| 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 | 77.6 | Confident | 83.3 | Confident | 143 Ų | 143 | 71.2 Ų | 71.2 | 70% | 0.704 | 40% | 0.398 | S | S | * | . | 0 | 129.2 | 0 | -82.5 | 177.6 | -95.5 | 0 | 0 | 108.5 | A69 T70 A73 | M1-A69 HydrophobicContact CG-CB 3.65Å; M1-T70 VanDerWaalsContact SD-CA 3.57Å; M1-A73 HydrophobicContact CE-CB 3.68Å; M1-A73 HydrophobicContact SD-CB 4.17Å | |||
| 2 | L | 84.1 | Confident | 84.2 | Confident | 82 Ų | 82 | 73.1 Ų | 73.1 | 43% | 0.429 | 41% | 0.407 | S | S | . | . | trans | -75.7 | 152.4 | 171.8 | -60.3 | 173.1 | 0 | 0 | 0 | 109.4 | S66 | L2-S66 WeakPolarHBondContact CB-OG 3.43Å; L2-S66 PolarHBondContact N-OG 3.13Å | ||
| 3 | V | 83.9 | Confident | 84.9 | Confident | 124 Ų | 124 | 70.1 Ų | 70.1 | 75% | 0.752 | 39% | 0.392 | S | S | * | . | trans | -133.4 | 127.5 | 174 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | A | 81.9 | Confident | 85.5 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 31% | 0.306 | 37% | 0.37 | S | S | . | . | trans | -116.5 | 117.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A6 A7 E8 | A4-A6 PolarHBondContact O-N 3.48Å; A4-A7 HydrophobicContact CB-CB 3.96Å; A4-A7 WeakPolarHBondContact O-CB 3.3Å; A4-A7 PolarHBondContact O-N 2.86Å; A4-A7 VanDerWaalsContact O-N 3.07Å; A4-E8 PolarHBondContact O-N 2.93Å | ||
| 5 | A | 80.9 | Confident | 86.2 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.6 | -33.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A7 E8 R9 | A5-A7 VanDerWaalsContact C-N 3.34Å; A5-E8 PolarHBondContact O-N 2.94Å; A5-R9 PolarHBondContact O-N 2.85Å |
| 6 | A | 76.1 | Confident | 86.8 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.5 | -37 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A4 N10 | A4-A6 PolarHBondContact O-N 3.48Å; A6-N10 WeakPolarHBondContact O-CB 3.11Å; A6-N10 PolarHBondContact O-N 2.99Å |
| 7 | A | 84.8 | Confident | 87.3 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 7% | 0.066 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A4 A5 R9 N10 K11 Q40 H41 | A4-A7 HydrophobicContact CB-CB 3.96Å; A4-A7 WeakPolarHBondContact O-CB 3.3Å; A4-A7 PolarHBondContact O-N 2.86Å; A4-A7 VanDerWaalsContact O-N 3.07Å; A5-A7 VanDerWaalsContact C-N 3.34Å; A7-R9 PolarHBondContact O-N 2.94Å; A7-N10 PolarHBondContact O-N 3.36Å; A7-K11 WeakPolarHBondContact O-CB 3.42Å; A7-K11 PolarHBondContact O-N 3.39Å; A7-K11 VanDerWaalsContact O-N 3.07Å; A7-Q40 HydrophobicContact CB-CB 4.1Å; A7-H41 WeakPolarHBondContact CA-NE2 3.25Å; A7-H41 PolarHBondContact O-NE2 3.1Å |
| 8 | E | 85.8 | Confident | 87.8 | Confident | 92 Ų | 92 | 59.6 Ų | 59.6 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 178.5 | -171.6 | 61.2 | -167.2 | 0 | 0 | 112.7 | A4 A5 N10 K11 | A4-E8 PolarHBondContact O-N 2.93Å; A5-E8 PolarHBondContact O-N 2.94Å; E8-N10 VanDerWaalsContact C-N 3.34Å; E8-N10 PolarHBondContact O-N 3.33Å; E8-K11 WeakPolarHBondContact OE1-CE 3.34Å; E8-K11 IonicContact OE1-NZ 2.86Å; E8-K11 PolarHBondContact OE1-NZ 3.21Å; E8-K11 WeakPolarHBondContact OE2-CE 3.5Å; E8-K11 IonicContact OE2-NZ 2.62Å; E8-K11 PolarHBondContact OE2-NZ 3.32Å |
| 9 | R | 84.2 | Confident | 88.2 | Confident | 135 Ų | 135 | 64 Ų | 64 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.3 | -35.2 | 179.1 | -177.4 | 179.5 | 61.8 | -138.5 | -2.1 | 113.4 | A5 A7 | A5-R9 PolarHBondContact O-N 2.85Å; A7-R9 PolarHBondContact O-N 2.94Å |
| 10 | N | 85.4 | Confident | 88.6 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.032 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -98.8 | -10.3 | -169.4 | -66.7 | 0.7 | 0 | 0 | 0 | 113.6 | A6 A7 E8 D12 P13 I14 N176 | A6-N10 WeakPolarHBondContact O-CB 3.11Å; A6-N10 PolarHBondContact O-N 2.99Å; A7-N10 PolarHBondContact O-N 3.36Å; E8-N10 VanDerWaalsContact C-N 3.34Å; E8-N10 PolarHBondContact O-N 3.33Å; N10-D12 PolarHBondContact O-N 3.05Å; N10-P13 WeakPolarHBondContact O-CD 3.44Å; N10-I14 HydrophobicContact CB-CD1 3.92Å; N10-I14 WeakPolarHBondContact O-CB 3.31Å; N10-I14 WeakPolarHBondContact O-CD1 3.49Å; N10-I14 WeakPolarHBondContact O-CG1 3.23Å; N10-I14 PolarHBondContact O-N 3.43Å; N10-I14 VanDerWaalsContact O-N 3.12Å; N10-N176 PolarHBondContact ND2-ND2 2.96Å |
| 11 | K | 91.3 | Very high | 88.8 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -48.1 | -172.8 | 72.9 | -171.8 | 178.3 | -177.5 | 0 | 113.5 | A7 E8 I14 L15 H44 F45 | A7-K11 WeakPolarHBondContact O-CB 3.42Å; A7-K11 PolarHBondContact O-N 3.39Å; A7-K11 VanDerWaalsContact O-N 3.07Å; E8-K11 WeakPolarHBondContact OE1-CE 3.34Å; E8-K11 IonicContact OE1-NZ 2.86Å; E8-K11 PolarHBondContact OE1-NZ 3.21Å; E8-K11 WeakPolarHBondContact OE2-CE 3.5Å; E8-K11 IonicContact OE2-NZ 2.62Å; E8-K11 PolarHBondContact OE2-NZ 3.32Å; K11-I14 PolarHBondContact O-N 3.3Å; K11-L15 WeakPolarHBondContact O-CB 3.5Å; K11-L15 PolarHBondContact O-N 2.94Å; K11-H44 HydrophobicContact CD-CB 4.5Å; K11-F45 WeakPolarHBondContact O-CE1 3.36Å |
| 12 | D | 94.9 | Very high | 89.6 | Confident | 94 Ų | 94 | 60.2 Ų | 60.2 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.8 | -42.7 | -176.7 | -61.3 | -63.5 | 0 | 0 | 0 | 112.9 | N10 I14 L15 H16 H44 | N10-D12 PolarHBondContact O-N 3.05Å; D12-I14 VanDerWaalsContact C-N 3.33Å; D12-I14 PolarHBondContact O-N 3.37Å; D12-L15 PolarHBondContact O-N 3.13Å; D12-H16 PolarHBondContact O-N 3.03Å; D12-H44 IonicContact OD1-CE1 3.03Å; D12-H44 PolarHBondContact OD1-CE1 3.34Å; D12-H44 IonicContact OD1-NE2 3.91Å; D12-H44 PolarHBondContact OD1-NE2 3.21Å |
| 13 | P | 92.9 | Very high | 90.1 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.7 | -42.9 | 171.3 | -26.1 | 32.4 | 0 | 0 | 0 | 113.6 | N10 H16 V17 M172 P173 | N10-P13 WeakPolarHBondContact O-CD 3.44Å; P13-H16 WeakPolarHBondContact O-CB 3.45Å; P13-H16 PolarHBondContact O-N 3.29Å; P13-V17 PolarHBondContact O-N 3.03Å; P13-M172 HydrophobicContact CB-SD 3.78Å; P13-P173 HydrophobicContact CB-CG 4.21Å; P13-P173 HydrophobicContact CG-CG 3.67Å |
| 14 | I | 93.3 | Very high | 90.5 | Very high | 16 Ų | 16 | 57.4 Ų | 57.4 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 178.5 | -65.9 | 168.1 | 0 | 0 | 0 | 110.3 | N10 K11 D12 H16 V17 L18 F45 I108 M172 | N10-I14 HydrophobicContact CB-CD1 3.92Å; N10-I14 WeakPolarHBondContact O-CB 3.31Å; N10-I14 WeakPolarHBondContact O-CD1 3.49Å; N10-I14 WeakPolarHBondContact O-CG1 3.23Å; N10-I14 PolarHBondContact O-N 3.43Å; N10-I14 VanDerWaalsContact O-N 3.12Å; K11-I14 PolarHBondContact O-N 3.3Å; D12-I14 VanDerWaalsContact C-N 3.33Å; D12-I14 PolarHBondContact O-N 3.37Å; I14-H16 PolarHBondContact O-N 2.94Å; I14-V17 PolarHBondContact O-N 3.06Å; I14-L18 HydrophobicContact CG2-CD1 4.16Å; I14-L18 HydrophobicContact CG2-CG 4.32Å; I14-L18 WeakPolarHBondContact O-CG 3.44Å; I14-L18 PolarHBondContact O-N 3.1Å; I14-F45 HydrophobicContact CB-CE1 4.24Å; I14-F45 HydrophobicContact CB-CZ 3.85Å; I14-F45 HydrophobicContact CG2-CE1 4.03Å; I14-F45 HydrophobicContact CG2-CE2 4.09Å; I14-F45 HydrophobicContact CG2-CZ 3.44Å; I14-F45 VanDerWaalsContact CG2-CZ 3.44Å; I14-I108 HydrophobicContact CD1-CD1 4.06Å; I14-I108 HydrophobicContact CD1-CG1 4.28Å; I14-I108 HydrophobicContact CD1-CG2 3.72Å; I14-I108 HydrophobicContact CG2-CD1 4.04Å; I14-M172 HydrophobicContact CG1-SD 4.39Å |
| 15 | L | 96.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.3 | -38.2 | 175.8 | 176.6 | 58.5 | 0 | 0 | 0 | 111.8 | K11 D12 V17 L18 R19 H44 F45 A48 F49 | K11-L15 WeakPolarHBondContact O-CB 3.5Å; K11-L15 PolarHBondContact O-N 2.94Å; D12-L15 PolarHBondContact O-N 3.13Å; L15-V17 VanDerWaalsContact C-N 3.3Å; L15-V17 PolarHBondContact O-N 2.93Å; L15-L18 PolarHBondContact O-N 2.84Å; L15-R19 HydrophobicContact CD1-CG 4.27Å; L15-R19 WeakPolarHBondContact O-CG 3.41Å; L15-R19 PolarHBondContact O-N 2.86Å; L15-H44 WeakPolarHBondContact CD2-NE2 3.36Å; L15-F45 HydrophobicContact CB-CD1 4.06Å; L15-F45 HydrophobicContact CB-CE1 3.94Å; L15-F45 HydrophobicContact CD1-CD1 4.18Å; L15-A48 HydrophobicContact CD1-CB 3.44Å; L15-A48 VanDerWaalsContact CD1-CB 3.44Å; L15-A48 HydrophobicContact CD2-CB 3.82Å; L15-A48 HydrophobicContact CG-CB 4.29Å; L15-F49 HydrophobicContact CD1-CD2 4.44Å; L15-F49 HydrophobicContact CD1-CE2 3.49Å; L15-F49 VanDerWaalsContact CD1-CE2 3.49Å; L15-F49 HydrophobicContact CD1-CZ 3.79Å |
| 16 | H | 95.6 | Very high | 91.8 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.1 | -40 | 175.6 | -178.6 | 81.2 | 0 | 0 | 0 | 112.3 | D12 P13 I14 Q20 | D12-H16 PolarHBondContact O-N 3.03Å; P13-H16 WeakPolarHBondContact O-CB 3.45Å; P13-H16 PolarHBondContact O-N 3.29Å; I14-H16 PolarHBondContact O-N 2.94Å; H16-Q20 PolarHBondContact NE2-NE2 3.04Å |
| 17 | V | 95.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68 | -47.3 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | P13 I14 L15 R19 Q20 Y21 V170 M172 I180 | P13-V17 PolarHBondContact O-N 3.03Å; I14-V17 PolarHBondContact O-N 3.06Å; L15-V17 VanDerWaalsContact C-N 3.3Å; L15-V17 PolarHBondContact O-N 2.93Å; V17-R19 PolarHBondContact O-N 3.46Å; V17-Q20 VanDerWaalsContact O-CB 3.31Å; V17-Q20 WeakPolarHBondContact O-CB 3.44Å; V17-Q20 PolarHBondContact O-N 2.69Å; V17-Y21 HydrophobicContact CG1-CD2 4.41Å; V17-Y21 HydrophobicContact CG1-CE2 4.21Å; V17-Y21 WeakPolarHBondContact O-CD2 3.47Å; V17-V170 HydrophobicContact CG2-CB 4.4Å; V17-V170 HydrophobicContact CG2-CG1 4.13Å; V17-V170 HydrophobicContact CG2-CG2 4.46Å; V17-M172 HydrophobicContact CG2-CE 3.43Å; V17-M172 VanDerWaalsContact CG2-CE 3.43Å; V17-I180 HydrophobicContact CG1-CD1 4.18Å; V17-I180 HydrophobicContact CG1-CG1 4.32Å |
| 18 | L | 95.9 | Very high | 92.8 | Very high | 12 Ų | 12 | 69.3 Ų | 69.3 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.4 | -38 | -179.1 | -70.8 | 174.8 | 0 | 0 | 0 | 112.5 | I14 L15 Q20 Y21 L22 F45 F49 W54 L104 L106 | I14-L18 HydrophobicContact CG2-CD1 4.16Å; I14-L18 HydrophobicContact CG2-CG 4.32Å; I14-L18 WeakPolarHBondContact O-CG 3.44Å; I14-L18 PolarHBondContact O-N 3.1Å; L15-L18 PolarHBondContact O-N 2.84Å; L18-Q20 PolarHBondContact O-N 3.06Å; L18-Q20 VanDerWaalsContact O-N 3.13Å; L18-Y21 PolarHBondContact O-N 2.84Å; L18-L22 PolarHBondContact O-N 2.87Å; L18-F45 HydrophobicContact CD1-CB 4.32Å; L18-F45 HydrophobicContact CD1-CD1 3.79Å; L18-F45 HydrophobicContact CD1-CD2 3.92Å; L18-F45 HydrophobicContact CD1-CE1 4.04Å; L18-F45 HydrophobicContact CD1-CE2 4.14Å; L18-F45 HydrophobicContact CD1-CG 3.74Å; L18-F45 HydrophobicContact CD1-CZ 4.22Å; L18-F49 HydrophobicContact CB-CE2 3.87Å; L18-F49 HydrophobicContact CB-CZ 3.84Å; L18-F49 HydrophobicContact CD1-CE2 4.28Å; L18-W54 HydrophobicContact CD1-CH2 4.29Å; L18-L104 HydrophobicContact CD2-CD2 3.82Å; L18-L106 HydrophobicContact CD1-CD2 4.47Å; L18-L106 HydrophobicContact CD2-CD1 4.3Å |
| 19 | R | 96.3 | Very high | 93.3 | Very high | 143 Ų | 143 | 65.1 Ų | 65.1 | 54% | 0.54 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14 | 176.7 | -77.8 | 178.9 | 171.5 | 157.3 | -1 | 114.8 | L15 V17 Y21 F49 | L15-R19 HydrophobicContact CD1-CG 4.27Å; L15-R19 WeakPolarHBondContact O-CG 3.41Å; L15-R19 PolarHBondContact O-N 2.86Å; V17-R19 PolarHBondContact O-N 3.46Å; R19-Y21 VanDerWaalsContact C-N 3.35Å; R19-F49 HydrophobicContact CG-CE1 4.16Å; R19-F49 HydrophobicContact CG-CZ 3.85Å |
| 20 | Q | 94.9 | Very high | 94 | Very high | 91 Ų | 91 | 63.5 Ų | 63.5 | 43% | 0.425 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -17.3 | 174.9 | -59.1 | 176 | 2 | 0 | 0 | 111.9 | H16 V17 L18 | H16-Q20 PolarHBondContact NE2-NE2 3.04Å; V17-Q20 VanDerWaalsContact O-CB 3.31Å; V17-Q20 WeakPolarHBondContact O-CB 3.44Å; V17-Q20 PolarHBondContact O-N 2.69Å; L18-Q20 PolarHBondContact O-N 3.06Å; L18-Q20 VanDerWaalsContact O-N 3.13Å |
| 21 | Y | 93.3 | Very high | 94.6 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -23.1 | -175.5 | -66.1 | -82.2 | 0 | 0 | 0 | 113.3 | V17 L18 R19 E167 I180 | V17-Y21 HydrophobicContact CG1-CD2 4.41Å; V17-Y21 HydrophobicContact CG1-CE2 4.21Å; V17-Y21 WeakPolarHBondContact O-CD2 3.47Å; L18-Y21 PolarHBondContact O-N 2.84Å; R19-Y21 VanDerWaalsContact C-N 3.35Å; Y21-E167 WeakPolarHBondContact CE1-OE1 3.42Å; Y21-E167 PolarHBondContact OH-OE1 2.84Å; Y21-I180 HydrophobicContact CE1-CG2 3.86Å; Y21-I180 HydrophobicContact CE2-CG1 3.95Å; Y21-I180 HydrophobicContact CE2-CG2 4.13Å |
| 22 | L | 94.3 | Very high | 94.9 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | trans | -117.4 | 128.8 | 178.2 | -60.8 | -174.9 | 0 | 0 | 0 | 110.3 | L18 V29 V31 F49 L104 | L18-L22 PolarHBondContact O-N 2.87Å; L22-V29 HydrophobicContact CD2-CG1 3.78Å; L22-V31 HydrophobicContact CD1-CG2 4.47Å; L22-F49 HydrophobicContact CB-CD1 3.91Å; L22-F49 HydrophobicContact CB-CE1 3.57Å; L22-F49 HydrophobicContact CB-CZ 4.05Å; L22-F49 HydrophobicContact CD1-CD1 4.43Å; L22-F49 HydrophobicContact CD1-CD2 4.29Å; L22-F49 HydrophobicContact CD1-CE1 4.42Å; L22-F49 HydrophobicContact CD1-CE2 4.28Å; L22-F49 HydrophobicContact CD1-CG 4.38Å; L22-F49 HydrophobicContact CD1-CZ 4.35Å; L22-L104 HydrophobicContact CD1-CD2 3.8Å; L22-L104 HydrophobicContact CD2-CD2 4.44Å; L22-L104 HydrophobicContact CG-CD2 4.31Å | ||
| 23 | D | 94.3 | Very high | 95 | Very high | 95 Ų | 95 | 57.2 Ų | 57.2 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | trans | -86.3 | 120.8 | 168.3 | 177.3 | 2 | 0 | 0 | 0 | 109.5 | A25 Q26 | D23-A25 PolarHBondContact O-N 3.19Å; D23-A25 VanDerWaalsContact O-N 3.1Å; D23-A25 WeakPolarHBondContact OD1-CB 3.45Å; D23-A25 PolarHBondContact OD1-N 2.84Å; D23-Q26 HydrophobicContact CB-CB 4.02Å; D23-Q26 VanDerWaalsContact O-CB 3.3Å; D23-Q26 WeakPolarHBondContact O-CB 3.24Å; D23-Q26 PolarHBondContact O-N 3.14Å | ||
| 24 | P | 94 | Very high | 95 | Very high | 53 Ų | 53 | 56 Ų | 56 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.8 | 174.7 | -25.7 | 35.3 | 0 | 0 | 0 | 115.1 | F49 | P24-F49 HydrophobicContact CB-CD1 4.32Å; P24-F49 HydrophobicContact CG-CD1 4.03Å; P24-F49 HydrophobicContact CG-CE1 3.99Å |
| 25 | A | 94.2 | Very high | 95 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 55% | 0.554 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D23 R27 L51 | D23-A25 PolarHBondContact O-N 3.19Å; D23-A25 VanDerWaalsContact O-N 3.1Å; D23-A25 WeakPolarHBondContact OD1-CB 3.45Å; D23-A25 PolarHBondContact OD1-N 2.84Å; A25-R27 PolarHBondContact O-N 3.39Å; A25-L51 WeakPolarHBondContact O-CD1 3.48Å |
| 26 | Q | 94 | Very high | 94.9 | Very high | 92 Ų | 92 | 56.4 Ų | 56.4 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | trans | -73.5 | 127.6 | -179.6 | -170.8 | -179.1 | -4.7 | 0 | 0 | 110.7 | D23 V29 L51 | D23-Q26 HydrophobicContact CB-CB 4.02Å; D23-Q26 VanDerWaalsContact O-CB 3.3Å; D23-Q26 WeakPolarHBondContact O-CB 3.24Å; D23-Q26 PolarHBondContact O-N 3.14Å; Q26-V29 HydrophobicContact CB-CG2 4.07Å; Q26-V29 HydrophobicContact CG-CG2 3.64Å; Q26-L51 WeakPolarHBondContact O-CB 3.5Å | ||
| 27 | R | 93.3 | Very high | 94.8 | Very high | 201 Ų | 201 | 51.7 Ų | 51.7 | 76% | 0.758 | 27% | 0.266 | S | S | * | . | trans | -92.4 | 150.9 | 175.7 | -68 | -178.1 | 175.2 | -129.4 | -0.8 | 111 | A25 V29 L51 | A25-R27 PolarHBondContact O-N 3.39Å; R27-V29 VanDerWaalsContact C-N 3.25Å; R27-V29 PolarHBondContact O-N 2.99Å; R27-L51 HydrophobicContact CG-CB 4.07Å; R27-L51 HydrophobicContact CG-CD1 3.87Å; R27-L51 HydrophobicContact CG-CD2 4.34Å; R27-L51 HydrophobicContact CG-CG 4.32Å | ||
| 28 | G | 90.5 | Very high | 94.7 | Very high | 54 Ų | 54 | 52 Ų | 52 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 78.8 | 5.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R30 L51 | G28-R30 PolarHBondContact O-N 2.8Å; G28-L51 PolarHBondContact N-O 3.2Å |
| 29 | V | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | trans | -62.4 | 123.6 | 168.2 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | L22 Q26 R27 V31 A52 E53 D103 | L22-V29 HydrophobicContact CD2-CG1 3.78Å; Q26-V29 HydrophobicContact CB-CG2 4.07Å; Q26-V29 HydrophobicContact CG-CG2 3.64Å; R27-V29 VanDerWaalsContact C-N 3.25Å; R27-V29 PolarHBondContact O-N 2.99Å; V29-V31 HydrophobicContact CG1-CG2 3.99Å; V29-A52 HydrophobicContact CB-CB 4.05Å; V29-A52 HydrophobicContact CG1-CB 4.41Å; V29-A52 CarbonylContact O-C 2.94Å; V29-A52 WeakPolarHBondContact O-CA 3.33Å; V29-E53 PolarHBondContact O-N 2.98Å; V29-D103 HydrophobicContact CG1-CB 3.93Å | ||
| 30 | R | 97.5 | Very high | 94.5 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.6 | 176 | -67.2 | 175.3 | -68.1 | 175.4 | 1.4 | 110.1 | G28 E53 S101 L102 D103 L104 | G28-R30 PolarHBondContact O-N 2.8Å; R30-E53 HydrophobicContact CG-CB 4.38Å; R30-S101 PolarHBondContact NE-O 3.14Å; R30-S101 PolarHBondContact NH1-O 3.4Å; R30-S101 PolarHBondContact NH2-O 3.18Å; R30-L102 HydrophobicContact CB-CD2 4.34Å; R30-D103 PolarHBondContact N-OD2 3.03Å; R30-D103 PolarHBondContact O-N 3.19Å; R30-L104 PolarHBondContact O-N 2.87Å |
| 31 | V | 97.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.5 | -179.2 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | L22 V29 E53 W54 Q55 L104 L106 | L22-V31 HydrophobicContact CD1-CG2 4.47Å; V29-V31 HydrophobicContact CG1-CG2 3.99Å; V31-E53 PolarHBondContact N-O 3.48Å; V31-W54 HydrophobicContact CB-CD2 4.08Å; V31-W54 HydrophobicContact CB-CE3 3.94Å; V31-W54 HydrophobicContact CB-CH2 4.5Å; V31-W54 HydrophobicContact CB-CZ3 4.16Å; V31-W54 HydrophobicContact CG1-CD2 4.12Å; V31-W54 HydrophobicContact CG1-CE3 4.14Å; V31-W54 HydrophobicContact CG1-CH2 3.85Å; V31-W54 HydrophobicContact CG1-CZ2 3.83Å; V31-W54 HydrophobicContact CG1-CZ3 4.01Å; V31-W54 HydrophobicContact CG2-CE3 3.94Å; V31-W54 HydrophobicContact CG2-CZ3 3.91Å; V31-Q55 WeakPolarHBondContact O-CB 3.32Å; V31-Q55 PolarHBondContact O-N 3.23Å; V31-L104 WeakPolarHBondContact CA-O 3.27Å; V31-L104 HydrophobicContact CG1-CB 4.22Å; V31-L104 HydrophobicContact CG1-CD2 4Å; V31-L104 HydrophobicContact CG1-CG 4.2Å; V31-L104 HydrophobicContact CG2-CB 4.18Å; V31-L104 HydrophobicContact CG2-CD2 4.34Å; V31-L106 HydrophobicContact CG1-CB 4.49Å |
| 32 | L | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.1 | 164.9 | 175 | 61.7 | 0 | 0 | 0 | 108.9 | V34 Q55 L85 W94 I97 L102 L104 L105 L106 | L32-V34 HydrophobicContact CD2-CG2 3.97Å; L32-V34 HydrophobicContact CG-CG2 4Å; L32-Q55 WeakPolarHBondContact CA-O 3.31Å; L32-Q55 HydrophobicContact CD1-CB 4.33Å; L32-Q55 HydrophobicContact CD1-CG 3.96Å; L32-Q55 WeakPolarHBondContact CD1-O 3.48Å; L32-L85 HydrophobicContact CD1-CD1 4.25Å; L32-L85 HydrophobicContact CD2-CD1 4.15Å; L32-W94 HydrophobicContact CD2-CE3 4.18Å; L32-W94 HydrophobicContact CD2-CZ3 4.19Å; L32-I97 HydrophobicContact CD1-CD1 3.54Å; L32-I97 HydrophobicContact CD2-CD1 3.74Å; L32-I97 HydrophobicContact CG-CD1 4.11Å; L32-L102 HydrophobicContact CB-CD1 3.5Å; L32-L102 VanDerWaalsContact CB-CD1 3.5Å; L32-L102 HydrophobicContact CB-CD2 3.95Å; L32-L102 HydrophobicContact CB-CG 4.36Å; L32-L102 HydrophobicContact CD2-CD1 3.78Å; L32-L102 HydrophobicContact CG-CD1 4.29Å; L32-L104 PolarHBondContact N-O 2.97Å; L32-L105 HydrophobicContact CD2-CD1 4.32Å; L32-L105 WeakPolarHBondContact O-CA 3.42Å; L32-L106 PolarHBondContact O-N 3.07Å |
| 33 | E | 97.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 106.4 | 170.8 | -174.6 | 179 | 168.6 | 0 | 0 | 110.2 | S36 H41 A42 W54 Q55 S57 L106 | E33-S36 WeakPolarHBondContact CG-OG 3.49Å; E33-S36 PolarHBondContact O-OG 2.62Å; E33-H41 WeakPolarHBondContact OE1-CB 3.4Å; E33-A42 WeakPolarHBondContact OE2-CA 3.45Å; E33-A42 WeakPolarHBondContact OE2-CB 3.32Å; E33-A42 PolarHBondContact OE2-N 2.89Å; E33-A42 VanDerWaalsContact OE2-N 3.13Å; E33-W54 PolarHBondContact OE2-NE1 2.95Å; E33-Q55 PolarHBondContact N-O 3.04Å; E33-S57 PolarHBondContact O-N 2.81Å; E33-S57 PolarHBondContact O-OG 3.13Å; E33-L106 CarbonylContact C-O 3.57Å; E33-L106 WeakPolarHBondContact CA-O 3.34Å; E33-L106 HydrophobicContact CB-CB 4.48Å; E33-L106 HydrophobicContact CG-CB 4.47Å; E33-L106 HydrophobicContact CG-CD2 4.24Å; E33-L106 HydrophobicContact CG-CG 4.46Å |
| 34 | V | 94.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 132.8 | 178.4 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | L32 V87 L105 L106 | L32-V34 HydrophobicContact CD2-CG2 3.97Å; L32-V34 HydrophobicContact CG-CG2 4Å; V34-V87 HydrophobicContact CG1-CG1 3.46Å; V34-V87 VanDerWaalsContact CG1-CG1 3.46Å; V34-L105 HydrophobicContact CG2-CD2 4.26Å; V34-L105 HydrophobicContact CG2-CG 4.37Å; V34-L106 PolarHBondContact N-O 3.29Å |
| 35 | A | 91.9 | Very high | 95.3 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 56.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G37 S57 M110 | A35-G37 PolarHBondContact O-N 2.8Å; A35-G37 VanDerWaalsContact O-N 3.14Å; A35-S57 CarbonylContact C-O 3.16Å; A35-S57 VanDerWaalsContact CA-O 3.29Å; A35-S57 WeakPolarHBondContact CA-O 3.49Å; A35-S57 PolarHBondContact N-O 2.89Å; A35-M110 HydrophobicContact CB-CB 3.68Å; A35-M110 HydrophobicContact CB-CG 3.19Å |
| 36 | S | 94.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | trans | -64.9 | -12.9 | -178.2 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | E33 S38 G39 P56 S57 | E33-S36 WeakPolarHBondContact CG-OG 3.49Å; E33-S36 PolarHBondContact O-OG 2.62Å; S36-S38 PolarHBondContact O-N 2.62Å; S36-G39 PolarHBondContact O-N 2.88Å; S36-P56 WeakPolarHBondContact OG-CA 3.37Å; S36-P56 VanDerWaalsContact OG-CB 3.26Å; S36-P56 WeakPolarHBondContact OG-CB 3.4Å; S36-S57 PolarHBondContact N-O 2.97Å; S36-S57 PolarHBondContact OG-N 3.3Å; S36-S57 PolarHBondContact OG-O 2.88Å | ||
| 37 | G | 92.8 | Very high | 95.6 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 22% | 0.216 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -118.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | A35 G39 D58 C63 | A35-G37 PolarHBondContact O-N 2.8Å; A35-G37 VanDerWaalsContact O-N 3.14Å; G37-G39 PolarHBondContact O-N 2.85Å; G37-D58 WeakPolarHBondContact CA-OD2 3.39Å; G37-D58 PolarHBondContact N-OD2 3.49Å; G37-C63 WeakPolarHBondContact O-CA 3.48Å; G37-C63 WeakPolarHBondContact O-CB 3.4Å |
| 38 | S | 92.5 | Very high | 95.8 | Very high | 12 Ų | 12 | 23.8 Ų | 23.8 | 8% | 0.084 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -18.9 | 179.9 | 62.7 | 0 | 0 | 0 | 0 | 114 | S36 Q40 S66 | S36-S38 PolarHBondContact O-N 2.62Å; S38-Q40 WeakPolarHBondContact OG-CG 3.09Å; S38-Q40 PolarHBondContact OG-N 3.42Å; S38-Q40 PolarHBondContact OG-OE1 3.41Å; S38-S66 PolarHBondContact O-OG 3.12Å |
| 39 | G | 94.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 83.9 | 3.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S36 G37 H41 A43 | S36-G39 PolarHBondContact O-N 2.88Å; G37-G39 PolarHBondContact O-N 2.85Å; G39-H41 VanDerWaalsContact C-N 3.34Å; G39-H41 PolarHBondContact O-N 3.1Å; G39-A43 WeakPolarHBondContact O-CB 3.5Å; G39-A43 PolarHBondContact O-N 3.49Å |
| 40 | Q | 94.9 | Very high | 96.1 | Very high | 30 Ų | 30 | 24.8 Ų | 24.8 | 14% | 0.14 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 178.5 | -76.6 | 170.2 | -95.7 | 0 | 0 | 112.8 | A7 S38 H44 | A7-Q40 HydrophobicContact CB-CB 4.1Å; S38-Q40 WeakPolarHBondContact OG-CG 3.09Å; S38-Q40 PolarHBondContact OG-N 3.42Å; S38-Q40 PolarHBondContact OG-OE1 3.41Å; Q40-H44 WeakPolarHBondContact O-CB 3.46Å; Q40-H44 PolarHBondContact O-N 2.91Å |
| 41 | H | 95.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.046 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.5 | -55.3 | 178 | -80.6 | 168.2 | 0 | 0 | 0 | 111.2 | A7 E33 G39 A43 H44 F45 I108 | A7-H41 WeakPolarHBondContact CA-NE2 3.25Å; A7-H41 PolarHBondContact O-NE2 3.1Å; E33-H41 WeakPolarHBondContact OE1-CB 3.4Å; G39-H41 VanDerWaalsContact C-N 3.34Å; G39-H41 PolarHBondContact O-N 3.1Å; H41-A43 VanDerWaalsContact C-N 3.27Å; H41-A43 PolarHBondContact O-N 3.45Å; H41-H44 PolarHBondContact O-N 3.4Å; H41-F45 HydrophobicContact CB-CD2 4.1Å; H41-F45 HydrophobicContact CB-CE2 3.51Å; H41-F45 HydrophobicContact CB-CZ 4.07Å; H41-F45 AromaticContact CG-CE2 3.88Å; H41-F45 AromaticContact CG-CZ 3.98Å; H41-F45 WeakPolarHBondContact O-CD2 3.35Å; H41-F45 VanDerWaalsContact O-CG 3.27Å; H41-F45 WeakPolarHBondContact O-CG 3.27Å; H41-F45 PolarHBondContact O-N 3.29Å; H41-I108 HydrophobicContact CB-CD1 4.42Å |
| 42 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -44.8 | -51.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E33 A46 P56 | E33-A42 WeakPolarHBondContact OE2-CA 3.45Å; E33-A42 WeakPolarHBondContact OE2-CB 3.32Å; E33-A42 PolarHBondContact OE2-N 2.89Å; E33-A42 VanDerWaalsContact OE2-N 3.13Å; A42-A46 WeakPolarHBondContact O-CB 3.4Å; A42-A46 PolarHBondContact O-N 2.93Å; A42-P56 HydrophobicContact CB-CB 4.21Å |
| 43 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G39 H41 R47 T70 L76 | G39-A43 WeakPolarHBondContact O-CB 3.5Å; G39-A43 PolarHBondContact O-N 3.49Å; H41-A43 VanDerWaalsContact C-N 3.27Å; H41-A43 PolarHBondContact O-N 3.45Å; A43-R47 VanDerWaalsContact O-CG 3.3Å; A43-R47 WeakPolarHBondContact O-CG 3.45Å; A43-R47 PolarHBondContact O-N 2.87Å; A43-T70 HydrophobicContact CB-CG2 3.8Å; A43-L76 VanDerWaalsContact CA-CD1 3.49Å; A43-L76 HydrophobicContact CB-CD1 3.65Å |
| 44 | H | 97.7 | Very high | 96.1 | Very high | 41 Ų | 41 | 26.6 Ų | 26.6 | 19% | 0.19 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.6 | -44.2 | -179.7 | 179.2 | 78.2 | 0 | 0 | 0 | 112.1 | K11 D12 L15 Q40 H41 A48 | K11-H44 HydrophobicContact CD-CB 4.5Å; D12-H44 IonicContact OD1-CE1 3.03Å; D12-H44 PolarHBondContact OD1-CE1 3.34Å; D12-H44 IonicContact OD1-NE2 3.91Å; D12-H44 PolarHBondContact OD1-NE2 3.21Å; L15-H44 WeakPolarHBondContact CD2-NE2 3.36Å; Q40-H44 WeakPolarHBondContact O-CB 3.46Å; Q40-H44 PolarHBondContact O-N 2.91Å; H41-H44 PolarHBondContact O-N 3.4Å; H44-A48 PolarHBondContact O-N 3.43Å |
| 45 | F | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.1 | -41.5 | -179.4 | -54.4 | -37.9 | 0 | 0 | 0 | 111.9 | K11 I14 L15 L18 H41 R47 A48 F49 W54 L106 I108 | K11-F45 WeakPolarHBondContact O-CE1 3.36Å; I14-F45 HydrophobicContact CB-CE1 4.24Å; I14-F45 HydrophobicContact CB-CZ 3.85Å; I14-F45 HydrophobicContact CG2-CE1 4.03Å; I14-F45 HydrophobicContact CG2-CE2 4.09Å; I14-F45 HydrophobicContact CG2-CZ 3.44Å; I14-F45 VanDerWaalsContact CG2-CZ 3.44Å; L15-F45 HydrophobicContact CB-CD1 4.06Å; L15-F45 HydrophobicContact CB-CE1 3.94Å; L15-F45 HydrophobicContact CD1-CD1 4.18Å; L18-F45 HydrophobicContact CD1-CB 4.32Å; L18-F45 HydrophobicContact CD1-CD1 3.79Å; L18-F45 HydrophobicContact CD1-CD2 3.92Å; L18-F45 HydrophobicContact CD1-CE1 4.04Å; L18-F45 HydrophobicContact CD1-CE2 4.14Å; L18-F45 HydrophobicContact CD1-CG 3.74Å; L18-F45 HydrophobicContact CD1-CZ 4.22Å; H41-F45 HydrophobicContact CB-CD2 4.1Å; H41-F45 HydrophobicContact CB-CE2 3.51Å; H41-F45 HydrophobicContact CB-CZ 4.07Å; H41-F45 AromaticContact CG-CE2 3.88Å; H41-F45 AromaticContact CG-CZ 3.98Å; H41-F45 WeakPolarHBondContact O-CD2 3.35Å; H41-F45 VanDerWaalsContact O-CG 3.27Å; H41-F45 WeakPolarHBondContact O-CG 3.27Å; H41-F45 PolarHBondContact O-N 3.29Å; F45-R47 PolarHBondContact O-N 2.93Å; F45-A48 CarbonylContact O-C 3.59Å; F45-A48 WeakPolarHBondContact O-CA 3.4Å; F45-A48 WeakPolarHBondContact O-CB 3.36Å; F45-A48 PolarHBondContact O-N 3.35Å; F45-F49 HydrophobicContact CB-CD2 4.47Å; F45-F49 VanDerWaalsContact O-CD2 3.23Å; F45-F49 WeakPolarHBondContact O-CD2 3.42Å; F45-F49 PolarHBondContact O-N 3.3Å; F45-W54 HydrophobicContact CB-CE3 4.39Å; F45-W54 HydrophobicContact CB-CH2 3.27Å; F45-W54 HydrophobicContact CB-CZ2 3.61Å; F45-W54 HydrophobicContact CB-CZ3 3.71Å; F45-W54 AromaticContact CD2-CH2 3.87Å; F45-W54 HydrophobicContact CD2-CH2 3.87Å; F45-W54 AromaticContact CD2-CZ2 3.6Å; F45-W54 HydrophobicContact CD2-CZ2 3.6Å; F45-W54 AromaticContact CG-CH2 3.94Å; F45-W54 HydrophobicContact CG-CH2 3.94Å; F45-W54 HydrophobicContact CG-CZ2 4.07Å; F45-L106 HydrophobicContact CD2-CD2 3.92Å; F45-L106 HydrophobicContact CE2-CD2 3.9Å; F45-I108 HydrophobicContact CE2-CD1 3.58Å; F45-I108 HydrophobicContact CZ-CD1 4.1Å |
| 46 | A | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.9 | -33.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A42 F49 W54 N78 V79 | A42-A46 WeakPolarHBondContact O-CB 3.4Å; A42-A46 PolarHBondContact O-N 2.93Å; A46-F49 CarbonylContact O-C 3.42Å; A46-F49 VanDerWaalsContact O-C 3.25Å; A46-F49 PolarHBondContact O-N 2.98Å; A46-W54 HydrophobicContact CB-CB 4.22Å; A46-W54 HydrophobicContact CB-CG 4.36Å; A46-N78 PolarHBondContact O-ND2 2.92Å; A46-V79 HydrophobicContact CB-CG2 3.27Å |
| 47 | R | 97.3 | Very high | 96.7 | Very high | 163 Ų | 163 | 25.7 Ų | 25.7 | 62% | 0.615 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -67 | -34.6 | 171.9 | -74 | 176.2 | 62.9 | 164.1 | 1 | 113.4 | A43 F45 Q74 L76 | A43-R47 VanDerWaalsContact O-CG 3.3Å; A43-R47 WeakPolarHBondContact O-CG 3.45Å; A43-R47 PolarHBondContact O-N 2.87Å; F45-R47 PolarHBondContact O-N 2.93Å; R47-Q74 VanDerWaalsContact NH1-OE1 3.16Å; R47-L76 HydrophobicContact CG-CD2 3.38Å |
| 48 | A | 97.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 14% | 0.14 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -78.8 | -23.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L15 H44 F45 P50 | L15-A48 HydrophobicContact CD1-CB 3.44Å; L15-A48 VanDerWaalsContact CD1-CB 3.44Å; L15-A48 HydrophobicContact CD2-CB 3.82Å; L15-A48 HydrophobicContact CG-CB 4.29Å; H44-A48 PolarHBondContact O-N 3.43Å; F45-A48 CarbonylContact O-C 3.59Å; F45-A48 WeakPolarHBondContact O-CA 3.4Å; F45-A48 WeakPolarHBondContact O-CB 3.36Å; F45-A48 PolarHBondContact O-N 3.35Å; A48-P50 VanDerWaalsContact C-CD 3.46Å; A48-P50 WeakPolarHBondContact O-CD 3.12Å |
| 49 | F | 97.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -122.9 | 66.6 | 177.8 | -54.1 | -73.7 | 0 | 0 | 0 | 110.5 | L15 L18 R19 L22 P24 F45 A46 L51 A52 W54 N78 | L15-F49 HydrophobicContact CD1-CD2 4.44Å; L15-F49 HydrophobicContact CD1-CE2 3.49Å; L15-F49 VanDerWaalsContact CD1-CE2 3.49Å; L15-F49 HydrophobicContact CD1-CZ 3.79Å; L18-F49 HydrophobicContact CB-CE2 3.87Å; L18-F49 HydrophobicContact CB-CZ 3.84Å; L18-F49 HydrophobicContact CD1-CE2 4.28Å; R19-F49 HydrophobicContact CG-CE1 4.16Å; R19-F49 HydrophobicContact CG-CZ 3.85Å; L22-F49 HydrophobicContact CB-CD1 3.91Å; L22-F49 HydrophobicContact CB-CE1 3.57Å; L22-F49 HydrophobicContact CB-CZ 4.05Å; L22-F49 HydrophobicContact CD1-CD1 4.43Å; L22-F49 HydrophobicContact CD1-CD2 4.29Å; L22-F49 HydrophobicContact CD1-CE1 4.42Å; L22-F49 HydrophobicContact CD1-CE2 4.28Å; L22-F49 HydrophobicContact CD1-CG 4.38Å; L22-F49 HydrophobicContact CD1-CZ 4.35Å; P24-F49 HydrophobicContact CB-CD1 4.32Å; P24-F49 HydrophobicContact CG-CD1 4.03Å; P24-F49 HydrophobicContact CG-CE1 3.99Å; F45-F49 HydrophobicContact CB-CD2 4.47Å; F45-F49 VanDerWaalsContact O-CD2 3.23Å; F45-F49 WeakPolarHBondContact O-CD2 3.42Å; F45-F49 PolarHBondContact O-N 3.3Å; A46-F49 CarbonylContact O-C 3.42Å; A46-F49 VanDerWaalsContact O-C 3.25Å; A46-F49 PolarHBondContact O-N 2.98Å; F49-L51 PolarHBondContact O-N 2.93Å; F49-A52 HydrophobicContact CB-CB 3.93Å; F49-A52 WeakPolarHBondContact O-CB 3.49Å; F49-A52 PolarHBondContact O-N 3.41Å; F49-W54 HydrophobicContact CD2-CZ3 4.16Å; F49-N78 PolarHBondContact O-ND2 3.29Å |
| 50 | P | 96.7 | Very high | 96.7 | Very high | 76 Ų | 76 | 30.7 Ų | 30.7 | 49% | 0.494 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.8 | -170.1 | 27.8 | -36.5 | 0 | 0 | 0 | 114.3 | A48 | A48-P50 VanDerWaalsContact C-CD 3.46Å; A48-P50 WeakPolarHBondContact O-CD 3.12Å |
| 51 | L | 96.8 | Very high | 96.7 | Very high | 65 Ų | 65 | 34.4 Ų | 34.4 | 34% | 0.34 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -5.1 | 179.3 | -61.2 | -179.6 | 0 | 0 | 0 | 113.6 | A25 Q26 R27 G28 F49 | A25-L51 WeakPolarHBondContact O-CD1 3.48Å; Q26-L51 WeakPolarHBondContact O-CB 3.5Å; R27-L51 HydrophobicContact CG-CB 4.07Å; R27-L51 HydrophobicContact CG-CD1 3.87Å; R27-L51 HydrophobicContact CG-CD2 4.34Å; R27-L51 HydrophobicContact CG-CG 4.32Å; G28-L51 PolarHBondContact N-O 3.2Å; F49-L51 PolarHBondContact O-N 2.93Å |
| 52 | A | 97.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 5% | 0.05 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -85.7 | 147.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V29 F49 N78 | V29-A52 HydrophobicContact CB-CB 4.05Å; V29-A52 HydrophobicContact CG1-CB 4.41Å; V29-A52 CarbonylContact O-C 2.94Å; V29-A52 WeakPolarHBondContact O-CA 3.33Å; F49-A52 HydrophobicContact CB-CB 3.93Å; F49-A52 WeakPolarHBondContact O-CB 3.49Å; F49-A52 PolarHBondContact O-N 3.41Å; A52-N78 WeakPolarHBondContact O-CB 3.38Å; A52-N78 PolarHBondContact O-ND2 2.93Å; A52-N78 VanDerWaalsContact O-ND2 3.1Å |
| 53 | E | 97.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 43 Ų | 43 | 34% | 0.341 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.4 | 171.9 | -174.7 | -174.3 | 93.4 | 0 | 0 | 109.3 | V29 R30 V31 K80 | V29-E53 PolarHBondContact O-N 2.98Å; R30-E53 HydrophobicContact CG-CB 4.38Å; V31-E53 PolarHBondContact N-O 3.48Å; E53-K80 HydrophobicContact CG-CD 4.01Å; E53-K80 HydrophobicContact CG-CG 4.23Å; E53-K80 VanDerWaalsContact OE1-CE 3.25Å; E53-K80 WeakPolarHBondContact OE1-CE 3.46Å; E53-K80 IonicContact OE1-NZ 3.95Å; E53-K80 PolarHBondContact OE1-NZ 3.04Å; E53-K80 WeakPolarHBondContact OE2-CE 3.38Å; E53-K80 IonicContact OE2-NZ 3.16Å; E53-K80 PolarHBondContact OE2-NZ 3.18Å |
| 54 | W | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.2 | -176.7 | -149 | -81.7 | 0 | 0 | 0 | 110.9 | L18 V31 E33 F45 A46 F49 P56 N78 V79 K80 L106 | L18-W54 HydrophobicContact CD1-CH2 4.29Å; V31-W54 HydrophobicContact CB-CD2 4.08Å; V31-W54 HydrophobicContact CB-CE3 3.94Å; V31-W54 HydrophobicContact CB-CH2 4.5Å; V31-W54 HydrophobicContact CB-CZ3 4.16Å; V31-W54 HydrophobicContact CG1-CD2 4.12Å; V31-W54 HydrophobicContact CG1-CE3 4.14Å; V31-W54 HydrophobicContact CG1-CH2 3.85Å; V31-W54 HydrophobicContact CG1-CZ2 3.83Å; V31-W54 HydrophobicContact CG1-CZ3 4.01Å; V31-W54 HydrophobicContact CG2-CE3 3.94Å; V31-W54 HydrophobicContact CG2-CZ3 3.91Å; E33-W54 PolarHBondContact OE2-NE1 2.95Å; F45-W54 HydrophobicContact CB-CE3 4.39Å; F45-W54 HydrophobicContact CB-CH2 3.27Å; F45-W54 HydrophobicContact CB-CZ2 3.61Å; F45-W54 HydrophobicContact CB-CZ3 3.71Å; F45-W54 AromaticContact CD2-CH2 3.87Å; F45-W54 HydrophobicContact CD2-CH2 3.87Å; F45-W54 AromaticContact CD2-CZ2 3.6Å; F45-W54 HydrophobicContact CD2-CZ2 3.6Å; F45-W54 AromaticContact CG-CH2 3.94Å; F45-W54 HydrophobicContact CG-CH2 3.94Å; F45-W54 HydrophobicContact CG-CZ2 4.07Å; A46-W54 HydrophobicContact CB-CB 4.22Å; A46-W54 HydrophobicContact CB-CG 4.36Å; F49-W54 HydrophobicContact CD2-CZ3 4.16Å; W54-P56 VanDerWaalsContact O-CD 3.3Å; W54-P56 WeakPolarHBondContact O-CD 3.47Å; W54-N78 PolarHBondContact N-O 3.29Å; W54-V79 HydrophobicContact CB-CG2 4.21Å; W54-V79 CarbonylContact O-C 3.56Å; W54-V79 WeakPolarHBondContact O-CA 3.44Å; W54-K80 PolarHBondContact O-N 3.13Å; W54-L106 HydrophobicContact CH2-CD2 4.13Å; W54-L106 HydrophobicContact CZ2-CD2 3.62Å |
| 55 | Q | 98.2 | Very high | 96.6 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 97.8 | 175.4 | -178.6 | 58.9 | 78.4 | 0 | 0 | 109.5 | V31 L32 E33 K80 A81 L83 I97 | V31-Q55 WeakPolarHBondContact O-CB 3.32Å; V31-Q55 PolarHBondContact O-N 3.23Å; L32-Q55 WeakPolarHBondContact CA-O 3.31Å; L32-Q55 HydrophobicContact CD1-CB 4.33Å; L32-Q55 HydrophobicContact CD1-CG 3.96Å; L32-Q55 WeakPolarHBondContact CD1-O 3.48Å; E33-Q55 PolarHBondContact N-O 3.04Å; Q55-K80 VanDerWaalsContact OE1-CD 3.24Å; Q55-A81 PolarHBondContact NE2-O 3.11Å; Q55-L83 VanDerWaalsContact CD-CD1 3.46Å; Q55-L83 HydrophobicContact CG-CD1 3.66Å; Q55-L83 HydrophobicContact CG-CG 4.29Å; Q55-I97 HydrophobicContact CG-CD1 4.22Å |
| 56 | P | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 152.6 | 172.4 | 30 | -31.2 | 0 | 0 | 0 | 111 | S36 A42 W54 I67 V79 P82 L83 | S36-P56 WeakPolarHBondContact OG-CA 3.37Å; S36-P56 VanDerWaalsContact OG-CB 3.26Å; S36-P56 WeakPolarHBondContact OG-CB 3.4Å; A42-P56 HydrophobicContact CB-CB 4.21Å; W54-P56 VanDerWaalsContact O-CD 3.3Å; W54-P56 WeakPolarHBondContact O-CD 3.47Å; P56-I67 HydrophobicContact CB-CD1 4.43Å; P56-I67 HydrophobicContact CB-CG2 3.76Å; P56-I67 HydrophobicContact CG-CG2 3.52Å; P56-V79 HydrophobicContact CG-CG1 3.87Å; P56-P82 HydrophobicContact CG-CB 4.1Å; P56-P82 WeakPolarHBondContact O-CA 3.49Å; P56-L83 PolarHBondContact O-N 2.92Å |
| 57 | S | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 153 | 174.1 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | E33 A35 S36 L83 | E33-S57 PolarHBondContact O-N 2.81Å; E33-S57 PolarHBondContact O-OG 3.13Å; A35-S57 CarbonylContact C-O 3.16Å; A35-S57 VanDerWaalsContact CA-O 3.29Å; A35-S57 WeakPolarHBondContact CA-O 3.49Å; A35-S57 PolarHBondContact N-O 2.89Å; S36-S57 PolarHBondContact N-O 2.97Å; S36-S57 PolarHBondContact OG-N 3.3Å; S36-S57 PolarHBondContact OG-O 2.88Å; S57-L83 CarbonylContact C-O 3.59Å; S57-L83 WeakPolarHBondContact CA-O 3.37Å; S57-L83 VanDerWaalsContact CB-O 3.26Å; S57-L83 WeakPolarHBondContact CB-O 3.43Å |
| 58 | D | 95.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 164.8 | 173.9 | -148.6 | -70.8 | 0 | 0 | 0 | 110.3 | G37 D60 C63 L64 I67 L83 H84 L85 | G37-D58 WeakPolarHBondContact CA-OD2 3.39Å; G37-D58 PolarHBondContact N-OD2 3.49Å; D58-D60 PolarHBondContact OD1-N 2.99Å; D58-C63 HydrophobicContact CB-CB 3.71Å; D58-L64 HydrophobicContact CB-CD2 3.82Å; D58-L64 HydrophobicContact CB-CG 4.43Å; D58-I67 HydrophobicContact CB-CD1 4.48Å; D58-L83 PolarHBondContact N-O 3.36Å; D58-H84 VanDerWaalsContact O-CA 3.3Å; D58-H84 WeakPolarHBondContact O-CA 3.44Å; D58-L85 PolarHBondContact O-N 2.71Å |
| 59 | V | 92.8 | Very high | 96.6 | Very high | 78 Ų | 78 | 41.2 Ų | 41.2 | 47% | 0.473 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -93.6 | -25.5 | 173.2 | 72.2 | 0 | 0 | 0 | 0 | 111.2 | H84 D86 | V59-H84 PolarHBondContact O-CE1 3.39Å; V59-H84 PolarHBondContact O-ND1 3.22Å; V59-D86 HydrophobicContact CG2-CB 4.2Å |
| 60 | D | 91.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -86.9 | 121.6 | -179.3 | -171.7 | -23.8 | 0 | 0 | 0 | 111 | D58 R62 C63 L64 | D58-D60 PolarHBondContact OD1-N 2.99Å; D60-R62 PolarHBondContact O-N 2.94Å; D60-R62 VanDerWaalsContact O-N 3.14Å; D60-R62 WeakPolarHBondContact OD1-CB 3.42Å; D60-R62 WeakPolarHBondContact OD1-CG 3.5Å; D60-R62 PolarHBondContact OD1-N 2.89Å; D60-R62 IonicContact OD1-NE 3.18Å; D60-R62 PolarHBondContact OD1-NE 3.33Å; D60-R62 IonicContact OD2-CZ 3.28Å; D60-R62 VanDerWaalsContact OD2-CZ 3.28Å; D60-R62 IonicContact OD2-NE 3.09Å; D60-R62 PolarHBondContact OD2-NE 3.29Å; D60-R62 VanDerWaalsContact OD2-NE 3.09Å; D60-R62 IonicContact OD2-NH2 2.67Å; D60-R62 PolarHBondContact OD2-NH2 2.83Å; D60-C63 HydrophobicContact CB-CB 4.25Å; D60-C63 WeakPolarHBondContact O-CA 3.48Å; D60-C63 VanDerWaalsContact O-CB 3.31Å; D60-C63 WeakPolarHBondContact O-CB 3.2Å; D60-C63 PolarHBondContact O-N 3.37Å; D60-L64 PolarHBondContact O-N 2.89Å; D60-L64 VanDerWaalsContact O-N 3.12Å |
| 61 | Q | 94.7 | Very high | 96.5 | Very high | 109 Ų | 109 | 38.7 Ų | 38.7 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -54.3 | -34.9 | 177.4 | -172.8 | 59.8 | 53 | 0 | 0 | 112.8 | C63 L64 D65 | Q61-C63 VanDerWaalsContact C-N 3.29Å; Q61-C63 PolarHBondContact O-N 2.99Å; Q61-L64 WeakPolarHBondContact O-CB 3.14Å; Q61-L64 PolarHBondContact O-N 2.78Å; Q61-D65 PolarHBondContact NE2-OD1 2.81Å; Q61-D65 PolarHBondContact O-N 3.4Å |
| 62 | R | 94.6 | Very high | 96.5 | Very high | 172 Ų | 172 | 43.3 Ų | 43.3 | 65% | 0.649 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.5 | -33.5 | 178.8 | -59.2 | 173.9 | -64.5 | 169.3 | 0.9 | 112 | D60 S66 | D60-R62 PolarHBondContact O-N 2.94Å; D60-R62 VanDerWaalsContact O-N 3.14Å; D60-R62 WeakPolarHBondContact OD1-CB 3.42Å; D60-R62 WeakPolarHBondContact OD1-CG 3.5Å; D60-R62 PolarHBondContact OD1-N 2.89Å; D60-R62 IonicContact OD1-NE 3.18Å; D60-R62 PolarHBondContact OD1-NE 3.33Å; D60-R62 IonicContact OD2-CZ 3.28Å; D60-R62 VanDerWaalsContact OD2-CZ 3.28Å; D60-R62 IonicContact OD2-NE 3.09Å; D60-R62 PolarHBondContact OD2-NE 3.29Å; D60-R62 VanDerWaalsContact OD2-NE 3.09Å; D60-R62 IonicContact OD2-NH2 2.67Å; D60-R62 PolarHBondContact OD2-NH2 2.83Å; R62-S66 WeakPolarHBondContact O-CB 3.41Å; R62-S66 PolarHBondContact O-N 3.45Å |
| 63 | C | 95.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 12% | 0.122 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.5 | -47.3 | 173.4 | -68.2 | 0 | 0 | 0 | 0 | 109.9 | G37 D58 D60 Q61 D65 S66 I67 | G37-C63 WeakPolarHBondContact O-CA 3.48Å; G37-C63 WeakPolarHBondContact O-CB 3.4Å; D58-C63 HydrophobicContact CB-CB 3.71Å; D60-C63 HydrophobicContact CB-CB 4.25Å; D60-C63 WeakPolarHBondContact O-CA 3.48Å; D60-C63 VanDerWaalsContact O-CB 3.31Å; D60-C63 WeakPolarHBondContact O-CB 3.2Å; D60-C63 PolarHBondContact O-N 3.37Å; Q61-C63 VanDerWaalsContact C-N 3.29Å; Q61-C63 PolarHBondContact O-N 2.99Å; C63-D65 VanDerWaalsContact C-N 3.34Å; C63-D65 PolarHBondContact O-N 3.34Å; C63-S66 WeakPolarHBondContact O-CA 3.07Å; C63-S66 WeakPolarHBondContact O-CB 3.3Å; C63-S66 PolarHBondContact O-N 2.86Å; C63-I67 WeakPolarHBondContact O-CD1 3.46Å; C63-I67 WeakPolarHBondContact O-CG1 3.38Å; C63-I67 PolarHBondContact O-N 2.82Å |
| 64 | L | 97.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.6 | -48.8 | 175.4 | -56.5 | 178.9 | 0 | 0 | 0 | 111.6 | D58 D60 Q61 S66 I67 A68 P82 L83 H84 | D58-L64 HydrophobicContact CB-CD2 3.82Å; D58-L64 HydrophobicContact CB-CG 4.43Å; D60-L64 PolarHBondContact O-N 2.89Å; D60-L64 VanDerWaalsContact O-N 3.12Å; Q61-L64 WeakPolarHBondContact O-CB 3.14Å; Q61-L64 PolarHBondContact O-N 2.78Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 2.75Å; L64-I67 PolarHBondContact O-N 3.07Å; L64-A68 PolarHBondContact O-N 3.45Å; L64-P82 HydrophobicContact CB-CB 4.49Å; L64-P82 HydrophobicContact CB-CG 4.24Å; L64-P82 HydrophobicContact CD2-CB 3.83Å; L64-P82 HydrophobicContact CD2-CG 4.45Å; L64-P82 WeakPolarHBondContact O-CG 3.48Å; L64-L83 VanDerWaalsContact CD2-O 3.29Å; L64-L83 WeakPolarHBondContact CD2-O 3.08Å; L64-H84 HydrophobicContact CD1-CB 3.93Å |
| 65 | D | 97.8 | Very high | 96.2 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 49% | 0.492 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 177.4 | -62.8 | -16.9 | 0 | 0 | 0 | 111.6 | Q61 C63 A69 | Q61-D65 PolarHBondContact NE2-OD1 2.81Å; Q61-D65 PolarHBondContact O-N 3.4Å; C63-D65 VanDerWaalsContact C-N 3.34Å; C63-D65 PolarHBondContact O-N 3.34Å; D65-A69 VanDerWaalsContact O-CB 3.31Å; D65-A69 WeakPolarHBondContact O-CB 3.2Å; D65-A69 PolarHBondContact O-N 3.25Å |
| 66 | S | 97.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.6 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | L2 S38 R62 C63 L64 A69 T70 | L2-S66 WeakPolarHBondContact CB-OG 3.43Å; L2-S66 PolarHBondContact N-OG 3.13Å; S38-S66 PolarHBondContact O-OG 3.12Å; R62-S66 WeakPolarHBondContact O-CB 3.41Å; R62-S66 PolarHBondContact O-N 3.45Å; C63-S66 WeakPolarHBondContact O-CA 3.07Å; C63-S66 WeakPolarHBondContact O-CB 3.3Å; C63-S66 PolarHBondContact O-N 2.86Å; L64-S66 VanDerWaalsContact C-N 3.3Å; L64-S66 PolarHBondContact O-N 2.75Å; S66-A69 PolarHBondContact O-N 2.82Å; S66-T70 WeakPolarHBondContact O-CB 3.38Å; S66-T70 PolarHBondContact O-N 3.05Å; S66-T70 PolarHBondContact O-OG1 3.01Å |
| 67 | I | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 178.9 | -65.4 | 153.5 | 0 | 0 | 0 | 109.9 | P56 D58 C63 L64 A69 T70 T71 P82 | P56-I67 HydrophobicContact CB-CD1 4.43Å; P56-I67 HydrophobicContact CB-CG2 3.76Å; P56-I67 HydrophobicContact CG-CG2 3.52Å; D58-I67 HydrophobicContact CB-CD1 4.48Å; C63-I67 WeakPolarHBondContact O-CD1 3.46Å; C63-I67 WeakPolarHBondContact O-CG1 3.38Å; C63-I67 PolarHBondContact O-N 2.82Å; L64-I67 PolarHBondContact O-N 3.07Å; I67-A69 PolarHBondContact O-N 3.32Å; I67-T70 PolarHBondContact O-N 3.17Å; I67-T71 VanDerWaalsContact O-CB 3.3Å; I67-T71 WeakPolarHBondContact O-CB 3.3Å; I67-T71 PolarHBondContact O-N 3.44Å; I67-T71 PolarHBondContact O-OG1 2.6Å; I67-P82 HydrophobicContact CB-CB 4.09Å; I67-P82 HydrophobicContact CB-CG 4.2Å; I67-P82 HydrophobicContact CD1-CB 4.15Å; I67-P82 HydrophobicContact CG2-CB 3.87Å; I67-P82 HydrophobicContact CG2-CG 4.17Å |
| 68 | A | 97.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.4 | -48 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L64 T70 T71 Q72 P82 | L64-A68 PolarHBondContact O-N 3.45Å; A68-T70 PolarHBondContact O-N 2.98Å; A68-T71 PolarHBondContact O-N 3.03Å; A68-Q72 WeakPolarHBondContact O-CB 3.33Å; A68-Q72 PolarHBondContact O-N 2.81Å; A68-P82 HydrophobicContact CB-CG 4.24Å |
| 69 | A | 97.2 | Very high | 96.3 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 D65 S66 I67 A73 | M1-A69 HydrophobicContact CG-CB 3.65Å; D65-A69 VanDerWaalsContact O-CB 3.31Å; D65-A69 WeakPolarHBondContact O-CB 3.2Å; D65-A69 PolarHBondContact O-N 3.25Å; S66-A69 PolarHBondContact O-N 2.82Å; I67-A69 PolarHBondContact O-N 3.32Å; A69-A73 WeakPolarHBondContact O-CB 3.2Å; A69-A73 PolarHBondContact O-N 3.47Å |
| 70 | T | 95.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 178.5 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | M1 A43 S66 I67 A68 A73 Q74 | M1-T70 VanDerWaalsContact SD-CA 3.57Å; A43-T70 HydrophobicContact CB-CG2 3.8Å; S66-T70 WeakPolarHBondContact O-CB 3.38Å; S66-T70 PolarHBondContact O-N 3.05Å; S66-T70 PolarHBondContact O-OG1 3.01Å; I67-T70 PolarHBondContact O-N 3.17Å; A68-T70 PolarHBondContact O-N 2.98Å; T70-A73 PolarHBondContact O-N 3.21Å; T70-Q74 WeakPolarHBondContact O-CB 3.35Å; T70-Q74 WeakPolarHBondContact O-CG 3.46Å; T70-Q74 PolarHBondContact O-N 3.39Å; T70-Q74 VanDerWaalsContact O-N 3.09Å |
| 71 | T | 96.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 10% | 0.104 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 177.4 | -62 | 0 | 0 | 0 | 0 | 110.9 | I67 A68 Q74 G75 L76 V79 | I67-T71 VanDerWaalsContact O-CB 3.3Å; I67-T71 WeakPolarHBondContact O-CB 3.3Å; I67-T71 PolarHBondContact O-N 3.44Å; I67-T71 PolarHBondContact O-OG1 2.6Å; A68-T71 PolarHBondContact O-N 3.03Å; T71-Q74 PolarHBondContact O-N 3.09Å; T71-G75 PolarHBondContact O-N 3.16Å; T71-L76 HydrophobicContact CG2-CB 4.21Å; T71-L76 PolarHBondContact O-N 3.06Å; T71-L76 VanDerWaalsContact O-N 3.16Å; T71-V79 HydrophobicContact CG2-CB 3.75Å; T71-V79 HydrophobicContact CG2-CG1 3.95Å |
| 72 | Q | 96.6 | Very high | 96.9 | Very high | 162 Ų | 162 | 55.6 Ų | 55.6 | 76% | 0.757 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.5 | -47.2 | 178 | -174.9 | -178.8 | 4.6 | 0 | 0 | 111.7 | A68 Q74 G75 | A68-Q72 WeakPolarHBondContact O-CB 3.33Å; A68-Q72 PolarHBondContact O-N 2.81Å; Q72-Q74 PolarHBondContact O-N 3.26Å; Q72-G75 PolarHBondContact O-N 3.09Å; Q72-G75 VanDerWaalsContact O-N 3.09Å |
| 73 | A | 95.9 | Very high | 97 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.6 | -29.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1 A69 T70 | M1-A73 HydrophobicContact CE-CB 3.68Å; M1-A73 HydrophobicContact SD-CB 4.17Å; A69-A73 WeakPolarHBondContact O-CB 3.2Å; A69-A73 PolarHBondContact O-N 3.47Å; T70-A73 PolarHBondContact O-N 3.21Å |
| 74 | Q | 95.2 | Very high | 97.1 | Very high | 82 Ų | 82 | 52.4 Ų | 52.4 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -94.6 | -2.1 | 177.2 | -66.7 | -166.7 | 57.5 | 0 | 0 | 113.9 | R47 T70 T71 Q72 L76 | R47-Q74 VanDerWaalsContact NH1-OE1 3.16Å; T70-Q74 WeakPolarHBondContact O-CB 3.35Å; T70-Q74 WeakPolarHBondContact O-CG 3.46Å; T70-Q74 PolarHBondContact O-N 3.39Å; T70-Q74 VanDerWaalsContact O-N 3.09Å; T71-Q74 PolarHBondContact O-N 3.09Å; Q72-Q74 PolarHBondContact O-N 3.26Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; Q74-L76 HydrophobicContact CB-CD1 4.21Å; Q74-L76 HydrophobicContact CB-CD2 4.14Å; Q74-L76 HydrophobicContact CB-CG 3.84Å; Q74-L76 PolarHBondContact O-N 3.4Å |
| 75 | G | 96.7 | Very high | 96.9 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 32.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T71 Q72 T77 | T71-G75 PolarHBondContact O-N 3.16Å; Q72-G75 PolarHBondContact O-N 3.09Å; Q72-G75 VanDerWaalsContact O-N 3.09Å; G75-T77 PolarHBondContact O-N 2.79Å |
| 76 | L | 97.3 | Very high | 96.6 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 13% | 0.126 | 30% | 0.302 | C | S | . | . | trans | -79.3 | 119.3 | -176.4 | -52.6 | 176.9 | 0 | 0 | 0 | 110.2 | A43 R47 T71 Q74 V79 | A43-L76 VanDerWaalsContact CA-CD1 3.49Å; A43-L76 HydrophobicContact CB-CD1 3.65Å; R47-L76 HydrophobicContact CG-CD2 3.38Å; T71-L76 HydrophobicContact CG2-CB 4.21Å; T71-L76 PolarHBondContact O-N 3.06Å; T71-L76 VanDerWaalsContact O-N 3.16Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; Q74-L76 HydrophobicContact CB-CD1 4.21Å; Q74-L76 HydrophobicContact CB-CD2 4.14Å; Q74-L76 HydrophobicContact CB-CG 3.84Å; Q74-L76 PolarHBondContact O-N 3.4Å; L76-V79 HydrophobicContact CB-CB 4.33Å; L76-V79 HydrophobicContact CB-CG2 3.84Å; L76-V79 HydrophobicContact CD1-CG2 3.88Å | ||
| 77 | T | 96.8 | Very high | 96.1 | Very high | 142 Ų | 142 | 50.9 Ų | 50.9 | 87% | 0.871 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -93.2 | -15.3 | -177.8 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | G75 | G75-T77 PolarHBondContact O-N 2.79Š|
| 78 | N | 97.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 53 Ų | 53 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -99.9 | 7.1 | -178.5 | 73.1 | -45.5 | 0 | 0 | 0 | 113.2 | A46 F49 A52 W54 | A46-N78 PolarHBondContact O-ND2 2.92Å; F49-N78 PolarHBondContact O-ND2 3.29Å; A52-N78 WeakPolarHBondContact O-CB 3.38Å; A52-N78 PolarHBondContact O-ND2 2.93Å; A52-N78 VanDerWaalsContact O-ND2 3.1Å; W54-N78 PolarHBondContact N-O 3.29Å |
| 79 | V | 98.1 | Very high | 94.9 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -105.1 | 121.6 | 172.3 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | A46 W54 P56 T71 L76 | A46-V79 HydrophobicContact CB-CG2 3.27Å; W54-V79 HydrophobicContact CB-CG2 4.21Å; W54-V79 CarbonylContact O-C 3.56Å; W54-V79 WeakPolarHBondContact O-CA 3.44Å; P56-V79 HydrophobicContact CG-CG1 3.87Å; T71-V79 HydrophobicContact CG2-CB 3.75Å; T71-V79 HydrophobicContact CG2-CG1 3.95Å; L76-V79 HydrophobicContact CB-CB 4.33Å; L76-V79 HydrophobicContact CB-CG2 3.84Å; L76-V79 HydrophobicContact CD1-CG2 3.88Å |
| 80 | K | 97.8 | Very high | 94.4 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 162.9 | 176.5 | -73.2 | -175.2 | 160.5 | 171.6 | 0 | 111.6 | E53 W54 Q55 | E53-K80 HydrophobicContact CG-CD 4.01Å; E53-K80 HydrophobicContact CG-CG 4.23Å; E53-K80 VanDerWaalsContact OE1-CE 3.25Å; E53-K80 WeakPolarHBondContact OE1-CE 3.46Å; E53-K80 IonicContact OE1-NZ 3.95Å; E53-K80 PolarHBondContact OE1-NZ 3.04Å; E53-K80 WeakPolarHBondContact OE2-CE 3.38Å; E53-K80 IonicContact OE2-NZ 3.16Å; E53-K80 PolarHBondContact OE2-NZ 3.18Å; W54-K80 PolarHBondContact O-N 3.13Å; Q55-K80 VanDerWaalsContact OE1-CD 3.24Å |
| 81 | A | 97.3 | Very high | 94.1 | Very high | 81 Ų | 81 | 61.8 Ų | 61.8 | 67% | 0.669 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 135.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q55 | Q55-A81 PolarHBondContact NE2-O 3.11Š|
| 82 | P | 97.8 | Very high | 93.9 | Very high | 28 Ų | 28 | 66.5 Ų | 66.5 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 137.9 | -175.1 | 28.1 | -34.4 | 0 | 0 | 0 | 111.1 | P56 L64 I67 A68 | P56-P82 HydrophobicContact CG-CB 4.1Å; P56-P82 WeakPolarHBondContact O-CA 3.49Å; L64-P82 HydrophobicContact CB-CB 4.49Å; L64-P82 HydrophobicContact CB-CG 4.24Å; L64-P82 HydrophobicContact CD2-CB 3.83Å; L64-P82 HydrophobicContact CD2-CG 4.45Å; L64-P82 WeakPolarHBondContact O-CG 3.48Å; I67-P82 HydrophobicContact CB-CB 4.09Å; I67-P82 HydrophobicContact CB-CG 4.2Å; I67-P82 HydrophobicContact CD1-CB 4.15Å; I67-P82 HydrophobicContact CG2-CB 3.87Å; I67-P82 HydrophobicContact CG2-CG 4.17Å; A68-P82 HydrophobicContact CB-CG 4.24Å |
| 83 | L | 97.1 | Very high | 93.7 | Very high | 38 Ų | 38 | 64.5 Ų | 64.5 | 20% | 0.199 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 137.1 | 178.8 | -70.1 | 173.3 | 0 | 0 | 0 | 110.8 | Q55 P56 S57 D58 L64 L85 I97 | Q55-L83 VanDerWaalsContact CD-CD1 3.46Å; Q55-L83 HydrophobicContact CG-CD1 3.66Å; Q55-L83 HydrophobicContact CG-CG 4.29Å; P56-L83 PolarHBondContact O-N 2.92Å; S57-L83 CarbonylContact C-O 3.59Å; S57-L83 WeakPolarHBondContact CA-O 3.37Å; S57-L83 VanDerWaalsContact CB-O 3.26Å; S57-L83 WeakPolarHBondContact CB-O 3.43Å; D58-L83 PolarHBondContact N-O 3.36Å; L64-L83 VanDerWaalsContact CD2-O 3.29Å; L64-L83 WeakPolarHBondContact CD2-O 3.08Å; L83-L85 PolarHBondContact O-N 3Å; L83-I97 HydrophobicContact CD1-CD1 3.98Å; L83-I97 HydrophobicContact CD1-CG1 4.33Å |
| 84 | H | 96.6 | Very high | 93.5 | Very high | 85 Ų | 85 | 63.4 Ų | 63.4 | 39% | 0.394 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 113.8 | 160.4 | -173.2 | 99.3 | 0 | 0 | 0 | 108.1 | D58 V59 L64 W89 | D58-H84 VanDerWaalsContact O-CA 3.3Å; D58-H84 WeakPolarHBondContact O-CA 3.44Å; V59-H84 PolarHBondContact O-CE1 3.39Å; V59-H84 PolarHBondContact O-ND1 3.22Å; L64-H84 HydrophobicContact CD1-CB 3.93Å; H84-W89 AromaticContact NE2-CH2 3.96Å |
| 85 | L | 94.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | trans | -138.6 | 112.5 | -176.5 | -168.9 | 158.3 | 0 | 0 | 0 | 109.7 | L32 D58 L83 V87 W94 | L32-L85 HydrophobicContact CD1-CD1 4.25Å; L32-L85 HydrophobicContact CD2-CD1 4.15Å; D58-L85 PolarHBondContact O-N 2.71Å; L83-L85 PolarHBondContact O-N 3Å; L85-V87 HydrophobicContact CD2-CB 4.4Å; L85-V87 HydrophobicContact CD2-CG1 3.51Å; L85-W94 HydrophobicContact CD1-CB 3.89Å; L85-W94 HydrophobicContact CD1-CD2 3.84Å; L85-W94 HydrophobicContact CD1-CE3 3.93Å; L85-W94 HydrophobicContact CD1-CG 3.85Å; L85-W94 HydrophobicContact CD2-CD2 4.1Å; L85-W94 HydrophobicContact CD2-CG 4.41Å; L85-W94 HydrophobicContact CD2-CZ2 4.39Å; L85-W94 HydrophobicContact CG-CB 4.31Å; L85-W94 HydrophobicContact CG-CD2 4.08Å; L85-W94 HydrophobicContact CG-CG 3.94Å | ||
| 86 | D | 89.9 | Confident | 93 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 17% | 0.166 | 36% | 0.355 | C | S | . | . | trans | -98.8 | 110.2 | 167.3 | -173.3 | -23.3 | 0 | 0 | 0 | 108.2 | V59 T88 W89 | V59-D86 HydrophobicContact CG2-CB 4.2Å; D86-T88 VanDerWaalsContact CG-OG1 3.22Å; D86-T88 PolarHBondContact O-N 3.42Å; D86-T88 WeakPolarHBondContact OD1-CB 3.31Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.46Å; D86-T88 PolarHBondContact OD1-N 3.2Å; D86-T88 PolarHBondContact OD1-OG1 3.31Å; D86-T88 PolarHBondContact OD2-OG1 3.03Å; D86-W89 HydrophobicContact CB-CD2 3.79Å; D86-W89 HydrophobicContact CB-CE3 4.04Å; D86-W89 HydrophobicContact CB-CG 4.21Å; D86-W89 HydrophobicContact CB-CH2 4.4Å; D86-W89 HydrophobicContact CB-CZ2 4.15Å; D86-W89 HydrophobicContact CB-CZ3 4.34Å; D86-W89 PolarHBondContact O-N 3.1Å | ||
| 87 | V | 86.9 | Confident | 92.8 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -7.7 | -178.8 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | V34 L85 W89 W94 M110 C118 | V34-V87 HydrophobicContact CG1-CG1 3.46Å; V34-V87 VanDerWaalsContact CG1-CG1 3.46Å; L85-V87 HydrophobicContact CD2-CB 4.4Å; L85-V87 HydrophobicContact CD2-CG1 3.51Å; V87-W89 VanDerWaalsContact C-N 3.32Å; V87-W94 HydrophobicContact CB-CZ2 4.2Å; V87-W94 HydrophobicContact CG1-CH2 4.47Å; V87-W94 HydrophobicContact CG1-CZ2 4.25Å; V87-M110 HydrophobicContact CG2-CE 4.37Å; V87-C118 HydrophobicContact CG2-CB 3.69Å; V87-C118 WeakPolarHBondContact CG2-SG 3.35Å |
| 88 | T | 83.4 | Confident | 92.5 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -8.6 | -178.5 | 79.7 | 0 | 0 | 0 | 0 | 112.6 | D86 R117 C118 | D86-T88 VanDerWaalsContact CG-OG1 3.22Å; D86-T88 PolarHBondContact O-N 3.42Å; D86-T88 WeakPolarHBondContact OD1-CB 3.31Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.46Å; D86-T88 PolarHBondContact OD1-N 3.2Å; D86-T88 PolarHBondContact OD1-OG1 3.31Å; D86-T88 PolarHBondContact OD2-OG1 3.03Å; T88-R117 HydrophobicContact CG2-CG 3.67Å; T88-R117 PolarHBondContact OG1-NH2 2.74Å; T88-C118 WeakPolarHBondContact CG2-SG 3.26Å |
| 89 | W | 88.3 | Confident | 92.1 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -89.6 | 156.1 | 166.6 | -56.6 | -14 | 0 | 0 | 0 | 110.4 | H84 D86 V87 H93 W94 | H84-W89 AromaticContact NE2-CH2 3.96Å; D86-W89 HydrophobicContact CB-CD2 3.79Å; D86-W89 HydrophobicContact CB-CE3 4.04Å; D86-W89 HydrophobicContact CB-CG 4.21Å; D86-W89 HydrophobicContact CB-CH2 4.4Å; D86-W89 HydrophobicContact CB-CZ2 4.15Å; D86-W89 HydrophobicContact CB-CZ3 4.34Å; D86-W89 PolarHBondContact O-N 3.1Å; V87-W89 VanDerWaalsContact C-N 3.32Å; W89-H93 HydrophobicContact CB-CB 4.01Å; W89-H93 HydrophobicContact CE3-CB 3.87Å; W89-W94 PolarHBondContact O-NE1 2.98Å; W89-W94 VanDerWaalsContact O-NE1 3.12Å |
| 90 | G | 86.2 | Confident | 91.6 | Very high | 37 Ų | 37 | 70 Ų | 70 | 38% | 0.381 | 39% | 0.388 | S | S | . | . | trans | -58 | 153.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | E92 H93 W94 | G90-E92 VanDerWaalsContact CA-OE2 3.25Å; G90-E92 WeakPolarHBondContact CA-OE2 3.34Å; G90-E92 PolarHBondContact O-N 3.07Å; G90-H93 PolarHBondContact O-N 3.11Å; G90-W94 VanDerWaalsContact O-CD1 3.29Å; G90-W94 PolarHBondContact O-NE1 3.08Å | ||
| 91 | W | 88.9 | Confident | 91.4 | Very high | 116 Ų | 116 | 66.8 Ų | 66.8 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -57 | -23.1 | -178.3 | 65.8 | -90.1 | 0 | 0 | 0 | 112.6 | H93 W94 L98 P99 | W91-H93 PolarHBondContact O-N 2.77Å; W91-H93 VanDerWaalsContact O-N 3.1Å; W91-W94 WeakPolarHBondContact O-CB 3.35Å; W91-W94 PolarHBondContact O-N 2.94Å; W91-L98 HydrophobicContact CZ3-CD2 3.95Å; W91-P99 HydrophobicContact CD2-CG 3.53Å; W91-P99 VanDerWaalsContact CE3-CD 3.43Å; W91-P99 HydrophobicContact CE3-CG 3.84Å; W91-P99 HydrophobicContact CG-CG 3.95Å; W91-P99 HydrophobicContact CH2-CG 4.29Å; W91-P99 HydrophobicContact CZ2-CG 4.05Å; W91-P99 HydrophobicContact CZ3-CG 4.2Å |
| 92 | E | 93.3 | Very high | 91.2 | Very high | 117 Ų | 117 | 65.4 Ų | 65.4 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -57.4 | -24.1 | 175.6 | -58.6 | 84.6 | 172.1 | 0 | 0 | 112.3 | G90 | G90-E92 VanDerWaalsContact CA-OE2 3.25Å; G90-E92 WeakPolarHBondContact CA-OE2 3.34Å; G90-E92 PolarHBondContact O-N 3.07Å |
| 93 | H | 91.9 | Very high | 91 | Very high | 120 Ų | 120 | 68.7 Ų | 68.7 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -96.2 | 0.6 | 179.1 | -61 | -78.3 | 0 | 0 | 0 | 113.7 | W89 G90 W91 G95 | W89-H93 HydrophobicContact CB-CB 4.01Å; W89-H93 HydrophobicContact CE3-CB 3.87Å; G90-H93 PolarHBondContact O-N 3.11Å; W91-H93 PolarHBondContact O-N 2.77Å; W91-H93 VanDerWaalsContact O-N 3.1Å; H93-G95 PolarHBondContact O-N 3.2Å |
| 94 | W | 92.5 | Very high | 90.9 | Very high | 46 Ų | 46 | 68.8 Ų | 68.8 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -85.4 | 39.9 | -173.3 | -66.6 | 18.9 | 0 | 0 | 0 | 112.8 | L32 L85 V87 W89 G90 W91 G96 I97 | L32-W94 HydrophobicContact CD2-CE3 4.18Å; L32-W94 HydrophobicContact CD2-CZ3 4.19Å; L85-W94 HydrophobicContact CD1-CB 3.89Å; L85-W94 HydrophobicContact CD1-CD2 3.84Å; L85-W94 HydrophobicContact CD1-CE3 3.93Å; L85-W94 HydrophobicContact CD1-CG 3.85Å; L85-W94 HydrophobicContact CD2-CD2 4.1Å; L85-W94 HydrophobicContact CD2-CG 4.41Å; L85-W94 HydrophobicContact CD2-CZ2 4.39Å; L85-W94 HydrophobicContact CG-CB 4.31Å; L85-W94 HydrophobicContact CG-CD2 4.08Å; L85-W94 HydrophobicContact CG-CG 3.94Å; V87-W94 HydrophobicContact CB-CZ2 4.2Å; V87-W94 HydrophobicContact CG1-CH2 4.47Å; V87-W94 HydrophobicContact CG1-CZ2 4.25Å; W89-W94 PolarHBondContact O-NE1 2.98Å; W89-W94 VanDerWaalsContact O-NE1 3.12Å; G90-W94 VanDerWaalsContact O-CD1 3.29Å; G90-W94 PolarHBondContact O-NE1 3.08Å; W91-W94 WeakPolarHBondContact O-CB 3.35Å; W91-W94 PolarHBondContact O-N 2.94Å; W94-G96 VanDerWaalsContact C-N 3.27Å; W94-G96 PolarHBondContact O-N 3.2Å; W94-I97 HydrophobicContact CB-CB 4.31Å; W94-I97 WeakPolarHBondContact O-CG1 3.17Å; W94-I97 PolarHBondContact O-N 3.07Å |
| 95 | G | 89.6 | Confident | 90.8 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 30.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H93 | H93-G95 PolarHBondContact O-N 3.2Š|
| 96 | G | 90.4 | Very high | 90.8 | Very high | 63 Ų | 63 | 69.8 Ų | 69.8 | 65% | 0.649 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 7.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | W94 L98 | W94-G96 VanDerWaalsContact C-N 3.27Å; W94-G96 PolarHBondContact O-N 3.2Å; G96-L98 PolarHBondContact O-N 3.3Å |
| 97 | I | 92.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 70.8 Ų | 70.8 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 119.6 | 168.6 | -62 | 179.3 | 0 | 0 | 0 | 108.5 | L32 Q55 L83 W94 L102 | L32-I97 HydrophobicContact CD1-CD1 3.54Å; L32-I97 HydrophobicContact CD2-CD1 3.74Å; L32-I97 HydrophobicContact CG-CD1 4.11Å; Q55-I97 HydrophobicContact CG-CD1 4.22Å; L83-I97 HydrophobicContact CD1-CD1 3.98Å; L83-I97 HydrophobicContact CD1-CG1 4.33Å; W94-I97 HydrophobicContact CB-CB 4.31Å; W94-I97 WeakPolarHBondContact O-CG1 3.17Å; W94-I97 PolarHBondContact O-N 3.07Å; I97-L102 HydrophobicContact CG2-CD1 3.84Å; I97-L102 HydrophobicContact CG2-CD2 4.23Å; I97-L102 HydrophobicContact CG2-CG 4.01Å |
| 98 | L | 92.1 | Very high | 90.8 | Very high | 104 Ų | 104 | 69.9 Ų | 69.9 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 151.5 | -178.5 | -61.2 | 177.6 | 0 | 0 | 0 | 110.6 | W91 G96 Q100 S101 | W91-L98 HydrophobicContact CZ3-CD2 3.95Å; G96-L98 PolarHBondContact O-N 3.3Å; L98-Q100 PolarHBondContact O-N 2.89Å; L98-S101 PolarHBondContact N-OG 2.95Å; L98-S101 WeakPolarHBondContact O-CB 3.32Å; L98-S101 PolarHBondContact O-N 2.81Å; L98-S101 VanDerWaalsContact O-N 3.14Å; L98-S101 PolarHBondContact O-OG 2.88Å |
| 99 | P | 88.2 | Confident | 90.3 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 137.7 | 171.3 | -25.2 | 35.8 | 0 | 0 | 0 | 110.2 | W91 S101 | W91-P99 HydrophobicContact CD2-CG 3.53Å; W91-P99 VanDerWaalsContact CE3-CD 3.43Å; W91-P99 HydrophobicContact CE3-CG 3.84Å; W91-P99 HydrophobicContact CG-CG 3.95Å; W91-P99 HydrophobicContact CH2-CG 4.29Å; W91-P99 HydrophobicContact CZ2-CG 4.05Å; W91-P99 HydrophobicContact CZ3-CG 4.2Å; P99-S101 PolarHBondContact O-N 3.29Å |
| 100 | Q | 87.9 | Confident | 89.2 | Confident | 166 Ų | 166 | 66.2 Ų | 66.2 | 78% | 0.776 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 17.4 | 179.2 | -38.5 | -172.9 | 36.3 | 0 | 0 | 114.7 | L98 K183 | L98-Q100 PolarHBondContact O-N 2.89Å; Q100-K183 VanDerWaalsContact CD-NZ 3.35Å |
| 101 | S | 92.6 | Very high | 87.6 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | trans | -97 | 10.2 | 176 | 83.6 | 0 | 0 | 0 | 0 | 114.1 | R30 L98 P99 | R30-S101 PolarHBondContact NE-O 3.14Å; R30-S101 PolarHBondContact NH1-O 3.4Å; R30-S101 PolarHBondContact NH2-O 3.18Å; L98-S101 PolarHBondContact N-OG 2.95Å; L98-S101 WeakPolarHBondContact O-CB 3.32Å; L98-S101 PolarHBondContact O-N 2.81Å; L98-S101 VanDerWaalsContact O-N 3.14Å; L98-S101 PolarHBondContact O-OG 2.88Å; P99-S101 PolarHBondContact O-N 3.29Å | ||
| 102 | L | 93.6 | Very high | 85.6 | Confident | 51 Ų | 51 | 61.7 Ų | 61.7 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | trans | -118.3 | 141.6 | -179.5 | -62.9 | 171.6 | 0 | 0 | 0 | 109.1 | R30 L32 I97 | R30-L102 HydrophobicContact CB-CD2 4.34Å; L32-L102 HydrophobicContact CB-CD1 3.5Å; L32-L102 VanDerWaalsContact CB-CD1 3.5Å; L32-L102 HydrophobicContact CB-CD2 3.95Å; L32-L102 HydrophobicContact CB-CG 4.36Å; L32-L102 HydrophobicContact CD2-CD1 3.78Å; L32-L102 HydrophobicContact CG-CD1 4.29Å; I97-L102 HydrophobicContact CG2-CD1 3.84Å; I97-L102 HydrophobicContact CG2-CD2 4.23Å; I97-L102 HydrophobicContact CG2-CG 4.01Å | ||
| 103 | D | 94.9 | Very high | 83.4 | Confident | 97 Ų | 97 | 60.3 Ų | 60.3 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -88.4 | -28.9 | 173.1 | -56.8 | -76.9 | 0 | 0 | 0 | 110.5 | V29 R30 | V29-D103 HydrophobicContact CG1-CB 3.93Å; R30-D103 PolarHBondContact N-OD2 3.03Å; R30-D103 PolarHBondContact O-N 3.19Å |
| 104 | L | 95 | Very high | 81.1 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 136.1 | 175.8 | -177.7 | 65.3 | 0 | 0 | 0 | 111.7 | L18 L22 R30 V31 L32 | L18-L104 HydrophobicContact CD2-CD2 3.82Å; L22-L104 HydrophobicContact CD1-CD2 3.8Å; L22-L104 HydrophobicContact CD2-CD2 4.44Å; L22-L104 HydrophobicContact CG-CD2 4.31Å; R30-L104 PolarHBondContact O-N 2.87Å; V31-L104 WeakPolarHBondContact CA-O 3.27Å; V31-L104 HydrophobicContact CG1-CB 4.22Å; V31-L104 HydrophobicContact CG1-CD2 4Å; V31-L104 HydrophobicContact CG1-CG 4.2Å; V31-L104 HydrophobicContact CG2-CB 4.18Å; V31-L104 HydrophobicContact CG2-CD2 4.34Å; L32-L104 PolarHBondContact N-O 2.97Å |
| 105 | L | 94.2 | Very high | 78.9 | Confident | 93 Ų | 93 | 55.3 Ų | 55.3 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.5 | 165.2 | -171.4 | 154.9 | 0 | 0 | 0 | 108.2 | L32 V34 | L32-L105 HydrophobicContact CD2-CD1 4.32Å; L32-L105 WeakPolarHBondContact O-CA 3.42Å; V34-L105 HydrophobicContact CG2-CD2 4.26Å; V34-L105 HydrophobicContact CG2-CG 4.37Å |
| 106 | L | 93.6 | Very high | 76.8 | Confident | 20 Ų | 20 | 56.7 Ų | 56.7 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.4 | -178.5 | -173.2 | 63.8 | 0 | 0 | 0 | 109.6 | L18 V31 L32 E33 V34 F45 W54 I108 | L18-L106 HydrophobicContact CD1-CD2 4.47Å; L18-L106 HydrophobicContact CD2-CD1 4.3Å; V31-L106 HydrophobicContact CG1-CB 4.49Å; L32-L106 PolarHBondContact O-N 3.07Å; E33-L106 CarbonylContact C-O 3.57Å; E33-L106 WeakPolarHBondContact CA-O 3.34Å; E33-L106 HydrophobicContact CB-CB 4.48Å; E33-L106 HydrophobicContact CG-CB 4.47Å; E33-L106 HydrophobicContact CG-CD2 4.24Å; E33-L106 HydrophobicContact CG-CG 4.46Å; V34-L106 PolarHBondContact N-O 3.29Å; F45-L106 HydrophobicContact CD2-CD2 3.92Å; F45-L106 HydrophobicContact CE2-CD2 3.9Å; W54-L106 HydrophobicContact CH2-CD2 4.13Å; W54-L106 HydrophobicContact CZ2-CD2 3.62Å; L106-I108 HydrophobicContact CD1-CD1 3.91Å; L106-I108 HydrophobicContact CD1-CG1 3.92Å; L106-I108 HydrophobicContact CD2-CD1 3.62Å; L106-I108 HydrophobicContact CD2-CG1 4.39Å; L106-I108 HydrophobicContact CG-CD1 3.71Å; L106-I108 HydrophobicContact CG-CG1 3.92Å |
| 107 | C | 90.8 | Very high | 74.5 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 112.5 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 108 | M110 | C107-M110 WeakPolarHBondContact SG-CB 3.42Å |
| 108 | I | 86.1 | Confident | 71.8 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.108 | 32% | 0.322 | C | S | . | . | trans | -124.8 | 128.2 | -174 | -60.2 | 161.9 | 0 | 0 | 0 | 109 | I14 H41 F45 L106 M110 | I14-I108 HydrophobicContact CD1-CD1 4.06Å; I14-I108 HydrophobicContact CD1-CG1 4.28Å; I14-I108 HydrophobicContact CD1-CG2 3.72Å; I14-I108 HydrophobicContact CG2-CD1 4.04Å; H41-I108 HydrophobicContact CB-CD1 4.42Å; F45-I108 HydrophobicContact CE2-CD1 3.58Å; F45-I108 HydrophobicContact CZ-CD1 4.1Å; L106-I108 HydrophobicContact CD1-CD1 3.91Å; L106-I108 HydrophobicContact CD1-CG1 3.92Å; L106-I108 HydrophobicContact CD2-CD1 3.62Å; L106-I108 HydrophobicContact CD2-CG1 4.39Å; L106-I108 HydrophobicContact CG-CD1 3.71Å; L106-I108 HydrophobicContact CG-CG1 3.92Å; I108-M110 PolarHBondContact O-N 2.83Å | ||
| 109 | N | 72.4 | Confident | 69.1 | Low | 49 Ų | 49 | 58.8 Ų | 58.8 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 54.4 | 5.8 | 175.4 | -62.9 | -25.6 | 0 | 0 | 0 | 116.6 | A111 H112 | N109-A111 PolarHBondContact O-N 3.49Å; N109-H112 WeakPolarHBondContact CA-CE1 3.26Å; N109-H112 PolarHBondContact O-CE1 2.84Å; N109-H112 PolarHBondContact O-NE2 2.79Å |
| 110 | M | 66.7 | Low | 66.9 | Low | 34 Ų | 34 | 55.8 Ų | 55.8 | 17% | 0.167 | 29% | 0.294 | C | S | . | . | trans | -60.9 | -25.5 | 165.1 | -161 | -87.7 | 173.9 | 0 | 0 | 111.2 | A35 V87 C107 I108 H112 V113 S114 C118 | A35-M110 HydrophobicContact CB-CB 3.68Å; A35-M110 HydrophobicContact CB-CG 3.19Å; V87-M110 HydrophobicContact CG2-CE 4.37Å; C107-M110 WeakPolarHBondContact SG-CB 3.42Å; I108-M110 PolarHBondContact O-N 2.83Å; M110-H112 VanDerWaalsContact C-N 3.32Å; M110-H112 PolarHBondContact O-N 3.28Å; M110-V113 PolarHBondContact O-N 3Å; M110-V113 VanDerWaalsContact O-N 3.13Å; M110-S114 PolarHBondContact O-OG 2.89Å; M110-S114 WeakPolarHBondContact SD-CB 3.14Å; M110-S114 PolarHBondContact SD-OG 3.3Å; M110-C118 HydrophobicContact CE-CB 3.34Å; M110-C118 HydrophobicContact SD-CB 3.59Å; M110-C118 VanDerWaalsContact SD-CB 3.59Å | ||
| 111 | A | 52.8 | Low | 64.9 | Low | 16 Ų | 16 | 48.9 Ų | 48.9 | 13% | 0.132 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -31.1 | -148.1 | 0 | 0 | 0 | 0 | 0 | 112 | N109 T119 E120 | N109-A111 PolarHBondContact O-N 3.49Å; A111-T119 CarbonylContact C-O 3.56Å; A111-T119 WeakPolarHBondContact CA-O 3.35Å; A111-T119 WeakPolarHBondContact CB-O 3.38Å; A111-E120 WeakPolarHBondContact CB-O 3.47Å; A111-E120 VanDerWaalsContact O-CA 3.24Å; A111-E120 WeakPolarHBondContact O-CA 3.36Å; A111-E120 WeakPolarHBondContact O-CG 3.43Å |
| 112 | H | 46.5 | Very low | 63 | Low | 41 Ų | 41 | 50.3 Ų | 50.3 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -5.1 | 179.4 | 31.5 | -80 | 0 | 0 | 0 | 114.5 | N109 M110 P121 F136 L140 | N109-H112 WeakPolarHBondContact CA-CE1 3.26Å; N109-H112 PolarHBondContact O-CE1 2.84Å; N109-H112 PolarHBondContact O-NE2 2.79Å; M110-H112 VanDerWaalsContact C-N 3.32Å; M110-H112 PolarHBondContact O-N 3.28Å; H112-P121 HydrophobicContact CB-CG 3.43Å; H112-P121 VanDerWaalsContact CB-CG 3.43Å; H112-F136 HydrophobicContact CB-CE1 4Å; H112-F136 HydrophobicContact CB-CZ 4.19Å; H112-L140 HydrophobicContact CB-CD1 4.08Å; H112-L140 WeakPolarHBondContact O-CD2 3.19Å |
| 113 | V | 46.4 | Very low | 61.2 | Low | 89 Ų | 89 | 48.1 Ų | 48.1 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -126.6 | 23.2 | -167 | -156 | 0 | 0 | 0 | 0 | 112.2 | M110 | M110-V113 PolarHBondContact O-N 3Å; M110-V113 VanDerWaalsContact O-N 3.13Å |
| 114 | S | 44.8 | Very low | 59.3 | Low | 10 Ų | 10 | 47.2 Ų | 47.2 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -137.7 | 159.4 | -175.6 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | M110 C118 W147 | M110-S114 PolarHBondContact O-OG 2.89Å; M110-S114 WeakPolarHBondContact SD-CB 3.14Å; M110-S114 PolarHBondContact SD-OG 3.3Å; S114-C118 WeakPolarHBondContact OG-CB 3.2Å; S114-W147 PolarHBondContact O-NE1 3.49Å |
| 115 | P | 46.1 | Very low | 57.7 | Low | 51 Ų | 51 | 52 Ų | 52 | 33% | 0.331 | 28% | 0.275 | S | S | . | . | trans | -62.5 | 155.8 | 174.1 | -18.6 | 31.5 | 0 | 0 | 0 | 112.1 | R117 C118 | P115-R117 HydrophobicContact CB-CG 4.36Å; P115-R117 PolarHBondContact O-N 3.18Å; P115-C118 PolarHBondContact O-N 3.36Å | ||
| 116 | L | 44.7 | Very low | 56.2 | Low | 82 Ų | 82 | 50.7 Ų | 50.7 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -24.8 | -40.4 | 175.3 | -101.9 | 145.7 | 0 | 0 | 0 | 117.8 | C118 E146 R150 | L116-C118 VanDerWaalsContact C-N 3.27Å; L116-C118 PolarHBondContact O-N 3.37Å; L116-E146 HydrophobicContact CD1-CB 4.16Å; L116-E146 HydrophobicContact CD1-CG 4.39Å; L116-E146 WeakPolarHBondContact CD1-OE2 3.39Å; L116-R150 VanDerWaalsContact CD2-NH1 3.31Å |
| 117 | R | 42 | Very low | 55 | Low | 161 Ų | 161 | 57 Ų | 57 | 61% | 0.608 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -76.5 | -1.7 | -174.7 | 54.1 | -170.8 | -160.2 | -91.6 | -4.1 | 114.8 | T88 P115 | T88-R117 HydrophobicContact CG2-CG 3.67Å; T88-R117 PolarHBondContact OG1-NH2 2.74Å; P115-R117 HydrophobicContact CB-CG 4.36Å; P115-R117 PolarHBondContact O-N 3.18Å |
| 118 | C | 36.2 | Very low | 53.9 | Low | 10 Ų | 10 | 56.5 Ų | 56.5 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -124.5 | 9.7 | -171.4 | -44.7 | 0 | 0 | 0 | 0 | 117.2 | V87 T88 M110 S114 P115 L116 | V87-C118 HydrophobicContact CG2-CB 3.69Å; V87-C118 WeakPolarHBondContact CG2-SG 3.35Å; T88-C118 WeakPolarHBondContact CG2-SG 3.26Å; M110-C118 HydrophobicContact CE-CB 3.34Å; M110-C118 HydrophobicContact SD-CB 3.59Å; M110-C118 VanDerWaalsContact SD-CB 3.59Å; S114-C118 WeakPolarHBondContact OG-CB 3.2Å; P115-C118 PolarHBondContact O-N 3.36Å; L116-C118 VanDerWaalsContact C-N 3.27Å; L116-C118 PolarHBondContact O-N 3.37Å |
| 119 | T | 36.3 | Very low | 52.9 | Low | 61 Ų | 61 | 58.9 Ų | 58.9 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | 75.3 | 157.1 | 168.3 | 65.6 | 0 | 0 | 0 | 0 | 118 | A111 L155 | A111-T119 CarbonylContact C-O 3.56Å; A111-T119 WeakPolarHBondContact CA-O 3.35Å; A111-T119 WeakPolarHBondContact CB-O 3.38Å; T119-L155 HydrophobicContact CG2-CD2 3.77Å | ||
| 120 | E | 41.4 | Very low | 52.7 | Low | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | trans | -137 | 172.2 | -149.3 | -71.9 | 154 | 154.2 | 0 | 0 | 120.4 | A111 R150 | A111-E120 WeakPolarHBondContact CB-O 3.47Å; A111-E120 VanDerWaalsContact O-CA 3.24Å; A111-E120 WeakPolarHBondContact O-CA 3.36Å; A111-E120 WeakPolarHBondContact O-CG 3.43Å; E120-R150 HydrophobicContact CB-CB 4.23Å; E120-R150 IonicContact OE1-CZ 2.62Å; E120-R150 IonicContact OE1-NE 2.81Å; E120-R150 PolarHBondContact OE1-NE 3.38Å; E120-R150 IonicContact OE1-NH1 3.35Å; E120-R150 PolarHBondContact OE1-NH1 2.88Å; E120-R150 IonicContact OE1-NH2 2.74Å; E120-R150 PolarHBondContact OE1-NH2 2.67Å; E120-R150 WeakPolarHBondContact OE2-CB 3.3Å; E120-R150 WeakPolarHBondContact OE2-CD 3.27Å; E120-R150 WeakPolarHBondContact OE2-CG 3.36Å; E120-R150 IonicContact OE2-CZ 2.97Å; E120-R150 VanDerWaalsContact OE2-CZ 3.23Å; E120-R150 IonicContact OE2-NE 2.6Å; E120-R150 PolarHBondContact OE2-NE 2.9Å; E120-R150 IonicContact OE2-NH1 3.45Å; E120-R150 PolarHBondContact OE2-NH1 3.44Å; E120-R150 IonicContact OE2-NH2 3.23Å | ||
| 121 | P | 46.3 | Very low | 53 | Low | 20 Ų | 20 | 63.4 Ų | 63.4 | 13% | 0.13 | 35% | 0.347 | C | S | . | . | trans | -93.4 | 165 | 160.9 | 17.2 | 2.7 | 0 | 0 | 0 | 113.2 | H112 L149 R150 | H112-P121 HydrophobicContact CB-CG 3.43Å; H112-P121 VanDerWaalsContact CB-CG 3.43Å; P121-L149 HydrophobicContact CB-CD2 3.65Å; P121-L149 HydrophobicContact CG-CD2 3.56Å; P121-L149 WeakPolarHBondContact O-CA 3.21Å; P121-R150 PolarHBondContact O-N 3.47Å | ||
| 122 | Y | 52.6 | Low | 53.5 | Low | 51 Ų | 51 | 65.8 Ų | 65.8 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.9 | -144.3 | -55.9 | -86.7 | 0 | 0 | 0 | 117.3 | R150 T152 L155 K177 L179 | Y122-R150 CarbonylContact C-O 3.35Å; Y122-R150 WeakPolarHBondContact CA-O 3.29Å; Y122-T152 HydrophobicContact CD1-CG2 3.28Å; Y122-T152 HydrophobicContact CE1-CG2 4.02Å; Y122-T152 HydrophobicContact CG-CG2 3.77Å; Y122-L155 HydrophobicContact CD1-CD1 3.93Å; Y122-L155 HydrophobicContact CE1-CD1 3.15Å; Y122-L155 HydrophobicContact CE1-CG 4.41Å; Y122-K177 HydrophobicContact CD2-CB 3.67Å; Y122-K177 HydrophobicContact CD2-CG 4.04Å; Y122-K177 HydrophobicContact CE2-CB 3.98Å; Y122-K177 HydrophobicContact CG-CB 4.49Å; Y122-L179 HydrophobicContact CD1-CD1 4.29Å; Y122-L179 HydrophobicContact CD1-CD2 4.27Å; Y122-L179 HydrophobicContact CD2-CD1 4.07Å; Y122-L179 HydrophobicContact CE1-CD1 3.57Å; Y122-L179 HydrophobicContact CE1-CD2 3.31Å; Y122-L179 HydrophobicContact CE1-CG 4.05Å; Y122-L179 HydrophobicContact CE2-CD1 3.43Å; Y122-L179 VanDerWaalsContact CE2-CD1 3.43Å; Y122-L179 HydrophobicContact CG-CD1 4.49Å; Y122-L179 VanDerWaalsContact OH-CD1 3.31Å; Y122-L179 WeakPolarHBondContact OH-CD1 3.33Å |
| 123 | A | 54.8 | Low | 54.5 | Low | 6 Ų | 6 | 65.2 Ų | 65.2 | 5% | 0.05 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 156.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | I128 R150 D151 T152 | A123-I128 HydrophobicContact CB-CG1 3.79Å; A123-R150 PolarHBondContact N-O 2.99Å; A123-D151 WeakPolarHBondContact O-CA 3.33Å; A123-T152 PolarHBondContact O-N 3.16Å; A123-T152 VanDerWaalsContact O-N 3.08Å |
| 124 | I | 56.5 | Low | 55.9 | Low | 77 Ų | 77 | 63 Ų | 63 | 40% | 0.395 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -119.5 | 115.7 | 173.9 | -59.7 | 173.6 | 0 | 0 | 0 | 107.4 | G126 K127 | I124-G126 VanDerWaalsContact C-N 3.34Å; I124-G126 PolarHBondContact O-N 2.91Å; I124-K127 PolarHBondContact N-O 2.81Å; I124-K127 VanDerWaalsContact N-O 3.07Å; I124-K127 PolarHBondContact O-N 2.95Å; I124-K127 VanDerWaalsContact O-N 3.11Å |
| 125 | N | 61.3 | Low | 57.3 | Low | 140 Ų | 140 | 66.6 Ų | 66.6 | 75% | 0.749 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 47.2 | -177.1 | -60.4 | -34.3 | 0 | 0 | 0 | 113 | K127 D151 | N125-K127 PolarHBondContact O-N 3.43Å; N125-D151 VanDerWaalsContact C-OD2 3.29Å; N125-D151 WeakPolarHBondContact CA-OD2 3.2Å; N125-D151 PolarHBondContact N-OD1 2.88Å; N125-D151 PolarHBondContact N-OD2 2.75Å |
| 126 | G | 62.8 | Low | 58.3 | Low | 66 Ų | 66 | 67.5 Ų | 67.5 | 68% | 0.68 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 0.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I124 D151 | I124-G126 VanDerWaalsContact C-N 3.34Å; I124-G126 PolarHBondContact O-N 2.91Å; G126-D151 PolarHBondContact N-OD2 3.06Å |
| 127 | K | 67.4 | Low | 59.5 | Low | 152 Ų | 152 | 64.2 Ų | 64.2 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | B | Isolated β-bridge | trans | -103.5 | 119.1 | -179.1 | -166 | 176 | -178.6 | 179.8 | 0 | 111.5 | I124 N125 | I124-K127 PolarHBondContact N-O 2.81Å; I124-K127 VanDerWaalsContact N-O 3.07Å; I124-K127 PolarHBondContact O-N 2.95Å; I124-K127 VanDerWaalsContact O-N 3.11Å; N125-K127 PolarHBondContact O-N 3.43Å |
| 128 | I | 67.6 | Low | 61.1 | Low | 42 Ų | 42 | 61 Ų | 61 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | trans | -88.2 | 125.9 | 169.5 | -61.3 | 169.8 | 0 | 0 | 0 | 108.5 | A123 N133 V134 D137 L149 | A123-I128 HydrophobicContact CB-CG1 3.79Å; I128-N133 HydrophobicContact CG2-CB 3.76Å; I128-V134 HydrophobicContact CB-CG2 4.15Å; I128-V134 HydrophobicContact CG2-CB 4.4Å; I128-V134 HydrophobicContact CG2-CG2 3.71Å; I128-D137 HydrophobicContact CD1-CB 3.99Å; I128-L149 HydrophobicContact CD1-CB 3.92Å; I128-L149 HydrophobicContact CD1-CD1 4.36Å; I128-L149 HydrophobicContact CG1-CB 4.16Å; I128-L149 HydrophobicContact CG1-CD1 4.36Å; I128-L149 HydrophobicContact CG2-CD1 3.54Å | ||
| 129 | S | 64.8 | Low | 62.9 | Low | 71 Ų | 71 | 63.8 Ų | 63.8 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | trans | -153.8 | 156.5 | 172.7 | 62.2 | 0 | 0 | 0 | 0 | 109.9 | N133 | S129-N133 PolarHBondContact O-ND2 2.93Š| ||
| 130 | P | 69.4 | Low | 64.4 | Low | 56 Ų | 56 | 61.2 Ų | 61.2 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | S | Bend | cis | -76.3 | -174 | -7.4 | 33.2 | -35.5 | 0 | 0 | 0 | 113.2 | S132 N133 V134 N175 | P130-S132 PolarHBondContact O-N 3.37Å; P130-S132 VanDerWaalsContact O-N 3.13Å; P130-N133 WeakPolarHBondContact O-CB 3.34Å; P130-N133 PolarHBondContact O-N 3.5Å; P130-V134 PolarHBondContact O-N 2.94Å; P130-N175 WeakPolarHBondContact CD-ND2 3.35Å; P130-N175 WeakPolarHBondContact CG-ND2 3.37Å |
| 131 | Q | 72.5 | Confident | 65.9 | Low | 121 Ų | 121 | 65.4 Ų | 65.4 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -53.3 | -35.8 | -176 | -172.8 | 61.4 | 45.1 | 0 | 0 | 113.4 | N133 V134 D135 | Q131-N133 PolarHBondContact O-N 2.97Å; Q131-V134 WeakPolarHBondContact O-CA 3.25Å; Q131-V134 WeakPolarHBondContact O-CB 3Å; Q131-V134 PolarHBondContact O-N 2.92Å; Q131-D135 PolarHBondContact NE2-OD1 3.25Å; Q131-D135 VanDerWaalsContact O-CG 3.27Å; Q131-D135 PolarHBondContact O-N 3.43Å |
| 132 | S | 62.8 | Low | 67.2 | Low | 67 Ų | 67 | 69.9 Ų | 69.9 | 47% | 0.469 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.4 | -32 | 175.6 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | P130 F136 | P130-S132 PolarHBondContact O-N 3.37Å; P130-S132 VanDerWaalsContact O-N 3.13Å; S132-F136 VanDerWaalsContact O-CB 3.27Å; S132-F136 WeakPolarHBondContact O-CB 3.3Å; S132-F136 PolarHBondContact O-N 3.12Å |
| 133 | N | 68.2 | Low | 68 | Low | 29 Ų | 29 | 76.2 Ų | 76.2 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -76.8 | -32.9 | 175.8 | -74.3 | 1.5 | 0 | 0 | 0 | 111.3 | I128 S129 P130 Q131 F136 D137 L149 | I128-N133 HydrophobicContact CG2-CB 3.76Å; S129-N133 PolarHBondContact O-ND2 2.93Å; P130-N133 WeakPolarHBondContact O-CB 3.34Å; P130-N133 PolarHBondContact O-N 3.5Å; Q131-N133 PolarHBondContact O-N 2.97Å; N133-F136 PolarHBondContact O-N 3.04Å; N133-D137 WeakPolarHBondContact O-CB 3.19Å; N133-D137 PolarHBondContact O-N 2.95Å; N133-L149 HydrophobicContact CB-CD1 3.72Å; N133-L149 WeakPolarHBondContact O-CD1 3.39Å |
| 134 | V | 74.8 | Confident | 68.2 | Low | 42 Ų | 42 | 78.2 Ų | 78.2 | 26% | 0.255 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | I128 P130 Q131 F136 D137 L138 | I128-V134 HydrophobicContact CB-CG2 4.15Å; I128-V134 HydrophobicContact CG2-CB 4.4Å; I128-V134 HydrophobicContact CG2-CG2 3.71Å; P130-V134 PolarHBondContact O-N 2.94Å; Q131-V134 WeakPolarHBondContact O-CA 3.25Å; Q131-V134 WeakPolarHBondContact O-CB 3Å; Q131-V134 PolarHBondContact O-N 2.92Å; V134-F136 VanDerWaalsContact C-N 3.27Å; V134-F136 PolarHBondContact O-N 2.99Å; V134-D137 WeakPolarHBondContact O-CB 2.99Å; V134-D137 PolarHBondContact O-N 2.98Å; V134-L138 HydrophobicContact CG1-CD1 4.32Å; V134-L138 WeakPolarHBondContact O-CG 3.48Å; V134-L138 PolarHBondContact O-N 3.37Å |
| 135 | D | 74.1 | Confident | 68.8 | Low | 85 Ų | 85 | 79.3 Ų | 79.3 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 178.9 | -57.8 | -24.2 | 0 | 0 | 0 | 111.2 | Q131 M139 | Q131-D135 PolarHBondContact NE2-OD1 3.25Å; Q131-D135 VanDerWaalsContact O-CG 3.27Å; Q131-D135 PolarHBondContact O-N 3.43Å; D135-M139 WeakPolarHBondContact O-CB 3.09Å; D135-M139 PolarHBondContact O-N 3.47Å |
| 136 | F | 67.4 | Low | 68.7 | Low | 70 Ų | 70 | 77.8 Ų | 77.8 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 174.6 | -173.4 | -115 | 0 | 0 | 0 | 112.5 | H112 S132 N133 V134 L138 M139 L140 L149 | H112-F136 HydrophobicContact CB-CE1 4Å; H112-F136 HydrophobicContact CB-CZ 4.19Å; S132-F136 VanDerWaalsContact O-CB 3.27Å; S132-F136 WeakPolarHBondContact O-CB 3.3Å; S132-F136 PolarHBondContact O-N 3.12Å; N133-F136 PolarHBondContact O-N 3.04Å; V134-F136 VanDerWaalsContact C-N 3.27Å; V134-F136 PolarHBondContact O-N 2.99Å; F136-L138 VanDerWaalsContact C-N 3.34Å; F136-L138 PolarHBondContact O-N 3.27Å; F136-M139 HydrophobicContact CD2-CE 3.42Å; F136-M139 VanDerWaalsContact CD2-CE 3.42Å; F136-M139 HydrophobicContact CE2-CE 3.41Å; F136-M139 VanDerWaalsContact CE2-CE 3.41Å; F136-M139 PolarHBondContact O-N 3.13Å; F136-L140 HydrophobicContact CD1-CD1 3.9Å; F136-L140 HydrophobicContact CD1-CG 4.43Å; F136-L140 HydrophobicContact CE1-CD1 3.56Å; F136-L140 HydrophobicContact CE1-CG 4.18Å; F136-L140 HydrophobicContact CE2-CD2 4.43Å; F136-L140 HydrophobicContact CE2-CG 4.43Å; F136-L140 HydrophobicContact CZ-CD1 3.97Å; F136-L140 HydrophobicContact CZ-CD2 4.14Å; F136-L140 HydrophobicContact CZ-CG 4.17Å; F136-L140 WeakPolarHBondContact O-CG 2.76Å; F136-L140 PolarHBondContact O-N 3.25Å; F136-L149 HydrophobicContact CD1-CD2 4.35Å |
| 137 | D | 70.5 | Confident | 68.4 | Low | 14 Ų | 14 | 77.2 Ų | 77.2 | 8% | 0.075 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.4 | -47.4 | 174.3 | 177.8 | 76 | 0 | 0 | 0 | 111.6 | I128 N133 V134 M139 L140 R141 G148 L149 | I128-D137 HydrophobicContact CD1-CB 3.99Å; N133-D137 WeakPolarHBondContact O-CB 3.19Å; N133-D137 PolarHBondContact O-N 2.95Å; V134-D137 WeakPolarHBondContact O-CB 2.99Å; V134-D137 PolarHBondContact O-N 2.98Å; D137-M139 PolarHBondContact O-N 2.89Å; D137-L140 PolarHBondContact O-N 3.24Å; D137-R141 VanDerWaalsContact CG-NE 3.29Å; D137-R141 WeakPolarHBondContact O-CG 3.28Å; D137-R141 PolarHBondContact O-N 2.69Å; D137-R141 IonicContact OD1-CZ 2.81Å; D137-R141 IonicContact OD1-NE 3.94Å; D137-R141 PolarHBondContact OD1-NE 3.19Å; D137-R141 IonicContact OD1-NH2 3.43Å; D137-R141 PolarHBondContact OD1-NH2 3.13Å; D137-R141 VanDerWaalsContact OD1-NH2 3.16Å; D137-R141 WeakPolarHBondContact OD2-CD 3.39Å; D137-R141 IonicContact OD2-CZ 2.93Å; D137-R141 IonicContact OD2-NE 2.67Å; D137-R141 PolarHBondContact OD2-NE 2.88Å; D137-R141 IonicContact OD2-NH2 3.25Å; D137-G148 WeakPolarHBondContact OD1-CA 3.29Å; D137-L149 HydrophobicContact CB-CB 4.41Å; D137-L149 HydrophobicContact CB-CD1 4.08Å; D137-L149 HydrophobicContact CB-CG 3.93Å; D137-L149 PolarHBondContact OD1-N 3.04Å |
| 138 | L | 74.9 | Confident | 68 | Low | 93 Ų | 93 | 70.1 Ų | 70.1 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.9 | -69.8 | 172 | 0 | 0 | 0 | 111.5 | V134 F136 L140 R141 C142 | V134-L138 HydrophobicContact CG1-CD1 4.32Å; V134-L138 WeakPolarHBondContact O-CG 3.48Å; V134-L138 PolarHBondContact O-N 3.37Å; F136-L138 VanDerWaalsContact C-N 3.34Å; F136-L138 PolarHBondContact O-N 3.27Å; L138-L140 VanDerWaalsContact C-N 3.33Å; L138-L140 PolarHBondContact O-N 2.79Å; L138-R141 PolarHBondContact O-N 3.05Å; L138-C142 WeakPolarHBondContact O-CB 3.34Å; L138-C142 PolarHBondContact O-N 2.88Å; L138-C142 PolarHBondContact O-SG 3.2Å |
| 139 | M | 74.9 | Confident | 67.6 | Low | 68 Ų | 68 | 68.6 Ų | 68.6 | 34% | 0.335 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 177.3 | -176.2 | -86 | -64.6 | 0 | 0 | 112.2 | D135 F136 D137 R143 | D135-M139 WeakPolarHBondContact O-CB 3.09Å; D135-M139 PolarHBondContact O-N 3.47Å; F136-M139 HydrophobicContact CD2-CE 3.42Å; F136-M139 VanDerWaalsContact CD2-CE 3.42Å; F136-M139 HydrophobicContact CE2-CE 3.41Å; F136-M139 VanDerWaalsContact CE2-CE 3.41Å; F136-M139 PolarHBondContact O-N 3.13Å; D137-M139 PolarHBondContact O-N 2.89Å; M139-R143 WeakPolarHBondContact O-CG 3.24Å; M139-R143 PolarHBondContact O-N 2.87Å; M139-R143 PolarHBondContact SD-NE 3.13Å |
| 140 | L | 68.1 | Low | 67.6 | Low | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -50.8 | 175.3 | -71.6 | 176.6 | 0 | 0 | 0 | 111.3 | H112 F136 D137 L138 C142 R143 N144 W147 | H112-L140 HydrophobicContact CB-CD1 4.08Å; H112-L140 WeakPolarHBondContact O-CD2 3.19Å; F136-L140 HydrophobicContact CD1-CD1 3.9Å; F136-L140 HydrophobicContact CD1-CG 4.43Å; F136-L140 HydrophobicContact CE1-CD1 3.56Å; F136-L140 HydrophobicContact CE1-CG 4.18Å; F136-L140 HydrophobicContact CE2-CD2 4.43Å; F136-L140 HydrophobicContact CE2-CG 4.43Å; F136-L140 HydrophobicContact CZ-CD1 3.97Å; F136-L140 HydrophobicContact CZ-CD2 4.14Å; F136-L140 HydrophobicContact CZ-CG 4.17Å; F136-L140 WeakPolarHBondContact O-CG 2.76Å; F136-L140 PolarHBondContact O-N 3.25Å; D137-L140 PolarHBondContact O-N 3.24Å; L138-L140 VanDerWaalsContact C-N 3.33Å; L138-L140 PolarHBondContact O-N 2.79Å; L140-C142 VanDerWaalsContact C-N 3.3Å; L140-C142 PolarHBondContact O-N 3.23Å; L140-R143 WeakPolarHBondContact O-CB 3.45Å; L140-R143 PolarHBondContact O-N 3.03Å; L140-N144 PolarHBondContact O-N 3.24Å; L140-W147 HydrophobicContact CB-CB 3.99Å; L140-W147 HydrophobicContact CD2-CE3 4.08Å |
| 141 | R | 71.4 | Confident | 67.5 | Low | 95 Ų | 95 | 66.5 Ų | 66.5 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -36.1 | 180 | -74.6 | 176.4 | -166.1 | -73.4 | -2.8 | 113.3 | D137 L138 R143 N144 W147 | D137-R141 VanDerWaalsContact CG-NE 3.29Å; D137-R141 WeakPolarHBondContact O-CG 3.28Å; D137-R141 PolarHBondContact O-N 2.69Å; D137-R141 IonicContact OD1-CZ 2.81Å; D137-R141 IonicContact OD1-NE 3.94Å; D137-R141 PolarHBondContact OD1-NE 3.19Å; D137-R141 IonicContact OD1-NH2 3.43Å; D137-R141 PolarHBondContact OD1-NH2 3.13Å; D137-R141 VanDerWaalsContact OD1-NH2 3.16Å; D137-R141 WeakPolarHBondContact OD2-CD 3.39Å; D137-R141 IonicContact OD2-CZ 2.93Å; D137-R141 IonicContact OD2-NE 2.67Å; D137-R141 PolarHBondContact OD2-NE 2.88Å; D137-R141 IonicContact OD2-NH2 3.25Å; L138-R141 PolarHBondContact O-N 3.05Å; R141-R143 PolarHBondContact O-N 3.25Å; R141-N144 WeakPolarHBondContact CA-O 3.42Å; R141-N144 CarbonylContact O-C 3.14Å; R141-N144 PolarHBondContact O-N 3.03Å; R141-W147 WeakPolarHBondContact CG-O 3.35Å; R141-W147 PolarHBondContact NH1-O 3.07Å |
| 142 | C | 74.6 | Confident | 67.5 | Low | 114 Ų | 114 | 61.3 Ų | 61.3 | 77% | 0.77 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.5 | -31 | 173.7 | -78.3 | 0 | 0 | 0 | 0 | 112.7 | L138 L140 | L138-C142 WeakPolarHBondContact O-CB 3.34Å; L138-C142 PolarHBondContact O-N 2.88Å; L138-C142 PolarHBondContact O-SG 3.2Å; L140-C142 VanDerWaalsContact C-N 3.3Å; L140-C142 PolarHBondContact O-N 3.23Å |
| 143 | R | 69.7 | Low | 68.1 | Low | 185 Ų | 185 | 60 Ų | 60 | 70% | 0.698 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -83.6 | -36.2 | 177.2 | -68.8 | 178.9 | 178.4 | -165.5 | 1 | 112.2 | M139 L140 R141 W147 | M139-R143 WeakPolarHBondContact O-CG 3.24Å; M139-R143 PolarHBondContact O-N 2.87Å; M139-R143 PolarHBondContact SD-NE 3.13Å; L140-R143 WeakPolarHBondContact O-CB 3.45Å; L140-R143 PolarHBondContact O-N 3.03Å; R141-R143 PolarHBondContact O-N 3.25Å; R143-W147 HydrophobicContact CB-CE3 4.04Å; R143-W147 HydrophobicContact CB-CZ3 3.79Å |
| 144 | N | 58.2 | Low | 68.4 | Low | 48 Ų | 48 | 61.8 Ų | 61.8 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | trans | -154 | 119.6 | 174.2 | -175.7 | -24.6 | 0 | 0 | 0 | 108.8 | L140 R141 E146 W147 | L140-N144 PolarHBondContact O-N 3.24Å; R141-N144 WeakPolarHBondContact CA-O 3.42Å; R141-N144 CarbonylContact O-C 3.14Å; R141-N144 PolarHBondContact O-N 3.03Å; N144-E146 PolarHBondContact O-N 3.26Å; N144-E146 VanDerWaalsContact O-N 3.08Å; N144-E146 WeakPolarHBondContact OD1-CB 3.5Å; N144-E146 PolarHBondContact OD1-N 2.85Å; N144-W147 HydrophobicContact CB-CB 4.32Å; N144-W147 HydrophobicContact CB-CD2 3.46Å; N144-W147 VanDerWaalsContact CB-CD2 3.46Å; N144-W147 HydrophobicContact CB-CE3 3.91Å; N144-W147 HydrophobicContact CB-CG 3.63Å; N144-W147 HydrophobicContact CB-CZ2 4.22Å; N144-W147 HydrophobicContact CB-CZ3 4.46Å; N144-W147 PolarHBondContact ND2-NE1 3.12Å; N144-W147 WeakPolarHBondContact O-CB 3.19Å; N144-W147 PolarHBondContact O-N 3.38Å | ||
| 145 | P | 69.8 | Low | 68.6 | Low | 99 Ų | 99 | 60.4 Ų | 60.4 | 64% | 0.643 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.5 | -178.6 | -25.2 | 33.9 | 0 | 0 | 0 | 114.5 | W147 | P145-W147 VanDerWaalsContact C-N 3.27Å; P145-W147 PolarHBondContact O-N 3.06Å |
| 146 | E | 58.6 | Low | 69 | Low | 108 Ų | 108 | 59.5 Ų | 59.5 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.5 | 178.7 | -55.9 | -71 | 92.9 | 0 | 0 | 112.7 | L116 N144 | L116-E146 HydrophobicContact CD1-CB 4.16Å; L116-E146 HydrophobicContact CD1-CG 4.39Å; L116-E146 WeakPolarHBondContact CD1-OE2 3.39Å; N144-E146 PolarHBondContact O-N 3.26Å; N144-E146 VanDerWaalsContact O-N 3.08Å; N144-E146 WeakPolarHBondContact OD1-CB 3.5Å; N144-E146 PolarHBondContact OD1-N 2.85Å |
| 147 | W | 57.3 | Low | 69.7 | Low | 55 Ų | 55 | 60.7 Ų | 60.7 | 21% | 0.208 | 31% | 0.307 | C | S | . | . | trans | -85.8 | 166.1 | 173.6 | -61.8 | -7.2 | 0 | 0 | 0 | 111.2 | S114 L140 R141 R143 N144 P145 | S114-W147 PolarHBondContact O-NE1 3.49Å; L140-W147 HydrophobicContact CB-CB 3.99Å; L140-W147 HydrophobicContact CD2-CE3 4.08Å; R141-W147 WeakPolarHBondContact CG-O 3.35Å; R141-W147 PolarHBondContact NH1-O 3.07Å; R143-W147 HydrophobicContact CB-CE3 4.04Å; R143-W147 HydrophobicContact CB-CZ3 3.79Å; N144-W147 HydrophobicContact CB-CB 4.32Å; N144-W147 HydrophobicContact CB-CD2 3.46Å; N144-W147 VanDerWaalsContact CB-CD2 3.46Å; N144-W147 HydrophobicContact CB-CE3 3.91Å; N144-W147 HydrophobicContact CB-CG 3.63Å; N144-W147 HydrophobicContact CB-CZ2 4.22Å; N144-W147 HydrophobicContact CB-CZ3 4.46Å; N144-W147 PolarHBondContact ND2-NE1 3.12Å; N144-W147 WeakPolarHBondContact O-CB 3.19Å; N144-W147 PolarHBondContact O-N 3.38Å; P145-W147 VanDerWaalsContact C-N 3.27Å; P145-W147 PolarHBondContact O-N 3.06Å | ||
| 148 | G | 58.4 | Low | 70.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 143.9 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D137 | D137-G148 WeakPolarHBondContact OD1-CA 3.29Š|
| 149 | L | 60.2 | Low | 70.7 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | trans | -80.6 | 136.5 | 171.9 | -58.1 | -178.6 | 0 | 0 | 0 | 109.5 | P121 I128 N133 F136 D137 | P121-L149 HydrophobicContact CB-CD2 3.65Å; P121-L149 HydrophobicContact CG-CD2 3.56Å; P121-L149 WeakPolarHBondContact O-CA 3.21Å; I128-L149 HydrophobicContact CD1-CB 3.92Å; I128-L149 HydrophobicContact CD1-CD1 4.36Å; I128-L149 HydrophobicContact CG1-CB 4.16Å; I128-L149 HydrophobicContact CG1-CD1 4.36Å; I128-L149 HydrophobicContact CG2-CD1 3.54Å; N133-L149 HydrophobicContact CB-CD1 3.72Å; N133-L149 WeakPolarHBondContact O-CD1 3.39Å; F136-L149 HydrophobicContact CD1-CD2 4.35Å; D137-L149 HydrophobicContact CB-CB 4.41Å; D137-L149 HydrophobicContact CB-CD1 4.08Å; D137-L149 HydrophobicContact CB-CG 3.93Å; D137-L149 PolarHBondContact OD1-N 3.04Å | ||
| 150 | R | 63.3 | Low | 71.3 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 19% | 0.192 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 160.4 | -179.5 | -75.6 | -138.4 | -161.5 | 109.3 | 19.7 | 112.8 | L116 E120 P121 Y122 A123 | L116-R150 VanDerWaalsContact CD2-NH1 3.31Å; E120-R150 HydrophobicContact CB-CB 4.23Å; E120-R150 IonicContact OE1-CZ 2.62Å; E120-R150 IonicContact OE1-NE 2.81Å; E120-R150 PolarHBondContact OE1-NE 3.38Å; E120-R150 IonicContact OE1-NH1 3.35Å; E120-R150 PolarHBondContact OE1-NH1 2.88Å; E120-R150 IonicContact OE1-NH2 2.74Å; E120-R150 PolarHBondContact OE1-NH2 2.67Å; E120-R150 WeakPolarHBondContact OE2-CB 3.3Å; E120-R150 WeakPolarHBondContact OE2-CD 3.27Å; E120-R150 WeakPolarHBondContact OE2-CG 3.36Å; E120-R150 IonicContact OE2-CZ 2.97Å; E120-R150 VanDerWaalsContact OE2-CZ 3.23Å; E120-R150 IonicContact OE2-NE 2.6Å; E120-R150 PolarHBondContact OE2-NE 2.9Å; E120-R150 IonicContact OE2-NH1 3.45Å; E120-R150 PolarHBondContact OE2-NH1 3.44Å; E120-R150 IonicContact OE2-NH2 3.23Å; P121-R150 PolarHBondContact O-N 3.47Å; Y122-R150 CarbonylContact C-O 3.35Å; Y122-R150 WeakPolarHBondContact CA-O 3.29Å; A123-R150 PolarHBondContact N-O 2.99Å |
| 151 | D | 68 | Low | 72.1 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 135.4 | -173.5 | -157.3 | -36.9 | 0 | 0 | 0 | 112.6 | A123 N125 G126 A153 L154 | A123-D151 WeakPolarHBondContact O-CA 3.33Å; N125-D151 VanDerWaalsContact C-OD2 3.29Å; N125-D151 WeakPolarHBondContact CA-OD2 3.2Å; N125-D151 PolarHBondContact N-OD1 2.88Å; N125-D151 PolarHBondContact N-OD2 2.75Å; G126-D151 PolarHBondContact N-OD2 3.06Å; D151-A153 HydrophobicContact CB-CB 4.4Å; D151-A153 PolarHBondContact O-N 2.86Å; D151-A153 VanDerWaalsContact O-N 3.13Å; D151-A153 PolarHBondContact OD1-N 3.5Å; D151-L154 WeakPolarHBondContact O-CB 3.31Å; D151-L154 PolarHBondContact O-N 3.41Å |
| 152 | T | 71.4 | Confident | 72.7 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -45.1 | -36.4 | 163.8 | 43.4 | 0 | 0 | 0 | 0 | 113.6 | Y122 A123 L154 L155 E156 M169 | Y122-T152 HydrophobicContact CD1-CG2 3.28Å; Y122-T152 HydrophobicContact CE1-CG2 4.02Å; Y122-T152 HydrophobicContact CG-CG2 3.77Å; A123-T152 PolarHBondContact O-N 3.16Å; A123-T152 VanDerWaalsContact O-N 3.08Å; T152-L154 VanDerWaalsContact C-N 3.31Å; T152-L154 PolarHBondContact O-N 3.28Å; T152-L155 PolarHBondContact O-N 3.03Å; T152-E156 PolarHBondContact O-N 3.23Å; T152-M169 HydrophobicContact CG2-CE 4.32Å; T152-M169 HydrophobicContact CG2-SD 3.79Å |
| 153 | A | 76 | Confident | 73.3 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D151 L155 E156 D157 | D151-A153 HydrophobicContact CB-CB 4.4Å; D151-A153 PolarHBondContact O-N 2.86Å; D151-A153 VanDerWaalsContact O-N 3.13Å; D151-A153 PolarHBondContact OD1-N 3.5Å; A153-L155 PolarHBondContact O-N 2.91Å; A153-E156 PolarHBondContact O-N 3.3Å; A153-D157 PolarHBondContact O-N 3.01Å |
| 154 | L | 75.8 | Confident | 74.3 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.4 | 178.4 | 66.2 | 0 | 0 | 0 | 111.3 | D151 T152 E156 D157 L158 | D151-L154 WeakPolarHBondContact O-CB 3.31Å; D151-L154 PolarHBondContact O-N 3.41Å; T152-L154 VanDerWaalsContact C-N 3.31Å; T152-L154 PolarHBondContact O-N 3.28Å; L154-E156 VanDerWaalsContact C-N 3.32Å; L154-D157 PolarHBondContact O-N 3.25Å; L154-L158 HydrophobicContact CD1-CD1 4.45Å; L154-L158 HydrophobicContact CD1-CG 4.46Å; L154-L158 HydrophobicContact CG-CD1 4.11Å; L154-L158 WeakPolarHBondContact O-CB 3.37Å; L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.27Å |
| 155 | L | 77.3 | Confident | 75.9 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.4 | -32.6 | -180 | -72.9 | 165.5 | 0 | 0 | 0 | 111.6 | T119 Y122 T152 A153 L158 G159 F181 | T119-L155 HydrophobicContact CG2-CD2 3.77Å; Y122-L155 HydrophobicContact CD1-CD1 3.93Å; Y122-L155 HydrophobicContact CE1-CD1 3.15Å; Y122-L155 HydrophobicContact CE1-CG 4.41Å; T152-L155 PolarHBondContact O-N 3.03Å; A153-L155 PolarHBondContact O-N 2.91Å; L155-L158 HydrophobicContact CD2-CD1 4.39Å; L155-G159 PolarHBondContact O-N 2.92Å; L155-F181 HydrophobicContact CB-CZ 4.3Å; L155-F181 WeakPolarHBondContact O-CE1 3.49Å; L155-F181 WeakPolarHBondContact O-CZ 3.34Å |
| 156 | E | 83.8 | Confident | 76.9 | Confident | 66 Ų | 66 | 54 Ų | 54 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 169.4 | -170.6 | -179.1 | 156.8 | 0 | 0 | 112 | T152 A153 L154 G159 K160 L166 | T152-E156 PolarHBondContact O-N 3.23Å; A153-E156 PolarHBondContact O-N 3.3Å; L154-E156 VanDerWaalsContact C-N 3.32Å; E156-G159 PolarHBondContact O-N 2.62Å; E156-K160 WeakPolarHBondContact O-CG 3.31Å; E156-K160 PolarHBondContact O-N 3.38Å; E156-K160 VanDerWaalsContact OE1-CE 3.24Å; E156-K160 WeakPolarHBondContact OE1-CE 3.45Å; E156-K160 IonicContact OE1-NZ 2.69Å; E156-K160 PolarHBondContact OE1-NZ 2.82Å; E156-L166 HydrophobicContact CB-CB 4.48Å; E156-L166 HydrophobicContact CB-CD2 4.19Å; E156-L166 HydrophobicContact CG-CB 3.93Å; E156-L166 HydrophobicContact CG-CD2 4.2Å |
| 157 | D | 82.1 | Confident | 78.5 | Confident | 96 Ų | 96 | 53.3 Ų | 53.3 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 179.5 | -73.1 | -19.6 | 0 | 0 | 0 | 112.4 | A153 L154 G159 K160 A161 | A153-D157 PolarHBondContact O-N 3.01Å; L154-D157 PolarHBondContact O-N 3.25Å; D157-G159 VanDerWaalsContact C-N 3.35Å; D157-K160 PolarHBondContact O-N 3.46Å; D157-A161 WeakPolarHBondContact O-CB 3.47Å; D157-A161 PolarHBondContact O-N 2.98Å |
| 158 | L | 81.9 | Confident | 80.1 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 173.4 | -73.1 | 172.2 | 0 | 0 | 0 | 112 | L154 L155 A161 S162 | L154-L158 HydrophobicContact CD1-CD1 4.45Å; L154-L158 HydrophobicContact CD1-CG 4.46Å; L154-L158 HydrophobicContact CG-CD1 4.11Å; L154-L158 WeakPolarHBondContact O-CB 3.37Å; L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.35Å; L154-L158 PolarHBondContact O-N 3.27Å; L155-L158 HydrophobicContact CD2-CD1 4.39Å; L158-A161 PolarHBondContact O-N 3.21Å; L158-S162 WeakPolarHBondContact O-CB 2.91Å; L158-S162 PolarHBondContact O-N 3.09Å; L158-S162 VanDerWaalsContact O-N 3.11Å; L158-S162 PolarHBondContact O-OG 3.44Å |
| 159 | G | 84.6 | Confident | 81.6 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 7% | 0.072 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56 | -53.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L155 E156 D157 A161 S162 G163 L164 | L155-G159 PolarHBondContact O-N 2.92Å; E156-G159 PolarHBondContact O-N 2.62Å; D157-G159 VanDerWaalsContact C-N 3.35Å; G159-A161 PolarHBondContact O-N 3.46Å; G159-S162 CarbonylContact O-C 3.54Å; G159-S162 WeakPolarHBondContact O-CA 3.36Å; G159-S162 WeakPolarHBondContact O-CB 3.37Å; G159-S162 PolarHBondContact O-N 3.45Å; G159-G163 PolarHBondContact O-N 2.93Å; G159-G163 VanDerWaalsContact O-N 3.13Å; G159-L164 CarbonylContact C-O 3.58Å; G159-L164 WeakPolarHBondContact O-CA 3.4Å; G159-L164 WeakPolarHBondContact O-CB 3.48Å; G159-L164 PolarHBondContact O-N 2.67Å |
| 160 | K | 86.4 | Confident | 82.9 | Confident | 98 Ų | 98 | 59.8 Ų | 59.8 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | -179.9 | -73.7 | 170.1 | -174.4 | 159.2 | 0 | 112.3 | E156 D157 S162 G163 L164 L165 | E156-K160 WeakPolarHBondContact O-CG 3.31Å; E156-K160 PolarHBondContact O-N 3.38Å; E156-K160 VanDerWaalsContact OE1-CE 3.24Å; E156-K160 WeakPolarHBondContact OE1-CE 3.45Å; E156-K160 IonicContact OE1-NZ 2.69Å; E156-K160 PolarHBondContact OE1-NZ 2.82Å; D157-K160 PolarHBondContact O-N 3.46Å; K160-S162 PolarHBondContact O-N 3.03Å; K160-G163 PolarHBondContact O-N 3.4Å; K160-L164 WeakPolarHBondContact CA-O 3.13Å; K160-L164 PolarHBondContact N-O 3.18Å; K160-L164 VanDerWaalsContact N-O 3.1Å; K160-L165 HydrophobicContact CG-CD2 4.17Å |
| 161 | A | 84.9 | Confident | 83.8 | Confident | 92 Ų | 92 | 63 Ų | 63 | 76% | 0.76 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.1 | -25.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D157 L158 G159 | D157-A161 WeakPolarHBondContact O-CB 3.47Å; D157-A161 PolarHBondContact O-N 2.98Å; L158-A161 PolarHBondContact O-N 3.21Å; G159-A161 PolarHBondContact O-N 3.46Å |
| 162 | S | 83.7 | Confident | 84.4 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 7.8 | 178.7 | -50.3 | 0 | 0 | 0 | 0 | 113.4 | L158 G159 K160 L164 | L158-S162 WeakPolarHBondContact O-CB 2.91Å; L158-S162 PolarHBondContact O-N 3.09Å; L158-S162 VanDerWaalsContact O-N 3.11Å; L158-S162 PolarHBondContact O-OG 3.44Å; G159-S162 CarbonylContact O-C 3.54Å; G159-S162 WeakPolarHBondContact O-CA 3.36Å; G159-S162 WeakPolarHBondContact O-CB 3.37Å; G159-S162 PolarHBondContact O-N 3.45Å; K160-S162 PolarHBondContact O-N 3.03Å; S162-L164 VanDerWaalsContact C-N 3.34Å |
| 163 | G | 88.4 | Confident | 84.6 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 18.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | G159 K160 | G159-G163 PolarHBondContact O-N 2.93Å; G159-G163 VanDerWaalsContact O-N 3.13Å; K160-G163 PolarHBondContact O-N 3.4Å |
| 164 | L | 90.3 | Very high | 84.2 | Confident | 60 Ų | 60 | 65.7 Ų | 65.7 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.3 | 174.6 | -59.5 | 175.4 | 0 | 0 | 0 | 110 | G159 K160 S162 F181 R182 K183 | G159-L164 CarbonylContact C-O 3.58Å; G159-L164 WeakPolarHBondContact O-CA 3.4Å; G159-L164 WeakPolarHBondContact O-CB 3.48Å; G159-L164 PolarHBondContact O-N 2.67Å; K160-L164 WeakPolarHBondContact CA-O 3.13Å; K160-L164 PolarHBondContact N-O 3.18Å; K160-L164 VanDerWaalsContact N-O 3.1Å; S162-L164 VanDerWaalsContact C-N 3.34Å; L164-F181 HydrophobicContact CB-CB 4.23Å; L164-F181 HydrophobicContact CB-CD1 4.26Å; L164-F181 HydrophobicContact CD1-CB 4.42Å; L164-R182 WeakPolarHBondContact CA-O 3.33Å; L164-K183 HydrophobicContact CD2-CB 3.91Å; L164-K183 HydrophobicContact CD2-CG 4.31Å |
| 165 | L | 92 | Very high | 83.8 | Confident | 68 Ų | 68 | 66.9 Ų | 66.9 | 36% | 0.356 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 134.2 | 172.3 | -64.4 | -176.9 | 0 | 0 | 0 | 109.9 | K160 E167 F181 R182 N184 | K160-L165 HydrophobicContact CG-CD2 4.17Å; L165-E167 PolarHBondContact O-N 2.96Å; L165-F181 CarbonylContact O-C 3.58Å; L165-F181 VanDerWaalsContact O-CA 3.27Å; L165-F181 WeakPolarHBondContact O-CA 3.11Å; L165-R182 PolarHBondContact N-O 2.84Å; L165-R182 PolarHBondContact O-N 3.4Å; L165-N184 WeakPolarHBondContact CD1-ND2 3.46Å; L165-N184 WeakPolarHBondContact CD1-OD1 3.5Å |
| 166 | L | 90.3 | Very high | 83.6 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 105.4 | 167.8 | -179.1 | 62.9 | 0 | 0 | 0 | 108.1 | E156 L179 F181 | E156-L166 HydrophobicContact CB-CB 4.48Å; E156-L166 HydrophobicContact CB-CD2 4.19Å; E156-L166 HydrophobicContact CG-CB 3.93Å; E156-L166 HydrophobicContact CG-CD2 4.2Å; L166-L179 HydrophobicContact CD1-CB 3.92Å; L166-L179 HydrophobicContact CD1-CD2 4.07Å; L166-L179 HydrophobicContact CD1-CG 4.03Å; L166-F181 HydrophobicContact CB-CD1 4.16Å; L166-F181 HydrophobicContact CB-CE1 3.84Å; L166-F181 HydrophobicContact CB-CZ 4.39Å; L166-F181 HydrophobicContact CD1-CD1 4.47Å; L166-F181 HydrophobicContact CD1-CD2 4.39Å; L166-F181 HydrophobicContact CD1-CE1 4.12Å; L166-F181 HydrophobicContact CD1-CE2 4.04Å; L166-F181 HydrophobicContact CD1-CZ 3.89Å |
| 167 | E | 91.8 | Very high | 83.5 | Confident | 95 Ų | 95 | 67.7 Ų | 67.7 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -44.2 | -179.7 | -177.3 | -171.8 | 129.3 | 0 | 0 | 110.5 | Y21 L165 I180 R182 | Y21-E167 WeakPolarHBondContact CE1-OE1 3.42Å; Y21-E167 PolarHBondContact OH-OE1 2.84Å; L165-E167 PolarHBondContact O-N 2.96Å; E167-I180 PolarHBondContact N-O 3.14Å; E167-R182 HydrophobicContact CB-CB 4.4Å; E167-R182 WeakPolarHBondContact OE2-CB 3.34Å; E167-R182 WeakPolarHBondContact OE2-CD 3.37Å; E167-R182 IonicContact OE2-NE 3.81Å |
| 168 | R | 91.1 | Very high | 83.6 | Confident | 107 Ų | 107 | 64.6 Ų | 64.6 | 40% | 0.404 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 149 | -172.5 | -173.2 | 174.3 | 176.5 | -156 | -3.4 | 111.8 | V170 I180 | R168-V170 HydrophobicContact CG-CG2 4.01Å; R168-I180 HydrophobicContact CB-CB 4.44Å; R168-I180 HydrophobicContact CB-CD1 4.13Å; R168-I180 HydrophobicContact CG-CD1 4.4Å; R168-I180 PolarHBondContact N-O 3.4Å; R168-I180 WeakPolarHBondContact O-CD1 3.41Å; R168-I180 PolarHBondContact O-N 3Å |
| 169 | M | 89.8 | Confident | 84 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 36% | 0.36 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131 | 167.3 | 176.8 | 173 | 26.3 | 0 | 0 | 108.8 | T152 K177 C178 L179 | T152-M169 HydrophobicContact CG2-CE 4.32Å; T152-M169 HydrophobicContact CG2-SD 3.79Å; M169-K177 HydrophobicContact CG-CB 4.47Å; M169-K177 HydrophobicContact CG-CD 4.09Å; M169-K177 HydrophobicContact SD-CD 3.98Å; M169-K177 HydrophobicContact SD-CG 4.31Å; M169-C178 CarbonylContact C-O 3.25Å; M169-C178 WeakPolarHBondContact CA-O 3.04Å; M169-L179 HydrophobicContact CG-CD1 4.23Å; M169-L179 HydrophobicContact CG-CG 4.48Å; M169-L179 HydrophobicContact SD-CD1 4.48Å |
| 170 | V | 87.9 | Confident | 84.3 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.7 | -177.7 | -170.4 | 0 | 0 | 0 | 0 | 109.6 | V17 R168 M172 K177 C178 I180 | V17-V170 HydrophobicContact CG2-CB 4.4Å; V17-V170 HydrophobicContact CG2-CG1 4.13Å; V17-V170 HydrophobicContact CG2-CG2 4.46Å; R168-V170 HydrophobicContact CG-CG2 4.01Å; V170-M172 HydrophobicContact CB-CE 3.8Å; V170-M172 HydrophobicContact CG1-CE 3.34Å; V170-K177 WeakPolarHBondContact O-CA 3.06Å; V170-C178 HydrophobicContact CB-CB 4.32Å; V170-C178 PolarHBondContact N-O 2.98Å; V170-C178 PolarHBondContact O-N 3.08Å; V170-I180 HydrophobicContact CG2-CD1 3.66Å |
| 171 | D | 83.1 | Confident | 84.5 | Confident | 118 Ų | 118 | 60.8 Ų | 60.8 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 128 | 172.7 | -77.1 | -56 | 0 | 0 | 0 | 111.6 | K177 | D171-K177 VanDerWaalsContact OD1-CE 3.32Å; D171-K177 WeakPolarHBondContact OD1-CE 3.39Å; D171-K177 IonicContact OD1-NZ 3.86Å; D171-K177 PolarHBondContact OD1-NZ 3.36Å; D171-K177 IonicContact OD2-NZ 3.5Å |
| 172 | M | 80.2 | Confident | 84.8 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 157.1 | 178.1 | -65 | -71.8 | 119.1 | 0 | 0 | 110.2 | P13 I14 V17 V170 N176 C178 | P13-M172 HydrophobicContact CB-SD 3.78Å; I14-M172 HydrophobicContact CG1-SD 4.39Å; V17-M172 HydrophobicContact CG2-CE 3.43Å; V17-M172 VanDerWaalsContact CG2-CE 3.43Å; V170-M172 HydrophobicContact CB-CE 3.8Å; V170-M172 HydrophobicContact CG1-CE 3.34Å; M172-N176 WeakPolarHBondContact CA-O 3.38Å; M172-N176 HydrophobicContact CB-CB 3.59Å; M172-N176 WeakPolarHBondContact CB-O 3.44Å; M172-N176 PolarHBondContact N-O 3.26Å; M172-N176 PolarHBondContact O-N 3.4Å; M172-C178 HydrophobicContact CE-CB 4.02Å; M172-C178 HydrophobicContact CG-CB 3.91Å; M172-C178 HydrophobicContact SD-CB 4.29Å |
| 173 | P | 74.6 | Confident | 84.9 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -54.3 | 153.9 | 177 | -28.3 | 37.3 | 0 | 0 | 0 | 113.5 | P13 N175 N176 | P13-P173 HydrophobicContact CB-CG 4.21Å; P13-P173 HydrophobicContact CG-CG 3.67Å; P173-N175 VanDerWaalsContact C-N 3.31Å; P173-N175 PolarHBondContact O-N 3.36Å; P173-N176 WeakPolarHBondContact O-CB 3.5Å; P173-N176 PolarHBondContact O-N 3.38Å; P173-N176 PolarHBondContact O-ND2 2.92Å |
| 174 | A | 68.9 | Low | 83.9 | Confident | 58 Ų | 58 | 68.5 Ų | 68.5 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | 58.3 | 38.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N176 | A174-N176 PolarHBondContact O-N 3.36Š|
| 175 | N | 66.7 | Low | 83.6 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | 58.7 | 28.9 | 179.4 | -52.8 | -48.3 | 0 | 0 | 0 | 114 | P130 P173 | P130-N175 WeakPolarHBondContact CD-ND2 3.35Å; P130-N175 WeakPolarHBondContact CG-ND2 3.37Å; P173-N175 VanDerWaalsContact C-N 3.31Å; P173-N175 PolarHBondContact O-N 3.36Å |
| 176 | N | 74.3 | Confident | 83.1 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 160.6 | 170.7 | -68.5 | -52 | 0 | 0 | 0 | 109.7 | N10 M172 P173 A174 | N10-N176 PolarHBondContact ND2-ND2 2.96Å; M172-N176 WeakPolarHBondContact CA-O 3.38Å; M172-N176 HydrophobicContact CB-CB 3.59Å; M172-N176 WeakPolarHBondContact CB-O 3.44Å; M172-N176 PolarHBondContact N-O 3.26Å; M172-N176 PolarHBondContact O-N 3.4Å; P173-N176 WeakPolarHBondContact O-CB 3.5Å; P173-N176 PolarHBondContact O-N 3.38Å; P173-N176 PolarHBondContact O-ND2 2.92Å; A174-N176 PolarHBondContact O-N 3.36Å |
| 177 | K | 80.1 | Confident | 82.7 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.3 | 172.3 | -61.2 | -70.8 | -168.9 | 165.6 | 0 | 109.4 | Y122 M169 V170 D171 L179 | Y122-K177 HydrophobicContact CD2-CB 3.67Å; Y122-K177 HydrophobicContact CD2-CG 4.04Å; Y122-K177 HydrophobicContact CE2-CB 3.98Å; Y122-K177 HydrophobicContact CG-CB 4.49Å; M169-K177 HydrophobicContact CG-CB 4.47Å; M169-K177 HydrophobicContact CG-CD 4.09Å; M169-K177 HydrophobicContact SD-CD 3.98Å; M169-K177 HydrophobicContact SD-CG 4.31Å; V170-K177 WeakPolarHBondContact O-CA 3.06Å; D171-K177 VanDerWaalsContact OD1-CE 3.32Å; D171-K177 WeakPolarHBondContact OD1-CE 3.39Å; D171-K177 IonicContact OD1-NZ 3.86Å; D171-K177 PolarHBondContact OD1-NZ 3.36Å; D171-K177 IonicContact OD2-NZ 3.5Å; K177-L179 HydrophobicContact CB-CD1 3.76Å |
| 178 | C | 85.4 | Confident | 82.2 | Confident | 30 Ų | 30 | 69.2 Ų | 69.2 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.1 | 165.5 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | M169 V170 M172 | M169-C178 CarbonylContact C-O 3.25Å; M169-C178 WeakPolarHBondContact CA-O 3.04Å; V170-C178 HydrophobicContact CB-CB 4.32Å; V170-C178 PolarHBondContact N-O 2.98Å; V170-C178 PolarHBondContact O-N 3.08Å; M172-C178 HydrophobicContact CE-CB 4.02Å; M172-C178 HydrophobicContact CG-CB 3.91Å; M172-C178 HydrophobicContact SD-CB 4.29Å |
| 179 | L | 88.8 | Confident | 81.6 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 14% | 0.141 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131 | 176.8 | -78.2 | 67 | 0 | 0 | 0 | 108.4 | Y122 L166 M169 K177 F181 | Y122-L179 HydrophobicContact CD1-CD1 4.29Å; Y122-L179 HydrophobicContact CD1-CD2 4.27Å; Y122-L179 HydrophobicContact CD2-CD1 4.07Å; Y122-L179 HydrophobicContact CE1-CD1 3.57Å; Y122-L179 HydrophobicContact CE1-CD2 3.31Å; Y122-L179 HydrophobicContact CE1-CG 4.05Å; Y122-L179 HydrophobicContact CE2-CD1 3.43Å; Y122-L179 VanDerWaalsContact CE2-CD1 3.43Å; Y122-L179 HydrophobicContact CG-CD1 4.49Å; Y122-L179 VanDerWaalsContact OH-CD1 3.31Å; Y122-L179 WeakPolarHBondContact OH-CD1 3.33Å; L166-L179 HydrophobicContact CD1-CB 3.92Å; L166-L179 HydrophobicContact CD1-CD2 4.07Å; L166-L179 HydrophobicContact CD1-CG 4.03Å; M169-L179 HydrophobicContact CG-CD1 4.23Å; M169-L179 HydrophobicContact CG-CG 4.48Å; M169-L179 HydrophobicContact SD-CD1 4.48Å; K177-L179 HydrophobicContact CB-CD1 3.76Å; L179-F181 HydrophobicContact CB-CD2 4.26Å; L179-F181 HydrophobicContact CB-CE2 3.7Å; L179-F181 HydrophobicContact CD2-CE2 4Å; L179-F181 HydrophobicContact CD2-CZ 4.14Å |
| 180 | I | 91.3 | Very high | 81.1 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 11% | 0.108 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.9 | 179.7 | -58.2 | 88.8 | 0 | 0 | 0 | 107.9 | V17 Y21 E167 R168 V170 | V17-I180 HydrophobicContact CG1-CD1 4.18Å; V17-I180 HydrophobicContact CG1-CG1 4.32Å; Y21-I180 HydrophobicContact CE1-CG2 3.86Å; Y21-I180 HydrophobicContact CE2-CG1 3.95Å; Y21-I180 HydrophobicContact CE2-CG2 4.13Å; E167-I180 PolarHBondContact N-O 3.14Å; R168-I180 HydrophobicContact CB-CB 4.44Å; R168-I180 HydrophobicContact CB-CD1 4.13Å; R168-I180 HydrophobicContact CG-CD1 4.4Å; R168-I180 PolarHBondContact N-O 3.4Å; R168-I180 WeakPolarHBondContact O-CD1 3.41Å; R168-I180 PolarHBondContact O-N 3Å; V170-I180 HydrophobicContact CG2-CD1 3.66Å |
| 181 | F | 90.7 | Very high | 80.6 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.7 | 174 | -69.9 | -92.5 | 0 | 0 | 0 | 109.6 | L155 L164 L165 L166 L179 | L155-F181 HydrophobicContact CB-CZ 4.3Å; L155-F181 WeakPolarHBondContact O-CE1 3.49Å; L155-F181 WeakPolarHBondContact O-CZ 3.34Å; L164-F181 HydrophobicContact CB-CB 4.23Å; L164-F181 HydrophobicContact CB-CD1 4.26Å; L164-F181 HydrophobicContact CD1-CB 4.42Å; L165-F181 CarbonylContact O-C 3.58Å; L165-F181 VanDerWaalsContact O-CA 3.27Å; L165-F181 WeakPolarHBondContact O-CA 3.11Å; L166-F181 HydrophobicContact CB-CD1 4.16Å; L166-F181 HydrophobicContact CB-CE1 3.84Å; L166-F181 HydrophobicContact CB-CZ 4.39Å; L166-F181 HydrophobicContact CD1-CD1 4.47Å; L166-F181 HydrophobicContact CD1-CD2 4.39Å; L166-F181 HydrophobicContact CD1-CE1 4.12Å; L166-F181 HydrophobicContact CD1-CE2 4.04Å; L166-F181 HydrophobicContact CD1-CZ 3.89Å; L179-F181 HydrophobicContact CB-CD2 4.26Å; L179-F181 HydrophobicContact CB-CE2 3.7Å; L179-F181 HydrophobicContact CD2-CE2 4Å; L179-F181 HydrophobicContact CD2-CZ 4.14Å |
| 182 | R | 91.6 | Very high | 80.4 | Confident | 125 Ų | 125 | 65.8 Ų | 65.8 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.3 | 176.1 | -167.1 | 178.8 | 62.6 | 81.5 | 1 | 109.8 | L164 L165 E167 | L164-R182 WeakPolarHBondContact CA-O 3.33Å; L165-R182 PolarHBondContact N-O 2.84Å; L165-R182 PolarHBondContact O-N 3.4Å; E167-R182 HydrophobicContact CB-CB 4.4Å; E167-R182 WeakPolarHBondContact OE2-CB 3.34Å; E167-R182 WeakPolarHBondContact OE2-CD 3.37Å; E167-R182 IonicContact OE2-NE 3.81Å |
| 183 | K | 85.9 | Confident | 80.5 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 135.7 | 169.2 | -166.5 | -179 | 176.2 | -171 | 0 | 109.4 | Q100 L164 | Q100-K183 VanDerWaalsContact CD-NZ 3.35Å; L164-K183 HydrophobicContact CD2-CB 3.91Å; L164-K183 HydrophobicContact CD2-CG 4.31Å |
| 184 | N | 67.3 | Low | 81 | Confident | 145 Ų | 145 | 70.3 Ų | 70.3 | 78% | 0.775 | 36% | 0.355 | S | S | * | . | trans | -69.6 | 0 | 171.7 | -80.7 | -23 | 0 | 0 | 0 | 112.4 | L165 | L165-N184 WeakPolarHBondContact CD1-ND2 3.46Å; L165-N184 WeakPolarHBondContact CD1-OD1 3.5Å |
Retrieved 184 of 184 residues in 102.8 ms
(Link to these results)