondContact OE1-N 3.03Å |
| 27 | K | 95.8 | Very high | 95.7 | Very high | 148 Ų | 148 | 64 Ų | 64 | 64% | 0.643 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.7 | -48.3 | 176.2 | -174 | 173 | -176.4 | 171.7 | 0 | 111.8 | K23 L25 K29 E31 | K23-K27 PolarHBondContact O-N 3.04Å; L25-K27 PolarHBondContact O-N 3.26Å; K27-K29 PolarHBondContact O-N 3.41Å; K27-E31 VanDerWaalsContact O-CG 3.26Å; K27-E31 WeakPolarHBondContact O-CG 3.42Å; K27-E31 PolarHBondContact O-N 3.43Å; K27-E31 VanDerWaalsContact O-N 3.13Å |
| 28 | K | 96 | Very high | 95.6 | Very high | 128 Ų | 128 | 66 Ų | 66 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.9 | -43.8 | -179.1 | -179.8 | -174.7 | 174.7 | -170.9 | 0 | 112 | L24 L25 E26 L32 | L24-K28 VanDerWaalsContact O-CB 3.29Å; L24-K28 WeakPolarHBondContact O-CB 3.48Å; L24-K28 PolarHBondContact O-N 2.78Å; L25-K28 PolarHBondContact O-N 3.42Å; E26-K28 PolarHBondContact O-N 3.06Å; K28-L32 HydrophobicContact CG-CD1 4.29Å; K28-L32 WeakPolarHBondContact O-CG 3.47Å; K28-L32 PolarHBondContact O-N 3.33Å; K28-L32 VanDerWaalsContact O-N 3.12Å |
| 29 | K | 95.3 | Very high | 95.5 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.6 | -41.2 | -177.1 | -72.5 | -88.3 | -173.1 | 175.5 | 0 | 110.9 | L25 E26 K27 E31 L32 A33 E62 L65 V66 E113 | L25-K29 WeakPolarHBondContact O-CB 3.32Å; L25-K29 WeakPolarHBondContact O-CG 3.04Å; L25-K29 PolarHBondContact O-N 3.44Å; E26-K29 PolarHBondContact O-N 3.38Å; K27-K29 PolarHBondContact O-N 3.41Å; K29-E31 PolarHBondContact O-N 3.09Å; K29-L32 PolarHBondContact O-N 2.98Å; K29-A33 WeakPolarHBondContact O-CB 3.29Å; K29-A33 PolarHBondContact O-N 2.84Å; K29-E62 WeakPolarHBondContact CD-OE2 3.29Å; K29-E62 WeakPolarHBondContact CE-OE2 3.35Å; K29-E62 IonicContact NZ-OE1 3.76Å; K29-E62 IonicContact NZ-OE2 3.64Å; K29-E62 PolarHBondContact NZ-OE2 3.5Å; K29-L65 HydrophobicContact CD-CD2 4.47Å; K29-V66 HydrophobicContact CB-CG2 3.48Å; K29-V66 VanDerWaalsContact CB-CG2 3.48Å; K29-V66 HydrophobicContact CG-CG2 4.48Å; K29-E113 IonicContact NZ-OE1 2.72Å; K29-E113 PolarHBondContact NZ-OE1 3.11Å |
| 30 | T | 94.2 | Very high | 95.5 | Very high | 56 Ų | 56 | 69.2 Ų | 69.2 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 174.2 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | E26 L32 A33 Q34 | E26-T30 VanDerWaalsContact O-CB 3.32Å; E26-T30 WeakPolarHBondContact O-CB 3.45Å; E26-T30 PolarHBondContact O-N 2.99Å; E26-T30 PolarHBondContact O-OG1 3.09Å; T30-L32 PolarHBondContact O-N 3.28Å; T30-A33 WeakPolarHBondContact O-CB 3.5Å; T30-A33 PolarHBondContact O-N 3.38Å; T30-Q34 WeakPolarHBondContact O-CG 3.46Å; T30-Q34 PolarHBondContact O-N 3.47Å |
| 31 | E | 95.4 | Very high | 95.4 | Very high | 92 Ų | 92 | 64.4 Ų | 64.4 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 176.2 | -71.4 | -68.4 | 153.2 | 0 | 0 | 112.8 | K27 K29 K35 | K27-E31 VanDerWaalsContact O-CG 3.26Å; K27-E31 WeakPolarHBondContact O-CG 3.42Å; K27-E31 PolarHBondContact O-N 3.43Å; K27-E31 VanDerWaalsContact O-N 3.13Å; K29-E31 PolarHBondContact O-N 3.09Å; E31-K35 WeakPolarHBondContact O-CG 3.46Å; E31-K35 PolarHBondContact O-N 3.46Å |
| 32 | L | 94.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 47% | 0.466 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 175.4 | -72.5 | 172.8 | 0 | 0 | 0 | 111.8 | K28 K29 T30 K35 A36 | K28-L32 HydrophobicContact CG-CD1 4.29Å; K28-L32 WeakPolarHBondContact O-CG 3.47Å; K28-L32 PolarHBondContact O-N 3.33Å; K28-L32 VanDerWaalsContact O-N 3.12Å; K29-L32 PolarHBondContact O-N 2.98Å; T30-L32 PolarHBondContact O-N 3.28Å; L32-K35 PolarHBondContact O-N 3.38Å; L32-A36 WeakPolarHBondContact O-CB 3.38Å; L32-A36 PolarHBondContact O-N 2.78Å |
| 33 | A | 93.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 5% | 0.05 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K29 T30 K35 A36 R37 | K29-A33 WeakPolarHBondContact O-CB 3.29Å; K29-A33 PolarHBondContact O-N 2.84Å; T30-A33 WeakPolarHBondContact O-CB 3.5Å; T30-A33 PolarHBondContact O-N 3.38Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 2.95Å; A33-A36 PolarHBondContact O-N 2.7Å; A33-R37 WeakPolarHBondContact O-CG 3.12Å; A33-R37 PolarHBondContact O-N 2.89Å |
| 34 | Q | 93 | Very high | 95.3 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 175.1 | -71.8 | -174.4 | 7.5 | 0 | 0 | 112.5 | T30 R37 K38 | T30-Q34 WeakPolarHBondContact O-CG 3.46Å; T30-Q34 PolarHBondContact O-N 3.47Å; Q34-R37 PolarHBondContact O-N 2.91Å; Q34-K38 PolarHBondContact O-N 3.31Å |
| 35 | K | 95.3 | Very high | 95.3 | Very high | 136 Ų | 136 | 60.7 Ų | 60.7 | 59% | 0.591 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.7 | -42.8 | 175 | -70 | 178.2 | -174.9 | -179.4 | 0 | 111.9 | E31 L32 A33 R37 K38 E39 | E31-K35 WeakPolarHBondContact O-CG 3.46Å; E31-K35 PolarHBondContact O-N 3.46Å; L32-K35 PolarHBondContact O-N 3.38Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 2.95Å; K35-R37 VanDerWaalsContact C-N 3.32Å; K35-R37 PolarHBondContact O-N 3.45Å; K35-K38 WeakPolarHBondContact O-CB 2.71Å; K35-K38 PolarHBondContact O-N 2.93Å; K35-E39 PolarHBondContact O-N 3.11Å; K35-E39 VanDerWaalsContact O-N 3.13Å |
| 36 | A | 95.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 63.4 Ų | 63.4 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L32 A33 K38 E39 I40 I59 | L32-A36 WeakPolarHBondContact O-CB 3.38Å; L32-A36 PolarHBondContact O-N 2.78Å; A33-A36 PolarHBondContact O-N 2.7Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 2.99Å; A36-E39 WeakPolarHBondContact O-CB 3.38Å; A36-E39 PolarHBondContact O-N 2.75Å; A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 3.01Å; A36-I59 VanDerWaalsContact C-CD1 3.41Å; A36-I59 HydrophobicContact CB-CD1 3.47Å; A36-I59 VanDerWaalsContact CB-CD1 3.47Å; A36-I59 HydrophobicContact CB-CG1 3.89Å |
| 37 | R | 95.3 | Very high | 95.1 | Very high | 35 Ų | 35 | 65 Ų | 65 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 174.1 | -70.9 | 174.2 | -167.7 | 171.8 | 1.9 | 111.6 | A33 Q34 K35 I40 A41 I59 D63 I169 Y173 | A33-R37 WeakPolarHBondContact O-CG 3.12Å; A33-R37 PolarHBondContact O-N 2.89Å; Q34-R37 PolarHBondContact O-N 2.91Å; K35-R37 VanDerWaalsContact C-N 3.32Å; K35-R37 PolarHBondContact O-N 3.45Å; R37-I40 WeakPolarHBondContact O-CB 3.38Å; R37-I40 PolarHBondContact O-N 3.42Å; R37-A41 PolarHBondContact O-N 3.3Å; R37-A41 VanDerWaalsContact O-N 3.09Å; R37-I59 HydrophobicContact CB-CD1 4.44Å; R37-I59 HydrophobicContact CG-CD1 3.81Å; R37-I59 HydrophobicContact CG-CG2 4.16Å; R37-D63 IonicContact CZ-OD2 2.76Å; R37-D63 VanDerWaalsContact NH2-CG 3.29Å; R37-D63 IonicContact NH2-OD1 3.19Å; R37-D63 PolarHBondContact NH2-OD1 3.14Å; R37-D63 IonicContact NH2-OD2 2.75Å; R37-D63 PolarHBondContact NH2-OD2 3.31Å; R37-I169 HydrophobicContact CB-CD1 4.38Å; R37-I169 HydrophobicContact CB-CG1 4.44Å; R37-I169 HydrophobicContact CG-CD1 4.06Å; R37-I169 HydrophobicContact CG-CG1 4.32Å; R37-Y173 HydrophobicContact CB-CE2 4.41Å |
| 38 | K | 95.3 | Very high | 95.1 | Very high | 121 Ų | 121 | 63.8 Ų | 63.8 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 171.5 | -173.6 | 178.1 | 177.7 | 177.9 | 0 | 112.2 | Q34 K35 A36 I40 A41 D42 Y173 | Q34-K38 PolarHBondContact O-N 3.31Å; K35-K38 WeakPolarHBondContact O-CB 2.71Å; K35-K38 PolarHBondContact O-N 2.93Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 2.99Å; K38-I40 PolarHBondContact O-N 3.49Å; K38-A41 WeakPolarHBondContact O-CB 3.4Å; K38-A41 PolarHBondContact O-N 2.83Å; K38-A41 VanDerWaalsContact O-N 3.12Å; K38-D42 PolarHBondContact O-N 3.29Å; K38-D42 VanDerWaalsContact O-N 3.07Å; K38-Y173 HydrophobicContact CB-CE1 4.04Å; K38-Y173 HydrophobicContact CG-CE1 4Å |
| 39 | E | 95.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.5 | -35.4 | 175.2 | -64.8 | 171.6 | 174.5 | 0 | 0 | 112.2 | K35 A36 D42 Y43 R55 | K35-E39 PolarHBondContact O-N 3.11Å; K35-E39 VanDerWaalsContact O-N 3.13Å; A36-E39 WeakPolarHBondContact O-CB 3.38Å; A36-E39 PolarHBondContact O-N 2.75Å; E39-D42 PolarHBondContact O-N 3.06Å; E39-Y43 WeakPolarHBondContact O-CD2 3.05Å; E39-Y43 PolarHBondContact O-N 2.94Å; E39-Y43 VanDerWaalsContact O-N 3.07Å; E39-R55 IonicContact OE2-CZ 3.79Å; E39-R55 IonicContact OE2-NE 3.17Å; E39-R55 IonicContact OE2-NH2 3.05Å; E39-R55 PolarHBondContact OE2-NH2 3.05Å |
| 40 | I | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 174.5 | -69.5 | 178.8 | 0 | 0 | 0 | 110.9 | A36 R37 K38 D42 Y43 L44 A52 R55 V56 I59 L166 I169 | A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 3.01Å; R37-I40 WeakPolarHBondContact O-CB 3.38Å; R37-I40 PolarHBondContact O-N 3.42Å; K38-I40 PolarHBondContact O-N 3.49Å; I40-D42 PolarHBondContact O-N 2.9Å; I40-Y43 WeakPolarHBondContact O-CA 3.32Å; I40-Y43 WeakPolarHBondContact O-CB 3.43Å; I40-Y43 PolarHBondContact O-N 2.95Å; I40-L44 HydrophobicContact CG2-CD1 4.21Å; I40-L44 HydrophobicContact CG2-CG 4.32Å; I40-L44 WeakPolarHBondContact O-CG 3.43Å; I40-L44 PolarHBondContact O-N 2.98Å; I40-A52 HydrophobicContact CG2-CB 4.17Å; I40-R55 HydrophobicContact CD1-CB 4.3Å; I40-R55 HydrophobicContact CD1-CG 4.03Å; I40-R55 HydrophobicContact CG1-CB 4.02Å; I40-R55 HydrophobicContact CG1-CG 3.63Å; I40-V56 HydrophobicContact CD1-CB 3.7Å; I40-V56 HydrophobicContact CD1-CG2 3.81Å; I40-I59 HydrophobicContact CD1-CD1 3.25Å; I40-I59 HydrophobicContact CD1-CG1 4.03Å; I40-I59 HydrophobicContact CG1-CD1 4.1Å; I40-L166 HydrophobicContact CG2-CD2 3.73Å; I40-I169 HydrophobicContact CB-CD1 4.41Å; I40-I169 HydrophobicContact CB-CG2 4.32Å; I40-I169 HydrophobicContact CD1-CD1 3.98Å; I40-I169 HydrophobicContact CG2-CD1 4.07Å; I40-I169 HydrophobicContact CG2-CG2 3.99Å |
| 41 | A | 96.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.6 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R37 K38 Y43 L44 A45 I169 Y173 V175 | R37-A41 PolarHBondContact O-N 3.3Å; R37-A41 VanDerWaalsContact O-N 3.09Å; K38-A41 WeakPolarHBondContact O-CB 3.4Å; K38-A41 PolarHBondContact O-N 2.83Å; K38-A41 VanDerWaalsContact O-N 3.12Å; A41-Y43 VanDerWaalsContact C-N 3.35Å; A41-Y43 PolarHBondContact O-N 3.18Å; A41-L44 PolarHBondContact O-N 3.47Å; A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 3.2Å; A41-I169 HydrophobicContact CB-CG2 4.24Å; A41-Y173 HydrophobicContact CB-CD1 4.06Å; A41-Y173 HydrophobicContact CB-CD2 3.68Å; A41-Y173 HydrophobicContact CB-CE2 4.38Å; A41-Y173 HydrophobicContact CB-CG 3.49Å; A41-Y173 VanDerWaalsContact CB-CG 3.49Å; A41-V175 HydrophobicContact CB-CG2 4.32Å |
| 42 | D | 96.3 | Very high | 94.7 | Very high | 97 Ų | 97 | 64.1 Ų | 64.1 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 174.5 | -63.5 | -30.5 | 0 | 0 | 0 | 112.2 | K38 E39 I40 A46 | K38-D42 PolarHBondContact O-N 3.29Å; K38-D42 VanDerWaalsContact O-N 3.07Å; E39-D42 PolarHBondContact O-N 3.06Å; I40-D42 PolarHBondContact O-N 2.9Å; D42-A46 WeakPolarHBondContact O-CB 3.37Å; D42-A46 PolarHBondContact O-N 3.29Å; D42-A46 VanDerWaalsContact O-N 3.11Å |
| 43 | Y | 96.3 | Very high | 94.7 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 24% | 0.239 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 174.1 | -70.2 | -38.9 | 0 | 0 | 0 | 113 | E39 I40 A41 A46 G47 K48 R51 R55 | E39-Y43 WeakPolarHBondContact O-CD2 3.05Å; E39-Y43 PolarHBondContact O-N 2.94Å; E39-Y43 VanDerWaalsContact O-N 3.07Å; I40-Y43 WeakPolarHBondContact O-CA 3.32Å; I40-Y43 WeakPolarHBondContact O-CB 3.43Å; I40-Y43 PolarHBondContact O-N 2.95Å; A41-Y43 VanDerWaalsContact C-N 3.35Å; A41-Y43 PolarHBondContact O-N 3.18Å; Y43-A46 CarbonylContact O-C 3.6Å; Y43-A46 PolarHBondContact O-N 3.2Å; Y43-G47 PolarHBondContact O-N 3.09Å; Y43-K48 HydrophobicContact CD1-CD 4.43Å; Y43-K48 PolarHBondContact O-N 3.33Å; Y43-R51 HydrophobicContact CD1-CG 4.17Å; Y43-R51 HydrophobicContact CD2-CG 3.98Å; Y43-R51 HydrophobicContact CE1-CG 4.06Å; Y43-R51 HydrophobicContact CE2-CG 3.84Å; Y43-R51 HydrophobicContact CG-CG 4.14Å; Y43-R55 HydrophobicContact CE2-CB 4.42Å; Y43-R55 HydrophobicContact CE2-CG 4.31Å |
| 44 | L | 95.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 175.7 | -66.1 | 179.5 | 0 | 0 | 0 | 110.8 | I40 A41 A46 G47 A52 L166 A170 V175 Y177 | I40-L44 HydrophobicContact CG2-CD1 4.21Å; I40-L44 HydrophobicContact CG2-CG 4.32Å; I40-L44 WeakPolarHBondContact O-CG 3.43Å; I40-L44 PolarHBondContact O-N 2.98Å; A41-L44 PolarHBondContact O-N 3.47Å; L44-A46 PolarHBondContact O-N 3.48Å; L44-G47 PolarHBondContact O-N 3.32Å; L44-A52 HydrophobicContact CD2-CB 3.55Å; L44-A52 HydrophobicContact CG-CB 4.05Å; L44-L166 HydrophobicContact CD1-CD2 4.42Å; L44-L166 HydrophobicContact CD2-CD2 4.45Å; L44-A170 HydrophobicContact CD1-CB 4.02Å; L44-V175 HydrophobicContact CB-CG1 3.78Å; L44-Y177 HydrophobicContact CD1-CD2 4.47Å; L44-Y177 HydrophobicContact CD1-CG 4.48Å; L44-Y177 HydrophobicContact CD2-CD2 3.58Å; L44-Y177 HydrophobicContact CD2-CE2 3.85Å; L44-Y177 HydrophobicContact CD2-CG 4.36Å |
| 45 | A | 94.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 65.7 Ų | 65.7 | 58% | 0.579 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.2 | -28.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A41 G47 V175 | A41-A45 WeakPolarHBondContact O-CB 3.45Å; A41-A45 PolarHBondContact O-N 3.2Å; A45-G47 VanDerWaalsContact C-N 3.31Å; A45-V175 HydrophobicContact CB-CG1 3.94Å; A45-V175 HydrophobicContact CB-CG2 4.38Å |
| 46 | A | 95.3 | Very high | 94.8 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 51% | 0.512 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | D42 Y43 L44 K48 | D42-A46 WeakPolarHBondContact O-CB 3.37Å; D42-A46 PolarHBondContact O-N 3.29Å; D42-A46 VanDerWaalsContact O-N 3.11Å; Y43-A46 CarbonylContact O-C 3.6Å; Y43-A46 PolarHBondContact O-N 3.2Å; L44-A46 PolarHBondContact O-N 3.48Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 HydrophobicContact CB-CD 4.36Å; A46-K48 HydrophobicContact CB-CG 4.27Å; A46-K48 PolarHBondContact O-N 3.02Å |
| 47 | G | 92.7 | Very high | 94.8 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 26.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y43 L44 A45 | Y43-G47 PolarHBondContact O-N 3.09Å; L44-G47 PolarHBondContact O-N 3.32Å; A45-G47 VanDerWaalsContact C-N 3.31Å |
| 48 | K | 95.2 | Very high | 94.7 | Very high | 121 Ų | 121 | 63.5 Ų | 63.5 | 53% | 0.526 | 33% | 0.325 | S | S | . | . | trans | -101.2 | 58.8 | -178.1 | -63.9 | -179.9 | -178.6 | 173.7 | 0 | 111.5 | Y43 A46 E50 R51 A52 | Y43-K48 HydrophobicContact CD1-CD 4.43Å; Y43-K48 PolarHBondContact O-N 3.33Å; A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 HydrophobicContact CB-CD 4.36Å; A46-K48 HydrophobicContact CB-CG 4.27Å; A46-K48 PolarHBondContact O-N 3.02Å; K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.45Å; K48-R51 HydrophobicContact CB-CB 4.15Å; K48-R51 WeakPolarHBondContact O-CB 3.43Å; K48-R51 PolarHBondContact O-N 3.33Å; K48-R51 VanDerWaalsContact O-N 3.09Å; K48-A52 PolarHBondContact O-N 2.88Å | ||
| 49 | D | 92.3 | Very high | 94.7 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | -169.9 | -57 | -18.5 | 0 | 0 | 0 | 113.2 | R51 A52 R53 | D49-R51 VanDerWaalsContact C-N 3.29Å; D49-R51 PolarHBondContact O-N 3.48Å; D49-A52 WeakPolarHBondContact O-CB 3.38Å; D49-A52 PolarHBondContact O-N 3.44Å; D49-A52 VanDerWaalsContact O-N 3.1Å; D49-R53 PolarHBondContact O-N 3.34Å |
| 50 | E | 92.3 | Very high | 94.6 | Very high | 118 Ų | 118 | 54 Ų | 54 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65 | -36.4 | 178.8 | -168 | 57.2 | -156.6 | 0 | 0 | 112.2 | K48 A52 R53 I54 | K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.45Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-R53 PolarHBondContact O-N 3.44Å; E50-R53 IonicContact OE2-NH1 2.74Å; E50-R53 PolarHBondContact OE2-NH1 3.08Å; E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.27Å |
| 51 | R | 94.1 | Very high | 94.5 | Very high | 136 Ų | 136 | 59.6 Ų | 59.6 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 174.3 | -177.2 | 60.2 | 175.9 | -174.7 | 1.4 | 111 | Y43 K48 D49 R55 | Y43-R51 HydrophobicContact CD1-CG 4.17Å; Y43-R51 HydrophobicContact CD2-CG 3.98Å; Y43-R51 HydrophobicContact CE1-CG 4.06Å; Y43-R51 HydrophobicContact CE2-CG 3.84Å; Y43-R51 HydrophobicContact CG-CG 4.14Å; K48-R51 HydrophobicContact CB-CB 4.15Å; K48-R51 WeakPolarHBondContact O-CB 3.43Å; K48-R51 PolarHBondContact O-N 3.33Å; K48-R51 VanDerWaalsContact O-N 3.09Å; D49-R51 VanDerWaalsContact C-N 3.29Å; D49-R51 PolarHBondContact O-N 3.48Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 3.4Å |
| 52 | A | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I40 L44 K48 D49 E50 R55 V56 L166 | I40-A52 HydrophobicContact CG2-CB 4.17Å; L44-A52 HydrophobicContact CD2-CB 3.55Å; L44-A52 HydrophobicContact CG-CB 4.05Å; K48-A52 PolarHBondContact O-N 2.88Å; D49-A52 WeakPolarHBondContact O-CB 3.38Å; D49-A52 PolarHBondContact O-N 3.44Å; D49-A52 VanDerWaalsContact O-N 3.1Å; E50-A52 VanDerWaalsContact C-N 3.34Å; A52-R55 PolarHBondContact O-N 3.29Å; A52-V56 WeakPolarHBondContact O-CB 3.32Å; A52-V56 PolarHBondContact O-N 3.47Å; A52-L166 HydrophobicContact CB-CD2 4.03Å |
| 53 | R | 93.5 | Very high | 94.3 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 20% | 0.2 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 174.9 | -73.3 | -175.6 | -168.7 | 103.8 | 7.8 | 112.5 | D49 E50 R55 V56 E57 V162 E163 L166 | D49-R53 PolarHBondContact O-N 3.34Å; E50-R53 PolarHBondContact O-N 3.44Å; E50-R53 IonicContact OE2-NH1 2.74Å; E50-R53 PolarHBondContact OE2-NH1 3.08Å; R53-R55 VanDerWaalsContact C-N 3.26Å; R53-R55 PolarHBondContact O-N 3.17Å; R53-V56 VanDerWaalsContact O-CG1 3.29Å; R53-V56 WeakPolarHBondContact O-CG1 3.4Å; R53-V56 PolarHBondContact O-N 3.28Å; R53-E57 PolarHBondContact O-N 3.39Å; R53-V162 HydrophobicContact CB-CG1 4.3Å; R53-V162 HydrophobicContact CG-CG1 4.21Å; R53-E163 IonicContact CZ-OE1 3.67Å; R53-E163 IonicContact NE-OE1 3.52Å; R53-E163 PolarHBondContact NE-OE1 3.08Å; R53-E163 IonicContact NH2-OE1 2.92Å; R53-L166 HydrophobicContact CB-CD1 4.43Å; R53-L166 HydrophobicContact CG-CD1 3.56Å |
| 54 | I | 93.5 | Very high | 94.2 | Very high | 91 Ų | 91 | 56.6 Ų | 56.6 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 178.4 | -63.4 | 168 | 0 | 0 | 0 | 110.9 | E50 | E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.27Å |
| 55 | R | 94.7 | Very high | 94.2 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 25% | 0.253 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.4 | -37.4 | 179 | -172.9 | 57.7 | 169.7 | 151.2 | -0.1 | 111.9 | E39 I40 Y43 R51 A52 R53 H58 I59 | E39-R55 IonicContact OE2-CZ 3.79Å; E39-R55 IonicContact OE2-NE 3.17Å; E39-R55 IonicContact OE2-NH2 3.05Å; E39-R55 PolarHBondContact OE2-NH2 3.05Å; I40-R55 HydrophobicContact CD1-CB 4.3Å; I40-R55 HydrophobicContact CD1-CG 4.03Å; I40-R55 HydrophobicContact CG1-CB 4.02Å; I40-R55 HydrophobicContact CG1-CG 3.63Å; Y43-R55 HydrophobicContact CE2-CB 4.42Å; Y43-R55 HydrophobicContact CE2-CG 4.31Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 3.4Å; A52-R55 PolarHBondContact O-N 3.29Å; R53-R55 VanDerWaalsContact C-N 3.26Å; R53-R55 PolarHBondContact O-N 3.17Å; R55-H58 PolarHBondContact NH1-CD2 3.05Å; R55-H58 WeakPolarHBondContact O-CB 3.45Å; R55-H58 PolarHBondContact O-N 3.09Å; R55-I59 PolarHBondContact O-N 3.43Å |
| 56 | V | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.5 | -34.1 | -178.7 | 86.4 | 0 | 0 | 0 | 0 | 112.3 | I40 A52 R53 H58 I59 I60 V162 Y165 L166 I169 | I40-V56 HydrophobicContact CD1-CB 3.7Å; I40-V56 HydrophobicContact CD1-CG2 3.81Å; A52-V56 WeakPolarHBondContact O-CB 3.32Å; A52-V56 PolarHBondContact O-N 3.47Å; R53-V56 VanDerWaalsContact O-CG1 3.29Å; R53-V56 WeakPolarHBondContact O-CG1 3.4Å; R53-V56 PolarHBondContact O-N 3.28Å; V56-H58 PolarHBondContact O-N 3.23Å; V56-I59 WeakPolarHBondContact O-CA 3.15Å; V56-I59 PolarHBondContact O-N 3.25Å; V56-I60 HydrophobicContact CG1-CD1 4.42Å; V56-I60 WeakPolarHBondContact O-CG1 3.45Å; V56-I60 PolarHBondContact O-N 3.05Å; V56-V162 HydrophobicContact CG1-CB 4.19Å; V56-V162 HydrophobicContact CG1-CG1 3.58Å; V56-V162 HydrophobicContact CG1-CG2 4.3Å; V56-Y165 HydrophobicContact CG2-CD1 3.96Å; V56-Y165 HydrophobicContact CG2-CG 4.2Å; V56-L166 HydrophobicContact CB-CD2 3.97Å; V56-L166 HydrophobicContact CB-CG 4.41Å; V56-L166 HydrophobicContact CG1-CD1 4.38Å; V56-L166 HydrophobicContact CG1-CD2 4.06Å; V56-L166 HydrophobicContact CG1-CG 4.01Å; V56-L166 HydrophobicContact CG2-CD2 4.23Å; V56-I169 HydrophobicContact CG2-CD1 3.95Å |
| 57 | E | 94.4 | Very high | 94.2 | Very high | 63 Ų | 63 | 53 Ų | 53 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.3 | -33.7 | 172.4 | -74.4 | -179.6 | -155.6 | 0 | 0 | 112.8 | R53 R61 V162 | R53-E57 PolarHBondContact O-N 3.39Å; E57-R61 WeakPolarHBondContact O-CG 3.31Å; E57-R61 PolarHBondContact O-N 3.13Å; E57-R61 PolarHBondContact O-NE 3.01Å; E57-V162 HydrophobicContact CG-CG2 3.66Å |
| 58 | H | 93.7 | Very high | 94.3 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.6 | -40.9 | 174.2 | -178.6 | 70.3 | 0 | 0 | 0 | 111.5 | R55 V56 R61 E62 | R55-H58 PolarHBondContact NH1-CD2 3.05Å; R55-H58 WeakPolarHBondContact O-CB 3.45Å; R55-H58 PolarHBondContact O-N 3.09Å; V56-H58 PolarHBondContact O-N 3.23Å; H58-R61 PolarHBondContact O-N 3.46Å; H58-E62 IonicContact CE1-OE1 2.92Å; H58-E62 PolarHBondContact CE1-OE1 3.28Å; H58-E62 IonicContact NE2-OE1 3.79Å; H58-E62 WeakPolarHBondContact O-CG 3.38Å; H58-E62 PolarHBondContact O-N 3.23Å |
| 59 | I | 95.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 176 | -60.5 | -168.1 | 0 | 0 | 0 | 111.1 | A36 R37 I40 R55 V56 R61 E62 D63 Y165 | A36-I59 VanDerWaalsContact C-CD1 3.41Å; A36-I59 HydrophobicContact CB-CD1 3.47Å; A36-I59 VanDerWaalsContact CB-CD1 3.47Å; A36-I59 HydrophobicContact CB-CG1 3.89Å; R37-I59 HydrophobicContact CB-CD1 4.44Å; R37-I59 HydrophobicContact CG-CD1 3.81Å; R37-I59 HydrophobicContact CG-CG2 4.16Å; I40-I59 HydrophobicContact CD1-CD1 3.25Å; I40-I59 HydrophobicContact CD1-CG1 4.03Å; I40-I59 HydrophobicContact CG1-CD1 4.1Å; R55-I59 PolarHBondContact O-N 3.43Å; V56-I59 WeakPolarHBondContact O-CA 3.15Å; V56-I59 PolarHBondContact O-N 3.25Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 2.85Å; I59-E62 PolarHBondContact O-N 3.07Å; I59-E62 VanDerWaalsContact O-N 3.09Å; I59-D63 PolarHBondContact O-N 2.76Å; I59-Y165 HydrophobicContact CG2-CE1 4.49Å |
| 60 | I | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -41.8 | 178.1 | -66.5 | 164.3 | 0 | 0 | 0 | 110.7 | V56 D63 Y64 P157 L161 V162 Y165 | V56-I60 HydrophobicContact CG1-CD1 4.42Å; V56-I60 WeakPolarHBondContact O-CG1 3.45Å; V56-I60 PolarHBondContact O-N 3.05Å; I60-D63 PolarHBondContact O-N 3.26Å; I60-Y64 HydrophobicContact CG2-CD2 4Å; I60-Y64 HydrophobicContact CG2-CE2 3.69Å; I60-Y64 WeakPolarHBondContact O-CD2 3.32Å; I60-Y64 PolarHBondContact O-N 3.3Å; I60-P157 HydrophobicContact CB-CG 4.19Å; I60-P157 HydrophobicContact CD1-CB 4.28Å; I60-P157 HydrophobicContact CG2-CB 3.96Å; I60-P157 HydrophobicContact CG2-CG 3.81Å; I60-L161 HydrophobicContact CD1-CG 4.28Å; I60-L161 HydrophobicContact CG2-CD2 3.87Å; I60-V162 HydrophobicContact CD1-CG2 3.87Å; I60-Y165 HydrophobicContact CD1-CD1 4.47Å; I60-Y165 HydrophobicContact CD1-CD2 4.01Å; I60-Y165 HydrophobicContact CD1-CE2 4.48Å; I60-Y165 HydrophobicContact CD1-CG 4.01Å; I60-Y165 HydrophobicContact CG1-CD1 3.81Å; I60-Y165 HydrophobicContact CG1-CD2 3.8Å; I60-Y165 HydrophobicContact CG1-CE1 3.85Å; I60-Y165 HydrophobicContact CG1-CE2 3.86Å; I60-Y165 HydrophobicContact CG1-CG 3.77Å |
| 61 | R | 93.4 | Very high | 94.7 | Very high | 118 Ų | 118 | 42.4 Ų | 42.4 | 45% | 0.445 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.5 | -39 | 176.3 | -76.3 | -177.3 | -75.5 | 175.2 | -8.1 | 113 | E57 H58 I59 L65 P157 | E57-R61 WeakPolarHBondContact O-CG 3.31Å; E57-R61 PolarHBondContact O-N 3.13Å; E57-R61 PolarHBondContact O-NE 3.01Å; H58-R61 PolarHBondContact O-N 3.46Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 2.85Å; R61-L65 WeakPolarHBondContact O-CB 3.38Å; R61-L65 PolarHBondContact O-N 2.71Å; R61-P157 HydrophobicContact CG-CG 4.42Å |
| 62 | E | 93.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 36 Ų | 36 | 20% | 0.201 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.2 | -36.8 | 175.5 | -66.6 | -69.5 | 159.1 | 0 | 0 | 111.6 | K29 H58 I59 L65 V66 | K29-E62 WeakPolarHBondContact CD-OE2 3.29Å; K29-E62 WeakPolarHBondContact CE-OE2 3.35Å; K29-E62 IonicContact NZ-OE1 3.76Å; K29-E62 IonicContact NZ-OE2 3.64Å; K29-E62 PolarHBondContact NZ-OE2 3.5Å; H58-E62 IonicContact CE1-OE1 2.92Å; H58-E62 PolarHBondContact CE1-OE1 3.28Å; H58-E62 IonicContact NE2-OE1 3.79Å; H58-E62 WeakPolarHBondContact O-CG 3.38Å; H58-E62 PolarHBondContact O-N 3.23Å; I59-E62 PolarHBondContact O-N 3.07Å; I59-E62 VanDerWaalsContact O-N 3.09Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 3.46Å; E62-V66 WeakPolarHBondContact O-CG2 3.47Å; E62-V66 PolarHBondContact O-N 3.19Å |
| 63 | D | 94.7 | Very high | 94.9 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -46.7 | 174.7 | -72.3 | -8.9 | 0 | 0 | 0 | 111 | R37 I59 I60 L65 V66 E67 Y165 | R37-D63 IonicContact CZ-OD2 2.76Å; R37-D63 VanDerWaalsContact NH2-CG 3.29Å; R37-D63 IonicContact NH2-OD1 3.19Å; R37-D63 PolarHBondContact NH2-OD1 3.14Å; R37-D63 IonicContact NH2-OD2 2.75Å; R37-D63 PolarHBondContact NH2-OD2 3.31Å; I59-D63 PolarHBondContact O-N 2.76Å; I60-D63 PolarHBondContact O-N 3.26Å; D63-L65 PolarHBondContact O-N 3.35Å; D63-V66 PolarHBondContact O-N 3.49Å; D63-V66 VanDerWaalsContact O-N 3.12Å; D63-E67 PolarHBondContact O-N 3.2Å; D63-Y165 VanDerWaalsContact OD2-CE1 3.3Å; D63-Y165 WeakPolarHBondContact OD2-CE1 3.47Å; D63-Y165 PolarHBondContact OD2-OH 2.95Å |
| 64 | Y | 95.1 | Very high | 95.1 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -35.4 | 173.3 | -77.6 | -36.7 | 0 | 0 | 0 | 113 | I60 A68 K151 L161 I196 | I60-Y64 HydrophobicContact CG2-CD2 4Å; I60-Y64 HydrophobicContact CG2-CE2 3.69Å; I60-Y64 WeakPolarHBondContact O-CD2 3.32Å; I60-Y64 PolarHBondContact O-N 3.3Å; Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.31Å; Y64-A68 PolarHBondContact O-N 3.45Å; Y64-K151 HydrophobicContact CD1-CG 4Å; Y64-L161 HydrophobicContact CE2-CD2 4.45Å; Y64-L161 VanDerWaalsContact OH-CD2 3.3Å; Y64-L161 WeakPolarHBondContact OH-CD2 3.42Å; Y64-I196 HydrophobicContact CD1-CD1 4.15Å; Y64-I196 HydrophobicContact CE1-CD1 3.92Å |
| 65 | L | 93.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 15% | 0.147 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 176.2 | -178 | 66.4 | 0 | 0 | 0 | 111.1 | K29 R61 E62 D63 A68 M69 L110 L152 | K29-L65 HydrophobicContact CD-CD2 4.47Å; R61-L65 WeakPolarHBondContact O-CB 3.38Å; R61-L65 PolarHBondContact O-N 2.71Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 3.46Å; D63-L65 PolarHBondContact O-N 3.35Å; L65-A68 PolarHBondContact O-N 3.34Å; L65-M69 HydrophobicContact CD1-CE 4.07Å; L65-M69 HydrophobicContact CD2-CE 3.79Å; L65-M69 HydrophobicContact CG-CE 3.58Å; L65-M69 WeakPolarHBondContact O-CG 3.5Å; L65-M69 PolarHBondContact O-N 2.91Å; L65-L110 HydrophobicContact CD1-CD2 3.46Å; L65-L110 VanDerWaalsContact CD1-CD2 3.46Å; L65-L152 HydrophobicContact CD1-CD2 3.86Å |
| 66 | V | 95.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -50.8 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | E26 K29 E62 D63 A68 M69 E70 | E26-V66 HydrophobicContact CB-CG1 4.4Å; E26-V66 HydrophobicContact CG-CG1 4.38Å; K29-V66 HydrophobicContact CB-CG2 3.48Å; K29-V66 VanDerWaalsContact CB-CG2 3.48Å; K29-V66 HydrophobicContact CG-CG2 4.48Å; E62-V66 WeakPolarHBondContact O-CG2 3.47Å; E62-V66 PolarHBondContact O-N 3.19Å; D63-V66 PolarHBondContact O-N 3.49Å; D63-V66 VanDerWaalsContact O-N 3.12Å; V66-A68 VanDerWaalsContact C-N 3.26Å; V66-A68 PolarHBondContact O-N 3.18Å; V66-M69 WeakPolarHBondContact O-CA 3.41Å; V66-M69 WeakPolarHBondContact O-CB 3.48Å; V66-M69 PolarHBondContact O-N 3.36Å; V66-E70 PolarHBondContact O-N 3.25Å |
| 67 | E | 94.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -35.5 | 177.3 | -72 | -175.9 | -81.2 | 0 | 0 | 112.7 | D63 M69 E70 I71 K151 I196 | D63-E67 PolarHBondContact O-N 3.2Å; E67-M69 VanDerWaalsContact C-N 3.34Å; E67-E70 PolarHBondContact O-N 3.22Å; E67-I71 WeakPolarHBondContact O-CG1 3.48Å; E67-I71 PolarHBondContact O-N 3.02Å; E67-K151 HydrophobicContact CB-CD 3.79Å; E67-K151 IonicContact OE1-NZ 3.7Å; E67-K151 PolarHBondContact OE1-NZ 2.97Å; E67-K151 VanDerWaalsContact OE2-CE 3.26Å; E67-K151 WeakPolarHBondContact OE2-CE 3.41Å; E67-K151 IonicContact OE2-NZ 2.71Å; E67-K151 PolarHBondContact OE2-NZ 3.39Å; E67-I196 VanDerWaalsContact CD-CG2 3.49Å; E67-I196 HydrophobicContact CG-CG2 4.19Å; E67-I196 WeakPolarHBondContact OE1-CD1 3.4Å; E67-I196 VanDerWaalsContact OE1-CG1 3.25Å; E67-I196 WeakPolarHBondContact OE1-CG1 3.4Å |
| 68 | A | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -35.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y64 L65 V66 L72 K151 L152 | Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.31Å; Y64-A68 PolarHBondContact O-N 3.45Å; L65-A68 PolarHBondContact O-N 3.34Å; V66-A68 VanDerWaalsContact C-N 3.26Å; V66-A68 PolarHBondContact O-N 3.18Å; A68-L72 VanDerWaalsContact O-CG 3.31Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 3.29Å; A68-L72 VanDerWaalsContact O-N 3.13Å; A68-K151 HydrophobicContact CB-CB 4.17Å; A68-L152 HydrophobicContact CB-CD1 4.37Å; A68-L152 HydrophobicContact CB-CD2 3.6Å; A68-L152 HydrophobicContact CB-CG 3.77Å |
| 69 | M | 95.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 173.9 | -70.6 | -166.8 | -146.8 | 0 | 0 | 111.4 | L22 L25 E26 L65 V66 E67 I71 L72 E73 | L22-M69 HydrophobicContact CD2-CB 3.85Å; L22-M69 HydrophobicContact CD2-CG 3.79Å; L22-M69 HydrophobicContact CD2-SD 4.05Å; L25-M69 HydrophobicContact CB-CE 4.28Å; L25-M69 HydrophobicContact CB-SD 3.62Å; L25-M69 HydrophobicContact CD1-SD 4.13Å; E26-M69 HydrophobicContact CG-CB 3.75Å; E26-M69 VanDerWaalsContact OE1-C 3.25Å; L65-M69 HydrophobicContact CD1-CE 4.07Å; L65-M69 HydrophobicContact CD2-CE 3.79Å; L65-M69 HydrophobicContact CG-CE 3.58Å; L65-M69 WeakPolarHBondContact O-CG 3.5Å; L65-M69 PolarHBondContact O-N 2.91Å; V66-M69 WeakPolarHBondContact O-CA 3.41Å; V66-M69 WeakPolarHBondContact O-CB 3.48Å; V66-M69 PolarHBondContact O-N 3.36Å; E67-M69 VanDerWaalsContact C-N 3.34Å; M69-I71 PolarHBondContact O-N 2.75Å; M69-L72 CarbonylContact O-C 3.53Å; M69-L72 WeakPolarHBondContact O-CB 3.49Å; M69-L72 PolarHBondContact O-N 2.93Å; M69-L72 VanDerWaalsContact O-N 3.09Å; M69-E73 PolarHBondContact O-N 2.65Å |
| 70 | E | 95.7 | Very high | 95.7 | Very high | 101 Ų | 101 | 36.1 Ų | 36.1 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 177.9 | -66.4 | 173.2 | 158.3 | 0 | 0 | 111.9 | E26 V66 E67 L72 E73 L74 | E26-E70 HydrophobicContact CG-CG 4.3Å; E26-E70 PolarHBondContact OE1-N 3.03Å; V66-E70 PolarHBondContact O-N 3.25Å; E67-E70 PolarHBondContact O-N 3.22Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.16Å; E70-E73 WeakPolarHBondContact O-CB 3.49Å; E70-E73 PolarHBondContact O-N 2.89Å; E70-L74 PolarHBondContact O-N 3.13Å |
| 71 | I | 96.6 | Very high | 95.8 | Very high | 29 Ų | 29 | 40 Ų | 40 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 174.8 | -65.7 | 168.2 | 0 | 0 | 0 | 110.7 | E67 M69 L74 Y75 R147 L148 K151 | E67-I71 WeakPolarHBondContact O-CG1 3.48Å; E67-I71 PolarHBondContact O-N 3.02Å; M69-I71 PolarHBondContact O-N 2.75Å; I71-L74 PolarHBondContact O-N 3.18Å; I71-Y75 HydrophobicContact CG2-CD2 3.93Å; I71-Y75 HydrophobicContact CG2-CE2 3.44Å; I71-Y75 VanDerWaalsContact CG2-CE2 3.44Å; I71-Y75 VanDerWaalsContact O-CD2 3.31Å; I71-Y75 WeakPolarHBondContact O-CD2 3.29Å; I71-Y75 PolarHBondContact O-N 3.22Å; I71-Y75 VanDerWaalsContact O-N 3.14Å; I71-R147 HydrophobicContact CD1-CG 4.22Å; I71-L148 HydrophobicContact CB-CD1 4.08Å; I71-L148 HydrophobicContact CD1-CB 4.42Å; I71-L148 HydrophobicContact CG2-CB 4.24Å; I71-L148 HydrophobicContact CG2-CD1 3.68Å; I71-K151 HydrophobicContact CD1-CD 4.16Å |
| 72 | L | 96.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.5 | -36.8 | 177.4 | -69.3 | 171.3 | 0 | 0 | 0 | 112.4 | L22 A68 M69 E70 L74 Y75 C76 T102 L103 A106 L110 L117 L148 | L22-L72 HydrophobicContact CD1-CB 4.03Å; A68-L72 VanDerWaalsContact O-CG 3.31Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 3.29Å; A68-L72 VanDerWaalsContact O-N 3.13Å; M69-L72 CarbonylContact O-C 3.53Å; M69-L72 WeakPolarHBondContact O-CB 3.49Å; M69-L72 PolarHBondContact O-N 2.93Å; M69-L72 VanDerWaalsContact O-N 3.09Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.16Å; L72-L74 VanDerWaalsContact C-N 3.33Å; L72-Y75 PolarHBondContact O-N 3.09Å; L72-C76 PolarHBondContact O-N 3.42Å; L72-C76 PolarHBondContact O-SG 3.13Å; L72-T102 HydrophobicContact CD2-CG2 4.3Å; L72-L103 HydrophobicContact CD2-CD2 3.91Å; L72-A106 HydrophobicContact CD1-CB 3.92Å; L72-A106 HydrophobicContact CD2-CB 3.67Å; L72-A106 HydrophobicContact CG-CB 4.45Å; L72-L110 HydrophobicContact CD1-CD1 3.17Å; L72-L117 HydrophobicContact CD1-CD2 4.5Å; L72-L148 HydrophobicContact CD1-CD1 4.4Å; L72-L148 HydrophobicContact CD2-CD1 3.55Å; L72-L148 HydrophobicContact CG-CD1 3.63Å |
| 73 | E | 96.5 | Very high | 96 | Very high | 36 Ų | 36 | 38 Ų | 38 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -50.5 | 173.8 | -173.9 | -170.3 | 140.2 | 0 | 0 | 109.8 | I19 L22 K23 M69 E70 Y75 C76 D77 | I19-E73 HydrophobicContact CG1-CG 4.34Å; I19-E73 HydrophobicContact CG2-CG 4.05Å; L22-E73 HydrophobicContact CD1-CB 4.09Å; K23-E73 WeakPolarHBondContact CE-OE1 3.19Å; K23-E73 WeakPolarHBondContact CE-OE2 3.31Å; K23-E73 WeakPolarHBondContact CG-OE2 3.31Å; K23-E73 IonicContact NZ-OE1 3.12Å; K23-E73 PolarHBondContact NZ-OE1 2.96Å; K23-E73 VanDerWaalsContact NZ-OE1 3.12Å; M69-E73 PolarHBondContact O-N 2.65Å; E70-E73 WeakPolarHBondContact O-CB 3.49Å; E70-E73 PolarHBondContact O-N 2.89Å; E73-Y75 VanDerWaalsContact C-N 3.29Å; E73-Y75 PolarHBondContact O-N 3.46Å; E73-C76 WeakPolarHBondContact O-CB 3.46Å; E73-C76 PolarHBondContact O-N 3.42Å; E73-D77 PolarHBondContact O-N 2.86Å |
| 74 | L | 97.3 | Very high | 96 | Very high | 117 Ų | 117 | 39.5 Ų | 39.5 | 61% | 0.613 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -55.2 | -44.4 | 178 | 177.4 | 65 | 0 | 0 | 0 | 111.7 | E70 I71 L72 D77 L78 | E70-L74 PolarHBondContact O-N 3.13Å; I71-L74 PolarHBondContact O-N 3.18Å; L72-L74 VanDerWaalsContact C-N 3.33Å; L74-D77 PolarHBondContact O-N 3.26Å; L74-L78 WeakPolarHBondContact O-CB 3.41Å; L74-L78 PolarHBondContact O-N 3.14Å |
| 75 | Y | 97.6 | Very high | 95.8 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 8% | 0.078 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -37.2 | 176.6 | -70.7 | -42.4 | 0 | 0 | 0 | 113.3 | I71 L72 E73 D77 L78 L79 E98 A99 T102 N145 | I71-Y75 HydrophobicContact CG2-CD2 3.93Å; I71-Y75 HydrophobicContact CG2-CE2 3.44Å; I71-Y75 VanDerWaalsContact CG2-CE2 3.44Å; I71-Y75 VanDerWaalsContact O-CD2 3.31Å; I71-Y75 WeakPolarHBondContact O-CD2 3.29Å; I71-Y75 PolarHBondContact O-N 3.22Å; I71-Y75 VanDerWaalsContact O-N 3.14Å; L72-Y75 PolarHBondContact O-N 3.09Å; E73-Y75 VanDerWaalsContact C-N 3.29Å; E73-Y75 PolarHBondContact O-N 3.46Å; Y75-D77 VanDerWaalsContact C-N 3.31Å; Y75-L78 HydrophobicContact CD1-CD2 4.44Å; Y75-L78 PolarHBondContact O-N 3.3Å; Y75-L79 WeakPolarHBondContact O-CG 3.5Å; Y75-L79 PolarHBondContact O-N 3.43Å; Y75-E98 PolarHBondContact OH-OE1 2.98Å; Y75-A99 HydrophobicContact CD1-CB 3.53Å; Y75-A99 HydrophobicContact CE1-CB 4.28Å; Y75-A99 HydrophobicContact CG-CB 3.91Å; Y75-T102 HydrophobicContact CD2-CG2 3.97Å; Y75-T102 HydrophobicContact CE2-CG2 3.74Å; Y75-N145 HydrophobicContact CE2-CB 4.15Å; Y75-N145 VanDerWaalsContact OH-CB 3.31Å; Y75-N145 WeakPolarHBondContact OH-CB 3.36Å; Y75-N145 VanDerWaalsContact OH-CG 3.31Å; Y75-N145 PolarHBondContact OH-ND2 3.17Å |
| 76 | C | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 174.8 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | L15 I19 L72 E73 L79 L80 L103 | L15-C76 HydrophobicContact CD2-CB 4.11Å; I19-C76 HydrophobicContact CD1-CB 3.93Å; I19-C76 HydrophobicContact CG1-CB 3.55Å; L72-C76 PolarHBondContact O-N 3.42Å; L72-C76 PolarHBondContact O-SG 3.13Å; E73-C76 WeakPolarHBondContact O-CB 3.46Å; E73-C76 PolarHBondContact O-N 3.42Å; C76-L79 PolarHBondContact O-N 3.45Å; C76-L80 PolarHBondContact O-N 3.36Å; C76-L103 WeakPolarHBondContact SG-CD2 3.3Å |
| 77 | D | 97.2 | Very high | 95.5 | Very high | 90 Ų | 90 | 43.8 Ų | 43.8 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.9 | -41 | 177.5 | -162.7 | 44.7 | 0 | 0 | 0 | 111.5 | I19 E73 L74 Y75 L79 L80 A81 | I19-D77 HydrophobicContact CD1-CB 4.21Å; E73-D77 PolarHBondContact O-N 2.86Å; L74-D77 PolarHBondContact O-N 3.26Å; Y75-D77 VanDerWaalsContact C-N 3.31Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.46Å; D77-L80 PolarHBondContact O-N 2.93Å; D77-L80 VanDerWaalsContact O-N 3.11Å; D77-A81 WeakPolarHBondContact O-CB 3.25Å; D77-A81 PolarHBondContact O-N 3.13Å |
| 78 | L | 96.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 172.6 | 176.3 | 61.8 | 0 | 0 | 0 | 112.1 | L74 Y75 L80 A81 R82 L96 A99 | L74-L78 WeakPolarHBondContact O-CB 3.41Å; L74-L78 PolarHBondContact O-N 3.14Å; Y75-L78 HydrophobicContact CD1-CD2 4.44Å; Y75-L78 PolarHBondContact O-N 3.3Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-L80 PolarHBondContact O-N 3.47Å; L78-A81 PolarHBondContact O-N 3.43Å; L78-R82 HydrophobicContact CD1-CG 4.48Å; L78-R82 PolarHBondContact O-N 3.3Å; L78-L96 HydrophobicContact CG-CD2 4.24Å; L78-A99 HydrophobicContact CD2-CB 4.07Å |
| 79 | L | 96 | Very high | 95 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 176.9 | -67.5 | -160.5 | 0 | 0 | 0 | 112.2 | L15 Y75 C76 D77 R82 F83 I86 L96 A99 V100 L103 L124 | L15-L79 HydrophobicContact CD1-CB 4.03Å; L15-L79 HydrophobicContact CD2-CB 4.46Å; L15-L79 HydrophobicContact CD2-CD1 4.41Å; Y75-L79 WeakPolarHBondContact O-CG 3.5Å; Y75-L79 PolarHBondContact O-N 3.43Å; C76-L79 PolarHBondContact O-N 3.45Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.46Å; L79-R82 CarbonylContact O-C 2.95Å; L79-F83 VanDerWaalsContact O-CA 3.28Å; L79-F83 WeakPolarHBondContact O-CA 3.47Å; L79-F83 WeakPolarHBondContact O-CB 3.42Å; L79-F83 PolarHBondContact O-N 3.1Å; L79-I86 HydrophobicContact CB-CD1 4.01Å; L79-I86 HydrophobicContact CD2-CD1 4.02Å; L79-I86 HydrophobicContact CG-CD1 4.39Å; L79-L96 HydrophobicContact CD2-CB 4.41Å; L79-L96 HydrophobicContact CD2-CD2 3.98Å; L79-A99 HydrophobicContact CD2-CB 3.85Å; L79-A99 HydrophobicContact CG-CB 4.37Å; L79-V100 HydrophobicContact CD1-CG2 4.15Å; L79-V100 HydrophobicContact CD2-CG2 3.89Å; L79-L103 HydrophobicContact CD1-CD1 3.43Å; L79-L103 VanDerWaalsContact CD1-CD1 3.43Å; L79-L103 HydrophobicContact CG-CD1 4.06Å; L79-L124 HydrophobicContact CD1-CD1 4.12Å; L79-L124 HydrophobicContact CD1-CD2 4.27Å |
| 80 | L | 96.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.7 | -43.7 | 175 | -78.8 | 178.4 | 0 | 0 | 0 | 112.2 | R12 L15 R16 I19 C76 D77 L78 R82 F83 | R12-L80 HydrophobicContact CG-CD2 4Å; L15-L80 HydrophobicContact CB-CD1 4.11Å; L15-L80 HydrophobicContact CB-CD2 3.77Å; L15-L80 HydrophobicContact CB-CG 3.81Å; L15-L80 HydrophobicContact CD1-CD2 3.94Å; L15-L80 HydrophobicContact CD1-CG 4.13Å; R16-L80 HydrophobicContact CG-CD1 3.7Å; R16-L80 HydrophobicContact CG-CD2 4.31Å; I19-L80 HydrophobicContact CD1-CD1 3.47Å; I19-L80 VanDerWaalsContact CD1-CD1 3.47Å; C76-L80 PolarHBondContact O-N 3.36Å; D77-L80 PolarHBondContact O-N 2.93Å; D77-L80 VanDerWaalsContact O-N 3.11Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-L80 PolarHBondContact O-N 3.47Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.05Å; L80-F83 VanDerWaalsContact O-CB 3.28Å; L80-F83 WeakPolarHBondContact O-CB 3.49Å; L80-F83 PolarHBondContact O-N 3.45Å |
| 81 | A | 97 | Very high | 94.2 | Very high | 81 Ų | 81 | 63.3 Ų | 63.3 | 67% | 0.669 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.5 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D77 L78 | D77-A81 WeakPolarHBondContact O-CB 3.25Å; D77-A81 PolarHBondContact O-N 3.13Å; L78-A81 PolarHBondContact O-N 3.43Å |
| 82 | R | 95.3 | Very high | 93.9 | Very high | 116 Ų | 116 | 64 Ų | 64 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 23.2 | 179.2 | -64.8 | -171.6 | 178.6 | -170.2 | 5.6 | 113.7 | L78 L79 L80 G84 L85 L96 | L78-R82 HydrophobicContact CD1-CG 4.48Å; L78-R82 PolarHBondContact O-N 3.3Å; L79-R82 CarbonylContact O-C 2.95Å; L80-R82 VanDerWaalsContact C-N 3.26Å; L80-R82 PolarHBondContact O-N 3.05Å; R82-G84 PolarHBondContact O-N 2.86Å; R82-G84 VanDerWaalsContact O-N 3.12Å; R82-L85 HydrophobicContact CB-CD1 4.36Å; R82-L85 WeakPolarHBondContact O-CB 3.19Å; R82-L85 PolarHBondContact O-N 2.93Å; R82-L96 HydrophobicContact CB-CD1 4.32Å; R82-L96 HydrophobicContact CB-CD2 3.95Å; R82-L96 HydrophobicContact CG-CD2 4.44Å |
| 83 | F | 95.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.4 | -30 | -174.3 | -164.4 | -94.3 | 0 | 0 | 0 | 113.8 | A8 L11 R12 L15 L79 L80 L85 I86 Q87 | A8-F83 HydrophobicContact CB-CE1 4.2Å; A8-F83 HydrophobicContact CB-CZ 4.13Å; A8-F83 WeakPolarHBondContact O-CZ 3.38Å; L11-F83 HydrophobicContact CB-CE2 4.26Å; L11-F83 HydrophobicContact CB-CZ 4.43Å; L11-F83 HydrophobicContact CD2-CE2 3.77Å; L11-F83 HydrophobicContact CD2-CZ 4.39Å; L11-F83 HydrophobicContact CG-CE2 3.89Å; R12-F83 HydrophobicContact CB-CD2 4.49Å; R12-F83 HydrophobicContact CB-CE1 4.16Å; R12-F83 HydrophobicContact CB-CE2 3.98Å; R12-F83 HydrophobicContact CB-CZ 3.82Å; L15-F83 HydrophobicContact CD1-CD2 4.36Å; L15-F83 HydrophobicContact CD1-CE2 4.38Å; L79-F83 VanDerWaalsContact O-CA 3.28Å; L79-F83 WeakPolarHBondContact O-CA 3.47Å; L79-F83 WeakPolarHBondContact O-CB 3.42Å; L79-F83 PolarHBondContact O-N 3.1Å; L80-F83 VanDerWaalsContact O-CB 3.28Å; L80-F83 WeakPolarHBondContact O-CB 3.49Å; L80-F83 PolarHBondContact O-N 3.45Å; F83-L85 VanDerWaalsContact C-N 3.27Å; F83-L85 PolarHBondContact O-N 2.96Å; F83-I86 HydrophobicContact CD2-CD1 4.41Å; F83-I86 PolarHBondContact O-N 3.43Å; F83-Q87 PolarHBondContact O-N 3.08Å |
| 84 | G | 93.9 | Very high | 93.4 | Very high | 47 Ų | 47 | 69.8 Ų | 69.8 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.9 | -35.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R82 S88 | R82-G84 PolarHBondContact O-N 2.86Å; R82-G84 VanDerWaalsContact O-N 3.12Å; G84-S88 WeakPolarHBondContact O-CB 3.27Å; G84-S88 PolarHBondContact O-N 3.38Å; G84-S88 PolarHBondContact O-OG 2.8Å |
| 85 | L | 92 | Very high | 93.1 | Very high | 60 Ų | 60 | 66 Ų | 66 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.7 | -44 | 175.9 | -65.2 | 176.1 | 0 | 0 | 0 | 111 | R82 F83 Q87 S88 M89 L96 | R82-L85 HydrophobicContact CB-CD1 4.36Å; R82-L85 WeakPolarHBondContact O-CB 3.19Å; R82-L85 PolarHBondContact O-N 2.93Å; F83-L85 VanDerWaalsContact C-N 3.27Å; F83-L85 PolarHBondContact O-N 2.96Å; L85-Q87 PolarHBondContact O-N 3.21Å; L85-S88 PolarHBondContact O-N 3.46Å; L85-M89 HydrophobicContact CD2-CE 3.58Å; L85-M89 HydrophobicContact CD2-SD 4.07Å; L85-M89 WeakPolarHBondContact O-CB 3.37Å; L85-M89 PolarHBondContact O-N 2.96Å; L85-L96 HydrophobicContact CB-CD1 4.4Å |
| 86 | I | 91.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 178 | -56.4 | 174.2 | 0 | 0 | 0 | 111 | F6 L11 L79 F83 L96 K127 | F6-I86 HydrophobicContact CZ-CG2 4.43Å; L11-I86 HydrophobicContact CD2-CG2 4.21Å; L79-I86 HydrophobicContact CB-CD1 4.01Å; L79-I86 HydrophobicContact CD2-CD1 4.02Å; L79-I86 HydrophobicContact CG-CD1 4.39Å; F83-I86 HydrophobicContact CD2-CD1 4.41Å; F83-I86 PolarHBondContact O-N 3.43Å; I86-L96 HydrophobicContact CD1-CD1 4.26Å; I86-L96 HydrophobicContact CG1-CD1 3.7Å; I86-K127 WeakPolarHBondContact O-CE 3.49Å; I86-K127 PolarHBondContact O-NZ 2.97Å |
| 87 | Q | 90.4 | Very high | 92.8 | Very high | 108 Ų | 108 | 65.9 Ų | 65.9 | 51% | 0.505 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76.5 | -45.8 | 179.5 | -171.6 | 172.2 | 0 | 0 | 0 | 112.6 | A8 F83 L85 | A8-Q87 HydrophobicContact CB-CG 4.34Å; F83-Q87 PolarHBondContact O-N 3.08Å; L85-Q87 PolarHBondContact O-N 3.21Å |
| 88 | S | 89.9 | Confident | 92.7 | Very high | 89 Ų | 89 | 65.7 Ų | 65.7 | 62% | 0.622 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -80.8 | -37.6 | -172.6 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | G84 L85 | G84-S88 WeakPolarHBondContact O-CB 3.27Å; G84-S88 PolarHBondContact O-N 3.38Å; G84-S88 PolarHBondContact O-OG 2.8Å; L85-S88 PolarHBondContact O-N 3.46Å |
| 89 | M | 90.3 | Very high | 92.7 | Very high | 88 Ų | 88 | 63.2 Ų | 63.2 | 43% | 0.433 | 36% | 0.355 | S | S | . | . | trans | -89.2 | 144.9 | -176.8 | -60.2 | -174.3 | 174.9 | 0 | 0 | 111.5 | L85 K127 | L85-M89 HydrophobicContact CD2-CE 3.58Å; L85-M89 HydrophobicContact CD2-SD 4.07Å; L85-M89 WeakPolarHBondContact O-CB 3.37Å; L85-M89 PolarHBondContact O-N 2.96Å; M89-K127 WeakPolarHBondContact O-CE 3.29Å; M89-K127 PolarHBondContact O-NZ 3.17Å | ||
| 90 | K | 86.7 | Confident | 92.7 | Very high | 191 Ų | 191 | 63.2 Ų | 63.2 | 83% | 0.83 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -87.8 | -32.3 | 173.8 | -69.5 | -177.5 | -178.8 | 177 | 0 | 111.9 | ||
| 91 | E | 88.6 | Confident | 92.7 | Very high | 166 Ų | 166 | 61.6 Ų | 61.6 | 78% | 0.776 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -88.9 | 155.8 | 178.6 | -63.4 | -176.7 | 175.3 | 0 | 0 | 110.8 | ||
| 92 | L | 89 | Confident | 92.7 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 120.9 | 178.2 | -179.8 | 62.3 | 0 | 0 | 0 | 109.4 | L96 A97 V100 Y128 Y132 | L92-L96 HydrophobicContact CD1-CB 4.28Å; L92-A97 HydrophobicContact CD2-CB 3.87Å; L92-A97 HydrophobicContact CG-CB 4.1Å; L92-V100 HydrophobicContact CD1-CB 4.08Å; L92-V100 HydrophobicContact CD1-CG1 4.31Å; L92-V100 HydrophobicContact CD1-CG2 3.81Å; L92-Y128 HydrophobicContact CB-CD1 3.81Å; L92-Y128 HydrophobicContact CB-CE1 3.71Å; L92-Y128 HydrophobicContact CD1-CD1 4.34Å; L92-Y128 HydrophobicContact CD1-CD2 4.3Å; L92-Y128 HydrophobicContact CD1-CE1 3.83Å; L92-Y128 HydrophobicContact CD1-CE2 3.79Å; L92-Y128 HydrophobicContact CG-CE1 4.36Å; L92-Y132 HydrophobicContact CD2-CE1 4.08Å; L92-Y132 HydrophobicContact CD2-CE2 3.86Å; L92-Y132 VanDerWaalsContact CD2-CZ 3.4Å; L92-Y132 WeakPolarHBondContact CD2-OH 3.38Å |
| 93 | D | 92.1 | Very high | 92.8 | Very high | 50 Ų | 50 | 52.2 Ų | 52.2 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 137.1 | 173.7 | -178.6 | -106.9 | 0 | 0 | 0 | 110.7 | G95 L96 A97 | D93-G95 PolarHBondContact O-N 3.4Å; D93-G95 WeakPolarHBondContact OD1-CA 3.03Å; D93-G95 PolarHBondContact OD1-N 2.82Å; D93-L96 HydrophobicContact CB-CB 4.35Å; D93-L96 HydrophobicContact CB-CD1 4.24Å; D93-L96 HydrophobicContact CB-CG 4.17Å; D93-L96 CarbonylContact O-C 3.59Å; D93-L96 PolarHBondContact O-N 3.46Å; D93-A97 PolarHBondContact O-N 3.34Å |
| 94 | S | 90.4 | Very high | 92.8 | Very high | 110 Ų | 110 | 52 Ų | 52 | 77% | 0.769 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.8 | -35.2 | -179.2 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | L96 A97 | S94-L96 PolarHBondContact O-N 3.35Å; S94-A97 PolarHBondContact O-N 3.12Å |
| 95 | G | 91.4 | Very high | 92.9 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -76.3 | -9.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D93 | D93-G95 PolarHBondContact O-N 3.4Å; D93-G95 WeakPolarHBondContact OD1-CA 3.03Å; D93-G95 PolarHBondContact OD1-N 2.82Å |
| 96 | L | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -106.8 | -12.6 | 174.2 | -61 | -177.1 | 0 | 0 | 0 | 112.5 | L78 L79 R82 L85 I86 L92 D93 S94 E98 A99 V100 | L78-L96 HydrophobicContact CG-CD2 4.24Å; L79-L96 HydrophobicContact CD2-CB 4.41Å; L79-L96 HydrophobicContact CD2-CD2 3.98Å; R82-L96 HydrophobicContact CB-CD1 4.32Å; R82-L96 HydrophobicContact CB-CD2 3.95Å; R82-L96 HydrophobicContact CG-CD2 4.44Å; L85-L96 HydrophobicContact CB-CD1 4.4Å; I86-L96 HydrophobicContact CD1-CD1 4.26Å; I86-L96 HydrophobicContact CG1-CD1 3.7Å; L92-L96 HydrophobicContact CD1-CB 4.28Å; D93-L96 HydrophobicContact CB-CB 4.35Å; D93-L96 HydrophobicContact CB-CD1 4.24Å; D93-L96 HydrophobicContact CB-CG 4.17Å; D93-L96 CarbonylContact O-C 3.59Å; D93-L96 PolarHBondContact O-N 3.46Å; S94-L96 PolarHBondContact O-N 3.35Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 2.99Å; L96-A99 PolarHBondContact O-N 3.32Å; L96-V100 WeakPolarHBondContact O-CB 3.25Å; L96-V100 VanDerWaalsContact O-CG2 3.32Å; L96-V100 WeakPolarHBondContact O-CG2 3.26Å; L96-V100 PolarHBondContact O-N 3.2Å |
| 97 | A | 94.1 | Very high | 93.3 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L92 D93 S94 V100 S101 | L92-A97 HydrophobicContact CD2-CB 3.87Å; L92-A97 HydrophobicContact CG-CB 4.1Å; D93-A97 PolarHBondContact O-N 3.34Å; S94-A97 PolarHBondContact O-N 3.12Å; A97-V100 PolarHBondContact O-N 3.35Å; A97-S101 VanDerWaalsContact O-CB 3.3Å; A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.3Å; A97-S101 PolarHBondContact O-OG 2.97Å |
| 98 | E | 95.8 | Very high | 93.5 | Very high | 85 Ų | 85 | 45 Ų | 45 | 40% | 0.397 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 178.3 | -173.3 | -173.6 | 174.8 | 0 | 0 | 112.1 | Y75 L96 V100 S101 T102 T143 N145 | Y75-E98 PolarHBondContact OH-OE1 2.98Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 2.99Å; E98-V100 PolarHBondContact O-N 3.41Å; E98-S101 PolarHBondContact O-N 3.36Å; E98-T102 WeakPolarHBondContact O-CB 3.48Å; E98-T102 PolarHBondContact O-N 2.91Å; E98-T102 PolarHBondContact O-OG1 3.2Å; E98-T143 VanDerWaalsContact CA-O 3.31Å; E98-T143 WeakPolarHBondContact CA-O 3.45Å; E98-N145 HydrophobicContact CG-CB 4.48Å; E98-N145 PolarHBondContact OE1-ND2 3.32Å |
| 99 | A | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | Y75 L78 L79 L96 T102 L103 | Y75-A99 HydrophobicContact CD1-CB 3.53Å; Y75-A99 HydrophobicContact CE1-CB 4.28Å; Y75-A99 HydrophobicContact CG-CB 3.91Å; L78-A99 HydrophobicContact CD2-CB 4.07Å; L79-A99 HydrophobicContact CD2-CB 3.85Å; L79-A99 HydrophobicContact CG-CB 4.37Å; L96-A99 PolarHBondContact O-N 3.32Å; A99-T102 PolarHBondContact O-N 2.9Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CD1 3.35Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.36Å |
| 100 | V | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -48.3 | 179.1 | 171.4 | 0 | 0 | 0 | 0 | 111 | L79 L92 L96 A97 E98 T102 I104 L124 Y128 Y132 | L79-V100 HydrophobicContact CD1-CG2 4.15Å; L79-V100 HydrophobicContact CD2-CG2 3.89Å; L92-V100 HydrophobicContact CD1-CB 4.08Å; L92-V100 HydrophobicContact CD1-CG1 4.31Å; L92-V100 HydrophobicContact CD1-CG2 3.81Å; L96-V100 WeakPolarHBondContact O-CB 3.25Å; L96-V100 VanDerWaalsContact O-CG2 3.32Å; L96-V100 WeakPolarHBondContact O-CG2 3.26Å; L96-V100 PolarHBondContact O-N 3.2Å; A97-V100 PolarHBondContact O-N 3.35Å; E98-V100 PolarHBondContact O-N 3.41Å; V100-T102 VanDerWaalsContact C-N 3.32Å; V100-T102 PolarHBondContact O-N 2.79Å; V100-I104 HydrophobicContact CG1-CD1 3.88Å; V100-I104 VanDerWaalsContact O-CG1 3.29Å; V100-I104 WeakPolarHBondContact O-CG1 3.37Å; V100-I104 PolarHBondContact O-N 2.95Å; V100-I104 VanDerWaalsContact O-N 3.13Å; V100-L124 HydrophobicContact CG1-CB 4.31Å; V100-L124 HydrophobicContact CG1-CD1 4.26Å; V100-L124 HydrophobicContact CG1-CD2 4.29Å; V100-L124 HydrophobicContact CG2-CD2 4.18Å; V100-Y128 HydrophobicContact CG1-CD2 3.93Å; V100-Y128 HydrophobicContact CG1-CE2 4.08Å; V100-Y128 HydrophobicContact CG2-CE2 4.21Å; V100-Y132 HydrophobicContact CG1-CE1 4.06Å |
| 101 | S | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 177.8 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | A97 E98 I104 W105 Y132 T143 | A97-S101 VanDerWaalsContact O-CB 3.3Å; A97-S101 WeakPolarHBondContact O-CB 3.35Å; A97-S101 PolarHBondContact O-N 3.3Å; A97-S101 PolarHBondContact O-OG 2.97Å; E98-S101 PolarHBondContact O-N 3.36Å; S101-I104 PolarHBondContact O-N 3.22Å; S101-W105 WeakPolarHBondContact O-CB 3.45Å; S101-W105 PolarHBondContact O-N 2.83Å; S101-Y132 PolarHBondContact OG-OH 3.47Å; S101-T143 WeakPolarHBondContact CB-OG1 3.48Å; S101-T143 PolarHBondContact OG-OG1 3.47Å |
| 102 | T | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | -177.4 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | L72 Y75 E98 A99 V100 I104 W105 A106 V144 N145 L148 | L72-T102 HydrophobicContact CD2-CG2 4.3Å; Y75-T102 HydrophobicContact CD2-CG2 3.97Å; Y75-T102 HydrophobicContact CE2-CG2 3.74Å; E98-T102 WeakPolarHBondContact O-CB 3.48Å; E98-T102 PolarHBondContact O-N 2.91Å; E98-T102 PolarHBondContact O-OG1 3.2Å; A99-T102 PolarHBondContact O-N 2.9Å; V100-T102 VanDerWaalsContact C-N 3.32Å; V100-T102 PolarHBondContact O-N 2.79Å; T102-I104 PolarHBondContact O-N 3.49Å; T102-W105 PolarHBondContact O-N 3.1Å; T102-A106 WeakPolarHBondContact O-CB 3.46Å; T102-A106 PolarHBondContact O-N 2.79Å; T102-V144 HydrophobicContact CG2-CG1 4.28Å; T102-N145 HydrophobicContact CG2-CB 4.18Å; T102-N145 PolarHBondContact OG1-N 3.18Å; T102-L148 HydrophobicContact CG2-CB 4.41Å; T102-L148 HydrophobicContact CG2-CD1 3.69Å; T102-L148 HydrophobicContact CG2-CD2 3.8Å; T102-L148 HydrophobicContact CG2-CG 4.19Å |
| 103 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 176.2 | -73.4 | 166.7 | 0 | 0 | 0 | 112.4 | L72 C76 L79 A99 A107 L117 L124 | L72-L103 HydrophobicContact CD2-CD2 3.91Å; C76-L103 WeakPolarHBondContact SG-CD2 3.3Å; L79-L103 HydrophobicContact CD1-CD1 3.43Å; L79-L103 VanDerWaalsContact CD1-CD1 3.43Å; L79-L103 HydrophobicContact CG-CD1 4.06Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CD1 3.35Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.36Å; L103-A107 WeakPolarHBondContact O-CB 3.46Å; L103-A107 PolarHBondContact O-N 3.13Å; L103-A107 VanDerWaalsContact O-N 3.1Å; L103-L117 HydrophobicContact CD2-CD1 3.76Å; L103-L124 HydrophobicContact CB-CD1 4.35Å |
| 104 | I | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -41 | 176.4 | -66.8 | 167.5 | 0 | 0 | 0 | 111 | V100 S101 T102 P108 A121 L124 Y132 C136 R137 | V100-I104 HydrophobicContact CG1-CD1 3.88Å; V100-I104 VanDerWaalsContact O-CG1 3.29Å; V100-I104 WeakPolarHBondContact O-CG1 3.37Å; V100-I104 PolarHBondContact O-N 2.95Å; V100-I104 VanDerWaalsContact O-N 3.13Å; S101-I104 PolarHBondContact O-N 3.22Å; T102-I104 PolarHBondContact O-N 3.49Å; I104-P108 WeakPolarHBondContact O-CD 3.45Å; I104-A121 HydrophobicContact CG1-CB 4.31Å; I104-L124 HydrophobicContact CD1-CB 3.92Å; I104-L124 HydrophobicContact CG1-CB 4.08Å; I104-L124 HydrophobicContact CG1-CD1 4.33Å; I104-Y132 HydrophobicContact CD1-CD1 4.31Å; I104-Y132 HydrophobicContact CD1-CE1 4.21Å; I104-C136 HydrophobicContact CB-CB 3.96Å; I104-C136 HydrophobicContact CD1-CB 4.47Å; I104-C136 HydrophobicContact CG2-CB 3.68Å; I104-R137 HydrophobicContact CG2-CG 4.05Å |
| 105 | W | 96.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 4% | 0.038 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.6 | -39.8 | 178.4 | -178.2 | 95.1 | 0 | 0 | 0 | 112.3 | S101 T102 P108 R109 R137 V144 L148 M149 L152 | S101-W105 WeakPolarHBondContact O-CB 3.45Å; S101-W105 PolarHBondContact O-N 2.83Å; T102-W105 PolarHBondContact O-N 3.1Å; W105-P108 WeakPolarHBondContact O-CD 3.33Å; W105-R109 VanDerWaalsContact CE2-NH1 3.33Å; W105-R109 VanDerWaalsContact CE2-NH2 3.33Å; W105-R109 VanDerWaalsContact CH2-CD 3.49Å; W105-R109 VanDerWaalsContact CH2-NE 3.25Å; W105-R109 VanDerWaalsContact CZ3-CD 3.43Å; W105-R109 PolarHBondContact O-NH1 3.15Å; W105-R137 VanDerWaalsContact CD1-O 3.3Å; W105-V144 HydrophobicContact CB-CG1 4.06Å; W105-V144 HydrophobicContact CB-CG2 3.83Å; W105-V144 HydrophobicContact CD2-CG1 3.98Å; W105-V144 HydrophobicContact CE3-CG1 4.23Å; W105-V144 HydrophobicContact CG-CG1 3.93Å; W105-V144 HydrophobicContact CG-CG2 4.05Å; W105-L148 HydrophobicContact CE3-CD2 3.72Å; W105-L148 HydrophobicContact CZ3-CD2 3.5Å; W105-L148 VanDerWaalsContact CZ3-CD2 3.5Å; W105-M149 HydrophobicContact CD2-CG 4.3Å; W105-M149 HydrophobicContact CE3-CG 4.33Å; W105-M149 HydrophobicContact CH2-CB 4Å; W105-M149 HydrophobicContact CH2-CG 3.74Å; W105-M149 HydrophobicContact CZ2-CB 4.14Å; W105-M149 HydrophobicContact CZ2-CE 4.01Å; W105-M149 HydrophobicContact CZ2-CG 3.64Å; W105-M149 HydrophobicContact CZ2-SD 4.33Å; W105-M149 HydrophobicContact CZ3-CG 4.08Å; W105-L152 HydrophobicContact CH2-CB 4.1Å; W105-L152 HydrophobicContact CZ3-CB 4.01Å; W105-L152 HydrophobicContact CZ3-CD1 3.97Å |
| 106 | A | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.9 | -28 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L72 T102 R109 L110 L117 L148 L152 | L72-A106 HydrophobicContact CD1-CB 3.92Å; L72-A106 HydrophobicContact CD2-CB 3.67Å; L72-A106 HydrophobicContact CG-CB 4.45Å; T102-A106 WeakPolarHBondContact O-CB 3.46Å; T102-A106 PolarHBondContact O-N 2.79Å; A106-R109 WeakPolarHBondContact O-CA 3.49Å; A106-R109 WeakPolarHBondContact O-CB 3.26Å; A106-R109 PolarHBondContact O-N 3.35Å; A106-L110 PolarHBondContact O-N 3.16Å; A106-L117 HydrophobicContact CB-CD2 4.45Å; A106-L148 HydrophobicContact CB-CD2 4.49Å; A106-L152 HydrophobicContact CB-CD1 4.32Å |
| 107 | A | 95.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -50.8 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | L103 R109 Q111 L117 A121 | L103-A107 WeakPolarHBondContact O-CB 3.46Å; L103-A107 PolarHBondContact O-N 3.13Å; L103-A107 VanDerWaalsContact O-N 3.1Å; A107-R109 VanDerWaalsContact C-N 3.25Å; A107-R109 PolarHBondContact O-N 2.97Å; A107-Q111 PolarHBondContact O-N 2.8Å; A107-L117 HydrophobicContact CB-CD2 4.49Å; A107-L117 HydrophobicContact CB-CG 4.08Å; A107-A121 HydrophobicContact CB-CB 3.47Å; A107-A121 VanDerWaalsContact CB-CB 3.47Å |
| 108 | P | 94.4 | Very high | 95.2 | Very high | 54 Ų | 54 | 36.8 Ų | 36.8 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -23.3 | 177.3 | 26.9 | -36 | 0 | 0 | 0 | 113.7 | I104 W105 Q111 | I104-P108 WeakPolarHBondContact O-CD 3.45Å; W105-P108 WeakPolarHBondContact O-CD 3.33Å; P108-Q111 WeakPolarHBondContact O-CG 3.32Å |
| 109 | R | 94 | Very high | 95.2 | Very high | 108 Ų | 108 | 35 Ų | 35 | 41% | 0.408 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -32.3 | -176.7 | -68.1 | 160.5 | 171.2 | 88.9 | 1 | 112.1 | W105 A106 A107 | W105-R109 VanDerWaalsContact CE2-NH1 3.33Å; W105-R109 VanDerWaalsContact CE2-NH2 3.33Å; W105-R109 VanDerWaalsContact CH2-CD 3.49Å; W105-R109 VanDerWaalsContact CH2-NE 3.25Å; W105-R109 VanDerWaalsContact CZ3-CD 3.43Å; W105-R109 PolarHBondContact O-NH1 3.15Å; A106-R109 WeakPolarHBondContact O-CA 3.49Å; A106-R109 WeakPolarHBondContact O-CB 3.26Å; A106-R109 PolarHBondContact O-N 3.35Å; A107-R109 VanDerWaalsContact C-N 3.25Å; A107-R109 PolarHBondContact O-N 2.97Å |
| 110 | L | 93.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -106.5 | 12 | 179.2 | -62.6 | -177.9 | 0 | 0 | 0 | 114.2 | L65 L72 A106 S112 E113 V114 L117 L152 | L65-L110 HydrophobicContact CD1-CD2 3.46Å; L65-L110 VanDerWaalsContact CD1-CD2 3.46Å; L72-L110 HydrophobicContact CD1-CD1 3.17Å; A106-L110 PolarHBondContact O-N 3.16Å; L110-S112 PolarHBondContact O-N 2.59Å; L110-S112 VanDerWaalsContact O-N 3.08Å; L110-E113 PolarHBondContact O-N 2.76Å; L110-V114 PolarHBondContact O-N 3.11Å; L110-L117 HydrophobicContact CB-CD2 4.08Å; L110-L117 HydrophobicContact CD1-CD2 4.34Å; L110-L152 HydrophobicContact CD1-CD1 4.48Å; L110-L152 HydrophobicContact CD2-CD2 4.16Å; L110-L152 HydrophobicContact CG-CD1 4.43Å |
| 111 | Q | 91.6 | Very high | 95.2 | Very high | 117 Ų | 117 | 35 Ų | 35 | 55% | 0.547 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.6 | -175.3 | 69.5 | 175.6 | 9.2 | 0 | 0 | 114.1 | A107 P108 | A107-Q111 PolarHBondContact O-N 2.8Å; P108-Q111 WeakPolarHBondContact O-CG 3.32Å |
| 112 | S | 93.1 | Very high | 95.2 | Very high | 104 Ų | 104 | 37.9 Ų | 37.9 | 73% | 0.727 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -27.5 | 179.9 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | L110 | L110-S112 PolarHBondContact O-N 2.59Å; L110-S112 VanDerWaalsContact O-N 3.08Å |
| 113 | E | 92.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 38.4 Ų | 38.4 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -35.6 | -175.9 | -62.4 | -75.5 | -168.1 | 0 | 0 | 111.2 | R21 L25 K29 L110 | R21-E113 PolarHBondContact NE-O 3.4Å; R21-E113 PolarHBondContact NH2-O 3.48Å; L25-E113 HydrophobicContact CD1-CB 4.05Å; K29-E113 IonicContact NZ-OE1 2.72Å; K29-E113 PolarHBondContact NZ-OE1 3.11Å; L110-E113 PolarHBondContact O-N 2.76Å |
| 114 | V | 94.9 | Very high | 95 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | trans | -132.9 | 88.9 | -175.2 | -168 | 0 | 0 | 0 | 0 | 110.6 | V18 R21 L22 L25 L110 E116 L117 | V18-V114 HydrophobicContact CG1-CG1 4.3Å; V18-V114 HydrophobicContact CG2-CG1 4.13Å; R21-V114 HydrophobicContact CG-CG1 4.11Å; R21-V114 HydrophobicContact CG-CG2 4.17Å; L22-V114 HydrophobicContact CD2-CG2 3.93Å; L25-V114 HydrophobicContact CD1-CG2 3.62Å; L110-V114 PolarHBondContact O-N 3.11Å; V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 PolarHBondContact O-N 3.31Å; V114-L117 HydrophobicContact CB-CB 4.19Å; V114-L117 HydrophobicContact CG1-CB 3.87Å; V114-L117 WeakPolarHBondContact O-CB 3.35Å; V114-L117 PolarHBondContact O-N 3.11Å | ||
| 115 | A | 94.9 | Very high | 94.9 | Very high | 63 Ų | 63 | 38.8 Ų | 38.8 | 52% | 0.521 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.2 | -30.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L117 K118 | A115-L117 PolarHBondContact O-N 3.14Å; A115-K118 WeakPolarHBondContact O-CB 3.45Å; A115-K118 PolarHBondContact O-N 3.36Å |
| 116 | E | 95.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 40 Ų | 40 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.8 | -28.3 | 179.9 | -62.5 | 78.2 | -172.8 | 0 | 0 | 112.1 | L17 V18 V114 K118 I119 V120 | L17-E116 HydrophobicContact CB-CG 4.09Å; L17-E116 HydrophobicContact CD1-CG 4.44Å; V18-E116 HydrophobicContact CG2-CB 3.61Å; V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 PolarHBondContact O-N 3.31Å; E116-K118 PolarHBondContact O-N 3.44Å; E116-I119 WeakPolarHBondContact O-CA 3.21Å; E116-I119 WeakPolarHBondContact O-CB 3.15Å; E116-I119 PolarHBondContact O-N 3.49Å; E116-V120 PolarHBondContact O-N 2.97Å |
| 117 | L | 96.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -33.8 | 178.2 | -173.7 | 62.7 | 0 | 0 | 0 | 111.3 | V18 L72 L103 A106 A107 L110 V114 A115 I119 V120 A121 | V18-L117 HydrophobicContact CG1-CD1 4.36Å; V18-L117 HydrophobicContact CG2-CB 4.37Å; L72-L117 HydrophobicContact CD1-CD2 4.5Å; L103-L117 HydrophobicContact CD2-CD1 3.76Å; A106-L117 HydrophobicContact CB-CD2 4.45Å; A107-L117 HydrophobicContact CB-CD2 4.49Å; A107-L117 HydrophobicContact CB-CG 4.08Å; L110-L117 HydrophobicContact CB-CD2 4.08Å; L110-L117 HydrophobicContact CD1-CD2 4.34Å; V114-L117 HydrophobicContact CB-CB 4.19Å; V114-L117 HydrophobicContact CG1-CB 3.87Å; V114-L117 WeakPolarHBondContact O-CB 3.35Å; V114-L117 PolarHBondContact O-N 3.11Å; A115-L117 PolarHBondContact O-N 3.14Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 PolarHBondContact O-N 3.35Å; L117-V120 PolarHBondContact O-N 3.21Å; L117-A121 WeakPolarHBondContact O-CB 3.37Å; L117-A121 PolarHBondContact O-N 3.12Å |
| 118 | K | 95.9 | Very high | 94.4 | Very high | 106 Ų | 106 | 42.9 Ų | 42.9 | 46% | 0.461 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 171.8 | -175.2 | -174.6 | 178.1 | -61.4 | 0 | 111.4 | A115 E116 A121 D122 | A115-K118 WeakPolarHBondContact O-CB 3.45Å; A115-K118 PolarHBondContact O-N 3.36Å; E116-K118 PolarHBondContact O-N 3.44Å; K118-A121 PolarHBondContact O-N 3.06Å; K118-D122 IonicContact NZ-OD2 2.59Å; K118-D122 PolarHBondContact NZ-OD2 3.36Å; K118-D122 WeakPolarHBondContact O-CB 3.48Å; K118-D122 VanDerWaalsContact O-CG 3.22Å; K118-D122 PolarHBondContact O-N 2.91Å |
| 119 | I | 95.9 | Very high | 94.2 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 179.8 | -55 | 173.4 | 0 | 0 | 0 | 109.8 | N14 E116 L117 D122 Q123 | N14-I119 HydrophobicContact CB-CG2 4.46Å; N14-I119 WeakPolarHBondContact OD1-CD1 3.28Å; E116-I119 WeakPolarHBondContact O-CA 3.21Å; E116-I119 WeakPolarHBondContact O-CB 3.15Å; E116-I119 PolarHBondContact O-N 3.49Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 PolarHBondContact O-N 3.35Å; I119-D122 PolarHBondContact O-N 3.3Å; I119-Q123 VanDerWaalsContact O-CG 3.32Å; I119-Q123 WeakPolarHBondContact O-CG 3.29Å; I119-Q123 PolarHBondContact O-N 3.02Å |
| 120 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.6 | -51 | 174.5 | 171 | 0 | 0 | 0 | 0 | 110.7 | L11 N14 L15 V18 E116 L117 D122 Q123 L124 | L11-V120 HydrophobicContact CD1-CB 4.29Å; L11-V120 HydrophobicContact CD1-CG1 3.82Å; L11-V120 HydrophobicContact CD1-CG2 4.37Å; N14-V120 HydrophobicContact CB-CG2 3.76Å; L15-V120 HydrophobicContact CD2-CG1 3.73Å; L15-V120 HydrophobicContact CD2-CG2 4.17Å; L15-V120 HydrophobicContact CG-CG1 4.38Å; L15-V120 HydrophobicContact CG-CG2 4.29Å; V18-V120 HydrophobicContact CG2-CG2 3.97Å; E116-V120 PolarHBondContact O-N 2.97Å; L117-V120 PolarHBondContact O-N 3.21Å; V120-D122 PolarHBondContact O-N 3.12Å; V120-Q123 PolarHBondContact O-N 3.25Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.49Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 2.77Å |
| 121 | A | 96 | Very high | 93.8 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I104 A107 L117 K118 Q123 L124 C125 | I104-A121 HydrophobicContact CG1-CB 4.31Å; A107-A121 HydrophobicContact CB-CB 3.47Å; A107-A121 VanDerWaalsContact CB-CB 3.47Å; L117-A121 WeakPolarHBondContact O-CB 3.37Å; L117-A121 PolarHBondContact O-N 3.12Å; K118-A121 PolarHBondContact O-N 3.06Å; A121-Q123 VanDerWaalsContact C-N 3.33Å; A121-Q123 PolarHBondContact O-N 3.35Å; A121-L124 PolarHBondContact O-N 3.33Å; A121-C125 WeakPolarHBondContact O-CB 3.29Å; A121-C125 PolarHBondContact O-N 3.19Å; A121-C125 PolarHBondContact O-SG 3.04Å |
| 122 | D | 95 | Very high | 93.8 | Very high | 60 Ų | 60 | 46.5 Ų | 46.5 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 177.3 | -72.4 | -21.5 | 0 | 0 | 0 | 111.7 | K118 I119 V120 A126 | K118-D122 IonicContact NZ-OD2 2.59Å; K118-D122 PolarHBondContact NZ-OD2 3.36Å; K118-D122 WeakPolarHBondContact O-CB 3.48Å; K118-D122 VanDerWaalsContact O-CG 3.22Å; K118-D122 PolarHBondContact O-N 2.91Å; I119-D122 PolarHBondContact O-N 3.3Å; V120-D122 PolarHBondContact O-N 3.12Å; D122-A126 WeakPolarHBondContact O-CB 3.26Å; D122-A126 PolarHBondContact O-N 2.75Å |
| 123 | Q | 95.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 173.9 | -70.4 | -57.3 | -56.1 | 0 | 0 | 112.1 | F6 K7 L11 I119 V120 A121 A126 K127 | F6-Q123 HydrophobicContact CD2-CB 4.4Å; F6-Q123 WeakPolarHBondContact CD2-O 3.46Å; K7-Q123 PolarHBondContact O-OE1 3.28Å; L11-Q123 HydrophobicContact CB-CB 4.06Å; L11-Q123 HydrophobicContact CB-CG 4.3Å; L11-Q123 HydrophobicContact CD1-CB 4.01Å; L11-Q123 HydrophobicContact CG-CB 4.49Å; I119-Q123 VanDerWaalsContact O-CG 3.32Å; I119-Q123 WeakPolarHBondContact O-CG 3.29Å; I119-Q123 PolarHBondContact O-N 3.02Å; V120-Q123 PolarHBondContact O-N 3.25Å; A121-Q123 VanDerWaalsContact C-N 3.33Å; A121-Q123 PolarHBondContact O-N 3.35Å; Q123-A126 PolarHBondContact O-N 3.34Å; Q123-K127 PolarHBondContact O-N 2.75Å |
| 124 | L | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 176.8 | -67.6 | 170.7 | 0 | 0 | 0 | 111.8 | L11 L79 V100 L103 I104 V120 A121 A126 K127 Y128 | L11-L124 HydrophobicContact CD1-CD2 4.4Å; L11-L124 HydrophobicContact CD1-CG 4.28Å; L11-L124 HydrophobicContact CD2-CD2 3.94Å; L79-L124 HydrophobicContact CD1-CD1 4.12Å; L79-L124 HydrophobicContact CD1-CD2 4.27Å; V100-L124 HydrophobicContact CG1-CB 4.31Å; V100-L124 HydrophobicContact CG1-CD1 4.26Å; V100-L124 HydrophobicContact CG1-CD2 4.29Å; V100-L124 HydrophobicContact CG2-CD2 4.18Å; L103-L124 HydrophobicContact CB-CD1 4.35Å; I104-L124 HydrophobicContact CD1-CB 3.92Å; I104-L124 HydrophobicContact CG1-CB 4.08Å; I104-L124 HydrophobicContact CG1-CD1 4.33Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.49Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 2.77Å; A121-L124 PolarHBondContact O-N 3.33Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.25Å; L124-K127 PolarHBondContact O-N 2.99Å; L124-Y128 HydrophobicContact CD2-CE2 4.17Å; L124-Y128 WeakPolarHBondContact O-CD2 3.49Å; L124-Y128 PolarHBondContact O-N 3.36Å |
| 125 | C | 94.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.054 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 172.6 | -66.5 | 0 | 0 | 0 | 0 | 112 | A121 K127 S129 K130 G133 R137 | A121-C125 WeakPolarHBondContact O-CB 3.29Å; A121-C125 PolarHBondContact O-N 3.19Å; A121-C125 PolarHBondContact O-SG 3.04Å; C125-K127 VanDerWaalsContact C-N 3.28Å; C125-K127 PolarHBondContact O-N 3.01Å; C125-S129 CarbonylContact O-C 3.57Å; C125-S129 VanDerWaalsContact O-CA 3.31Å; C125-S129 WeakPolarHBondContact O-CA 3.29Å; C125-S129 PolarHBondContact O-N 3.18Å; C125-S129 VanDerWaalsContact O-N 3.11Å; C125-S129 VanDerWaalsContact O-O 3.07Å; C125-K130 PolarHBondContact O-N 3.13Å; C125-G133 VanDerWaalsContact SG-CA 3.52Å; C125-R137 PolarHBondContact SG-NH2 3.04Å; C125-R137 VanDerWaalsContact SG-NH2 3.43Å |
| 126 | A | 93.2 | Very high | 93.6 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68 | -29.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F6 D122 Q123 L124 | F6-A126 HydrophobicContact CB-CB 4.2Å; D122-A126 WeakPolarHBondContact O-CB 3.26Å; D122-A126 PolarHBondContact O-N 2.75Å; Q123-A126 PolarHBondContact O-N 3.34Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.25Å |
| 127 | K | 93.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 17% | 0.17 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -76.4 | -50.6 | 177.7 | 179.9 | 69.5 | -169.2 | -158.4 | 0 | 112.7 | F6 I86 M89 Q123 L124 C125 | F6-K127 HydrophobicContact CB-CB 4.39Å; F6-K127 HydrophobicContact CD1-CD 3.69Å; F6-K127 HydrophobicContact CD2-CB 3.69Å; F6-K127 HydrophobicContact CD2-CD 4.31Å; F6-K127 HydrophobicContact CD2-CG 4.42Å; F6-K127 HydrophobicContact CE1-CD 3.73Å; F6-K127 HydrophobicContact CE2-CB 4.02Å; F6-K127 HydrophobicContact CE2-CD 4.34Å; F6-K127 HydrophobicContact CE2-CG 4.4Å; F6-K127 HydrophobicContact CG-CB 3.95Å; F6-K127 HydrophobicContact CG-CD 3.98Å; F6-K127 HydrophobicContact CG-CG 4.5Å; F6-K127 HydrophobicContact CZ-CD 4.05Å; F6-K127 HydrophobicContact CZ-CG 4.49Å; I86-K127 WeakPolarHBondContact O-CE 3.49Å; I86-K127 PolarHBondContact O-NZ 2.97Å; M89-K127 WeakPolarHBondContact O-CE 3.29Å; M89-K127 PolarHBondContact O-NZ 3.17Å; Q123-K127 PolarHBondContact O-N 2.75Å; L124-K127 PolarHBondContact O-N 2.99Å; C125-K127 VanDerWaalsContact C-N 3.28Å; C125-K127 PolarHBondContact O-N 3.01Å |
| 128 | Y | 91.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -102.3 | 9.4 | -169.8 | -61.9 | -65.4 | 0 | 0 | 0 | 114.8 | L92 V100 L124 Y132 | L92-Y128 HydrophobicContact CB-CD1 3.81Å; L92-Y128 HydrophobicContact CB-CE1 3.71Å; L92-Y128 HydrophobicContact CD1-CD1 4.34Å; L92-Y128 HydrophobicContact CD1-CD2 4.3Å; L92-Y128 HydrophobicContact CD1-CE1 3.83Å; L92-Y128 HydrophobicContact CD1-CE2 3.79Å; L92-Y128 HydrophobicContact CG-CE1 4.36Å; V100-Y128 HydrophobicContact CG1-CD2 3.93Å; V100-Y128 HydrophobicContact CG1-CE2 4.08Å; V100-Y128 HydrophobicContact CG2-CE2 4.21Å; L124-Y128 HydrophobicContact CD2-CE2 4.17Å; L124-Y128 WeakPolarHBondContact O-CD2 3.49Å; L124-Y128 PolarHBondContact O-N 3.36Å; Y128-Y132 VanDerWaalsContact O-CB 3.29Å; Y128-Y132 WeakPolarHBondContact O-CB 3.3Å |
| 129 | S | 90.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 46.8 Ų | 46.8 | 42% | 0.42 | 23% | 0.233 | S | C | . | . | trans | 91.9 | 147.3 | -175.3 | 84.3 | 0 | 0 | 0 | 0 | 115.3 | C125 E131 Y132 G133 | C125-S129 CarbonylContact O-C 3.57Å; C125-S129 VanDerWaalsContact O-CA 3.31Å; C125-S129 WeakPolarHBondContact O-CA 3.29Å; C125-S129 PolarHBondContact O-N 3.18Å; C125-S129 VanDerWaalsContact O-N 3.11Å; C125-S129 VanDerWaalsContact O-O 3.07Å; S129-E131 VanDerWaalsContact C-N 3.3Å; S129-E131 PolarHBondContact O-N 2.94Å; S129-Y132 PolarHBondContact O-N 3.05Å; S129-Y132 WeakPolarHBondContact OG-CB 3.3Å; S129-Y132 PolarHBondContact OG-N 2.92Å; S129-Y132 VanDerWaalsContact OG-N 3.13Å; S129-G133 PolarHBondContact O-N 3.4Å; S129-G133 VanDerWaalsContact O-N 3.14Å | ||
| 130 | K | 89.8 | Confident | 92.4 | Very high | 162 Ų | 162 | 51.2 Ų | 51.2 | 70% | 0.704 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.6 | -33.7 | 176.2 | -67.7 | -173.6 | 178.2 | -177.5 | 0 | 112.2 | C125 G133 K134 | C125-K130 PolarHBondContact O-N 3.13Å; K130-G133 PolarHBondContact O-N 2.77Å; K130-K134 WeakPolarHBondContact O-CG 3.43Å; K130-K134 PolarHBondContact O-N 3Å |
| 131 | E | 91.3 | Very high | 91.7 | Very high | 109 Ų | 109 | 54 Ų | 54 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 177.9 | -60.4 | -48.2 | 121.9 | 0 | 0 | 111 | S129 G133 K134 L135 | S129-E131 VanDerWaalsContact C-N 3.3Å; S129-E131 PolarHBondContact O-N 2.94Å; E131-G133 VanDerWaalsContact C-N 3.28Å; E131-G133 PolarHBondContact O-N 3.45Å; E131-K134 WeakPolarHBondContact O-CB 3.4Å; E131-K134 PolarHBondContact O-N 3.26Å; E131-K134 IonicContact OE1-NZ 3.46Å; E131-K134 PolarHBondContact OE1-NZ 3.39Å; E131-K134 IonicContact OE2-NZ 3.39Å; E131-K134 PolarHBondContact OE2-NZ 3.46Å; E131-L135 WeakPolarHBondContact O-CG 3.32Å; E131-L135 PolarHBondContact O-N 2.72Å |
| 132 | Y | 91 | Very high | 91.3 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 12% | 0.122 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55 | -46.5 | 170.7 | -175.7 | -92.9 | 0 | 0 | 0 | 111.5 | L92 V100 S101 I104 Y128 S129 K134 L135 C136 I141 | L92-Y132 HydrophobicContact CD2-CE1 4.08Å; L92-Y132 HydrophobicContact CD2-CE2 3.86Å; L92-Y132 VanDerWaalsContact CD2-CZ 3.4Å; L92-Y132 WeakPolarHBondContact CD2-OH 3.38Å; V100-Y132 HydrophobicContact CG1-CE1 4.06Å; S101-Y132 PolarHBondContact OG-OH 3.47Å; I104-Y132 HydrophobicContact CD1-CD1 4.31Å; I104-Y132 HydrophobicContact CD1-CE1 4.21Å; Y128-Y132 VanDerWaalsContact O-CB 3.29Å; Y128-Y132 WeakPolarHBondContact O-CB 3.3Å; S129-Y132 PolarHBondContact O-N 3.05Å; S129-Y132 WeakPolarHBondContact OG-CB 3.3Å; S129-Y132 PolarHBondContact OG-N 2.92Å; S129-Y132 VanDerWaalsContact OG-N 3.13Å; Y132-K134 VanDerWaalsContact C-N 3.28Å; Y132-K134 PolarHBondContact O-N 3.46Å; Y132-L135 PolarHBondContact O-N 3.01Å; Y132-C136 VanDerWaalsContact CD1-SG 3.59Å; Y132-C136 WeakPolarHBondContact CE1-SG 3.42Å; Y132-C136 VanDerWaalsContact CZ-SG 3.51Å; Y132-C136 PolarHBondContact O-N 3.2Å; Y132-C136 PolarHBondContact O-SG 3.42Å; Y132-I141 HydrophobicContact CD2-CD1 3.86Å; Y132-I141 HydrophobicContact CE2-CD1 3.22Å |
| 133 | G | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -31.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C125 S129 K130 E131 R137 | C125-G133 VanDerWaalsContact SG-CA 3.52Å; S129-G133 PolarHBondContact O-N 3.4Å; S129-G133 VanDerWaalsContact O-N 3.14Å; K130-G133 PolarHBondContact O-N 2.77Å; E131-G133 VanDerWaalsContact C-N 3.28Å; E131-G133 PolarHBondContact O-N 3.45Å; G133-R137 WeakPolarHBondContact O-CG 3.5Å; G133-R137 PolarHBondContact O-N 3.19Å; G133-R137 PolarHBondContact O-NE 3.36Å |
| 134 | K | 92.4 | Very high | 91.1 | Very high | 115 Ų | 115 | 55.9 Ų | 55.9 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.8 | -46.4 | 174 | -69.8 | 171.3 | -173.7 | 165 | 0 | 111.1 | K130 E131 Y132 C136 R137 T138 | K130-K134 WeakPolarHBondContact O-CG 3.43Å; K130-K134 PolarHBondContact O-N 3Å; E131-K134 WeakPolarHBondContact O-CB 3.4Å; E131-K134 PolarHBondContact O-N 3.26Å; E131-K134 IonicContact OE1-NZ 3.46Å; E131-K134 PolarHBondContact OE1-NZ 3.39Å; E131-K134 IonicContact OE2-NZ 3.39Å; E131-K134 PolarHBondContact OE2-NZ 3.46Å; Y132-K134 VanDerWaalsContact C-N 3.28Å; Y132-K134 PolarHBondContact O-N 3.46Å; K134-C136 VanDerWaalsContact C-N 3.27Å; K134-C136 PolarHBondContact O-N 3.19Å; K134-R137 PolarHBondContact O-N 2.96Å; K134-R137 VanDerWaalsContact O-N 3.12Å; K134-T138 PolarHBondContact O-N 3.34Å; K134-T138 PolarHBondContact O-OG1 3.25Å |
| 135 | L | 93.3 | Very high | 91.1 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 178 | -67 | 171.8 | 0 | 0 | 0 | 112 | E131 Y132 T138 N139 Q140 I141 | E131-L135 WeakPolarHBondContact O-CG 3.32Å; E131-L135 PolarHBondContact O-N 2.72Å; Y132-L135 PolarHBondContact O-N 3.01Å; L135-T138 PolarHBondContact O-OG1 3.21Å; L135-N139 PolarHBondContact O-N 2.93Å; L135-N139 VanDerWaalsContact O-N 3.14Å; L135-Q140 HydrophobicContact CD2-CB 3.87Å; L135-Q140 VanDerWaalsContact CD2-OE1 3.3Å; L135-Q140 PolarHBondContact O-N 3.37Å; L135-I141 HydrophobicContact CB-CB 4.47Å |
| 136 | C | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 174.4 | -66 | 0 | 0 | 0 | 0 | 111.8 | I104 Y132 K134 T138 N139 | I104-C136 HydrophobicContact CB-CB 3.96Å; I104-C136 HydrophobicContact CD1-CB 4.47Å; I104-C136 HydrophobicContact CG2-CB 3.68Å; Y132-C136 VanDerWaalsContact CD1-SG 3.59Å; Y132-C136 WeakPolarHBondContact CE1-SG 3.42Å; Y132-C136 VanDerWaalsContact CZ-SG 3.51Å; Y132-C136 PolarHBondContact O-N 3.2Å; Y132-C136 PolarHBondContact O-SG 3.42Å; K134-C136 VanDerWaalsContact C-N 3.27Å; K134-C136 PolarHBondContact O-N 3.19Å; C136-T138 VanDerWaalsContact C-N 3.3Å; C136-T138 PolarHBondContact O-N 3.41Å; C136-N139 PolarHBondContact O-N 3.02Å; C136-N139 VanDerWaalsContact O-N 3.11Å |
| 137 | R | 91.3 | Very high | 91 | Very high | 91 Ų | 91 | 66.7 Ų | 66.7 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -34.3 | -178.9 | -76.8 | 178.8 | -124.5 | -113.5 | 2.7 | 113.5 | I104 W105 C125 G133 K134 | I104-R137 HydrophobicContact CG2-CG 4.05Å; W105-R137 VanDerWaalsContact CD1-O 3.3Å; C125-R137 PolarHBondContact SG-NH2 3.04Å; C125-R137 VanDerWaalsContact SG-NH2 3.43Å; G133-R137 WeakPolarHBondContact O-CG 3.5Å; G133-R137 PolarHBondContact O-N 3.19Å; G133-R137 PolarHBondContact O-NE 3.36Å; K134-R137 PolarHBondContact O-N 2.96Å; K134-R137 VanDerWaalsContact O-N 3.12Å |
| 138 | T | 91.1 | Very high | 91.1 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 1.4 | 177.3 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | K134 L135 C136 Q140 | K134-T138 PolarHBondContact O-N 3.34Å; K134-T138 PolarHBondContact O-OG1 3.25Å; L135-T138 PolarHBondContact O-OG1 3.21Å; C136-T138 VanDerWaalsContact C-N 3.3Å; C136-T138 PolarHBondContact O-N 3.41Å; T138-Q140 PolarHBondContact O-N 3.47Å; T138-Q140 VanDerWaalsContact O-N 3.16Å; T138-Q140 WeakPolarHBondContact OG1-CG 3.39Å; T138-Q140 PolarHBondContact OG1-NE2 3.3Å |
| 139 | N | 89.6 | Confident | 91.1 | Very high | 35 Ų | 35 | 65.9 Ų | 65.9 | 19% | 0.187 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 29.2 | -171.1 | -165.1 | 35.6 | 0 | 0 | 0 | 114.4 | L135 C136 I141 G142 V144 M149 | L135-N139 PolarHBondContact O-N 2.93Å; L135-N139 VanDerWaalsContact O-N 3.14Å; C136-N139 PolarHBondContact O-N 3.02Å; C136-N139 VanDerWaalsContact O-N 3.11Å; N139-I141 PolarHBondContact O-N 3.45Å; N139-G142 PolarHBondContact O-N 2.72Å; N139-V144 HydrophobicContact CB-CG2 4.33Å; N139-V144 VanDerWaalsContact OD1-CB 3.27Å; N139-V144 WeakPolarHBondContact OD1-CB 3.41Å; N139-V144 WeakPolarHBondContact OD1-CG2 3.08Å; N139-M149 HydrophobicContact CB-CE 4.11Å; N139-M149 HydrophobicContact CB-SD 4.16Å; N139-M149 VanDerWaalsContact CG-SD 3.59Å; N139-M149 WeakPolarHBondContact ND2-CE 3.34Å; N139-M149 PolarHBondContact ND2-SD 3.48Å |
| 140 | Q | 85.8 | Confident | 91.2 | Very high | 141 Ų | 141 | 68.4 Ų | 68.4 | 66% | 0.659 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -19.8 | 176 | -77.1 | 174.9 | 23.3 | 0 | 0 | 112.6 | L135 T138 | L135-Q140 HydrophobicContact CD2-CB 3.87Å; L135-Q140 VanDerWaalsContact CD2-OE1 3.3Å; L135-Q140 PolarHBondContact O-N 3.37Å; T138-Q140 PolarHBondContact O-N 3.47Å; T138-Q140 VanDerWaalsContact O-N 3.16Å; T138-Q140 WeakPolarHBondContact OG1-CG 3.39Å; T138-Q140 PolarHBondContact OG1-NE2 3.3Å |
| 141 | I | 82.7 | Confident | 91.3 | Very high | 59 Ų | 59 | 61.7 Ų | 61.7 | 30% | 0.303 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -19.3 | 177.7 | -164.6 | 156.7 | 0 | 0 | 0 | 113 | Y132 L135 N139 T143 | Y132-I141 HydrophobicContact CD2-CD1 3.86Å; Y132-I141 HydrophobicContact CE2-CD1 3.22Å; L135-I141 HydrophobicContact CB-CB 4.47Å; N139-I141 PolarHBondContact O-N 3.45Å; I141-T143 HydrophobicContact CG1-CG2 4.2Å; I141-T143 VanDerWaalsContact CG2-OG1 3.32Å; I141-T143 WeakPolarHBondContact CG2-OG1 3.47Å; I141-T143 PolarHBondContact O-N 3.43Å |
| 142 | G | 88.3 | Confident | 91.4 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 60% | 0.598 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 63.8 | 20.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | N139 | N139-G142 PolarHBondContact O-N 2.72Š|
| 143 | T | 91.2 | Very high | 91.3 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | trans | -109.4 | 6 | 178.1 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | E98 S101 I141 | E98-T143 VanDerWaalsContact CA-O 3.31Å; E98-T143 WeakPolarHBondContact CA-O 3.45Å; S101-T143 WeakPolarHBondContact CB-OG1 3.48Å; S101-T143 PolarHBondContact OG-OG1 3.47Å; I141-T143 HydrophobicContact CG1-CG2 4.2Å; I141-T143 VanDerWaalsContact CG2-OG1 3.32Å; I141-T143 WeakPolarHBondContact CG2-OG1 3.47Å; I141-T143 PolarHBondContact O-N 3.43Å | ||
| 144 | V | 93.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -75.9 | 142.7 | 172.3 | 180 | 0 | 0 | 0 | 0 | 108.6 | T102 W105 N139 D146 M149 | T102-V144 HydrophobicContact CG2-CG1 4.28Å; W105-V144 HydrophobicContact CB-CG1 4.06Å; W105-V144 HydrophobicContact CB-CG2 3.83Å; W105-V144 HydrophobicContact CD2-CG1 3.98Å; W105-V144 HydrophobicContact CE3-CG1 4.23Å; W105-V144 HydrophobicContact CG-CG1 3.93Å; W105-V144 HydrophobicContact CG-CG2 4.05Å; N139-V144 HydrophobicContact CB-CG2 4.33Å; N139-V144 VanDerWaalsContact OD1-CB 3.27Å; N139-V144 WeakPolarHBondContact OD1-CB 3.41Å; N139-V144 WeakPolarHBondContact OD1-CG2 3.08Å; V144-D146 PolarHBondContact O-N 3.18Å; V144-M149 HydrophobicContact CB-CG 4.38Å; V144-M149 HydrophobicContact CB-SD 3.81Å; V144-M149 HydrophobicContact CG1-CG 3.54Å; V144-M149 HydrophobicContact CG1-SD 3.63Å |
| 145 | N | 94.6 | Very high | 90.7 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | trans | -63.6 | 116.4 | 177.7 | -175.7 | -86.1 | 0 | 0 | 0 | 112 | Y75 E98 T102 R147 L148 M149 | Y75-N145 HydrophobicContact CE2-CB 4.15Å; Y75-N145 VanDerWaalsContact OH-CB 3.31Å; Y75-N145 WeakPolarHBondContact OH-CB 3.36Å; Y75-N145 VanDerWaalsContact OH-CG 3.31Å; Y75-N145 PolarHBondContact OH-ND2 3.17Å; E98-N145 HydrophobicContact CG-CB 4.48Å; E98-N145 PolarHBondContact OE1-ND2 3.32Å; T102-N145 HydrophobicContact CG2-CB 4.18Å; T102-N145 PolarHBondContact OG1-N 3.18Å; N145-R147 VanDerWaalsContact C-N 3.32Å; N145-R147 PolarHBondContact O-N 3.17Å; N145-R147 WeakPolarHBondContact OD1-CB 3.25Å; N145-R147 PolarHBondContact OD1-N 2.74Å; N145-L148 HydrophobicContact CB-CB 4.18Å; N145-L148 PolarHBondContact O-N 3.05Å; N145-L148 PolarHBondContact OD1-N 3.03Å; N145-M149 WeakPolarHBondContact O-CG 3.35Å; N145-M149 PolarHBondContact O-N 3.49Å | ||
| 146 | D | 92.6 | Very high | 90.4 | Very high | 122 Ų | 122 | 67.3 Ų | 67.3 | 65% | 0.652 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63 | -36.3 | -176.1 | -66.5 | -45.5 | 0 | 0 | 0 | 112.9 | V144 L148 M149 H150 | V144-D146 PolarHBondContact O-N 3.18Å; D146-L148 PolarHBondContact O-N 2.95Å; D146-M149 WeakPolarHBondContact O-CB 3.32Å; D146-M149 PolarHBondContact O-N 3.37Å; D146-H150 PolarHBondContact O-N 3.46Å |
| 147 | R | 92.6 | Very high | 90.3 | Very high | 118 Ų | 118 | 67.9 Ų | 67.9 | 45% | 0.445 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 178 | 175.7 | 179.1 | -104.6 | -129.6 | 1.8 | 110.8 | I71 N145 M149 H150 K151 D194 | I71-R147 HydrophobicContact CD1-CG 4.22Å; N145-R147 VanDerWaalsContact C-N 3.32Å; N145-R147 PolarHBondContact O-N 3.17Å; N145-R147 WeakPolarHBondContact OD1-CB 3.25Å; N145-R147 PolarHBondContact OD1-N 2.74Å; R147-M149 VanDerWaalsContact C-N 3.34Å; R147-H150 PolarHBondContact O-N 2.8Å; R147-K151 HydrophobicContact CG-CD 4.45Å; R147-K151 WeakPolarHBondContact O-CG 3.38Å; R147-K151 PolarHBondContact O-N 3.01Å; R147-K151 VanDerWaalsContact O-N 3.11Å; R147-D194 IonicContact CZ-OD2 3.18Å; R147-D194 IonicContact NH2-OD1 3.74Å; R147-D194 PolarHBondContact NH2-OD1 3.12Å; R147-D194 IonicContact NH2-OD2 2.73Å; R147-D194 PolarHBondContact NH2-OD2 3.27Å |
| 148 | L | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 175.2 | -179 | 146.1 | 0 | 0 | 0 | 111.7 | I71 L72 T102 W105 A106 N145 D146 H150 K151 L152 | I71-L148 HydrophobicContact CB-CD1 4.08Å; I71-L148 HydrophobicContact CD1-CB 4.42Å; I71-L148 HydrophobicContact CG2-CB 4.24Å; I71-L148 HydrophobicContact CG2-CD1 3.68Å; L72-L148 HydrophobicContact CD1-CD1 4.4Å; L72-L148 HydrophobicContact CD2-CD1 3.55Å; L72-L148 HydrophobicContact CG-CD1 3.63Å; T102-L148 HydrophobicContact CG2-CB 4.41Å; T102-L148 HydrophobicContact CG2-CD1 3.69Å; T102-L148 HydrophobicContact CG2-CD2 3.8Å; T102-L148 HydrophobicContact CG2-CG 4.19Å; W105-L148 HydrophobicContact CE3-CD2 3.72Å; W105-L148 HydrophobicContact CZ3-CD2 3.5Å; W105-L148 VanDerWaalsContact CZ3-CD2 3.5Å; A106-L148 HydrophobicContact CB-CD2 4.49Å; N145-L148 HydrophobicContact CB-CB 4.18Å; N145-L148 PolarHBondContact O-N 3.05Å; N145-L148 PolarHBondContact OD1-N 3.03Å; D146-L148 PolarHBondContact O-N 2.95Å; L148-H150 VanDerWaalsContact C-N 3.34Å; L148-H150 PolarHBondContact O-N 2.84Å; L148-K151 PolarHBondContact O-N 3.27Å; L148-L152 HydrophobicContact CD2-CD1 3.82Å; L148-L152 HydrophobicContact CD2-CG 4.43Å; L148-L152 HydrophobicContact CG-CD1 4.3Å; L148-L152 PolarHBondContact O-N 3.31Å |
| 149 | M | 92.9 | Very high | 90.2 | Very high | 47 Ų | 47 | 70.6 Ų | 70.6 | 23% | 0.232 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.8 | -72 | -173.9 | 51.3 | 0 | 0 | 112.5 | W105 N139 V144 N145 D146 R147 L152 S153 | W105-M149 HydrophobicContact CD2-CG 4.3Å; W105-M149 HydrophobicContact CE3-CG 4.33Å; W105-M149 HydrophobicContact CH2-CB 4Å; W105-M149 HydrophobicContact CH2-CG 3.74Å; W105-M149 HydrophobicContact CZ2-CB 4.14Å; W105-M149 HydrophobicContact CZ2-CE 4.01Å; W105-M149 HydrophobicContact CZ2-CG 3.64Å; W105-M149 HydrophobicContact CZ2-SD 4.33Å; W105-M149 HydrophobicContact CZ3-CG 4.08Å; N139-M149 HydrophobicContact CB-CE 4.11Å; N139-M149 HydrophobicContact CB-SD 4.16Å; N139-M149 VanDerWaalsContact CG-SD 3.59Å; N139-M149 WeakPolarHBondContact ND2-CE 3.34Å; N139-M149 PolarHBondContact ND2-SD 3.48Å; V144-M149 HydrophobicContact CB-CG 4.38Å; V144-M149 HydrophobicContact CB-SD 3.81Å; V144-M149 HydrophobicContact CG1-CG 3.54Å; V144-M149 HydrophobicContact CG1-SD 3.63Å; N145-M149 WeakPolarHBondContact O-CG 3.35Å; N145-M149 PolarHBondContact O-N 3.49Å; D146-M149 WeakPolarHBondContact O-CB 3.32Å; D146-M149 PolarHBondContact O-N 3.37Å; R147-M149 VanDerWaalsContact C-N 3.34Å; M149-L152 PolarHBondContact O-N 3.03Å; M149-S153 PolarHBondContact O-N 2.86Å |
| 150 | H | 91.6 | Very high | 90.3 | Very high | 114 Ų | 114 | 70.8 Ų | 70.8 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.7 | -178.9 | -90.7 | 0 | 0 | 0 | 111.2 | D146 R147 L148 L152 S153 | D146-H150 PolarHBondContact O-N 3.46Å; R147-H150 PolarHBondContact O-N 2.8Å; L148-H150 VanDerWaalsContact C-N 3.34Å; L148-H150 PolarHBondContact O-N 2.84Å; H150-L152 PolarHBondContact O-N 2.97Å; H150-S153 VanDerWaalsContact O-CB 3.29Å; H150-S153 WeakPolarHBondContact O-CB 3.49Å; H150-S153 PolarHBondContact O-N 3.09Å; H150-S153 PolarHBondContact O-OG 3.19Å |
| 151 | K | 92.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 9% | 0.087 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.2 | -34.3 | 179.8 | -70.6 | -179.3 | -178.8 | -59.3 | 0 | 114 | Y64 E67 A68 I71 R147 L148 | Y64-K151 HydrophobicContact CD1-CG 4Å; E67-K151 HydrophobicContact CB-CD 3.79Å; E67-K151 IonicContact OE1-NZ 3.7Å; E67-K151 PolarHBondContact OE1-NZ 2.97Å; E67-K151 VanDerWaalsContact OE2-CE 3.26Å; E67-K151 WeakPolarHBondContact OE2-CE 3.41Å; E67-K151 IonicContact OE2-NZ 2.71Å; E67-K151 PolarHBondContact OE2-NZ 3.39Å; A68-K151 HydrophobicContact CB-CB 4.17Å; I71-K151 HydrophobicContact CD1-CD 4.16Å; R147-K151 HydrophobicContact CG-CD 4.45Å; R147-K151 WeakPolarHBondContact O-CG 3.38Å; R147-K151 PolarHBondContact O-N 3.01Å; R147-K151 VanDerWaalsContact O-N 3.11Å; L148-K151 PolarHBondContact O-N 3.27Å |
| 152 | L | 91.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 5.5 | 176.1 | -68 | -175 | 0 | 0 | 0 | 113.6 | L65 A68 W105 A106 L110 L148 M149 H150 | L65-L152 HydrophobicContact CD1-CD2 3.86Å; A68-L152 HydrophobicContact CB-CD1 4.37Å; A68-L152 HydrophobicContact CB-CD2 3.6Å; A68-L152 HydrophobicContact CB-CG 3.77Å; W105-L152 HydrophobicContact CH2-CB 4.1Å; W105-L152 HydrophobicContact CZ3-CB 4.01Å; W105-L152 HydrophobicContact CZ3-CD1 3.97Å; A106-L152 HydrophobicContact CB-CD1 4.32Å; L110-L152 HydrophobicContact CD1-CD1 4.48Å; L110-L152 HydrophobicContact CD2-CD2 4.16Å; L110-L152 HydrophobicContact CG-CD1 4.43Å; L148-L152 HydrophobicContact CD2-CD1 3.82Å; L148-L152 HydrophobicContact CD2-CG 4.43Å; L148-L152 HydrophobicContact CG-CD1 4.3Å; L148-L152 PolarHBondContact O-N 3.31Å; M149-L152 PolarHBondContact O-N 3.03Å; H150-L152 PolarHBondContact O-N 2.97Å |
| 153 | S | 88.6 | Confident | 91.3 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | trans | -67.8 | 148.2 | 173.7 | 75.7 | 0 | 0 | 0 | 0 | 110.5 | M149 H150 E155 | M149-S153 PolarHBondContact O-N 2.86Å; H150-S153 VanDerWaalsContact O-CB 3.29Å; H150-S153 WeakPolarHBondContact O-CB 3.49Å; H150-S153 PolarHBondContact O-N 3.09Å; H150-S153 PolarHBondContact O-OG 3.19Å; S153-E155 PolarHBondContact O-N 3.4Å | ||
| 154 | V | 84.8 | Confident | 91.4 | Very high | 140 Ų | 140 | 62.3 Ų | 62.3 | 85% | 0.848 | 32% | 0.324 | S | S | * | . | trans | -91 | 14.3 | 179.7 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 155 | E | 88.1 | Confident | 91.5 | Very high | 148 Ų | 148 | 63 Ų | 63 | 69% | 0.692 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 146.3 | -178.2 | -64.8 | -172.2 | 177.4 | 0 | 0 | 111 | S153 | S153-E155 PolarHBondContact O-N 3.4Š|
| 156 | A | 86.8 | Confident | 91.5 | Very high | 82 Ų | 82 | 61.6 Ų | 61.6 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 133 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 157 | P | 90.3 | Very high | 91.6 | Very high | 12 Ų | 12 | 58.5 Ų | 58.5 | 8% | 0.078 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 141.6 | 174.4 | -24.6 | 34 | 0 | 0 | 0 | 110.9 | I60 R61 K159 L161 V162 | I60-P157 HydrophobicContact CB-CG 4.19Å; I60-P157 HydrophobicContact CD1-CB 4.28Å; I60-P157 HydrophobicContact CG2-CB 3.96Å; I60-P157 HydrophobicContact CG2-CG 3.81Å; R61-P157 HydrophobicContact CG-CG 4.42Å; P157-K159 PolarHBondContact O-N 2.73Å; P157-L161 HydrophobicContact CB-CD2 4.49Å; P157-V162 HydrophobicContact CB-CG2 4.39Å |
| 158 | P | 90.4 | Very high | 91.7 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 140.5 | 178.8 | 26.5 | -33.5 | 0 | 0 | 0 | 110 | I160 L161 V162 | P158-I160 HydrophobicContact CB-CG2 4.19Å; P158-I160 PolarHBondContact O-N 2.84Å; P158-I160 VanDerWaalsContact O-N 3.09Å; P158-L161 HydrophobicContact CG-CB 3.89Å; P158-L161 WeakPolarHBondContact O-CA 3.25Å; P158-L161 WeakPolarHBondContact O-CB 3.45Å; P158-L161 PolarHBondContact O-N 2.93Å; P158-V162 PolarHBondContact O-N 3.2Å |
| 159 | K | 90.1 | Very high | 91.7 | Very high | 159 Ų | 159 | 56.6 Ų | 56.6 | 69% | 0.691 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -55.8 | -32.7 | -175.1 | -64.5 | -174.5 | 178.3 | -176.9 | 0 | 113.2 | P157 L161 V162 E163 V183 | P157-K159 PolarHBondContact O-N 2.73Å; K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.2Å; K159-V162 WeakPolarHBondContact O-CB 3.5Å; K159-V162 PolarHBondContact O-N 3.32Å; K159-E163 WeakPolarHBondContact O-CG 3.19Å; K159-E163 PolarHBondContact O-N 3.12Å; K159-V183 HydrophobicContact CB-CG1 3.82Å; K159-V183 HydrophobicContact CB-CG2 4.49Å |
| 160 | I | 91.5 | Very high | 91.7 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 175 | -172.8 | 56.7 | 0 | 0 | 0 | 112.8 | P158 R164 V183 M184 A187 | P158-I160 HydrophobicContact CB-CG2 4.19Å; P158-I160 PolarHBondContact O-N 2.84Å; P158-I160 VanDerWaalsContact O-N 3.09Å; I160-R164 WeakPolarHBondContact O-CB 3.36Å; I160-R164 VanDerWaalsContact O-CG 3.26Å; I160-R164 WeakPolarHBondContact O-CG 3.44Å; I160-R164 PolarHBondContact O-N 2.98Å; I160-V183 HydrophobicContact CB-CG1 4.43Å; I160-M184 HydrophobicContact CD1-SD 3.59Å; I160-M184 VanDerWaalsContact CD1-SD 3.59Å; I160-A187 HydrophobicContact CD1-CB 3.67Å; I160-A187 HydrophobicContact CG1-CB 3.82Å |
| 161 | L | 92.1 | Very high | 91.9 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71 | -38.8 | 176.6 | -176.3 | 64 | 0 | 0 | 0 | 110.8 | I60 Y64 P157 P158 K159 R164 Y165 | I60-L161 HydrophobicContact CD1-CG 4.28Å; I60-L161 HydrophobicContact CG2-CD2 3.87Å; Y64-L161 HydrophobicContact CE2-CD2 4.45Å; Y64-L161 VanDerWaalsContact OH-CD2 3.3Å; Y64-L161 WeakPolarHBondContact OH-CD2 3.42Å; P157-L161 HydrophobicContact CB-CD2 4.49Å; P158-L161 HydrophobicContact CG-CB 3.89Å; P158-L161 WeakPolarHBondContact O-CA 3.25Å; P158-L161 WeakPolarHBondContact O-CB 3.45Å; P158-L161 PolarHBondContact O-N 2.93Å; K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.2Å; L161-R164 PolarHBondContact O-N 3.41Å; L161-Y165 HydrophobicContact CD1-CD2 4Å; L161-Y165 HydrophobicContact CD1-CE2 4.03Å; L161-Y165 HydrophobicContact CG-CD2 4.16Å; L161-Y165 HydrophobicContact CG-CE2 4.33Å; L161-Y165 WeakPolarHBondContact O-CB 3.34Å; L161-Y165 WeakPolarHBondContact O-CD2 3.5Å; L161-Y165 PolarHBondContact O-N 3.26Å |
| 162 | V | 93.8 | Very high | 92 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.6 | -51.3 | 173.2 | 163.7 | 0 | 0 | 0 | 0 | 111.1 | R53 V56 E57 I60 P157 P158 K159 Y165 L166 | R53-V162 HydrophobicContact CB-CG1 4.3Å; R53-V162 HydrophobicContact CG-CG1 4.21Å; V56-V162 HydrophobicContact CG1-CB 4.19Å; V56-V162 HydrophobicContact CG1-CG1 3.58Å; V56-V162 HydrophobicContact CG1-CG2 4.3Å; E57-V162 HydrophobicContact CG-CG2 3.66Å; I60-V162 HydrophobicContact CD1-CG2 3.87Å; P157-V162 HydrophobicContact CB-CG2 4.39Å; P158-V162 PolarHBondContact O-N 3.2Å; K159-V162 WeakPolarHBondContact O-CB 3.5Å; K159-V162 PolarHBondContact O-N 3.32Å; V162-Y165 PolarHBondContact O-N 3.28Å; V162-L166 HydrophobicContact CG1-CD1 4.31Å; V162-L166 WeakPolarHBondContact O-CG 3.29Å; V162-L166 PolarHBondContact O-N 2.85Å |
| 163 | E | 93.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 179.4 | -67.1 | -70.8 | 141.3 | 0 | 0 | 111.5 | R53 K159 Y165 L166 I167 Y177 P179 D180 V183 M184 | R53-E163 IonicContact CZ-OE1 3.67Å; R53-E163 IonicContact NE-OE1 3.52Å; R53-E163 PolarHBondContact NE-OE1 3.08Å; R53-E163 IonicContact NH2-OE1 2.92Å; K159-E163 WeakPolarHBondContact O-CG 3.19Å; K159-E163 PolarHBondContact O-N 3.12Å; E163-Y165 PolarHBondContact O-N 3.18Å; E163-L166 PolarHBondContact O-N 3.06Å; E163-I167 VanDerWaalsContact O-CG1 3.25Å; E163-I167 WeakPolarHBondContact O-CG1 3.41Å; E163-I167 PolarHBondContact O-N 3.21Å; E163-Y177 PolarHBondContact OE1-OH 3.02Å; E163-Y177 PolarHBondContact OE2-OH 3.41Å; E163-P179 WeakPolarHBondContact OE2-CA 3.33Å; E163-D180 PolarHBondContact OE2-N 3.09Å; E163-V183 HydrophobicContact CG-CB 4.23Å; E163-V183 HydrophobicContact CG-CG1 3.84Å; E163-M184 HydrophobicContact CB-SD 4.13Å |
| 164 | R | 93.3 | Very high | 92.5 | Very high | 84 Ų | 84 | 68.8 Ų | 68.8 | 32% | 0.317 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 174.1 | -75.5 | 176.5 | -175.1 | -168.2 | 2.2 | 112.4 | I160 L161 L166 I167 E168 | I160-R164 WeakPolarHBondContact O-CB 3.36Å; I160-R164 VanDerWaalsContact O-CG 3.26Å; I160-R164 WeakPolarHBondContact O-CG 3.44Å; I160-R164 PolarHBondContact O-N 2.98Å; L161-R164 PolarHBondContact O-N 3.41Å; R164-L166 VanDerWaalsContact C-N 3.34Å; R164-L166 PolarHBondContact O-N 2.85Å; R164-I167 PolarHBondContact O-N 3.09Å; R164-E168 WeakPolarHBondContact O-CG 3.47Å; R164-E168 PolarHBondContact O-N 3.02Å |
| 165 | Y | 95.1 | Very high | 92.9 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 8% | 0.078 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.2 | -103.9 | -105.3 | 0 | 0 | 0 | 112.1 | V56 I59 I60 D63 L161 V162 E163 E168 I169 | V56-Y165 HydrophobicContact CG2-CD1 3.96Å; V56-Y165 HydrophobicContact CG2-CG 4.2Å; I59-Y165 HydrophobicContact CG2-CE1 4.49Å; I60-Y165 HydrophobicContact CD1-CD1 4.47Å; I60-Y165 HydrophobicContact CD1-CD2 4.01Å; I60-Y165 HydrophobicContact CD1-CE2 4.48Å; I60-Y165 HydrophobicContact CD1-CG 4.01Å; I60-Y165 HydrophobicContact CG1-CD1 3.81Å; I60-Y165 HydrophobicContact CG1-CD2 3.8Å; I60-Y165 HydrophobicContact CG1-CE1 3.85Å; I60-Y165 HydrophobicContact CG1-CE2 3.86Å; I60-Y165 HydrophobicContact CG1-CG 3.77Å; D63-Y165 VanDerWaalsContact OD2-CE1 3.3Å; D63-Y165 WeakPolarHBondContact OD2-CE1 3.47Å; D63-Y165 PolarHBondContact OD2-OH 2.95Å; L161-Y165 HydrophobicContact CD1-CD2 4Å; L161-Y165 HydrophobicContact CD1-CE2 4.03Å; L161-Y165 HydrophobicContact CG-CD2 4.16Å; L161-Y165 HydrophobicContact CG-CE2 4.33Å; L161-Y165 WeakPolarHBondContact O-CB 3.34Å; L161-Y165 WeakPolarHBondContact O-CD2 3.5Å; L161-Y165 PolarHBondContact O-N 3.26Å; V162-Y165 PolarHBondContact O-N 3.28Å; E163-Y165 PolarHBondContact O-N 3.18Å; Y165-E168 PolarHBondContact O-N 3.3Å; Y165-I169 VanDerWaalsContact O-CG1 3.25Å; Y165-I169 WeakPolarHBondContact O-CG1 3.49Å; Y165-I169 PolarHBondContact O-N 3.49Å |
| 166 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.7 | -69.6 | 173.6 | 0 | 0 | 0 | 112 | I40 L44 A52 R53 V56 V162 E163 R164 E168 I169 A170 Y177 | I40-L166 HydrophobicContact CG2-CD2 3.73Å; L44-L166 HydrophobicContact CD1-CD2 4.42Å; L44-L166 HydrophobicContact CD2-CD2 4.45Å; A52-L166 HydrophobicContact CB-CD2 4.03Å; R53-L166 HydrophobicContact CB-CD1 4.43Å; R53-L166 HydrophobicContact CG-CD1 3.56Å; V56-L166 HydrophobicContact CB-CD2 3.97Å; V56-L166 HydrophobicContact CB-CG 4.41Å; V56-L166 HydrophobicContact CG1-CD1 4.38Å; V56-L166 HydrophobicContact CG1-CD2 4.06Å; V56-L166 HydrophobicContact CG1-CG 4.01Å; V56-L166 HydrophobicContact CG2-CD2 4.23Å; V162-L166 HydrophobicContact CG1-CD1 4.31Å; V162-L166 WeakPolarHBondContact O-CG 3.29Å; V162-L166 PolarHBondContact O-N 2.85Å; E163-L166 PolarHBondContact O-N 3.06Å; R164-L166 VanDerWaalsContact C-N 3.34Å; R164-L166 PolarHBondContact O-N 2.85Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-E168 PolarHBondContact O-N 2.94Å; L166-I169 PolarHBondContact O-N 3.42Å; L166-A170 WeakPolarHBondContact O-CB 3.42Å; L166-A170 PolarHBondContact O-N 2.97Å; L166-Y177 HydrophobicContact CB-CD1 4.13Å; L166-Y177 HydrophobicContact CB-CE1 3.49Å; L166-Y177 VanDerWaalsContact CB-CE1 3.49Å; L166-Y177 HydrophobicContact CB-CE2 4.48Å; L166-Y177 HydrophobicContact CD1-CE1 4.43Å; L166-Y177 HydrophobicContact CD1-CE2 4.37Å; L166-Y177 WeakPolarHBondContact CD1-OH 3.44Å |
| 167 | I | 93.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 29% | 0.292 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 174.7 | -66.8 | 162.5 | 0 | 0 | 0 | 110.6 | E163 R164 A170 K171 Y177 P179 M184 | E163-I167 VanDerWaalsContact O-CG1 3.25Å; E163-I167 WeakPolarHBondContact O-CG1 3.41Å; E163-I167 PolarHBondContact O-N 3.21Å; R164-I167 PolarHBondContact O-N 3.09Å; I167-A170 PolarHBondContact O-N 3.44Å; I167-K171 VanDerWaalsContact O-CB 3.29Å; I167-K171 WeakPolarHBondContact O-CB 3.41Å; I167-K171 PolarHBondContact O-N 3.44Å; I167-Y177 HydrophobicContact CG1-CD1 4.17Å; I167-Y177 HydrophobicContact CG1-CE1 4.13Å; I167-P179 HydrophobicContact CD1-CB 3.9Å; I167-P179 HydrophobicContact CD1-CG 4.11Å; I167-P179 HydrophobicContact CG1-CB 4.08Å; I167-P179 HydrophobicContact CG1-CG 4.34Å; I167-M184 HydrophobicContact CD1-CE 3.81Å; I167-M184 HydrophobicContact CD1-SD 4.15Å |
| 168 | E | 94.7 | Very high | 93.3 | Very high | 72 Ų | 72 | 67 Ų | 67 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 179.7 | -73.7 | -179 | -174.5 | 0 | 0 | 112.5 | R164 Y165 L166 K171 N172 | R164-E168 WeakPolarHBondContact O-CG 3.47Å; R164-E168 PolarHBondContact O-N 3.02Å; Y165-E168 PolarHBondContact O-N 3.3Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-E168 PolarHBondContact O-N 2.94Å; E168-K171 PolarHBondContact O-N 3.34Å; E168-N172 WeakPolarHBondContact O-CB 3.39Å; E168-N172 VanDerWaalsContact O-CG 3.23Å; E168-N172 PolarHBondContact O-N 2.86Å; E168-N172 PolarHBondContact O-ND2 3.3Å |
| 169 | I | 94.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 175.9 | -66.9 | 167.1 | 0 | 0 | 0 | 110.1 | R37 I40 A41 V56 Y165 L166 K171 N172 Y173 | R37-I169 HydrophobicContact CB-CD1 4.38Å; R37-I169 HydrophobicContact CB-CG1 4.44Å; R37-I169 HydrophobicContact CG-CD1 4.06Å; R37-I169 HydrophobicContact CG-CG1 4.32Å; I40-I169 HydrophobicContact CB-CD1 4.41Å; I40-I169 HydrophobicContact CB-CG2 4.32Å; I40-I169 HydrophobicContact CD1-CD1 3.98Å; I40-I169 HydrophobicContact CG2-CD1 4.07Å; I40-I169 HydrophobicContact CG2-CG2 3.99Å; A41-I169 HydrophobicContact CB-CG2 4.24Å; V56-I169 HydrophobicContact CG2-CD1 3.95Å; Y165-I169 VanDerWaalsContact O-CG1 3.25Å; Y165-I169 WeakPolarHBondContact O-CG1 3.49Å; Y165-I169 PolarHBondContact O-N 3.49Å; L166-I169 PolarHBondContact O-N 3.42Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 2.9Å; I169-N172 PolarHBondContact O-N 2.99Å; I169-Y173 HydrophobicContact CG2-CD2 3.91Å; I169-Y173 HydrophobicContact CG2-CE2 4.21Å; I169-Y173 WeakPolarHBondContact O-CD2 3.43Å; I169-Y173 PolarHBondContact O-N 3.21Å |
| 170 | A | 94.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 61.3 Ų | 61.3 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L44 L166 I167 N174 V175 Y177 | L44-A170 HydrophobicContact CD1-CB 4.02Å; L166-A170 WeakPolarHBondContact O-CB 3.42Å; L166-A170 PolarHBondContact O-N 2.97Å; I167-A170 PolarHBondContact O-N 3.44Å; A170-N174 WeakPolarHBondContact O-CA 3.22Å; A170-N174 PolarHBondContact O-N 3.24Å; A170-V175 WeakPolarHBondContact CB-O 3.45Å; A170-V175 PolarHBondContact O-N 3.3Å; A170-Y177 VanDerWaalsContact CB-CB 3.49Å; A170-Y177 HydrophobicContact CB-CD1 4.44Å; A170-Y177 HydrophobicContact CB-CG 4.25Å |
| 171 | K | 94.9 | Very high | 92.2 | Very high | 161 Ų | 161 | 63.9 Ų | 63.9 | 70% | 0.7 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 176.1 | -174.4 | -179.7 | 177.3 | -174.2 | 0 | 112.3 | I167 E168 I169 Y173 N174 | I167-K171 VanDerWaalsContact O-CB 3.29Å; I167-K171 WeakPolarHBondContact O-CB 3.41Å; I167-K171 PolarHBondContact O-N 3.44Å; E168-K171 PolarHBondContact O-N 3.34Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 2.9Å; K171-Y173 PolarHBondContact O-N 3.25Å; K171-N174 PolarHBondContact O-N 2.98Å |
| 172 | N | 95.1 | Very high | 91.6 | Very high | 95 Ų | 95 | 66.6 Ų | 66.6 | 51% | 0.508 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.3 | -32.6 | -177.4 | -74.7 | -13 | 0 | 0 | 0 | 113.3 | E168 I169 | E168-N172 WeakPolarHBondContact O-CB 3.39Å; E168-N172 VanDerWaalsContact O-CG 3.23Å; E168-N172 PolarHBondContact O-N 2.86Å; E168-N172 PolarHBondContact O-ND2 3.3Å; I169-N172 PolarHBondContact O-N 2.99Å |
| 173 | Y | 95.2 | Very high | 91 | Very high | 97 Ų | 97 | 67.2 Ų | 67.2 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 6.3 | 178.1 | -69.1 | -87 | 0 | 0 | 0 | 113.5 | R37 K38 A41 I169 K171 V175 | R37-Y173 HydrophobicContact CB-CE2 4.41Å; K38-Y173 HydrophobicContact CB-CE1 4.04Å; K38-Y173 HydrophobicContact CG-CE1 4Å; A41-Y173 HydrophobicContact CB-CD1 4.06Å; A41-Y173 HydrophobicContact CB-CD2 3.68Å; A41-Y173 HydrophobicContact CB-CE2 4.38Å; A41-Y173 HydrophobicContact CB-CG 3.49Å; A41-Y173 VanDerWaalsContact CB-CG 3.49Å; I169-Y173 HydrophobicContact CG2-CD2 3.91Å; I169-Y173 HydrophobicContact CG2-CE2 4.21Å; I169-Y173 WeakPolarHBondContact O-CD2 3.43Å; I169-Y173 PolarHBondContact O-N 3.21Å; K171-Y173 PolarHBondContact O-N 3.25Å; Y173-V175 VanDerWaalsContact C-N 3.29Å; Y173-V175 PolarHBondContact O-N 3.3Å |
| 174 | N | 94.5 | Very high | 90.4 | Very high | 149 Ų | 149 | 70.4 Ų | 70.4 | 80% | 0.797 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 39.1 | -179.1 | -57.3 | 108 | 0 | 0 | 0 | 114.2 | A170 K171 | A170-N174 WeakPolarHBondContact O-CA 3.22Å; A170-N174 PolarHBondContact O-N 3.24Å; K171-N174 PolarHBondContact O-N 2.98Å |
| 175 | V | 95.1 | Very high | 89.4 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | trans | -99.3 | 135.2 | 177.7 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | A41 L44 A45 A170 Y173 Y177 | A41-V175 HydrophobicContact CB-CG2 4.32Å; L44-V175 HydrophobicContact CB-CG1 3.78Å; A45-V175 HydrophobicContact CB-CG1 3.94Å; A45-V175 HydrophobicContact CB-CG2 4.38Å; A170-V175 WeakPolarHBondContact CB-O 3.45Å; A170-V175 PolarHBondContact O-N 3.3Å; Y173-V175 VanDerWaalsContact C-N 3.29Å; Y173-V175 PolarHBondContact O-N 3.3Å; V175-Y177 PolarHBondContact O-N 3.12Å | ||
| 176 | P | 91 | Very high | 88.1 | Confident | 118 Ų | 118 | 77 Ų | 77 | 77% | 0.766 | 41% | 0.414 | S | S | * | . | trans | -67 | 129.7 | 173.4 | 28.2 | -33.7 | 0 | 0 | 0 | 110 | ||||
| 177 | Y | 92.1 | Very high | 86.2 | Confident | 32 Ų | 32 | 78.2 Ų | 78.2 | 13% | 0.125 | 42% | 0.424 | C | S | . | . | trans | -142.7 | 130.9 | 176 | 175.7 | -114.8 | 0 | 0 | 0 | 109.5 | L44 E163 L166 I167 A170 V175 P179 | L44-Y177 HydrophobicContact CD1-CD2 4.47Å; L44-Y177 HydrophobicContact CD1-CG 4.48Å; L44-Y177 HydrophobicContact CD2-CD2 3.58Å; L44-Y177 HydrophobicContact CD2-CE2 3.85Å; L44-Y177 HydrophobicContact CD2-CG 4.36Å; E163-Y177 PolarHBondContact OE1-OH 3.02Å; E163-Y177 PolarHBondContact OE2-OH 3.41Å; L166-Y177 HydrophobicContact CB-CD1 4.13Å; L166-Y177 HydrophobicContact CB-CE1 3.49Å; L166-Y177 VanDerWaalsContact CB-CE1 3.49Å; L166-Y177 HydrophobicContact CB-CE2 4.48Å; L166-Y177 HydrophobicContact CD1-CE1 4.43Å; L166-Y177 HydrophobicContact CD1-CE2 4.37Å; L166-Y177 WeakPolarHBondContact CD1-OH 3.44Å; I167-Y177 HydrophobicContact CG1-CD1 4.17Å; I167-Y177 HydrophobicContact CG1-CE1 4.13Å; A170-Y177 VanDerWaalsContact CB-CB 3.49Å; A170-Y177 HydrophobicContact CB-CD1 4.44Å; A170-Y177 HydrophobicContact CB-CG 4.25Å; V175-Y177 PolarHBondContact O-N 3.12Å; Y177-P179 HydrophobicContact CE1-CB 4.06Å | ||
| 178 | E | 89.5 | Confident | 84.1 | Confident | 172 Ų | 172 | 80.6 Ų | 80.6 | 80% | 0.804 | 44% | 0.443 | S | S | * | . | trans | -104.9 | 112.7 | 174.3 | -68.3 | -171.8 | 168.3 | 0 | 0 | 108.9 | ||||
| 179 | P | 86.5 | Confident | 82 | Confident | 47 Ų | 47 | 82.8 Ų | 82.8 | 31% | 0.305 | 47% | 0.474 | S | S | . | . | trans | -72.4 | 156.5 | 179.9 | 30 | -34.4 | 0 | 0 | 0 | 111.7 | E163 I167 Y177 S181 M184 | E163-P179 WeakPolarHBondContact OE2-CA 3.33Å; I167-P179 HydrophobicContact CD1-CB 3.9Å; I167-P179 HydrophobicContact CD1-CG 4.11Å; I167-P179 HydrophobicContact CG1-CB 4.08Å; I167-P179 HydrophobicContact CG1-CG 4.34Å; Y177-P179 HydrophobicContact CE1-CB 4.06Å; P179-S181 PolarHBondContact O-N 3.21Å; P179-S181 VanDerWaalsContact O-N 3.09Å; P179-M184 HydrophobicContact CB-CG 4.05Å; P179-M184 HydrophobicContact CG-CG 4.43Å | ||
| 180 | D | 83.3 | Confident | 79.6 | Confident | 64 Ų | 64 | 86.1 Ų | 86.1 | 34% | 0.342 | 51% | 0.509 | S | S | . | . | trans | -67 | 112 | 176.6 | -171.3 | -20.7 | 0 | 0 | 0 | 110.6 | E163 V182 V183 M184 | E163-D180 PolarHBondContact OE2-N 3.09Å; D180-V182 PolarHBondContact O-N 3.22Å; D180-V182 PolarHBondContact OD1-N 3.45Å; D180-V183 HydrophobicContact CB-CB 4.18Å; D180-V183 HydrophobicContact CB-CG2 4Å; D180-V183 PolarHBondContact O-N 3.07Å; D180-M184 WeakPolarHBondContact O-CG 3.19Å; D180-M184 PolarHBondContact O-N 3.32Å | ||
| 181 | S | 78.9 | Confident | 77.2 | Confident | 94 Ų | 94 | 88 Ų | 88 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -29.3 | -175.9 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | P179 A185 | P179-S181 PolarHBondContact O-N 3.21Å; P179-S181 VanDerWaalsContact O-N 3.09Å; S181-A185 VanDerWaalsContact O-CB 3.22Å; S181-A185 WeakPolarHBondContact O-CB 3.38Å; S181-A185 PolarHBondContact O-N 3.46Å |
| 182 | V | 80.4 | Confident | 75.1 | Confident | 92 Ų | 92 | 89.8 Ų | 89.8 | 56% | 0.558 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72.2 | -45.9 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | D180 M184 A185 E186 | D180-V182 PolarHBondContact O-N 3.22Å; D180-V182 PolarHBondContact OD1-N 3.45Å; V182-M184 VanDerWaalsContact C-N 3.33Å; V182-M184 PolarHBondContact O-N 3.29Å; V182-A185 PolarHBondContact O-N 3.34Å; V182-E186 WeakPolarHBondContact O-CG 3.42Å; V182-E186 PolarHBondContact O-N 3Å; V182-E186 VanDerWaalsContact O-N 3.12Å |
| 183 | V | 79.9 | Confident | 72.9 | Confident | 19 Ų | 19 | 88.2 Ų | 88.2 | 12% | 0.115 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | 178.4 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | K159 I160 E163 D180 | K159-V183 HydrophobicContact CB-CG1 3.82Å; K159-V183 HydrophobicContact CB-CG2 4.49Å; I160-V183 HydrophobicContact CB-CG1 4.43Å; E163-V183 HydrophobicContact CG-CB 4.23Å; E163-V183 HydrophobicContact CG-CG1 3.84Å; D180-V183 HydrophobicContact CB-CB 4.18Å; D180-V183 HydrophobicContact CB-CG2 4Å; D180-V183 PolarHBondContact O-N 3.07Å |
| 184 | M | 80.5 | Confident | 70.9 | Confident | 71 Ų | 71 | 89.5 Ų | 89.5 | 35% | 0.35 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.6 | -30.1 | 177.3 | -66.3 | -61.9 | -72.5 | 0 | 0 | 113 | I160 E163 I167 P179 D180 V182 | I160-M184 HydrophobicContact CD1-SD 3.59Å; I160-M184 VanDerWaalsContact CD1-SD 3.59Å; E163-M184 HydrophobicContact CB-SD 4.13Å; I167-M184 HydrophobicContact CD1-CE 3.81Å; I167-M184 HydrophobicContact CD1-SD 4.15Å; P179-M184 HydrophobicContact CB-CG 4.05Å; P179-M184 HydrophobicContact CG-CG 4.43Å; D180-M184 WeakPolarHBondContact O-CG 3.19Å; D180-M184 PolarHBondContact O-N 3.32Å; V182-M184 VanDerWaalsContact C-N 3.33Å; V182-M184 PolarHBondContact O-N 3.29Å |
| 185 | A | 73.6 | Confident | 69.1 | Low | 85 Ų | 85 | 88.7 Ų | 88.7 | 70% | 0.702 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -78.1 | -26.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S181 V182 A187 | S181-A185 VanDerWaalsContact O-CB 3.22Å; S181-A185 WeakPolarHBondContact O-CB 3.38Å; S181-A185 PolarHBondContact O-N 3.46Å; V182-A185 PolarHBondContact O-N 3.34Å; A185-A187 VanDerWaalsContact C-N 3.28Å |
| 186 | E | 66.2 | Low | 66.9 | Low | 157 Ų | 157 | 89.6 Ų | 89.6 | 73% | 0.734 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -79.6 | -6.5 | 175.9 | -71.9 | -178.1 | 166.2 | 0 | 0 | 113.5 | V182 P188 | V182-E186 WeakPolarHBondContact O-CG 3.42Å; V182-E186 PolarHBondContact O-N 3Å; V182-E186 VanDerWaalsContact O-N 3.12Å; E186-P188 WeakPolarHBondContact O-CD 3.45Å |
| 187 | A | 56.3 | Low | 64.9 | Low | 25 Ų | 25 | 90.2 Ų | 90.2 | 21% | 0.207 | 55% | 0.549 | C | S | . | . | S | Bend | trans | -69.8 | 122.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | I160 A185 A189 | I160-A187 HydrophobicContact CD1-CB 3.67Å; I160-A187 HydrophobicContact CG1-CB 3.82Å; A185-A187 VanDerWaalsContact C-N 3.28Å; A187-A189 PolarHBondContact O-N 3.2Å |
| 188 | P | 50.1 | Low | 62.8 | Low | 108 Ų | 108 | 90.9 Ų | 90.9 | 70% | 0.701 | 56% | 0.557 | S | S | * | * | trans | -63.1 | 124.2 | 177.1 | 24.3 | -31.4 | 0 | 0 | 0 | 109.7 | E186 G190 | E186-P188 WeakPolarHBondContact O-CD 3.45Å; P188-G190 PolarHBondContact O-N 3.17Å | ||
| 189 | A | 49.4 | Very low | 60.7 | Low | 118 Ų | 118 | 86 Ų | 86 | 98% | 0.975 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 24 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A187 | A187-A189 PolarHBondContact O-N 3.2Š|
| 190 | G | 45.1 | Very low | 59 | Low | 76 Ų | 76 | 90 Ų | 90 | 78% | 0.784 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.1 | 13.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | P188 | P188-G190 PolarHBondContact O-N 3.17Š|
| 191 | G | 43.4 | Very low | 57 | Low | 45 Ų | 45 | 92.7 Ų | 92.7 | 46% | 0.464 | 58% | 0.584 | S | S | . | * | trans | -115.1 | 108.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A193 | G191-A193 PolarHBondContact O-N 3.13Š| ||
| 192 | E | 50.1 | Low | 55.3 | Low | 197 Ų | 197 | 95.1 Ų | 95.1 | 92% | 0.921 | 59% | 0.59 | S | S | * | * | trans | -61.4 | 87.2 | 157.4 | -63.8 | -155.6 | 164 | 0 | 0 | 107.4 | D194 | E192-D194 PolarHBondContact O-N 3.39Å; E192-D194 VanDerWaalsContact O-N 3.1Å | ||
| 193 | A | 50.3 | Low | 53.8 | Low | 63 Ų | 63 | 98.5 Ų | 98.5 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | trans | -63.8 | 109.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | G191 L195 | G191-A193 PolarHBondContact O-N 3.13Å; A193-L195 PolarHBondContact O-N 3.05Å | ||
| 194 | D | 51.7 | Low | 52.1 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 66% | 0.658 | 63% | 0.634 | S | S | * | * | trans | -18.5 | 91.6 | 173.4 | -97.7 | -22.7 | 0 | 0 | 0 | 111.1 | R147 E192 I196 | R147-D194 IonicContact CZ-OD2 3.18Å; R147-D194 IonicContact NH2-OD1 3.74Å; R147-D194 PolarHBondContact NH2-OD1 3.12Å; R147-D194 IonicContact NH2-OD2 2.73Å; R147-D194 PolarHBondContact NH2-OD2 3.27Å; E192-D194 PolarHBondContact O-N 3.39Å; E192-D194 VanDerWaalsContact O-N 3.1Å; D194-I196 PolarHBondContact O-N 3.49Å; D194-I196 VanDerWaalsContact O-N 3.13Å | ||
| 195 | L | 56.7 | Low | 50.8 | Low | 133 Ų | 133 | 110.1 Ų | 110.1 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | trans | -64.7 | 115.8 | 169 | -79.8 | 160.4 | 0 | 0 | 0 | 105 | A193 D197 | A193-L195 PolarHBondContact O-N 3.05Å; L195-D197 PolarHBondContact O-N 3.24Å | ||
| 196 | I | 50.5 | Low | 49.2 | Very low | 42 Ų | 42 | 115.3 Ų | 115.3 | 22% | 0.215 | 67% | 0.668 | C | S | . | * | trans | -59 | 120.9 | 163.4 | -54.5 | 162.7 | 0 | 0 | 0 | 104.6 | Y64 E67 D194 V198 | Y64-I196 HydrophobicContact CD1-CD1 4.15Å; Y64-I196 HydrophobicContact CE1-CD1 3.92Å; E67-I196 VanDerWaalsContact CD-CG2 3.49Å; E67-I196 HydrophobicContact CG-CG2 4.19Å; E67-I196 WeakPolarHBondContact OE1-CD1 3.4Å; E67-I196 VanDerWaalsContact OE1-CG1 3.25Å; E67-I196 WeakPolarHBondContact OE1-CG1 3.4Å; D194-I196 PolarHBondContact O-N 3.49Å; D194-I196 VanDerWaalsContact O-N 3.13Å; I196-V198 VanDerWaalsContact O-CG2 3.29Å; I196-V198 WeakPolarHBondContact O-CG2 3.5Å; I196-V198 PolarHBondContact O-N 3.45Å | ||
| 197 | D | 47.4 | Very low | 47.7 | Very low | 131 Ų | 131 | 110.9 Ų | 110.9 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -62.2 | 94.6 | 170.4 | -177.4 | 25.3 | 0 | 0 | 0 | 107.1 | L195 G199 | L195-D197 PolarHBondContact O-N 3.24Å; D197-G199 VanDerWaalsContact C-N 3.32Å; D197-G199 PolarHBondContact O-N 2.98Å | ||
| 198 | V | 49.4 | Very low | 46.5 | Very low | 46 Ų | 46 | 113.6 Ų | 113.6 | 28% | 0.279 | 70% | 0.695 | S | S | . | * | trans | -67.6 | 97.3 | 179.9 | -138.9 | 0 | 0 | 0 | 0 | 105.2 | I196 F200 | I196-V198 VanDerWaalsContact O-CG2 3.29Å; I196-V198 WeakPolarHBondContact O-CG2 3.5Å; I196-V198 PolarHBondContact O-N 3.45Å; V198-F200 VanDerWaalsContact C-N 3.25Å; V198-F200 HydrophobicContact CB-CD2 4.1Å; V198-F200 HydrophobicContact CB-CE2 4.43Å; V198-F200 HydrophobicContact CG1-CD2 4.27Å; V198-F200 HydrophobicContact CG1-CE2 4.12Å; V198-F200 WeakPolarHBondContact O-CD2 3.46Å; V198-F200 PolarHBondContact O-N 3.09Å | ||
| 199 | G | 45.3 | Very low | 46 | Very low | 69 Ų | 69 | 118.1 Ų | 118.1 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -50.8 | 81 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D197 | D197-G199 VanDerWaalsContact C-N 3.32Å; D197-G199 PolarHBondContact O-N 2.98Å |
| 200 | F | 49.8 | Very low | 45.3 | Very low | 131 Ų | 131 | 116 Ų | 116 | 58% | 0.575 | 70% | 0.696 | S | S | * | * | trans | -117.1 | 13 | 174.2 | -83.5 | -77.5 | 0 | 0 | 0 | 111.4 | V198 D202 | V198-F200 VanDerWaalsContact C-N 3.25Å; V198-F200 HydrophobicContact CB-CD2 4.1Å; V198-F200 HydrophobicContact CB-CE2 4.43Å; V198-F200 HydrophobicContact CG1-CD2 4.27Å; V198-F200 HydrophobicContact CG1-CE2 4.12Å; V198-F200 WeakPolarHBondContact O-CD2 3.46Å; V198-F200 PolarHBondContact O-N 3.09Å; F200-D202 VanDerWaalsContact C-N 3.34Å; F200-D202 PolarHBondContact O-N 2.99Å; F200-D202 VanDerWaalsContact O-N 3.16Å | ||
| 201 | T | 42.4 | Very low | 44.7 | Very low | 122 Ų | 122 | 116.2 Ų | 116.2 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -86.7 | 80 | 169.3 | 59 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 202 | D | 42.7 | Very low | 44.1 | Very low | 145 Ų | 145 | 118.3 Ų | 118.3 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | trans | -72.9 | 140.3 | 151.2 | -132.3 | -64.4 | 0 | 0 | 0 | 108 | F200 V204 | F200-D202 VanDerWaalsContact C-N 3.34Å; F200-D202 PolarHBondContact O-N 2.99Å; F200-D202 VanDerWaalsContact O-N 3.16Å; D202-V204 PolarHBondContact O-N 3.23Å | ||
| 203 | D | 48.5 | Very low | 43.2 | Very low | 162 Ų | 162 | 112.9 Ų | 112.9 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | trans | -51.6 | 83.5 | -173.4 | -75.2 | -88.9 | 0 | 0 | 0 | 115.4 | ||||
| 204 | V | 43.8 | Very low | 42.3 | Very low | 122 Ų | 122 | 113.9 Ų | 113.9 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | trans | -106.8 | 89.7 | 163.3 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | D202 K206 | D202-V204 PolarHBondContact O-N 3.23Å; V204-K206 HydrophobicContact CG1-CB 4.31Å; V204-K206 PolarHBondContact O-N 2.91Å | ||
| 205 | K | 53.8 | Low | 41.3 | Very low | 212 Ų | 212 | 112.3 Ų | 112.3 | 92% | 0.922 | 75% | 0.746 | S | S | * | * | trans | -51.8 | 94.4 | 160.1 | -160 | 177.9 | -170 | 174.1 | 0 | 110.3 | ||||
| 206 | K | 40 | Very low | 40.1 | Very low | 194 Ų | 194 | 109 Ų | 109 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -164 | 105.2 | 166.4 | -132.1 | 178.4 | -179.1 | 179.8 | 0 | 106.5 | V204 | V204-K206 HydrophobicContact CG1-CB 4.31Å; V204-K206 PolarHBondContact O-N 2.91Å | ||
| 207 | G | 34.3 | Very low | 39.3 | Very low | 64 Ų | 64 | 116.9 Ų | 116.9 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | cis | 133.1 | 90.9 | 48.2 | 0 | 0 | 0 | 0 | 0 | 104.3 | H209 | G207-H209 PolarHBondContact O-N 2.92Š| ||
| 208 | G | 32.6 | Very low | 38.5 | Very low | 82 Ų | 82 | 116.5 Ų | 116.5 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -59.4 | 130.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G210 | G208-G210 PolarHBondContact O-N 2.92Š| ||
| 209 | H | 37.9 | Very low | 37.9 | Very low | 204 Ų | 204 | 118.6 Ų | 118.6 | 94% | 0.944 | 80% | 0.802 | S | S | * | * | trans | -75 | 109.3 | 165.7 | -78.4 | 72.4 | 0 | 0 | 0 | 108.2 | G207 | G207-H209 PolarHBondContact O-N 2.92Š| ||
| 210 | G | 35.1 | Very low | 37.8 | Very low | 73 Ų | 73 | 121.1 Ų | 121.1 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -155.4 | 104.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G208 | G208-G210 PolarHBondContact O-N 2.92Š| ||
| 211 | G | 32.2 | Very low | 37.1 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 57.5 | 109.3 | 140.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 212 | G | 30.7 | Very low | 36.8 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | 64.6 | 124.2 | 118.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 213 | G | 31.1 | Very low | 36.4 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | 123.5 | 103.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 214 | G | 31.4 | Very low | 35.6 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | 78.2 | 118 | 121.9 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 215 | G | 31.9 | Very low | 35 | Very low | 89 Ų | 89 | 121.1 Ų | 121.1 | 92% | 0.918 | 81% | 0.814 | S | S | * | * | trans | 84.2 | 136.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 216 | G | 31.3 | Very low | 34 | Very low | 63 Ų | 63 | 114 Ų | 114 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | cis | 147.2 | 128.5 | 10.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 217 | F | 32.7 | Very low | 33.8 | Very low | 208 Ų | 208 | 113 Ų | 113 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | 64.1 | 139.4 | 165.7 | -75.5 | -98.4 | 0 | 0 | 0 | 116.3 | ||||
| 218 | T | 31.4 | Very low | 34.1 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | cis | -155.8 | 151.2 | 16.9 | 39.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 219 | A | 37.4 | Very low | 34.7 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -70.9 | 171.9 | 159 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 220 | P | 42.7 | Very low | 35.4 | Very low | 122 Ų | 122 | 116.6 Ų | 116.6 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | -146.4 | 136.7 | 64.7 | 33.9 | -12 | 0 | 0 | 0 | 117.3 | |||||
| 221 | L | 36.3 | Very low | 36 | Very low | 160 Ų | 160 | 119 Ų | 119 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | 24.9 | 114.9 | 120.7 | -148.4 | 140 | 0 | 0 | 0 | 120.6 | |||||
| 222 | V | 35.1 | Very low | 37.1 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | -164.2 | 136 | 138.7 | -176.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 223 | G | 33.8 | Very low | 38.1 | Very low | 55 Ų | 55 | 125.3 Ų | 125.3 | 57% | 0.567 | 80% | 0.795 | S | S | * | * | cis | 135 | 122.4 | 11.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 224 | H | 31.5 | Very low | 39.2 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | 90.7 | 113.3 | 156.1 | -69.1 | 68 | 0 | 0 | 0 | 121.9 | ||||
| 225 | D | 31.6 | Very low | 40.1 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | 53 | 126.7 | 124.4 | -70.1 | -46 | 0 | 0 | 0 | 121.9 | |||||
| 226 | G | 32.2 | Very low | 41.2 | Very low | 63 Ų | 63 | 133 Ų | 133 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | 119.8 | 93.9 | 128.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 227 | I | 37.4 | Very low | 42.2 | Very low | 172 Ų | 172 | 136 Ų | 136 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | 61.2 | 120.8 | 129.6 | -53.2 | 161.4 | 0 | 0 | 0 | 118.5 | |||||
| 228 | M | 40.5 | Very low | 43.3 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | -58.4 | 163.3 | 175 | -61.8 | -116.7 | -88.8 | 0 | 0 | 114.4 | M230 | M228-M230 HydrophobicContact CE-CG 4.29Š| ||
| 229 | P | 43.7 | Very low | 44.1 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | -139.8 | 144.9 | 98.7 | 32.6 | -16.8 | 0 | 0 | 0 | 114.8 | |||||
| 230 | M | 53.8 | Low | 45.1 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 144.6 | 168.6 | -81.1 | -155 | -179.9 | 0 | 0 | 111.9 | M228 | M228-M230 HydrophobicContact CE-CG 4.29Š|
| 231 | P | 47.5 | Very low | 45.6 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 125.7 | 164.4 | 31.1 | -28.4 | 0 | 0 | 0 | 110.8 | ||
| 232 | M | 55.9 | Low | 46.4 | Very low | 177 Ų | 177 | 135 Ų | 135 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 141.9 | 170.7 | -71.6 | -105.1 | -101.4 | 0 | 0 | 111.2 | ||
| 233 | P | 51.8 | Low | 47.7 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 129.9 | 173.7 | 29.8 | -30.4 | 0 | 0 | 0 | 111.4 | ||
| 234 | M | 53.1 | Low | 48.5 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 84% | 0.837 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 146.5 | 170.3 | -67.2 | -80.1 | -86.7 | 0 | 0 | 110.7 | V236 | M234-V236 PolarHBondContact O-N 3.46Š|
| 235 | P | 51 | Low | 49.3 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 120.7 | -179.7 | 30.1 | -31.2 | 0 | 0 | 0 | 110.8 | ||
| 236 | V | 55.2 | Low | 50.3 | Low | 130 Ų | 130 | 135.3 Ų | 135.3 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 136.8 | 168.8 | -73.5 | 0 | 0 | 0 | 0 | 110.3 | M234 | M234-V236 PolarHBondContact O-N 3.46Š|
| 237 | P | 52 | Low | 51.2 | Low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 130 | 176.4 | -11.2 | 26.6 | 0 | 0 | 0 | 111.2 | ||
| 238 | M | 56.2 | Low | 52.2 | Low | 180 Ų | 180 | 138.5 Ų | 138.5 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 131.3 | 170.1 | -78 | -92.1 | -82.1 | 0 | 0 | 110.9 | ||
| 239 | P | 46.7 | Very low | 53.1 | Low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 126 | 164.8 | 29.7 | -27.5 | 0 | 0 | 0 | 109.9 | ||
| 240 | S | 60 | Low | 53.5 | Low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 150.2 | 173.8 | 31 | 0 | 0 | 0 | 0 | 112.7 | ||
| 241 | P | 51.6 | Low | 53.4 | Low | 127 Ų | 127 | 139.3 Ų | 139.3 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 129.2 | -177 | 28.9 | -33 | 0 | 0 | 0 | 111.9 | ||
| 242 | N | 53.7 | Low | 53.6 | Low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142 | 169.9 | -78.6 | -20.5 | 0 | 0 | 0 | 110.8 | ||
| 243 | P | 62.2 | Low | 53.2 | Low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 150.9 | 174.4 | 28.9 | -33.2 | 0 | 0 | 0 | 111.5 | ||
| 244 | P | 50.3 | Low | 52.9 | Low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 141.8 | 178.4 | 27.4 | -32.6 | 0 | 0 | 0 | 111.7 | S246 | P244-S246 PolarHBondContact O-N 3.43Š|
| 245 | F | 49.6 | Very low | 52.5 | Low | 180 Ų | 180 | 137 Ų | 137 | 79% | 0.789 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118.4 | 177.5 | -157.2 | -97.7 | 0 | 0 | 0 | 110.4 | Y247 | F245-Y247 HydrophobicContact CD1-CE2 4.47Š|
| 246 | S | 52.3 | Low | 51.9 | Low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 117.6 | 179.3 | -161.4 | 0 | 0 | 0 | 0 | 109.8 | P244 | P244-S246 PolarHBondContact O-N 3.43Š|
| 247 | Y | 50.8 | Low | 51.2 | Low | 192 Ų | 192 | 140.9 Ų | 140.9 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 138.8 | 174.3 | -77.3 | -91.3 | 0 | 0 | 0 | 111 | F245 | F245-Y247 HydrophobicContact CD1-CE2 4.47Š|
| 248 | P | 58.4 | Low | 51 | Low | 110 Ų | 110 | 138.9 Ų | 138.9 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 146.1 | 168.5 | 28.2 | -31.1 | 0 | 0 | 0 | 110.6 | ||
| 249 | P | 59.1 | Low | 50.3 | Low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148.3 | -179.8 | 26.6 | -33.1 | 0 | 0 | 0 | 111.4 | K251 | P249-K251 PolarHBondContact O-N 2.91Š|
| 250 | P | 52 | Low | 49.8 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.7 | 178.5 | 26.3 | -31.4 | 0 | 0 | 0 | 109.7 | G252 | P250-G252 PolarHBondContact O-N 2.92Š|
| 251 | K | 51.2 | Low | 48.9 | Very low | 205 Ų | 205 | 139.8 Ų | 139.8 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133.1 | 169 | -71.2 | -178.1 | 176.5 | 179.1 | 0 | 108.3 | P249 | P249-K251 PolarHBondContact O-N 2.91Š|
| 252 | G | 53.1 | Low | 48.3 | Very low | 58 Ų | 58 | 137.1 Ų | 137.1 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 168.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P250 E254 | P250-G252 PolarHBondContact O-N 2.92Å; G252-E254 PolarHBondContact O-N 3.34Å |
| 253 | P | 47.9 | Very low | 47.6 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -70.3 | 115.8 | -169.5 | 27.7 | -32.1 | 0 | 0 | 0 | 110.9 | ||||
| 254 | E | 44.1 | Very low | 46.4 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -77.2 | 126.6 | 161.7 | -70.2 | -163.7 | 150.4 | 0 | 0 | 109.3 | G252 F256 | G252-E254 PolarHBondContact O-N 3.34Å; E254-F256 PolarHBondContact O-N 3.48Å | ||
| 255 | N | 46.3 | Very low | 46 | Very low | 165 Ų | 165 | 143 Ų | 143 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -67.7 | 121.4 | 177.9 | -86.1 | -41.9 | 0 | 0 | 0 | 111 | ||||
| 256 | F | 37.7 | Very low | 45.4 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -136.8 | 114.6 | 158.2 | -153.5 | -97.8 | 0 | 0 | 0 | 110 | E254 | E254-F256 PolarHBondContact O-N 3.48Š| ||
| 257 | N | 39.8 | Very low | 44.6 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 66.3 | 66.5 | 171.8 | -84.6 | 4.8 | 0 | 0 | 0 | 120 | L259 | N257-L259 PolarHBondContact O-N 2.87Š|
| 258 | G | 47.9 | Very low | 44.1 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | 55 | 46.9 | 118.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 259 | L | 41.4 | Very low | 43.7 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 137.7 | 161.5 | -74.3 | 170.8 | 0 | 0 | 0 | 110.7 | N257 V261 | N257-L259 PolarHBondContact O-N 2.87Å; L259-V261 PolarHBondContact O-N 2.83Å | ||
| 260 | P | 36.3 | Very low | 43.3 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -79 | 110.2 | -175.2 | 31.1 | -31.3 | 0 | 0 | 0 | 110.5 | ||||
| 261 | V | 40.5 | Very low | 43 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 126.4 | 169 | 176 | 0 | 0 | 0 | 0 | 108.5 | L259 | L259-V261 PolarHBondContact O-N 2.83Š|
| 262 | G | 39.2 | Very low | 43.2 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 263 | T | 39.6 | Very low | 43.1 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.7 | 165.9 | -40.7 | 0 | 0 | 0 | 0 | 110.8 | Q265 | T263-Q265 PolarHBondContact O-N 3.21Š|
| 264 | Y | 36.9 | Very low | 43.2 | Very low | 215 Ų | 215 | 142.7 Ų | 142.7 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -64.4 | 115.2 | 167.2 | -105.9 | -100 | 0 | 0 | 0 | 109.6 | ||||
| 265 | Q | 42.5 | Very low | 43.9 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -88.5 | 139.4 | 163.5 | -79.2 | -173.8 | -70.6 | 0 | 0 | 109.9 | T263 | T263-Q265 PolarHBondContact O-N 3.21Š| ||
| 266 | P | 35.9 | Very low | 44.1 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -74.8 | 125.5 | 167.5 | 31.1 | -28.8 | 0 | 0 | 0 | 108.5 | A268 | P266-A268 PolarHBondContact O-N 3.18Å; P266-A268 VanDerWaalsContact O-N 3.15Å | ||
| 267 | F | 36.8 | Very low | 44.7 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -69.1 | 113.3 | -179.5 | -3.8 | -83.3 | 0 | 0 | 0 | 109.7 | ||||
| 268 | A | 39.4 | Very low | 45.3 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -65.7 | 153.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P266 | P266-A268 PolarHBondContact O-N 3.18Å; P266-A268 VanDerWaalsContact O-N 3.15Å | ||
| 269 | A | 49.8 | Very low | 45.7 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -52 | 151.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 270 | N | 50.4 | Low | 46.2 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | 92.2 | 70.1 | 173.4 | -71 | -2.6 | 0 | 0 | 0 | 119 | ||||
| 271 | I | 46.9 | Very low | 46.8 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -136.1 | 117.4 | 148.9 | -54.4 | -178.6 | 0 | 0 | 0 | 109.3 | ||||
| 272 | H | 54.6 | Low | 47.1 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 141.7 | 173.2 | -97.4 | -98.1 | 0 | 0 | 0 | 111 | ||
| 273 | P | 50.7 | Low | 47.2 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 149.5 | 167.7 | 29.1 | -31.6 | 0 | 0 | 0 | 110.9 | ||
| 274 | P | 50.8 | Low | 47.2 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69 | 147.2 | 178.2 | 29.4 | -32.7 | 0 | 0 | 0 | 110.9 | ||
| 275 | P | 57.8 | Low | 47.2 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 137.7 | -178.5 | 29 | -32.5 | 0 | 0 | 0 | 111.7 | ||
| 276 | I | 51 | Low | 47 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 134.2 | 173.2 | -52.5 | 169.2 | 0 | 0 | 0 | 108.2 | ||
| 277 | P | 51.4 | Low | 47 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 135.8 | 175.1 | -17.6 | 30.2 | 0 | 0 | 0 | 111.7 | N279 | P277-N279 PolarHBondContact O-N 3.23Š|
| 278 | A | 51.8 | Low | 46.9 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -89.9 | 16.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 279 | N | 56.3 | Low | 46.9 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -131.8 | 130.8 | -179.1 | -71.1 | 39.1 | 0 | 0 | 0 | 111.3 | P277 | P277-N279 PolarHBondContact O-N 3.23Š|
| 280 | P | 52.1 | Low | 46.1 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 153.2 | 171.1 | 30 | -33.3 | 0 | 0 | 0 | 110.5 | T282 | P280-T282 PolarHBondContact O-N 3.31Š|
| 281 | P | 48.9 | Very low | 45.3 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63 | 127.9 | 175.5 | 25.6 | -31.9 | 0 | 0 | 0 | 110.3 | Y283 | P281-Y283 PolarHBondContact O-N 3.04Š|
| 282 | T | 47.1 | Very low | 44.7 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 120.8 | 171.4 | -14.3 | 0 | 0 | 0 | 0 | 108.8 | P280 E284 | P280-T282 PolarHBondContact O-N 3.31Å; T282-E284 PolarHBondContact O-N 3.18Å |
| 283 | Y | 39.7 | Very low | 43.7 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 118.5 | 172.1 | -169.7 | -95.5 | 0 | 0 | 0 | 108.3 | P281 S285 | P281-Y283 PolarHBondContact O-N 3.04Å; Y283-S285 PolarHBondContact O-N 3.11Å |
| 284 | E | 40.8 | Very low | 42.7 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 119.8 | 167.8 | -79.7 | -159.5 | 151.8 | 0 | 0 | 109.1 | T282 I286 | T282-E284 PolarHBondContact O-N 3.18Å; E284-I286 PolarHBondContact O-N 3.48Å |
| 285 | S | 36.4 | Very low | 41.7 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 122.8 | 172.8 | -49.9 | 0 | 0 | 0 | 0 | 110.6 | Y283 D287 | Y283-S285 PolarHBondContact O-N 3.11Å; S285-D287 PolarHBondContact O-N 3.02Å |
| 286 | I | 37.6 | Very low | 40.4 | Very low | 136 Ų | 136 | 140 Ų | 140 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 116.1 | 165.3 | -63.3 | 163.4 | 0 | 0 | 0 | 106.6 | E284 E288 | E284-I286 PolarHBondContact O-N 3.48Å; I286-E288 PolarHBondContact O-N 3.07Å |
| 287 | D | 37.6 | Very low | 39.5 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -62 | 115.5 | 168.7 | -88.1 | -52.6 | 0 | 0 | 0 | 110 | S285 | S285-D287 PolarHBondContact O-N 3.02Š| ||
| 288 | E | 34 | Very low | 38.6 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79 | 129.2 | 162.3 | -81.4 | -171.4 | 121.3 | 0 | 0 | 109.8 | I286 | I286-E288 PolarHBondContact O-N 3.07Š|
| 289 | P | 39.3 | Very low | 37.7 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 118.5 | 162.2 | 30.2 | -27.6 | 0 | 0 | 0 | 110.2 | ||
| 290 | S | 33.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 136.5 | 170.5 | -49 | 0 | 0 | 0 | 0 | 113 | ||
| 291 | A | 34 | Very low | 35.3 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -149.2 | 112.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 292 | D | 33.2 | Very low | 34.4 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -49.7 | 138.1 | 173.8 | -60.9 | -64.6 | 0 | 0 | 0 | 113.6 | ||||
| 293 | K | 33.4 | Very low | 34.2 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -147.3 | 93.5 | 145.7 | -78 | -161.5 | 178.5 | 170.6 | 0 | 111.3 | ||||
| 294 | D | 30.5 | Very low | 33.7 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -66.3 | 135 | 146.5 | -90.6 | -49 | 0 | 0 | 0 | 109.9 | ||||
| 295 | V | 30.4 | Very low | 33.7 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -134.1 | 112.4 | 156.6 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 296 | S | 30.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -93.5 | 138.3 | 162.1 | -83.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 297 | S | 31.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 5.1 | 128.9 | 150.6 | -48.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 298 | A | 32.5 | Very low | 33.4 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | 52.1 | 115.9 | 135.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 299 | Q | 31.6 | Very low | 33.2 | Very low | 201 Ų | 201 | 131 Ų | 131 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | -179.3 | 155 | 112.4 | -103.4 | 179 | -61 | 0 | 0 | 113.2 | |||||
| 300 | V | 30.7 | Very low | 33.1 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -81.6 | 143.7 | -170.8 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 301 | S | 29.3 | Very low | 33.5 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 162.4 | 131.3 | 132.2 | -69.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 302 | G | 29.4 | Very low | 33.6 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -82.8 | -151.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 303 | P | 43.4 | Very low | 33.8 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | cis | -133.2 | 149.8 | -16.5 | 37.6 | -20.2 | 0 | 0 | 0 | 115.7 | ||||
| 304 | G | 28.9 | Very low | 33.7 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | 51.3 | 174.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 305 | P | 41 | Very low | 33.9 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | cis | -129.8 | 177.4 | -6.5 | 37.8 | -18.3 | 0 | 0 | 0 | 115.7 | ||||
| 306 | K | 34.6 | Very low | 33.9 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -51.2 | 167.6 | 165 | -86.3 | 176.7 | 178 | 177 | 0 | 113.9 | ||||
| 307 | P | 41.1 | Very low | 34 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | cis | -151.2 | 177.7 | 41.2 | 40.5 | -17.8 | 0 | 0 | 0 | 119.2 | ||||
| 308 | E | 28.4 | Very low | 34.6 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | 47.7 | 147.7 | 145.2 | -84.7 | 171.1 | 114.3 | 0 | 0 | 121.7 | ||||
| 309 | A | 31 | Very low | 34.6 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | cis | -161.2 | 161.2 | 10.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 310 | S | 37.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -66.5 | 162.2 | 170.3 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 311 | P | 39.9 | Very low | 34.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | -149.4 | 161.9 | 86.3 | 33.6 | -12.8 | 0 | 0 | 0 | 116.9 | |||||
| 312 | K | 36.1 | Very low | 35 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -71.6 | 163.2 | 167.1 | -84.9 | 175.6 | 170.3 | 174.1 | 0 | 112.1 | ||||
| 313 | P | 38.7 | Very low | 35.3 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | -144.9 | -172.4 | 104.5 | 33.4 | -13 | 0 | 0 | 0 | 115.8 | |||||
| 314 | K | 31.1 | Very low | 35.1 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -94.3 | 154.1 | -149.8 | -69.6 | 166.4 | 168.2 | 176 | 0 | 117.5 | ||||
| 315 | A | 33.8 | Very low | 35.8 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 41.1 | 128.6 | 132.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 316 | V | 30.3 | Very low | 35.9 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -155.5 | 139.9 | 143.6 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 317 | A | 34 | Very low | 36.5 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -117.7 | 167.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 318 | P | 44.6 | Very low | 37 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | cis | -147.1 | 173.8 | 38.4 | 38.1 | -15.4 | 0 | 0 | 0 | 116.6 | ||||
| 319 | D | 31.8 | Very low | 37.9 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | 175.2 | 129.7 | 124 | -93.6 | -28.2 | 0 | 0 | 0 | 115.7 | |||||
| 320 | T | 33.2 | Very low | 38.8 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 58% | 0.583 | 80% | 0.803 | S | S | * | * | trans | -17.2 | 160.9 | 160.9 | -37.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 321 | Y | 33.2 | Very low | 39.4 | Very low | 206 Ų | 206 | 145 Ų | 145 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | 89.1 | 127.9 | 167.8 | -44.8 | -77.8 | 0 | 0 | 0 | 115.3 | ||||
| 322 | D | 34.6 | Very low | 39.6 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | cis | -159.3 | 164.8 | 32.1 | -132.5 | -29.8 | 0 | 0 | 0 | 114.7 | ||||
| 323 | N | 35.2 | Very low | 39.9 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | trans | -75.9 | 141 | -167.9 | -69.7 | -90.4 | 0 | 0 | 0 | 115.8 | ||||
| 324 | F | 38.3 | Very low | 40.4 | Very low | 216 Ų | 216 | 142.8 Ų | 142.8 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -134 | 107.1 | 150.9 | -110.1 | -90.7 | 0 | 0 | 0 | 109.3 | ||||
| 325 | V | 44.1 | Very low | 41 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 120.8 | 178.2 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | ||
| 326 | L | 43.3 | Very low | 41.3 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 141 | 172.7 | -82.9 | 150.9 | 0 | 0 | 0 | 110.3 | ||
| 327 | P | 47.8 | Very low | 41.8 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 137.7 | 175.4 | -12.2 | 26.6 | 0 | 0 | 0 | 112.3 | ||
| 328 | E | 51.3 | Low | 41.9 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 137.4 | 169.5 | -93.6 | -179.6 | 146 | 0 | 0 | 111.7 | ||
| 329 | L | 46.9 | Very low | 41.5 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 142.1 | 176 | -68.6 | 166.8 | 0 | 0 | 0 | 110.8 | ||
| 330 | P | 49.4 | Very low | 41.8 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 141.4 | -179.6 | 27.7 | -33.6 | 0 | 0 | 0 | 112.9 | ||
| 331 | S | 50.2 | Low | 42 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 136.9 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 332 | V | 43.5 | Very low | 42 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 132.7 | -179.7 | -156.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 333 | P | 43.2 | Very low | 42 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 126.7 | 178 | 25.7 | -30.1 | 0 | 0 | 0 | 112.8 | T335 | P333-T335 PolarHBondContact O-N 3.32Š|
| 334 | D | 49.1 | Very low | 42 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -74.8 | 101.7 | 168.6 | -94.1 | -41.4 | 0 | 0 | 0 | 111 | ||||
| 335 | T | 43.3 | Very low | 41.8 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | -148.7 | 87.6 | 160.1 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | P333 | P333-T335 PolarHBondContact O-N 3.32Š| ||
| 336 | L | 39.9 | Very low | 41.8 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 136.4 | 160.4 | -72.9 | 171 | 0 | 0 | 0 | 109.6 | T338 | L336-T338 PolarHBondContact O-N 3.37Š|
| 337 | P | 40.8 | Very low | 41.7 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 117.4 | 161.3 | 17.3 | -4.7 | 0 | 0 | 0 | 109.9 | ||
| 338 | T | 37.2 | Very low | 41.9 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 125.1 | 165.3 | -65.4 | 0 | 0 | 0 | 0 | 110.6 | L336 | L336-T338 PolarHBondContact O-N 3.37Š|
| 339 | A | 35.6 | Very low | 41.7 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -142.4 | 96.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 340 | S | 37 | Very low | 42 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | 50.2 | 81 | 77.7 | -175.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 341 | A | 38.5 | Very low | 42.6 | Very low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -141.6 | 113.6 | 138.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 342 | G | 33.3 | Very low | 43.7 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -99.1 | -177.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 343 | A | 33.4 | Very low | 44.7 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 86.3 | 98.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 344 | N | 37 | Very low | 46.3 | Very low | 169 Ų | 169 | 126.4 Ų | 126.4 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | 34.5 | 114.4 | 132.9 | -65.6 | -1.9 | 0 | 0 | 0 | 119.1 | ||||
| 345 | S | 34.1 | Very low | 47.9 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | -148.2 | 121 | 125.1 | 60.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 346 | S | 43.7 | Very low | 49.6 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -77.2 | 105.7 | 163.6 | 39.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 347 | A | 41.2 | Very low | 51.4 | Low | 78 Ų | 78 | 116 Ų | 116 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | trans | -163 | 139.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | E349 | A347-E349 PolarHBondContact O-N 2.92Š| ||
| 348 | S | 51.9 | Low | 53.6 | Low | 112 Ų | 112 | 117.8 Ų | 117.8 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | -44.9 | 114.5 | 170.5 | 46.3 | 0 | 0 | 0 | 0 | 112.9 | D350 | S348-D350 PolarHBondContact O-N 3.4Š| ||
| 349 | E | 47.5 | Very low | 55.6 | Low | 182 Ų | 182 | 119.5 Ų | 119.5 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | trans | -95.7 | 84.2 | 166 | -70.6 | -174.5 | 163.5 | 0 | 0 | 108.8 | A347 I351 | A347-E349 PolarHBondContact O-N 2.92Å; E349-I351 PolarHBondContact O-N 2.97Å | ||
| 350 | D | 53.1 | Low | 57.8 | Low | 151 Ų | 151 | 121.8 Ų | 121.8 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | trans | -65.2 | 118.7 | 150.9 | -87.8 | -49.7 | 0 | 0 | 0 | 106.6 | S348 D352 | S348-D350 PolarHBondContact O-N 3.4Å; D350-D352 PolarHBondContact O-N 3.05Å | ||
| 351 | I | 60.8 | Low | 59.9 | Low | 128 Ų | 128 | 122.8 Ų | 122.8 | 66% | 0.656 | 69% | 0.694 | S | S | * | * | trans | -69.1 | 103.9 | 177.8 | -61.9 | 170.7 | 0 | 0 | 0 | 107.4 | E349 F353 L356 | E349-I351 PolarHBondContact O-N 2.97Å; I351-F353 PolarHBondContact O-N 3.28Å; I351-F353 VanDerWaalsContact O-N 3.17Å; I351-L356 HydrophobicContact CG2-CD1 3.68Å | ||
| 352 | D | 74.3 | Confident | 61.9 | Low | 116 Ų | 116 | 123.3 Ų | 123.3 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | trans | -76.6 | 103.8 | -176.7 | -137.8 | -28.7 | 0 | 0 | 0 | 110.4 | D350 D354 D355 L356 | D350-D352 PolarHBondContact O-N 3.05Å; D352-D354 PolarHBondContact O-N 3.26Å; D352-D355 PolarHBondContact O-N 3.09Å; D352-D355 VanDerWaalsContact O-N 3.11Å; D352-L356 PolarHBondContact O-N 3.3Å | ||
| 353 | F | 65 | Low | 63.7 | Low | 153 Ų | 153 | 126.1 Ų | 126.1 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.9 | -23.2 | -173.6 | -108.5 | -96.2 | 0 | 0 | 0 | 113.2 | I351 S357 | I351-F353 PolarHBondContact O-N 3.28Å; I351-F353 VanDerWaalsContact O-N 3.17Å; F353-S357 WeakPolarHBondContact O-CB 3.33Å; F353-S357 PolarHBondContact O-N 3.26Å; F353-S357 PolarHBondContact O-OG 3.3Å |
| 354 | D | 75.1 | Confident | 65.5 | Low | 131 Ų | 131 | 128.8 Ų | 128.8 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.4 | -34 | 175.4 | -85.7 | -15.7 | 0 | 0 | 0 | 112.2 | D352 S357 R358 | D352-D354 PolarHBondContact O-N 3.26Å; D354-S357 PolarHBondContact O-N 3.1Å; D354-R358 WeakPolarHBondContact O-CB 3.42Å; D354-R358 PolarHBondContact O-N 3.05Å |
| 355 | D | 83.3 | Confident | 67.1 | Low | 90 Ų | 90 | 129.7 Ų | 129.7 | 48% | 0.481 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -69.8 | -38.3 | 176.3 | -170.2 | 54.5 | 0 | 0 | 0 | 111.4 | D352 R358 R359 | D352-D355 PolarHBondContact O-N 3.09Å; D352-D355 VanDerWaalsContact O-N 3.11Å; D355-R358 PolarHBondContact O-N 3.48Å; D355-R359 WeakPolarHBondContact O-CB 3.45Å; D355-R359 PolarHBondContact O-N 3.45Å |
| 356 | L | 78.8 | Confident | 68.5 | Low | 85 Ų | 85 | 133.4 Ų | 133.4 | 45% | 0.445 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -65.2 | -41.3 | 174 | -68.8 | 177.5 | 0 | 0 | 0 | 112.2 | I351 D352 R358 R359 F360 | I351-L356 HydrophobicContact CG2-CD1 3.68Å; D352-L356 PolarHBondContact O-N 3.3Å; L356-R358 VanDerWaalsContact C-N 3.35Å; L356-R359 PolarHBondContact O-N 2.92Å; L356-F360 WeakPolarHBondContact O-CB 3.42Å; L356-F360 PolarHBondContact O-N 3.48Å |
| 357 | S | 77.4 | Confident | 68.5 | Low | 61 Ų | 61 | 136.3 Ų | 136.3 | 43% | 0.427 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -65.5 | -40.3 | 178 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | F353 D354 F360 E361 | F353-S357 WeakPolarHBondContact O-CB 3.33Å; F353-S357 PolarHBondContact O-N 3.26Å; F353-S357 PolarHBondContact O-OG 3.3Å; D354-S357 PolarHBondContact O-N 3.1Å; S357-F360 PolarHBondContact O-N 3.37Å; S357-E361 PolarHBondContact O-N 3.3Å; S357-E361 VanDerWaalsContact O-N 3.09Å |
| 358 | R | 86.5 | Confident | 69.9 | Low | 166 Ų | 166 | 139.3 Ų | 139.3 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.7 | -44.6 | 176.4 | -167.5 | -179.8 | -172.8 | -175 | 4.1 | 112.3 | D354 D355 L356 F360 E361 E362 | D354-R358 WeakPolarHBondContact O-CB 3.42Å; D354-R358 PolarHBondContact O-N 3.05Å; D355-R358 PolarHBondContact O-N 3.48Å; L356-R358 VanDerWaalsContact C-N 3.35Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 PolarHBondContact O-N 3.34Å; R358-E361 PolarHBondContact O-N 3.37Å; R358-E362 PolarHBondContact O-N 3.35Å; R358-E362 VanDerWaalsContact O-N 3.09Å |
| 359 | R | 79.5 | Confident | 70.9 | Confident | 169 Ų | 169 | 140.7 Ų | 140.7 | 64% | 0.638 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -62.2 | -34 | 175.1 | -92.2 | 178.7 | 139.1 | -173.9 | -2.5 | 112.8 | D355 L356 L363 | D355-R359 WeakPolarHBondContact O-CB 3.45Å; D355-R359 PolarHBondContact O-N 3.45Å; L356-R359 PolarHBondContact O-N 2.92Å; R359-L363 PolarHBondContact O-N 3.46Å |
| 360 | F | 82 | Confident | 72.1 | Confident | 143 Ų | 143 | 138.4 Ų | 138.4 | 63% | 0.627 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.4 | -40.4 | 176.3 | -173.7 | -100.9 | 0 | 0 | 0 | 112.3 | L356 S357 R358 E362 L363 K364 | L356-F360 WeakPolarHBondContact O-CB 3.42Å; L356-F360 PolarHBondContact O-N 3.48Å; S357-F360 PolarHBondContact O-N 3.37Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 PolarHBondContact O-N 3.34Å; F360-E362 VanDerWaalsContact C-N 3.35Å; F360-E362 PolarHBondContact O-N 3.24Å; F360-L363 PolarHBondContact O-N 3.19Å; F360-K364 HydrophobicContact CE1-CD 4.18Å; F360-K364 PolarHBondContact O-N 3.44Å |
| 361 | E | 82.1 | Confident | 73.3 | Confident | 134 Ų | 134 | 137.6 Ų | 137.6 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.3 | -35.2 | 175 | -78.3 | -166.7 | 148.7 | 0 | 0 | 113.1 | S357 R358 L363 K364 K365 | S357-E361 PolarHBondContact O-N 3.3Å; S357-E361 VanDerWaalsContact O-N 3.09Å; R358-E361 PolarHBondContact O-N 3.37Å; E361-L363 VanDerWaalsContact C-N 3.29Å; E361-L363 PolarHBondContact O-N 3.41Å; E361-K364 PolarHBondContact O-N 3.33Å; E361-K365 PolarHBondContact O-N 3.25Å |
| 362 | E | 80.4 | Confident | 74 | Confident | 115 Ų | 115 | 138.3 Ų | 138.3 | 54% | 0.537 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.9 | -32.2 | 175.3 | -75 | -178.4 | 176.5 | 0 | 0 | 112.5 | R358 F360 K365 | R358-E362 PolarHBondContact O-N 3.35Å; R358-E362 VanDerWaalsContact O-N 3.09Å; F360-E362 VanDerWaalsContact C-N 3.35Å; F360-E362 PolarHBondContact O-N 3.24Å; E362-K365 PolarHBondContact O-N 3.42Å |
| 363 | L | 69.7 | Low | 74 | Confident | 133 Ų | 133 | 139.7 Ų | 139.7 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.1 | -38.7 | 176.3 | -132.9 | 92.4 | 0 | 0 | 0 | 112 | R359 F360 E361 K365 K366 | R359-L363 PolarHBondContact O-N 3.46Å; F360-L363 PolarHBondContact O-N 3.19Å; E361-L363 VanDerWaalsContact C-N 3.29Å; E361-L363 PolarHBondContact O-N 3.41Å; L363-K365 VanDerWaalsContact C-N 3.25Å; L363-K365 PolarHBondContact O-N 3.25Å; L363-K366 PolarHBondContact O-N 3.15Å |
| 364 | K | 72.3 | Confident | 74.7 | Confident | 153 Ų | 153 | 138.8 Ų | 138.8 | 67% | 0.665 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.4 | -23.9 | 176.5 | -95.3 | -174.4 | 69.2 | -179.8 | 0 | 113.8 | F360 E361 K366 | F360-K364 HydrophobicContact CE1-CD 4.18Å; F360-K364 PolarHBondContact O-N 3.44Å; E361-K364 PolarHBondContact O-N 3.33Å; K364-K366 VanDerWaalsContact C-N 3.31Å |
| 365 | K | 71.3 | Confident | 74.6 | Confident | 187 Ų | 187 | 139.4 Ų | 139.4 | 81% | 0.813 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -6.8 | 176.5 | -84.2 | 179.4 | 176.1 | 170 | 0 | 113.8 | E361 E362 L363 | E361-K365 PolarHBondContact O-N 3.25Å; E362-K365 PolarHBondContact O-N 3.42Å; L363-K365 VanDerWaalsContact C-N 3.25Å; L363-K365 PolarHBondContact O-N 3.25Å |
| 366 | K | 63.1 | Low | 73.9 | Confident | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 8.3 | -176 | -122.7 | 177.2 | -176.4 | 176.2 | 0 | 114.3 | L363 K364 | L363-K366 PolarHBondContact O-N 3.15Å; K364-K366 VanDerWaalsContact C-N 3.31Å |
| 367 | T | 43.9 | Very low | 73.5 | Confident | 184 Ų | 184 | 148.8 Ų | 148.8 | 100% | 1.129 | 69% | 0.693 | S | S | * | * | trans | -121.7 | 0 | 167.8 | -53.6 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 367 of 367 residues in 355.8 ms
(Link to these results)