| 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 | 89.1 | Confident | 86.7 | Confident | 163 Ų | 163 | 88.3 Ų | 88.3 | 80% | 0.803 | 40% | 0.404 | S | S | * | . | 0 | -63.8 | 0 | -170.9 | 177.6 | -177.3 | 0 | 0 | 111.1 | Y4 L5 L19 | M1-Y4 WeakPolarHBondContact O-CB 3.47Å; M1-Y4 PolarHBondContact O-N 3.33Å; M1-L5 HydrophobicContact CE-CD1 3.83Å; M1-L5 HydrophobicContact CG-CD1 3.97Å; M1-L5 PolarHBondContact O-N 3.42Å; M1-L19 HydrophobicContact CE-CD1 4.15Å | |||
| 2 | R | 90.2 | Very high | 86.2 | Confident | 74 Ų | 74 | 89.5 Ų | 89.5 | 28% | 0.279 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -53.2 | -59.1 | -179.8 | -176.6 | 173.5 | -58.2 | -74.3 | -4 | 113.1 | Y4 L5 D6 L19 P20 H21 | R2-Y4 PolarHBondContact O-N 3.12Å; R2-Y4 VanDerWaalsContact O-N 3.15Å; R2-L5 PolarHBondContact O-N 3.41Å; R2-D6 VanDerWaalsContact CG-OD2 3.29Å; R2-D6 WeakPolarHBondContact CG-OD2 3.42Å; R2-D6 PolarHBondContact O-N 3.36Å; R2-L19 HydrophobicContact CB-CD2 3.83Å; R2-L19 HydrophobicContact CG-CD2 4.24Å; R2-L19 PolarHBondContact NH1-O 3.47Å; R2-L19 VanDerWaalsContact NH1-O 3.09Å; R2-P20 PolarHBondContact NH1-O 2.99Å; R2-P20 PolarHBondContact NH2-O 3.18Å; R2-H21 PolarHBondContact NH1-CE1 2.83Å; R2-H21 VanDerWaalsContact NH1-CE1 3.35Å; R2-H21 PolarHBondContact NH1-NE2 3.47Å |
| 3 | E | 90.7 | Very high | 85.9 | Confident | 167 Ų | 167 | 87.5 Ų | 87.5 | 78% | 0.78 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -50.5 | -43.3 | 178.3 | -67.2 | 168.5 | -178.8 | 0 | 0 | 112.7 | D6 E7 | E3-D6 PolarHBondContact O-N 3.48Å; E3-E7 WeakPolarHBondContact O-CB 3.49Å; E3-E7 PolarHBondContact O-N 3.32Å |
| 4 | Y | 87.8 | Confident | 85.7 | Confident | 97 Ų | 97 | 87.9 Ų | 87.9 | 38% | 0.38 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 178.2 | 179.1 | -91.5 | 0 | 0 | 0 | 112.8 | M1 R2 R8 E64 D66 | M1-Y4 WeakPolarHBondContact O-CB 3.47Å; M1-Y4 PolarHBondContact O-N 3.33Å; R2-Y4 PolarHBondContact O-N 3.12Å; R2-Y4 VanDerWaalsContact O-N 3.15Å; Y4-R8 WeakPolarHBondContact O-CB 3.42Å; Y4-R8 PolarHBondContact O-N 2.99Å; Y4-E64 WeakPolarHBondContact CE1-O 3.43Å; Y4-D66 WeakPolarHBondContact OH-CB 3.31Å; Y4-D66 PolarHBondContact OH-OD2 3.4Å |
| 5 | L | 87.5 | Confident | 85.3 | Confident | 14 Ų | 14 | 90.7 Ų | 90.7 | 7% | 0.073 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -71.3 | -33.4 | 179 | -69 | 176.4 | 0 | 0 | 0 | 112.5 | M1 R2 A9 L19 | M1-L5 HydrophobicContact CE-CD1 3.83Å; M1-L5 HydrophobicContact CG-CD1 3.97Å; M1-L5 PolarHBondContact O-N 3.42Å; R2-L5 PolarHBondContact O-N 3.41Å; L5-A9 WeakPolarHBondContact O-CB 3.5Å; L5-A9 PolarHBondContact O-N 3.13Å; L5-L19 HydrophobicContact CD1-CB 4.08Å; L5-L19 HydrophobicContact CD1-CD1 4.39Å; L5-L19 HydrophobicContact CD1-CD2 4.37Å |
| 6 | D | 88.4 | Confident | 85 | Confident | 56 Ų | 56 | 95.9 Ų | 95.9 | 30% | 0.299 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 175.8 | -65.2 | -10.5 | 0 | 0 | 0 | 110.4 | R2 E3 A9 R10 S17 | R2-D6 VanDerWaalsContact CG-OD2 3.29Å; R2-D6 WeakPolarHBondContact CG-OD2 3.42Å; R2-D6 PolarHBondContact O-N 3.36Å; E3-D6 PolarHBondContact O-N 3.48Å; D6-A9 PolarHBondContact O-N 3.4Å; D6-R10 PolarHBondContact O-N 3.42Å; D6-S17 WeakPolarHBondContact OD1-CB 3.42Å; D6-S17 PolarHBondContact OD1-OG 3.39Å |
| 7 | E | 86 | Confident | 84.7 | Confident | 86 Ų | 86 | 92.4 Ų | 92.4 | 40% | 0.402 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.5 | 177.7 | 56.1 | -163.9 | 0 | 0 | 111.6 | E3 A9 R10 V11 | E3-E7 WeakPolarHBondContact O-CB 3.49Å; E3-E7 PolarHBondContact O-N 3.32Å; E7-A9 PolarHBondContact O-N 2.99Å; E7-R10 WeakPolarHBondContact O-CB 3.27Å; E7-R10 PolarHBondContact O-N 3.2Å; E7-R10 IonicContact OE1-CZ 3.66Å; E7-R10 IonicContact OE1-NE 2.7Å; E7-R10 IonicContact OE1-NH2 2.8Å; E7-R10 PolarHBondContact OE1-NH2 2.96Å; E7-R10 IonicContact OE2-CZ 3.66Å; E7-R10 IonicContact OE2-NE 3.36Å; E7-R10 PolarHBondContact OE2-NE 3.46Å; E7-R10 IonicContact OE2-NH2 2.67Å; E7-R10 PolarHBondContact OE2-NH2 3.01Å; E7-V11 WeakPolarHBondContact O-CG2 3.32Å; E7-V11 PolarHBondContact O-N 3.31Å |
| 8 | R | 81.9 | Confident | 84.5 | Confident | 44 Ų | 44 | 91.9 Ų | 91.9 | 17% | 0.166 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 173.8 | -177.1 | 178.2 | 170.2 | 150.4 | -3.1 | 111.6 | Y4 R10 V11 F12 A62 P63 E64 | Y4-R8 WeakPolarHBondContact O-CB 3.42Å; Y4-R8 PolarHBondContact O-N 2.99Å; R8-R10 VanDerWaalsContact C-N 3.26Å; R8-R10 PolarHBondContact O-N 3.47Å; R8-V11 PolarHBondContact O-N 2.97Å; R8-F12 HydrophobicContact CG-CD2 3.62Å; R8-F12 HydrophobicContact CG-CE2 3.83Å; R8-F12 VanDerWaalsContact O-CD2 3.29Å; R8-F12 WeakPolarHBondContact O-CD2 3.41Å; R8-F12 PolarHBondContact O-N 3.43Å; R8-A62 PolarHBondContact NH2-O 3.12Å; R8-P63 PolarHBondContact NH1-O 3.08Å; R8-E64 VanDerWaalsContact NH1-C 3.29Å; R8-E64 PolarHBondContact NH1-O 2.9Å; R8-E64 VanDerWaalsContact NH1-O 3.1Å |
| 9 | A | 83.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 89.2 Ų | 89.2 | 4% | 0.041 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L5 D6 E7 G13 L14 | L5-A9 WeakPolarHBondContact O-CB 3.5Å; L5-A9 PolarHBondContact O-N 3.13Å; D6-A9 PolarHBondContact O-N 3.4Å; E7-A9 PolarHBondContact O-N 2.99Å; A9-G13 PolarHBondContact O-N 3.21Å; A9-G13 VanDerWaalsContact O-N 3.11Å; A9-L14 HydrophobicContact CB-CB 4.06Å; A9-L14 HydrophobicContact CB-CD1 4.4Å; A9-L14 PolarHBondContact O-N 3.45Å |
| 10 | R | 85.7 | Confident | 85.1 | Confident | 171 Ų | 171 | 89.8 Ų | 89.8 | 65% | 0.645 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.7 | -48 | 174.9 | -169.2 | -173.7 | 73.4 | 86.2 | 0.4 | 112.4 | D6 E7 R8 G13 | D6-R10 PolarHBondContact O-N 3.42Å; E7-R10 WeakPolarHBondContact O-CB 3.27Å; E7-R10 PolarHBondContact O-N 3.2Å; E7-R10 IonicContact OE1-CZ 3.66Å; E7-R10 IonicContact OE1-NE 2.7Å; E7-R10 IonicContact OE1-NH2 2.8Å; E7-R10 PolarHBondContact OE1-NH2 2.96Å; E7-R10 IonicContact OE2-CZ 3.66Å; E7-R10 IonicContact OE2-NE 3.36Å; E7-R10 PolarHBondContact OE2-NE 3.46Å; E7-R10 IonicContact OE2-NH2 2.67Å; E7-R10 PolarHBondContact OE2-NH2 3.01Å; R8-R10 VanDerWaalsContact C-N 3.26Å; R8-R10 PolarHBondContact O-N 3.47Å; R10-G13 PolarHBondContact O-N 3.04Å |
| 11 | V | 82.8 | Confident | 85.5 | Confident | 94 Ų | 94 | 91.4 Ų | 91.4 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.6 | -40.3 | -179.3 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | E7 R8 G13 | E7-V11 WeakPolarHBondContact O-CG2 3.32Å; E7-V11 PolarHBondContact O-N 3.31Å; R8-V11 PolarHBondContact O-N 2.97Å; V11-G13 VanDerWaalsContact C-N 3.32Å |
| 12 | F | 80 | Confident | 85.8 | Confident | 103 Ų | 103 | 88.9 Ų | 88.9 | 45% | 0.452 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 4 | -179.3 | -75 | -82.5 | 0 | 0 | 0 | 113.9 | R8 L14 L57 | R8-F12 HydrophobicContact CG-CD2 3.62Å; R8-F12 HydrophobicContact CG-CE2 3.83Å; R8-F12 VanDerWaalsContact O-CD2 3.29Å; R8-F12 WeakPolarHBondContact O-CD2 3.41Å; R8-F12 PolarHBondContact O-N 3.43Å; F12-L14 VanDerWaalsContact C-N 3.25Å; F12-L14 HydrophobicContact CB-CG 4.25Å; F12-L14 PolarHBondContact O-N 3.06Å; F12-L57 HydrophobicContact CE1-CD2 4.09Å; F12-L57 HydrophobicContact CZ-CD2 4.19Å |
| 13 | G | 83.1 | Confident | 86.1 | Confident | 64 Ų | 64 | 88.9 Ų | 88.9 | 66% | 0.66 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 26.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | A9 R10 V11 | A9-G13 PolarHBondContact O-N 3.21Å; A9-G13 VanDerWaalsContact O-N 3.11Å; R10-G13 PolarHBondContact O-N 3.04Å; V11-G13 VanDerWaalsContact C-N 3.32Å |
| 14 | L | 82 | Confident | 86.4 | Confident | 92 Ų | 92 | 85.4 Ų | 85.4 | 48% | 0.482 | 45% | 0.454 | S | S | . | . | trans | -71.5 | 138.2 | 176.8 | -63.1 | 179 | 0 | 0 | 0 | 109.8 | A9 F12 K16 | A9-L14 HydrophobicContact CB-CB 4.06Å; A9-L14 HydrophobicContact CB-CD1 4.4Å; A9-L14 PolarHBondContact O-N 3.45Å; F12-L14 VanDerWaalsContact C-N 3.25Å; F12-L14 HydrophobicContact CB-CG 4.25Å; F12-L14 PolarHBondContact O-N 3.06Å; L14-K16 PolarHBondContact O-N 3.17Å | ||
| 15 | P | 80.6 | Confident | 86.8 | Confident | 130 Ų | 130 | 84.8 Ų | 84.8 | 84% | 0.844 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -66.1 | -24.8 | -172.7 | 24.5 | -33.9 | 0 | 0 | 0 | 113.6 | ||
| 16 | K | 79.8 | Confident | 87.3 | Confident | 175 Ų | 175 | 87.9 Ų | 87.9 | 76% | 0.761 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -149.1 | 156.1 | 176.3 | -66.5 | -171.6 | 179.6 | 178.9 | 0 | 110.6 | L14 | L14-K16 PolarHBondContact O-N 3.17Š|
| 17 | S | 80.2 | Confident | 87.6 | Confident | 36 Ų | 36 | 92.1 Ų | 92.1 | 25% | 0.252 | 49% | 0.486 | S | S | . | . | trans | -61.5 | 136.8 | 167.1 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | D6 L19 | D6-S17 WeakPolarHBondContact OD1-CB 3.42Å; D6-S17 PolarHBondContact OD1-OG 3.39Å; S17-L19 PolarHBondContact O-N 3.36Å; S17-L19 PolarHBondContact OG-N 2.84Å | ||
| 18 | P | 81.8 | Confident | 88.1 | Confident | 84 Ų | 84 | 94.6 Ų | 94.6 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -70.8 | -13.1 | 178 | 29.8 | -35.3 | 0 | 0 | 0 | 112.9 | P20 | P18-P20 WeakPolarHBondContact O-CD 3.48Š|
| 19 | L | 89.8 | Confident | 88.8 | Confident | 39 Ų | 39 | 99.2 Ų | 99.2 | 20% | 0.204 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -92.4 | 114.7 | -174 | -167.2 | 70.9 | 0 | 0 | 0 | 111.4 | M1 R2 L5 S17 | M1-L19 HydrophobicContact CE-CD1 4.15Å; R2-L19 HydrophobicContact CB-CD2 3.83Å; R2-L19 HydrophobicContact CG-CD2 4.24Å; R2-L19 PolarHBondContact NH1-O 3.47Å; R2-L19 VanDerWaalsContact NH1-O 3.09Å; L5-L19 HydrophobicContact CD1-CB 4.08Å; L5-L19 HydrophobicContact CD1-CD1 4.39Å; L5-L19 HydrophobicContact CD1-CD2 4.37Å; S17-L19 PolarHBondContact O-N 3.36Å; S17-L19 PolarHBondContact OG-N 2.84Å |
| 20 | P | 91.3 | Very high | 89.2 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 66% | 0.656 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 157.7 | 178.8 | 26.1 | -34.6 | 0 | 0 | 0 | 111.9 | R2 P18 | R2-P20 PolarHBondContact NH1-O 2.99Å; R2-P20 PolarHBondContact NH2-O 3.18Å; P18-P20 WeakPolarHBondContact O-CD 3.48Å |
| 21 | H | 92.3 | Very high | 89.5 | Confident | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -100.1 | 135.2 | 174.5 | -72.2 | -97.4 | 0 | 0 | 0 | 110 | R2 | R2-H21 PolarHBondContact NH1-CE1 2.83Å; R2-H21 VanDerWaalsContact NH1-CE1 3.35Å; R2-H21 PolarHBondContact NH1-NE2 3.47Å |
| 22 | F | 95.1 | Very high | 89.8 | Confident | 109 Ų | 109 | 101.2 Ų | 101.2 | 48% | 0.478 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 131.2 | 165.3 | -65.5 | -65.5 | 0 | 0 | 0 | 109.7 | E26 R27 L30 | F22-E26 WeakPolarHBondContact CA-OE2 3.28Å; F22-E26 HydrophobicContact CB-CB 4.27Å; F22-E26 HydrophobicContact CD1-CB 4.07Å; F22-R27 HydrophobicContact CB-CG 3.58Å; F22-R27 PolarHBondContact O-NE 2.84Å; F22-R27 PolarHBondContact O-NH2 3.31Å; F22-L30 HydrophobicContact CD1-CD1 4.07Å; F22-L30 HydrophobicContact CE1-CD1 3.71Å; F22-L30 HydrophobicContact CZ-CD1 3.98Å |
| 23 | T | 96.8 | Very high | 90.4 | Very high | 75 Ų | 75 | 99.7 Ų | 99.7 | 46% | 0.46 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 164.4 | 164.1 | 64.3 | 0 | 0 | 0 | 0 | 110.6 | T25 E26 R27 | T23-T25 VanDerWaalsContact C-N 3.28Å; T23-T25 PolarHBondContact O-N 3.05Å; T23-E26 WeakPolarHBondContact CB-OE2 3.49Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.45Å; T23-E26 PolarHBondContact N-OE2 3.19Å; T23-E26 PolarHBondContact O-N 3.03Å; T23-E26 WeakPolarHBondContact OG1-CB 3.49Å; T23-E26 VanDerWaalsContact OG1-CD 3.24Å; T23-E26 WeakPolarHBondContact OG1-CG 3.45Å; T23-E26 PolarHBondContact OG1-N 2.83Å; T23-E26 PolarHBondContact OG1-OE2 3.42Å; T23-R27 WeakPolarHBondContact O-CG 3.42Å; T23-R27 PolarHBondContact O-N 3.1Å; T23-R27 VanDerWaalsContact O-N 3.11Å |
| 24 | T | 96.9 | Very high | 90.8 | Very high | 94 Ų | 94 | 101.6 Ų | 101.6 | 58% | 0.577 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.7 | -40.7 | 177.6 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | R27 Q28 | T24-R27 PolarHBondContact O-N 3.23Å; T24-Q28 WeakPolarHBondContact O-CG 3.37Å; T24-Q28 PolarHBondContact O-N 2.86Å; T24-Q28 VanDerWaalsContact O-N 3.1Å |
| 25 | T | 97.1 | Very high | 91.4 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -49.8 | 178.2 | -49.1 | 0 | 0 | 0 | 0 | 111.5 | T23 R27 Q28 E29 | T23-T25 VanDerWaalsContact C-N 3.28Å; T23-T25 PolarHBondContact O-N 3.05Å; T25-R27 VanDerWaalsContact C-N 3.28Å; T25-R27 PolarHBondContact O-N 3.5Å; T25-Q28 WeakPolarHBondContact O-CB 3.49Å; T25-Q28 PolarHBondContact O-N 3.43Å; T25-E29 WeakPolarHBondContact O-CG 3.38Å; T25-E29 PolarHBondContact O-N 3.39Å |
| 26 | E | 97.4 | Very high | 92.2 | Very high | 79 Ų | 79 | 100.4 Ų | 100.4 | 37% | 0.369 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 178.5 | -70.3 | 162.7 | 148 | 0 | 0 | 112.1 | F22 T23 Q28 E29 L30 | F22-E26 WeakPolarHBondContact CA-OE2 3.28Å; F22-E26 HydrophobicContact CB-CB 4.27Å; F22-E26 HydrophobicContact CD1-CB 4.07Å; T23-E26 WeakPolarHBondContact CB-OE2 3.49Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.45Å; T23-E26 PolarHBondContact N-OE2 3.19Å; T23-E26 PolarHBondContact O-N 3.03Å; T23-E26 WeakPolarHBondContact OG1-CB 3.49Å; T23-E26 VanDerWaalsContact OG1-CD 3.24Å; T23-E26 WeakPolarHBondContact OG1-CG 3.45Å; T23-E26 PolarHBondContact OG1-N 2.83Å; T23-E26 PolarHBondContact OG1-OE2 3.42Å; E26-Q28 VanDerWaalsContact C-N 3.33Å; E26-Q28 PolarHBondContact O-N 2.9Å; E26-E29 PolarHBondContact O-N 3.25Å; E26-L30 WeakPolarHBondContact O-CB 3.45Å; E26-L30 VanDerWaalsContact O-CG 3.27Å; E26-L30 WeakPolarHBondContact O-CG 3.44Å; E26-L30 PolarHBondContact O-N 3.45Å |
| 27 | R | 95.9 | Very high | 93.1 | Very high | 146 Ų | 146 | 93.2 Ų | 93.2 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -40.5 | 175.3 | -69.6 | -180 | -143.7 | 169.4 | 5.7 | 111.9 | F22 T23 T24 T25 N31 | F22-R27 HydrophobicContact CB-CG 3.58Å; F22-R27 PolarHBondContact O-NE 2.84Å; F22-R27 PolarHBondContact O-NH2 3.31Å; T23-R27 WeakPolarHBondContact O-CG 3.42Å; T23-R27 PolarHBondContact O-N 3.1Å; T23-R27 VanDerWaalsContact O-N 3.11Å; T24-R27 PolarHBondContact O-N 3.23Å; T25-R27 VanDerWaalsContact C-N 3.28Å; T25-R27 PolarHBondContact O-N 3.5Å; R27-N31 VanDerWaalsContact O-CB 3.27Å; R27-N31 WeakPolarHBondContact O-CB 3.2Å; R27-N31 PolarHBondContact O-N 2.86Å |
| 28 | Q | 95.9 | Very high | 93.9 | Very high | 138 Ų | 138 | 94.4 Ų | 94.4 | 65% | 0.645 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 178.1 | -72.8 | 173.2 | -12.3 | 0 | 0 | 111.2 | T24 T25 E26 | T24-Q28 WeakPolarHBondContact O-CG 3.37Å; T24-Q28 PolarHBondContact O-N 2.86Å; T24-Q28 VanDerWaalsContact O-N 3.1Å; T25-Q28 WeakPolarHBondContact O-CB 3.49Å; T25-Q28 PolarHBondContact O-N 3.43Å; E26-Q28 VanDerWaalsContact C-N 3.33Å; E26-Q28 PolarHBondContact O-N 2.9Å |
| 29 | E | 95.5 | Very high | 94.7 | Very high | 140 Ų | 140 | 91.5 Ų | 91.5 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -39.6 | 177.3 | -71.9 | 178.4 | 175.2 | 0 | 0 | 112.8 | T25 E26 | T25-E29 WeakPolarHBondContact O-CG 3.38Å; T25-E29 PolarHBondContact O-N 3.39Å; E26-E29 PolarHBondContact O-N 3.25Å |
| 30 | L | 94.3 | Very high | 95.1 | Very high | 102 Ų | 102 | 94.5 Ų | 94.5 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -80.4 | -26.1 | -178.4 | -67.5 | 172.4 | 0 | 0 | 0 | 113.4 | F22 E26 G32 A33 | F22-L30 HydrophobicContact CD1-CD1 4.07Å; F22-L30 HydrophobicContact CE1-CD1 3.71Å; F22-L30 HydrophobicContact CZ-CD1 3.98Å; E26-L30 WeakPolarHBondContact O-CB 3.45Å; E26-L30 VanDerWaalsContact O-CG 3.27Å; E26-L30 WeakPolarHBondContact O-CG 3.44Å; E26-L30 PolarHBondContact O-N 3.45Å; L30-G32 PolarHBondContact O-N 3.48Å; L30-A33 WeakPolarHBondContact O-CB 3.36Å; L30-A33 PolarHBondContact O-N 2.92Å |
| 31 | N | 91.4 | Very high | 95.5 | Very high | 141 Ų | 141 | 90.2 Ų | 90.2 | 75% | 0.754 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 121.3 | -176.2 | -170.6 | 17.2 | 0 | 0 | 0 | 110.9 | R27 A33 | R27-N31 VanDerWaalsContact O-CB 3.27Å; R27-N31 WeakPolarHBondContact O-CB 3.2Å; R27-N31 PolarHBondContact O-N 2.86Å; N31-A33 VanDerWaalsContact C-N 3.31Å |
| 32 | G | 89.1 | Confident | 95.7 | Very high | 70 Ų | 70 | 87 Ų | 87 | 72% | 0.722 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 7.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L30 L34 | L30-G32 PolarHBondContact O-N 3.48Å; G32-L34 PolarHBondContact O-N 3.44Å |
| 33 | A | 92.6 | Very high | 95.8 | Very high | 70 Ų | 70 | 83.4 Ų | 83.4 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | trans | -72.1 | 7.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L30 N31 | L30-A33 WeakPolarHBondContact O-CB 3.36Å; L30-A33 PolarHBondContact O-N 2.92Å; N31-A33 VanDerWaalsContact C-N 3.31Å | ||
| 34 | L | 91.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 81.2 Ų | 81.2 | 55% | 0.55 | 46% | 0.455 | S | S | . | . | trans | -107.2 | 123.1 | -176.9 | -65.5 | 173.4 | 0 | 0 | 0 | 111 | G32 L104 | G32-L34 PolarHBondContact O-N 3.44Å; L34-L104 WeakPolarHBondContact O-CD2 3.44Å | ||
| 35 | S | 94.7 | Very high | 95.8 | Very high | 102 Ų | 102 | 82.6 Ų | 82.6 | 71% | 0.713 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -85.5 | -25.3 | 169.7 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | P105 | S35-P105 WeakPolarHBondContact O-CD 3.44Š|
| 36 | F | 96.9 | Very high | 95.7 | Very high | 95 Ų | 95 | 81.3 Ų | 81.3 | 42% | 0.417 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -163.3 | 170.4 | 177.5 | 66.2 | -84.9 | 0 | 0 | 0 | 110.2 | A38 P105 I107 | F36-A38 HydrophobicContact CE2-CB 4.09Å; F36-P105 CarbonylContact C-O 3.53Å; F36-P105 WeakPolarHBondContact CA-O 3.49Å; F36-P105 HydrophobicContact CB-CB 3.84Å; F36-P105 HydrophobicContact CB-CG 4.33Å; F36-P105 WeakPolarHBondContact CB-O 3.46Å; F36-I107 HydrophobicContact CD2-CB 4.45Å; F36-I107 HydrophobicContact CD2-CD1 3.87Å; F36-I107 HydrophobicContact CD2-CG1 4.21Å; F36-I107 HydrophobicContact CE2-CD1 4.07Å; F36-I107 HydrophobicContact CG-CD1 4.37Å |
| 37 | I | 97.8 | Very high | 95.5 | Very high | 24 Ų | 24 | 82.3 Ų | 82.3 | 12% | 0.123 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.7 | 176.4 | -57.2 | 173.5 | 0 | 0 | 0 | 109.2 | V96 Y100 L104 P105 I106 I107 | I37-V96 HydrophobicContact CB-CG1 4.47Å; I37-V96 HydrophobicContact CD1-CG1 3.6Å; I37-V96 HydrophobicContact CG2-CG1 3.86Å; I37-Y100 HydrophobicContact CD1-CD2 4.22Å; I37-Y100 HydrophobicContact CD1-CG 4.16Å; I37-L104 HydrophobicContact CD1-CB 4.22Å; I37-L104 HydrophobicContact CD1-CD1 4.12Å; I37-L104 HydrophobicContact CG1-CB 4.33Å; I37-L104 HydrophobicContact CG1-CD1 4.22Å; I37-P105 PolarHBondContact N-O 3.1Å; I37-I106 HydrophobicContact CB-CG1 4.37Å; I37-I106 WeakPolarHBondContact O-CA 3.4Å; I37-I107 PolarHBondContact O-N 3.48Å |
| 38 | A | 98.1 | Very high | 95.3 | Very high | 60 Ų | 60 | 77.3 Ų | 77.3 | 50% | 0.496 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 122.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | F36 I107 T109 | F36-A38 HydrophobicContact CE2-CB 4.09Å; A38-I107 WeakPolarHBondContact CA-O 3.22Å; A38-T109 HydrophobicContact CB-CG2 3.78Å |
| 39 | L | 98.1 | Very high | 95 | Very high | 24 Ų | 24 | 75.8 Ų | 75.8 | 13% | 0.126 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.7 | -178.6 | -177.1 | 67.2 | 0 | 0 | 0 | 111 | H41 M92 L93 I106 I107 V108 T109 | L39-H41 HydrophobicContact CD2-CB 4.43Å; L39-H41 HydrophobicContact CG-CB 4.36Å; L39-M92 HydrophobicContact CD1-CG 4.22Å; L39-M92 HydrophobicContact CD2-CG 3.88Å; L39-L93 HydrophobicContact CD2-CD2 3.81Å; L39-L93 HydrophobicContact CD2-CG 4.47Å; L39-I106 HydrophobicContact CB-CG2 4.46Å; L39-I107 PolarHBondContact N-O 3.22Å; L39-V108 CarbonylContact O-C 3.48Å; L39-V108 VanDerWaalsContact O-CA 3.23Å; L39-V108 WeakPolarHBondContact O-CA 3.21Å; L39-T109 PolarHBondContact O-N 3.2Å; L39-T109 PolarHBondContact O-OG1 2.89Å |
| 40 | N | 98.5 | Very high | 94.3 | Very high | 102 Ų | 102 | 70.4 Ų | 70.4 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.3 | 166.5 | -67.4 | -12.9 | 0 | 0 | 0 | 108.4 | F42 T109 A110 | N40-F42 HydrophobicContact CB-CE2 4.22Å; N40-T109 PolarHBondContact OD1-OG1 3.39Å; N40-A110 CarbonylContact C-O 3.53Å; N40-A110 WeakPolarHBondContact CA-O 3.42Å; N40-A110 HydrophobicContact CB-CB 4.16Å; N40-A110 VanDerWaalsContact OD1-CB 3.28Å; N40-A110 WeakPolarHBondContact OD1-CB 3.28Å; N40-A110 PolarHBondContact OD1-N 3.41Å; N40-A110 VanDerWaalsContact OD1-N 3.15Å |
| 41 | H | 98.5 | Very high | 93.1 | Very high | 11 Ų | 11 | 69.6 Ų | 69.6 | 5% | 0.051 | 42% | 0.417 | C | S | . | . | trans | -137.3 | 122.4 | -178.4 | 179.1 | -79.6 | 0 | 0 | 0 | 111.3 | L39 L89 A110 S111 Y131 | L39-H41 HydrophobicContact CD2-CB 4.43Å; L39-H41 HydrophobicContact CG-CB 4.36Å; H41-L89 HydrophobicContact CB-CD1 3.82Å; H41-L89 VanDerWaalsContact CE1-CA 3.46Å; H41-L89 WeakPolarHBondContact CE1-CA 3.42Å; H41-L89 PolarHBondContact CE1-N 2.93Å; H41-A110 PolarHBondContact N-O 3.43Å; H41-S111 WeakPolarHBondContact O-CA 3.38Å; H41-S111 WeakPolarHBondContact O-CB 3.48Å; H41-S111 PolarHBondContact O-OG 3.02Å; H41-Y131 AromaticContact CE1-CE1 3.75Å; H41-Y131 AromaticContact ND1-CE1 3.72Å | ||
| 42 | F | 97.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 68 Ų | 68 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | trans | -118.2 | -46.5 | -175.9 | -69.5 | -91 | 0 | 0 | 0 | 112.5 | N40 Q82 A110 G112 Y127 Y131 W152 | N40-F42 HydrophobicContact CB-CE2 4.22Å; F42-Q82 PolarHBondContact O-NE2 2.97Å; F42-Q82 VanDerWaalsContact O-NE2 3.11Å; F42-A110 HydrophobicContact CE2-CB 4.13Å; F42-A110 HydrophobicContact CZ-CB 3.82Å; F42-G112 WeakPolarHBondContact CD1-O 3.39Å; F42-Y127 PolarHBondContact O-OH 2.97Å; F42-Y131 PolarHBondContact O-OH 3.44Å; F42-W152 HydrophobicContact CE1-CB 3.89Å; F42-W152 AromaticContact CE1-CD1 3.74Å; F42-W152 AromaticContact CE1-CG 3.97Å; F42-W152 HydrophobicContact CE1-CG 3.97Å; F42-W152 HydrophobicContact CZ-CB 3.97Å; F42-W152 AromaticContact CZ-CD1 3.99Å; F42-W152 AromaticContact CZ-CG 3.94Å; F42-W152 HydrophobicContact CZ-CG 3.94Å | ||
| 43 | T | 97.6 | Very high | 90.3 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | trans | -151.7 | 175.3 | -171.7 | -168 | 0 | 0 | 0 | 0 | 111.1 | Q82 A83 | T43-Q82 HydrophobicContact CG2-CG 4.23Å; T43-A83 WeakPolarHBondContact CB-O 3.42Å; T43-A83 PolarHBondContact OG1-N 3.43Å; T43-A83 PolarHBondContact OG1-O 3.23Å | ||
| 44 | T | 97.4 | Very high | 88.4 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 17% | 0.172 | 41% | 0.405 | C | S | . | . | trans | -121.2 | 141.9 | 173.7 | -66.4 | 0 | 0 | 0 | 0 | 109.1 | W75 V85 G88 | T44-W75 HydrophobicContact CG2-CH2 4.34Å; T44-W75 HydrophobicContact CG2-CZ3 4.48Å; T44-V85 HydrophobicContact CG2-CG1 4.32Å; T44-G88 WeakPolarHBondContact OG1-CA 3.48Å | ||
| 45 | R | 95.6 | Very high | 86.4 | Confident | 124 Ų | 124 | 73.2 Ų | 73.2 | 47% | 0.468 | 40% | 0.404 | S | S | . | . | trans | -117.3 | 145.3 | 172.6 | -62.2 | -65.4 | -175.1 | 169.1 | -0.7 | 109 | S71 | R45-S71 PolarHBondContact NH1-OG 2.97Š| ||
| 46 | L | 95.5 | Very high | 84.3 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 29% | 0.288 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 149.9 | 164.6 | -61.7 | 178.8 | 0 | 0 | 0 | 108.6 | T69 F70 D72 W75 | L46-T69 CarbonylContact O-C 3.54Å; L46-T69 WeakPolarHBondContact O-CA 3.33Å; L46-F70 HydrophobicContact CB-CD1 4.24Å; L46-F70 HydrophobicContact CB-CD2 3.69Å; L46-F70 HydrophobicContact CB-CE1 3.97Å; L46-F70 HydrophobicContact CB-CE2 3.39Å; L46-F70 HydrophobicContact CB-CG 4.1Å; L46-F70 HydrophobicContact CB-CZ 3.54Å; L46-F70 HydrophobicContact CD1-CD2 3.93Å; L46-F70 HydrophobicContact CD1-CE2 3.43Å; L46-F70 VanDerWaalsContact CD1-CE2 3.43Å; L46-F70 HydrophobicContact CD1-CZ 4.21Å; L46-F70 HydrophobicContact CG-CD2 4.4Å; L46-F70 HydrophobicContact CG-CE2 4.05Å; L46-F70 PolarHBondContact N-O 3.4Å; L46-F70 PolarHBondContact O-N 2.98Å; L46-D72 HydrophobicContact CD1-CB 3.95Å; L46-W75 HydrophobicContact CD1-CH2 4.35Å; L46-W75 HydrophobicContact CD2-CH2 3.67Å; L46-W75 HydrophobicContact CD2-CZ2 4.23Å; L46-W75 HydrophobicContact CG-CH2 3.79Å; L46-W75 HydrophobicContact CG-CZ2 4.49Å; L46-W75 HydrophobicContact CG-CZ3 4.27Å |
| 47 | V | 93.7 | Very high | 82.1 | Confident | 100 Ų | 100 | 71.6 Ų | 71.6 | 61% | 0.606 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 136.8 | 179.5 | -60.6 | 0 | 0 | 0 | 0 | 109.2 | V68 T69 | V47-V68 WeakPolarHBondContact CA-O 3.41Å; V47-T69 HydrophobicContact CG1-CG2 4.16Å |
| 48 | S | 91.3 | Very high | 79.9 | Confident | 41 Ų | 41 | 78.5 Ų | 78.5 | 29% | 0.287 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.1 | 168.8 | 62.5 | 0 | 0 | 0 | 0 | 109.3 | N50 C67 V68 | S48-N50 PolarHBondContact O-N 2.87Å; S48-C67 CarbonylContact O-C 3.57Å; S48-C67 WeakPolarHBondContact O-CA 3.3Å; S48-C67 WeakPolarHBondContact O-CB 3.22Å; S48-V68 PolarHBondContact N-O 2.96Å; S48-V68 PolarHBondContact O-N 3.42Å |
| 49 | P | 88.2 | Confident | 77.7 | Confident | 107 Ų | 107 | 83.2 Ų | 83.2 | 70% | 0.695 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 142.7 | 165.6 | -23.3 | 34.2 | 0 | 0 | 0 | 110.2 | P51 | P49-P51 WeakPolarHBondContact O-CD 3.47Å |
| 50 | N | 81.5 | Confident | 75.5 | Confident | 26 Ų | 26 | 90.1 Ų | 90.1 | 14% | 0.139 | 46% | 0.463 | C | S | . | . | trans | -67.3 | 125.1 | 174.3 | 179.6 | 40.8 | 0 | 0 | 0 | 109.5 | S48 H52 D66 V68 | S48-N50 PolarHBondContact O-N 2.87Å; N50-H52 PolarHBondContact O-CD2 3.17Å; N50-H52 PolarHBondContact O-N 2.85Å; N50-D66 WeakPolarHBondContact CB-O 3.33Å; N50-D66 WeakPolarHBondContact CB-OD1 3.33Å; N50-D66 PolarHBondContact N-O 2.9Å; N50-D66 PolarHBondContact ND2-OD1 3.32Å; N50-V68 HydrophobicContact CB-CG2 4.3Å | ||
| 51 | P | 69.2 | Low | 73.6 | Confident | 86 Ų | 86 | 91 Ų | 91 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | trans | -70.5 | 99.8 | 177.6 | 27.3 | -32.2 | 0 | 0 | 0 | 109.4 | P49 T53 | P49-P51 WeakPolarHBondContact O-CD 3.47Å; P51-T53 PolarHBondContact O-N 3.42Å | ||
| 52 | H | 63.6 | Low | 71.8 | Confident | 107 Ų | 107 | 91.5 Ų | 91.5 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | trans | -62.4 | 98.6 | 171.4 | -67 | -72.6 | 0 | 0 | 0 | 109.3 | N50 D66 | N50-H52 PolarHBondContact O-CD2 3.17Å; N50-H52 PolarHBondContact O-N 2.85Å; H52-D66 IonicContact CE1-OD1 3.43Å; H52-D66 PolarHBondContact CE1-OD1 3.48Å; H52-D66 IonicContact CE1-OD2 3.12Å; H52-D66 PolarHBondContact CE1-OD2 3.29Å; H52-D66 IonicContact NE2-OD1 2.79Å; H52-D66 PolarHBondContact NE2-OD1 2.94Å; H52-D66 IonicContact NE2-OD2 3.26Å; H52-D66 PolarHBondContact NE2-OD2 3.02Å | ||
| 53 | T | 57.9 | Low | 70.2 | Confident | 78 Ų | 78 | 91.3 Ų | 91.3 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | trans | -101.1 | 142.6 | 169.5 | 32.8 | 0 | 0 | 0 | 0 | 108.8 | P51 D55 T56 | P51-T53 PolarHBondContact O-N 3.42Å; T53-D55 PolarHBondContact O-N 2.8Å; T53-T56 PolarHBondContact N-OG1 2.96Å; T53-T56 VanDerWaalsContact N-OG1 3.14Å; T53-T56 PolarHBondContact O-N 3.46Å; T53-T56 PolarHBondContact O-OG1 2.95Å; T53-T56 WeakPolarHBondContact OG1-CG2 3.43Å; T53-T56 PolarHBondContact OG1-OG1 2.96Å | ||
| 54 | Q | 52.5 | Low | 68.8 | Low | 180 Ų | 180 | 96.3 Ų | 96.3 | 84% | 0.841 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -26.7 | -177.8 | -79.1 | -164.9 | -17.9 | 0 | 0 | 113.8 | ||
| 55 | D | 49.5 | Very low | 67.7 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -21.3 | 178 | -158.9 | 17.1 | 0 | 0 | 0 | 113.6 | T53 K59 | T53-D55 PolarHBondContact O-N 2.8Å; D55-K59 IonicContact OD1-NZ 2.7Å; D55-K59 PolarHBondContact OD1-NZ 2.89Å; D55-K59 IonicContact OD2-NZ 2.79Å; D55-K59 PolarHBondContact OD2-NZ 2.74Å |
| 56 | T | 51.6 | Low | 67.1 | Low | 58 Ų | 58 | 95.8 Ų | 95.8 | 36% | 0.356 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -80.1 | -26.1 | 178.8 | 40.2 | 0 | 0 | 0 | 0 | 113.3 | T53 Q58 K60 | T53-T56 PolarHBondContact N-OG1 2.96Å; T53-T56 VanDerWaalsContact N-OG1 3.14Å; T53-T56 PolarHBondContact O-N 3.46Å; T53-T56 PolarHBondContact O-OG1 2.95Å; T53-T56 WeakPolarHBondContact OG1-CG2 3.43Å; T53-T56 PolarHBondContact OG1-OG1 2.96Å; T56-Q58 PolarHBondContact O-N 2.99Å; T56-K60 PolarHBondContact O-N 2.88Å; T56-K60 VanDerWaalsContact O-O 3.09Å |
| 57 | L | 50.7 | Low | 66.7 | Low | 105 Ų | 105 | 95.3 Ų | 95.3 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -22.6 | 175.2 | -75 | 163.1 | 0 | 0 | 0 | 113.4 | F12 | F12-L57 HydrophobicContact CE1-CD2 4.09Å; F12-L57 HydrophobicContact CZ-CD2 4.19Å |
| 58 | Q | 50.6 | Low | 66.4 | Low | 169 Ų | 169 | 93.3 Ų | 93.3 | 79% | 0.79 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -101 | -19.9 | -174.4 | -62.7 | -172.3 | 15.2 | 0 | 0 | 114.5 | T56 | T56-Q58 PolarHBondContact O-N 2.99Å |
| 59 | K | 52.2 | Low | 66.4 | Low | 158 Ų | 158 | 95.4 Ų | 95.4 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -116.4 | -19.3 | -170.2 | -75.1 | 172.2 | -174.8 | 143.2 | 0 | 115.4 | D55 | D55-K59 IonicContact OD1-NZ 2.7Å; D55-K59 PolarHBondContact OD1-NZ 2.89Å; D55-K59 IonicContact OD2-NZ 2.79Å; D55-K59 PolarHBondContact OD2-NZ 2.74Å |
| 60 | K | 53.2 | Low | 66.6 | Low | 169 Ų | 169 | 94.5 Ų | 94.5 | 74% | 0.735 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -153.7 | 123.6 | 179.6 | -148.3 | 172.8 | -175.2 | 178.5 | 0 | 110.7 | T56 A62 | T56-K60 PolarHBondContact O-N 2.88Å; T56-K60 VanDerWaalsContact O-O 3.09Å; K60-A62 PolarHBondContact O-N 3.18Å |
| 61 | P | 57.3 | Low | 67.1 | Low | 121 Ų | 121 | 95 Ų | 95 | 79% | 0.786 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 126.4 | 174.6 | 18.9 | -25 | 0 | 0 | 0 | 109 | ||
| 62 | A | 61 | Low | 68.3 | Low | 21 Ų | 21 | 93.1 Ų | 93.1 | 17% | 0.174 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 144.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109.6 | R8 K60 E64 | R8-A62 PolarHBondContact NH2-O 3.12Å; K60-A62 PolarHBondContact O-N 3.18Å; A62-E64 PolarHBondContact O-N 3.18Å |
| 63 | P | 64.8 | Low | 69.7 | Low | 52 Ų | 52 | 94.1 Ų | 94.1 | 34% | 0.338 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 143.5 | 175.1 | -22.9 | 31.2 | 0 | 0 | 0 | 110.4 | R8 H65 D66 | R8-P63 PolarHBondContact NH1-O 3.08Å; P63-H65 PolarHBondContact O-N 3.37Å; P63-D66 PolarHBondContact O-N 2.91Å |
| 64 | E | 68.1 | Low | 71.5 | Confident | 140 Ų | 140 | 95.7 Ų | 95.7 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -27.4 | -176.4 | -71.1 | -173.6 | 172.8 | 0 | 0 | 113.6 | Y4 R8 A62 | Y4-E64 WeakPolarHBondContact CE1-O 3.43Å; R8-E64 VanDerWaalsContact NH1-C 3.29Å; R8-E64 PolarHBondContact NH1-O 2.9Å; R8-E64 VanDerWaalsContact NH1-O 3.1Å; A62-E64 PolarHBondContact O-N 3.18Å |
| 65 | H | 74.4 | Confident | 73.6 | Confident | 115 Ų | 115 | 89.2 Ų | 89.2 | 53% | 0.532 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.3 | 179 | 49 | -84.6 | 0 | 0 | 0 | 114.3 | P63 C67 | P63-H65 PolarHBondContact O-N 3.37Å; H65-C67 PolarHBondContact O-N 3.44Å; H65-C67 PolarHBondContact O-SG 3.46Å; H65-C67 VanDerWaalsContact O-SG 3.33Å |
| 66 | D | 81.8 | Confident | 75.8 | Confident | 27 Ų | 27 | 88.5 Ų | 88.5 | 14% | 0.144 | 48% | 0.477 | C | S | . | . | trans | 49.6 | 32.8 | 174.9 | -160.2 | 40.4 | 0 | 0 | 0 | 115.5 | Y4 N50 H52 P63 | Y4-D66 WeakPolarHBondContact OH-CB 3.31Å; Y4-D66 PolarHBondContact OH-OD2 3.4Å; N50-D66 WeakPolarHBondContact CB-O 3.33Å; N50-D66 WeakPolarHBondContact CB-OD1 3.33Å; N50-D66 PolarHBondContact N-O 2.9Å; N50-D66 PolarHBondContact ND2-OD1 3.32Å; H52-D66 IonicContact CE1-OD1 3.43Å; H52-D66 PolarHBondContact CE1-OD1 3.48Å; H52-D66 IonicContact CE1-OD2 3.12Å; H52-D66 PolarHBondContact CE1-OD2 3.29Å; H52-D66 IonicContact NE2-OD1 2.79Å; H52-D66 PolarHBondContact NE2-OD1 2.94Å; H52-D66 IonicContact NE2-OD2 3.26Å; H52-D66 PolarHBondContact NE2-OD2 3.02Å; P63-D66 PolarHBondContact O-N 2.91Å | ||
| 67 | C | 86.6 | Confident | 77.8 | Confident | 44 Ų | 44 | 89.2 Ų | 89.2 | 30% | 0.297 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 152.4 | 172.4 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | S48 H65 | S48-C67 CarbonylContact O-C 3.57Å; S48-C67 WeakPolarHBondContact O-CA 3.3Å; S48-C67 WeakPolarHBondContact O-CB 3.22Å; H65-C67 PolarHBondContact O-N 3.44Å; H65-C67 PolarHBondContact O-SG 3.46Å; H65-C67 VanDerWaalsContact O-SG 3.33Å |
| 68 | V | 88.9 | Confident | 79.9 | Confident | 58 Ų | 58 | 84.6 Ų | 84.6 | 35% | 0.352 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.3 | 167.2 | 178.5 | 0 | 0 | 0 | 0 | 107.8 | V47 S48 N50 | V47-V68 WeakPolarHBondContact CA-O 3.41Å; S48-V68 PolarHBondContact N-O 2.96Å; S48-V68 PolarHBondContact O-N 3.42Å; N50-V68 HydrophobicContact CB-CG2 4.3Å |
| 69 | T | 90.7 | Very high | 81.9 | Confident | 85 Ų | 85 | 80.1 Ų | 80.1 | 52% | 0.521 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.4 | 174.1 | 62.7 | 0 | 0 | 0 | 0 | 110 | L46 V47 | L46-T69 CarbonylContact O-C 3.54Å; L46-T69 WeakPolarHBondContact O-CA 3.33Å; V47-T69 HydrophobicContact CG1-CG2 4.16Å |
| 70 | F | 91.6 | Very high | 83.9 | Confident | 88 Ų | 88 | 77.9 Ų | 77.9 | 39% | 0.386 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 169.7 | 175.1 | 57.1 | -80.9 | 0 | 0 | 0 | 110.8 | L46 | L46-F70 HydrophobicContact CB-CD1 4.24Å; L46-F70 HydrophobicContact CB-CD2 3.69Å; L46-F70 HydrophobicContact CB-CE1 3.97Å; L46-F70 HydrophobicContact CB-CE2 3.39Å; L46-F70 HydrophobicContact CB-CG 4.1Å; L46-F70 HydrophobicContact CB-CZ 3.54Å; L46-F70 HydrophobicContact CD1-CD2 3.93Å; L46-F70 HydrophobicContact CD1-CE2 3.43Å; L46-F70 VanDerWaalsContact CD1-CE2 3.43Å; L46-F70 HydrophobicContact CD1-CZ 4.21Å; L46-F70 HydrophobicContact CG-CD2 4.4Å; L46-F70 HydrophobicContact CG-CE2 4.05Å; L46-F70 PolarHBondContact N-O 3.4Å; L46-F70 PolarHBondContact O-N 2.98Å |
| 71 | S | 92.2 | Very high | 85.8 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 27% | 0.266 | 42% | 0.424 | S | S | . | . | trans | -109 | 148.8 | 170.5 | -75.7 | 0 | 0 | 0 | 0 | 109.5 | R45 | R45-S71 PolarHBondContact NH1-OG 2.97Š| ||
| 72 | D | 94.6 | Very high | 87.6 | Confident | 45 Ų | 45 | 66.6 Ų | 66.6 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | trans | -67.3 | 123.3 | 165.3 | -167 | -42 | 0 | 0 | 0 | 108.8 | L46 T74 W75 | L46-D72 HydrophobicContact CD1-CB 3.95Å; D72-T74 PolarHBondContact O-N 3.32Å; D72-T74 VanDerWaalsContact OD1-CB 3.28Å; D72-T74 WeakPolarHBondContact OD1-CB 3.37Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.49Å; D72-T74 PolarHBondContact OD1-N 2.88Å; D72-T74 PolarHBondContact OD1-OG1 2.95Å; D72-W75 HydrophobicContact CB-CD2 3.43Å; D72-W75 VanDerWaalsContact CB-CD2 3.43Å; D72-W75 VanDerWaalsContact CB-CE2 3.41Å; D72-W75 HydrophobicContact CB-CE3 3.81Å; D72-W75 HydrophobicContact CB-CG 3.76Å; D72-W75 HydrophobicContact CB-CH2 4.23Å; D72-W75 HydrophobicContact CB-CZ2 3.84Å; D72-W75 HydrophobicContact CB-CZ3 4.2Å; D72-W75 PolarHBondContact O-N 2.78Å | ||
| 73 | P | 93.7 | Very high | 89.3 | Confident | 129 Ų | 129 | 65.7 Ų | 65.7 | 84% | 0.838 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.7 | 179.5 | 28.5 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 74 | T | 95.7 | Very high | 90.8 | Very high | 110 Ų | 110 | 63.7 Ų | 63.7 | 68% | 0.675 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.9 | 175.9 | 70.5 | 0 | 0 | 0 | 0 | 113.1 | D72 | D72-T74 PolarHBondContact O-N 3.32Å; D72-T74 VanDerWaalsContact OD1-CB 3.28Å; D72-T74 WeakPolarHBondContact OD1-CB 3.37Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.49Å; D72-T74 PolarHBondContact OD1-N 2.88Å; D72-T74 PolarHBondContact OD1-OG1 2.95Å |
| 75 | W | 96.5 | Very high | 92.3 | Very high | 44 Ų | 44 | 57 Ų | 57 | 17% | 0.167 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -77.2 | 133 | 179.3 | -65.2 | -9.9 | 0 | 0 | 0 | 110.8 | T44 L46 D72 S77 A83 V85 W87 | T44-W75 HydrophobicContact CG2-CH2 4.34Å; T44-W75 HydrophobicContact CG2-CZ3 4.48Å; L46-W75 HydrophobicContact CD1-CH2 4.35Å; L46-W75 HydrophobicContact CD2-CH2 3.67Å; L46-W75 HydrophobicContact CD2-CZ2 4.23Å; L46-W75 HydrophobicContact CG-CH2 3.79Å; L46-W75 HydrophobicContact CG-CZ2 4.49Å; L46-W75 HydrophobicContact CG-CZ3 4.27Å; D72-W75 HydrophobicContact CB-CD2 3.43Å; D72-W75 VanDerWaalsContact CB-CD2 3.43Å; D72-W75 VanDerWaalsContact CB-CE2 3.41Å; D72-W75 HydrophobicContact CB-CE3 3.81Å; D72-W75 HydrophobicContact CB-CG 3.76Å; D72-W75 HydrophobicContact CB-CH2 4.23Å; D72-W75 HydrophobicContact CB-CZ2 3.84Å; D72-W75 HydrophobicContact CB-CZ3 4.2Å; D72-W75 PolarHBondContact O-N 2.78Å; W75-S77 PolarHBondContact O-N 2.78Å; W75-A83 HydrophobicContact CB-CB 4.32Å; W75-A83 HydrophobicContact CE3-CB 3.99Å; W75-V85 HydrophobicContact CD2-CG2 3.67Å; W75-V85 HydrophobicContact CE3-CG2 3.27Å; W75-V85 HydrophobicContact CG-CG2 4.31Å; W75-V85 HydrophobicContact CH2-CG1 4.41Å; W75-V85 HydrophobicContact CH2-CG2 4.33Å; W75-V85 HydrophobicContact CZ3-CG1 4.48Å; W75-V85 HydrophobicContact CZ3-CG2 3.63Å; W75-W87 HydrophobicContact CH2-CH2 4.19Å; W75-W87 HydrophobicContact CH2-CZ2 4.23Å; W75-W87 AromaticContact CZ2-CH2 3.97Å; W75-W87 HydrophobicContact CZ2-CH2 3.97Å; W75-W87 AromaticContact CZ2-CZ2 3.65Å; W75-W87 HydrophobicContact CZ2-CZ2 3.65Å |
| 76 | P | 94.7 | Very high | 93.4 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | trans | -55.9 | 142.5 | 170.4 | -22.2 | 32.6 | 0 | 0 | 0 | 110.3 | A83 L84 | P76-A83 CarbonylContact O-C 3.5Å; P76-A83 WeakPolarHBondContact O-CA 3.46Å; P76-L84 HydrophobicContact CB-CB 4.43Å; P76-L84 HydrophobicContact CB-CD1 4.17Å; P76-L84 WeakPolarHBondContact O-CD1 3.3Å; P76-L84 PolarHBondContact O-N 3.46Å | ||
| 77 | S | 95 | Very high | 94.2 | Very high | 72 Ų | 72 | 56.1 Ų | 56.1 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -133.5 | 155.3 | 178.2 | 64.6 | 0 | 0 | 0 | 0 | 112 | W75 Q82 | W75-S77 PolarHBondContact O-N 2.78Å; S77-Q82 CarbonylContact C-O 3.56Å; S77-Q82 WeakPolarHBondContact CA-O 3.31Å |
| 78 | S | 95.2 | Very high | 94.8 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | trans | -73.7 | 177.5 | 170.7 | 71.2 | 0 | 0 | 0 | 0 | 112.8 | L80 G81 Q82 D114 | S78-L80 PolarHBondContact O-N 2.98Å; S78-L80 PolarHBondContact OG-N 2.87Å; S78-G81 PolarHBondContact O-N 3.33Å; S78-Q82 PolarHBondContact N-O 3.04Å; S78-Q82 VanDerWaalsContact OG-CB 3.25Å; S78-Q82 WeakPolarHBondContact OG-CB 3.43Å; S78-Q82 PolarHBondContact OG-N 3.48Å; S78-D114 WeakPolarHBondContact CB-OD1 3.42Å; S78-D114 WeakPolarHBondContact CB-OD2 3.38Å; S78-D114 PolarHBondContact OG-OD1 2.95Å; S78-D114 PolarHBondContact OG-OD2 3.39Å; S78-D114 VanDerWaalsContact OG-OD2 3.11Å | ||
| 79 | S | 91.9 | Very high | 95.3 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 52% | 0.524 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.4 | 176.9 | 64.5 | 0 | 0 | 0 | 0 | 113.7 | G81 D114 Q116 | S79-G81 VanDerWaalsContact C-N 3.32Å; S79-D114 PolarHBondContact N-OD2 3.27Å; S79-D114 VanDerWaalsContact N-OD2 3.13Å; S79-D114 PolarHBondContact OG-OD2 3.29Å; S79-Q116 PolarHBondContact OG-NE2 3.15Å |
| 80 | L | 93.2 | Very high | 95.6 | Very high | 110 Ų | 110 | 50.4 Ų | 50.4 | 58% | 0.576 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 10.2 | 175.8 | -59.9 | -178.2 | 0 | 0 | 0 | 113.2 | S78 D114 L161 F162 | S78-L80 PolarHBondContact O-N 2.98Å; S78-L80 PolarHBondContact OG-N 2.87Å; L80-D114 HydrophobicContact CD1-CB 3.92Å; L80-D114 HydrophobicContact CG-CB 4.18Å; L80-D114 WeakPolarHBondContact CG-OD2 3.35Å; L80-D114 PolarHBondContact N-OD2 3Å; L80-L161 HydrophobicContact CD1-CD2 4.23Å; L80-F162 HydrophobicContact CD1-CE2 4.22Å |
| 81 | G | 93.3 | Very high | 96 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | trans | 75.7 | 21.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S78 S79 A83 | S78-G81 PolarHBondContact O-N 3.33Å; S79-G81 VanDerWaalsContact C-N 3.32Å; G81-A83 PolarHBondContact O-N 3.03Å | ||
| 82 | Q | 95.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | trans | -77.8 | 115.2 | 171.3 | -173.2 | -176.9 | -49.3 | 0 | 0 | 109.2 | F42 T43 S77 S78 G112 | F42-Q82 PolarHBondContact O-NE2 2.97Å; F42-Q82 VanDerWaalsContact O-NE2 3.11Å; T43-Q82 HydrophobicContact CG2-CG 4.23Å; S77-Q82 CarbonylContact C-O 3.56Å; S77-Q82 WeakPolarHBondContact CA-O 3.31Å; S78-Q82 PolarHBondContact N-O 3.04Å; S78-Q82 VanDerWaalsContact OG-CB 3.25Å; S78-Q82 WeakPolarHBondContact OG-CB 3.43Å; S78-Q82 PolarHBondContact OG-N 3.48Å; Q82-G112 PolarHBondContact NE2-O 3.41Å | ||
| 83 | A | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -70.6 | 138.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T43 W75 P76 G81 V85 | T43-A83 WeakPolarHBondContact CB-O 3.42Å; T43-A83 PolarHBondContact OG1-N 3.43Å; T43-A83 PolarHBondContact OG1-O 3.23Å; W75-A83 HydrophobicContact CB-CB 4.32Å; W75-A83 HydrophobicContact CE3-CB 3.99Å; P76-A83 CarbonylContact O-C 3.5Å; P76-A83 WeakPolarHBondContact O-CA 3.46Å; G81-A83 PolarHBondContact O-N 3.03Å; A83-V85 HydrophobicContact CB-CG2 3.9Å; A83-V85 PolarHBondContact O-N 3.42Å |
| 84 | L | 97.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | trans | -86.6 | 102 | 173.2 | -75.2 | 95.7 | 0 | 0 | 0 | 109.6 | P76 I113 L123 Y126 Y127 | P76-L84 HydrophobicContact CB-CB 4.43Å; P76-L84 HydrophobicContact CB-CD1 4.17Å; P76-L84 WeakPolarHBondContact O-CD1 3.3Å; P76-L84 PolarHBondContact O-N 3.46Å; L84-I113 HydrophobicContact CD1-CD1 3.49Å; L84-I113 VanDerWaalsContact CD1-CD1 3.49Å; L84-I113 HydrophobicContact CD2-CD1 3.93Å; L84-I113 HydrophobicContact CG-CD1 3.49Å; L84-I113 VanDerWaalsContact CG-CD1 3.49Å; L84-L123 HydrophobicContact CD1-CD1 3.77Å; L84-L123 HydrophobicContact CD2-CD1 3.71Å; L84-L123 HydrophobicContact CG-CD1 4.38Å; L84-Y126 HydrophobicContact CD2-CD1 3.59Å; L84-Y126 HydrophobicContact CD2-CE1 3.87Å; L84-Y127 HydrophobicContact CD2-CD2 4.34Å | ||
| 85 | V | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | trans | -132 | 72.7 | -177.3 | -164.9 | 0 | 0 | 0 | 0 | 109.6 | T44 W75 A83 W87 G88 Y131 | T44-V85 HydrophobicContact CG2-CG1 4.32Å; W75-V85 HydrophobicContact CD2-CG2 3.67Å; W75-V85 HydrophobicContact CE3-CG2 3.27Å; W75-V85 HydrophobicContact CG-CG2 4.31Å; W75-V85 HydrophobicContact CH2-CG1 4.41Å; W75-V85 HydrophobicContact CH2-CG2 4.33Å; W75-V85 HydrophobicContact CZ3-CG1 4.48Å; W75-V85 HydrophobicContact CZ3-CG2 3.63Å; A83-V85 HydrophobicContact CB-CG2 3.9Å; A83-V85 PolarHBondContact O-N 3.42Å; V85-W87 VanDerWaalsContact C-N 3.34Å; V85-W87 HydrophobicContact CG1-CD2 3.72Å; V85-W87 HydrophobicContact CG1-CE3 4.11Å; V85-W87 HydrophobicContact CG1-CG 4.36Å; V85-W87 HydrophobicContact CG1-CH2 3.69Å; V85-W87 HydrophobicContact CG1-CZ2 3.27Å; V85-W87 HydrophobicContact CG1-CZ3 4.08Å; V85-W87 PolarHBondContact O-N 3.31Å; V85-G88 WeakPolarHBondContact O-CA 3.27Å; V85-G88 PolarHBondContact O-N 3.4Å; V85-Y131 PolarHBondContact N-OH 3.4Å; V85-Y131 VanDerWaalsContact N-OH 3.17Å | ||
| 86 | P | 98.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 13% | 0.13 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | -172.1 | -23.2 | 33.2 | 0 | 0 | 0 | 113 | G88 L89 S130 Y131 E134 | P86-G88 PolarHBondContact O-N 2.92Å; P86-G88 VanDerWaalsContact O-N 3.09Å; P86-L89 WeakPolarHBondContact O-CB 3.26Å; P86-L89 PolarHBondContact O-N 3.36Å; P86-S130 WeakPolarHBondContact CG-OG 3.49Å; P86-Y131 HydrophobicContact CB-CD2 3.78Å; P86-Y131 HydrophobicContact CB-CE2 3.92Å; P86-Y131 HydrophobicContact CB-CG 4.43Å; P86-Y131 HydrophobicContact CG-CD2 3.85Å; P86-Y131 HydrophobicContact CG-CE2 3.7Å; P86-E134 HydrophobicContact CB-CG 3.83Å |
| 87 | W | 98.5 | Very high | 97 | Very high | 102 Ų | 102 | 45.5 Ų | 45.5 | 39% | 0.386 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -20.3 | 178.5 | 56 | -102.2 | 0 | 0 | 0 | 112.8 | W75 V85 L89 R90 K91 | W75-W87 HydrophobicContact CH2-CH2 4.19Å; W75-W87 HydrophobicContact CH2-CZ2 4.23Å; W75-W87 AromaticContact CZ2-CH2 3.97Å; W75-W87 HydrophobicContact CZ2-CH2 3.97Å; W75-W87 AromaticContact CZ2-CZ2 3.65Å; W75-W87 HydrophobicContact CZ2-CZ2 3.65Å; V85-W87 VanDerWaalsContact C-N 3.34Å; V85-W87 HydrophobicContact CG1-CD2 3.72Å; V85-W87 HydrophobicContact CG1-CE3 4.11Å; V85-W87 HydrophobicContact CG1-CG 4.36Å; V85-W87 HydrophobicContact CG1-CH2 3.69Å; V85-W87 HydrophobicContact CG1-CZ2 3.27Å; V85-W87 HydrophobicContact CG1-CZ3 4.08Å; V85-W87 PolarHBondContact O-N 3.31Å; W87-L89 VanDerWaalsContact C-N 3.32Å; W87-R90 PolarHBondContact O-N 3.5Å; W87-K91 HydrophobicContact CE3-CD 3.7Å; W87-K91 HydrophobicContact CE3-CG 4.37Å; W87-K91 HydrophobicContact CZ3-CD 3.75Å; W87-K91 VanDerWaalsContact CZ3-NZ 3.32Å; W87-K91 PolarHBondContact O-N 3.05Å |
| 88 | G | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T44 V85 P86 K91 M92 | T44-G88 WeakPolarHBondContact OG1-CA 3.48Å; V85-G88 WeakPolarHBondContact O-CA 3.27Å; V85-G88 PolarHBondContact O-N 3.4Å; P86-G88 PolarHBondContact O-N 2.92Å; P86-G88 VanDerWaalsContact O-N 3.09Å; G88-K91 PolarHBondContact O-N 3.43Å; G88-M92 WeakPolarHBondContact O-CB 3.38Å; G88-M92 PolarHBondContact O-N 3.44Å |
| 89 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 174.8 | 174.4 | 64.6 | 0 | 0 | 0 | 110.8 | H41 P86 W87 K91 M92 L93 V108 Y131 A135 F149 | H41-L89 HydrophobicContact CB-CD1 3.82Å; H41-L89 VanDerWaalsContact CE1-CA 3.46Å; H41-L89 WeakPolarHBondContact CE1-CA 3.42Å; H41-L89 PolarHBondContact CE1-N 2.93Å; P86-L89 WeakPolarHBondContact O-CB 3.26Å; P86-L89 PolarHBondContact O-N 3.36Å; W87-L89 VanDerWaalsContact C-N 3.32Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.33Å; L89-M92 PolarHBondContact O-N 3.08Å; L89-L93 HydrophobicContact CD1-CD1 4Å; L89-L93 HydrophobicContact CD1-CG 4Å; L89-L93 HydrophobicContact CD2-CD1 4.48Å; L89-L93 HydrophobicContact CG-CD1 3.89Å; L89-L93 HydrophobicContact CG-CG 4.31Å; L89-L93 WeakPolarHBondContact O-CB 2.96Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 3.3Å; L89-V108 HydrophobicContact CD1-CG2 4.31Å; L89-Y131 HydrophobicContact CB-CD1 4.08Å; L89-Y131 HydrophobicContact CB-CE1 4.38Å; L89-Y131 HydrophobicContact CD2-CD1 4.01Å; L89-Y131 WeakPolarHBondContact CD2-O 3.18Å; L89-A135 HydrophobicContact CD2-CB 4.02Å; L89-F149 HydrophobicContact CD2-CE2 3.76Å |
| 90 | R | 98.8 | Very high | 97.2 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 178.4 | 179.4 | 175.4 | 178.6 | -168.7 | -0.5 | 111.6 | W87 M92 L93 K94 E134 A138 D142 | W87-R90 PolarHBondContact O-N 3.5Å; R90-M92 PolarHBondContact O-N 3.03Å; R90-L93 PolarHBondContact O-N 3.39Å; R90-K94 WeakPolarHBondContact O-CB 3.49Å; R90-K94 PolarHBondContact O-N 2.99Å; R90-E134 HydrophobicContact CB-CB 4.13Å; R90-E134 WeakPolarHBondContact CD-OE2 3.47Å; R90-A138 HydrophobicContact CG-CB 4.12Å; R90-D142 WeakPolarHBondContact CG-OD2 3.36Å; R90-D142 IonicContact CZ-OD1 3.32Å; R90-D142 IonicContact CZ-OD2 2.78Å; R90-D142 IonicContact NE-OD1 2.66Å; R90-D142 IonicContact NE-OD2 3.47Å; R90-D142 PolarHBondContact NE-OD2 3.37Å; R90-D142 IonicContact NH2-OD1 3.5Å; R90-D142 PolarHBondContact NH2-OD1 2.98Å; R90-D142 IonicContact NH2-OD2 3.54Å; R90-D142 PolarHBondContact NH2-OD2 3.41Å |
| 91 | K | 98.7 | Very high | 96.7 | Very high | 133 Ų | 133 | 52.4 Ų | 52.4 | 58% | 0.578 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.2 | -44.6 | 174.8 | -74.1 | -173.3 | -178.2 | 175 | 0 | 111.9 | W87 G88 L89 K94 W95 | W87-K91 HydrophobicContact CE3-CD 3.7Å; W87-K91 HydrophobicContact CE3-CG 4.37Å; W87-K91 HydrophobicContact CZ3-CD 3.75Å; W87-K91 VanDerWaalsContact CZ3-NZ 3.32Å; W87-K91 PolarHBondContact O-N 3.05Å; G88-K91 PolarHBondContact O-N 3.43Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.33Å; K91-K94 PolarHBondContact O-N 3.14Å; K91-W95 WeakPolarHBondContact O-CB 3.38Å; K91-W95 PolarHBondContact O-N 3Å |
| 92 | M | 98.6 | Very high | 96.6 | Very high | 73 Ų | 73 | 59.4 Ų | 59.4 | 36% | 0.36 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 178.5 | -177.3 | 57.1 | 69 | 0 | 0 | 111.6 | L39 G88 L89 R90 K94 W95 V96 | L39-M92 HydrophobicContact CD1-CG 4.22Å; L39-M92 HydrophobicContact CD2-CG 3.88Å; G88-M92 WeakPolarHBondContact O-CB 3.38Å; G88-M92 PolarHBondContact O-N 3.44Å; L89-M92 PolarHBondContact O-N 3.08Å; R90-M92 PolarHBondContact O-N 3.03Å; M92-K94 VanDerWaalsContact C-N 3.33Å; M92-K94 PolarHBondContact O-N 2.98Å; M92-W95 PolarHBondContact O-N 3.35Å; M92-W95 HydrophobicContact SD-CE3 4.15Å; M92-V96 HydrophobicContact CG-CG2 4.38Å; M92-V96 WeakPolarHBondContact O-CG2 3.48Å; M92-V96 PolarHBondContact O-N 2.79Å; M92-V96 HydrophobicContact SD-CG2 4.02Å |
| 93 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.3 | -46.2 | 177 | -74.2 | 174.2 | 0 | 0 | 0 | 111.6 | L39 L89 R90 V96 N97 I106 V108 A135 A138 V144 L146 | L39-L93 HydrophobicContact CD2-CD2 3.81Å; L39-L93 HydrophobicContact CD2-CG 4.47Å; L89-L93 HydrophobicContact CD1-CD1 4Å; L89-L93 HydrophobicContact CD1-CG 4Å; L89-L93 HydrophobicContact CD2-CD1 4.48Å; L89-L93 HydrophobicContact CG-CD1 3.89Å; L89-L93 HydrophobicContact CG-CG 4.31Å; L89-L93 WeakPolarHBondContact O-CB 2.96Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 3.3Å; R90-L93 PolarHBondContact O-N 3.39Å; L93-V96 PolarHBondContact O-N 2.98Å; L93-N97 VanDerWaalsContact O-CB 3.24Å; L93-N97 WeakPolarHBondContact O-CB 3.46Å; L93-N97 PolarHBondContact O-N 3.03Å; L93-I106 HydrophobicContact CD2-CG2 3.77Å; L93-V108 HydrophobicContact CD2-CG2 4.03Å; L93-A135 HydrophobicContact CD1-CB 4.43Å; L93-A138 HydrophobicContact CB-CB 4.14Å; L93-A138 HydrophobicContact CD1-CB 3.82Å; L93-V144 HydrophobicContact CB-CG1 4.3Å; L93-V144 HydrophobicContact CB-CG2 4.48Å; L93-L146 HydrophobicContact CD1-CD2 4.37Å; L93-L146 HydrophobicContact CD2-CD1 4.12Å |
| 94 | K | 98.3 | Very high | 96.4 | Very high | 88 Ų | 88 | 65.8 Ų | 65.8 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.8 | -176.3 | 172.5 | -178.1 | 168.8 | 0 | 111.9 | R90 K91 M92 N97 Q98 | R90-K94 WeakPolarHBondContact O-CB 3.49Å; R90-K94 PolarHBondContact O-N 2.99Å; K91-K94 PolarHBondContact O-N 3.14Å; M92-K94 VanDerWaalsContact C-N 3.33Å; M92-K94 PolarHBondContact O-N 2.98Å; K94-N97 PolarHBondContact O-N 3.23Å; K94-Q98 WeakPolarHBondContact O-CB 3.37Å; K94-Q98 VanDerWaalsContact O-CG 3.22Å; K94-Q98 WeakPolarHBondContact O-CG 3.35Å; K94-Q98 PolarHBondContact O-N 2.94Å |
| 95 | W | 98.4 | Very high | 96.4 | Very high | 131 Ų | 131 | 67 Ų | 67 | 50% | 0.496 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 178.5 | -179.6 | 88.4 | 0 | 0 | 0 | 111.8 | K91 M92 N97 Q98 R99 Y100 | K91-W95 WeakPolarHBondContact O-CB 3.38Å; K91-W95 PolarHBondContact O-N 3Å; M92-W95 PolarHBondContact O-N 3.35Å; M92-W95 HydrophobicContact SD-CE3 4.15Å; W95-N97 PolarHBondContact O-N 3.28Å; W95-Q98 PolarHBondContact O-N 3.07Å; W95-R99 HydrophobicContact CD2-CB 4.34Å; W95-R99 HydrophobicContact CE3-CB 4.42Å; W95-R99 HydrophobicContact CH2-CB 4.35Å; W95-R99 HydrophobicContact CH2-CG 3.87Å; W95-R99 HydrophobicContact CZ2-CB 4.26Å; W95-R99 HydrophobicContact CZ2-CG 3.88Å; W95-R99 HydrophobicContact CZ3-CB 4.43Å; W95-R99 HydrophobicContact CZ3-CG 4.35Å; W95-R99 WeakPolarHBondContact O-CB 3.36Å; W95-R99 PolarHBondContact O-N 3.28Å; W95-Y100 HydrophobicContact CH2-CE2 4.27Å; W95-Y100 AromaticContact CZ3-CE2 3.94Å; W95-Y100 HydrophobicContact CZ3-CE2 3.94Å |
| 96 | V | 97.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | I37 M92 L93 Q98 R99 Y100 I106 | I37-V96 HydrophobicContact CB-CG1 4.47Å; I37-V96 HydrophobicContact CD1-CG1 3.6Å; I37-V96 HydrophobicContact CG2-CG1 3.86Å; M92-V96 HydrophobicContact CG-CG2 4.38Å; M92-V96 WeakPolarHBondContact O-CG2 3.48Å; M92-V96 PolarHBondContact O-N 2.79Å; M92-V96 HydrophobicContact SD-CG2 4.02Å; L93-V96 PolarHBondContact O-N 2.98Å; V96-Q98 VanDerWaalsContact C-N 3.27Å; V96-Q98 PolarHBondContact O-N 3.03Å; V96-R99 PolarHBondContact O-N 3.02Å; V96-Y100 HydrophobicContact CG1-CD2 4Å; V96-Y100 WeakPolarHBondContact O-CD2 3.27Å; V96-Y100 PolarHBondContact O-N 3.4Å; V96-I106 HydrophobicContact CB-CD1 4.16Å; V96-I106 HydrophobicContact CG1-CD1 3.72Å; V96-I106 HydrophobicContact CG1-CG1 4.36Å |
| 97 | N | 96.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -37.2 | 179.1 | -169.1 | 60.7 | 0 | 0 | 0 | 112.6 | L93 K94 W95 G101 R102 I106 V144 | L93-N97 VanDerWaalsContact O-CB 3.24Å; L93-N97 WeakPolarHBondContact O-CB 3.46Å; L93-N97 PolarHBondContact O-N 3.03Å; K94-N97 PolarHBondContact O-N 3.23Å; W95-N97 PolarHBondContact O-N 3.28Å; N97-G101 CarbonylContact O-C 3.58Å; N97-R102 PolarHBondContact O-N 2.94Å; N97-I106 HydrophobicContact CB-CD1 3.97Å; N97-V144 HydrophobicContact CB-CG1 4.15Å; N97-V144 HydrophobicContact CB-CG2 4.06Å |
| 98 | Q | 96.6 | Very high | 96.4 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -76.6 | -39.8 | 176.5 | -70.9 | 173.2 | -8.3 | 0 | 0 | 112.3 | K94 W95 V96 | K94-Q98 WeakPolarHBondContact O-CB 3.37Å; K94-Q98 VanDerWaalsContact O-CG 3.22Å; K94-Q98 WeakPolarHBondContact O-CG 3.35Å; K94-Q98 PolarHBondContact O-N 2.94Å; W95-Q98 PolarHBondContact O-N 3.07Å; V96-Q98 VanDerWaalsContact C-N 3.27Å; V96-Q98 PolarHBondContact O-N 3.03Å |
| 99 | R | 96.3 | Very high | 96.4 | Very high | 153 Ų | 153 | 65.3 Ų | 65.3 | 58% | 0.577 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -73.1 | -35.9 | -172.7 | 179.7 | 63 | -175.8 | 92.2 | -5.4 | 113.6 | W95 V96 | W95-R99 HydrophobicContact CD2-CB 4.34Å; W95-R99 HydrophobicContact CE3-CB 4.42Å; W95-R99 HydrophobicContact CH2-CB 4.35Å; W95-R99 HydrophobicContact CH2-CG 3.87Å; W95-R99 HydrophobicContact CZ2-CB 4.26Å; W95-R99 HydrophobicContact CZ2-CG 3.88Å; W95-R99 HydrophobicContact CZ3-CB 4.43Å; W95-R99 HydrophobicContact CZ3-CG 4.35Å; W95-R99 WeakPolarHBondContact O-CB 3.36Å; W95-R99 PolarHBondContact O-N 3.28Å; V96-R99 PolarHBondContact O-N 3.02Å |
| 100 | Y | 93.4 | Very high | 96.4 | Very high | 120 Ų | 120 | 65.6 Ų | 65.6 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -112.2 | 8.9 | -172.7 | -62.1 | -74.1 | 0 | 0 | 0 | 113.5 | I37 W95 V96 | I37-Y100 HydrophobicContact CD1-CD2 4.22Å; I37-Y100 HydrophobicContact CD1-CG 4.16Å; W95-Y100 HydrophobicContact CH2-CE2 4.27Å; W95-Y100 AromaticContact CZ3-CE2 3.94Å; W95-Y100 HydrophobicContact CZ3-CE2 3.94Å; V96-Y100 HydrophobicContact CG1-CD2 4Å; V96-Y100 WeakPolarHBondContact O-CD2 3.27Å; V96-Y100 PolarHBondContact O-N 3.4Å |
| 101 | G | 84 | Confident | 96.4 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | trans | 91 | 140.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N97 T103 | N97-G101 CarbonylContact O-C 3.58Å; G101-T103 PolarHBondContact O-N 3.05Å | ||
| 102 | R | 90.9 | Very high | 96.3 | Very high | 178 Ų | 178 | 56.3 Ų | 56.3 | 67% | 0.672 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -4.8 | -173.3 | -60.1 | -178.5 | 178.1 | 172.6 | -0.4 | 114.1 | N97 | N97-R102 PolarHBondContact O-N 2.94Š|
| 103 | T | 92.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 74% | 0.736 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -29.8 | -175.7 | 52 | 0 | 0 | 0 | 0 | 112.1 | G101 N145 | G101-T103 PolarHBondContact O-N 3.05Å; T103-N145 PolarHBondContact O-ND2 3.35Å |
| 104 | L | 95.3 | Very high | 96.1 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -69.6 | 129.3 | -178.2 | -73 | 175.7 | 0 | 0 | 0 | 110.9 | L34 I37 | L34-L104 WeakPolarHBondContact O-CD2 3.44Å; I37-L104 HydrophobicContact CD1-CB 4.22Å; I37-L104 HydrophobicContact CD1-CD1 4.12Å; I37-L104 HydrophobicContact CG1-CB 4.33Å; I37-L104 HydrophobicContact CG1-CD1 4.22Å |
| 105 | P | 97.5 | Very high | 95.9 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 24% | 0.24 | 24% | 0.236 | C | C | . | . | trans | -58.6 | 139.3 | 169.3 | -25.2 | 35.7 | 0 | 0 | 0 | 111.2 | S35 F36 I37 Q147 | S35-P105 WeakPolarHBondContact O-CD 3.44Å; F36-P105 CarbonylContact C-O 3.53Å; F36-P105 WeakPolarHBondContact CA-O 3.49Å; F36-P105 HydrophobicContact CB-CB 3.84Å; F36-P105 HydrophobicContact CB-CG 4.33Å; F36-P105 WeakPolarHBondContact CB-O 3.46Å; I37-P105 PolarHBondContact N-O 3.1Å; P105-Q147 HydrophobicContact CB-CB 4.43Å; P105-Q147 HydrophobicContact CB-CG 3.82Å | ||
| 106 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.7 | 171.2 | -54.8 | -179.8 | 0 | 0 | 0 | 108.2 | I37 L39 L93 V96 N97 V144 N145 L146 Q147 | I37-I106 HydrophobicContact CB-CG1 4.37Å; I37-I106 WeakPolarHBondContact O-CA 3.4Å; L39-I106 HydrophobicContact CB-CG2 4.46Å; L93-I106 HydrophobicContact CD2-CG2 3.77Å; V96-I106 HydrophobicContact CB-CD1 4.16Å; V96-I106 HydrophobicContact CG1-CD1 3.72Å; V96-I106 HydrophobicContact CG1-CG1 4.36Å; N97-I106 HydrophobicContact CB-CD1 3.97Å; I106-V144 HydrophobicContact CD1-CG1 3.87Å; I106-N145 PolarHBondContact N-O 2.76Å; I106-L146 HydrophobicContact CG2-CD1 4.49Å; I106-L146 WeakPolarHBondContact O-CA 3.39Å; I106-Q147 PolarHBondContact O-N 2.97Å |
| 107 | I | 98.6 | Very high | 95.1 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 19% | 0.185 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.1 | 173.9 | -59 | 177.9 | 0 | 0 | 0 | 107.4 | F36 I37 A38 L39 T109 Q147 Y150 | F36-I107 HydrophobicContact CD2-CB 4.45Å; F36-I107 HydrophobicContact CD2-CD1 3.87Å; F36-I107 HydrophobicContact CD2-CG1 4.21Å; F36-I107 HydrophobicContact CE2-CD1 4.07Å; F36-I107 HydrophobicContact CG-CD1 4.37Å; I37-I107 PolarHBondContact O-N 3.48Å; A38-I107 WeakPolarHBondContact CA-O 3.22Å; L39-I107 PolarHBondContact N-O 3.22Å; I107-T109 HydrophobicContact CB-CG2 4.44Å; I107-T109 HydrophobicContact CG2-CG2 3.93Å; I107-T109 PolarHBondContact O-N 3.45Å; I107-T109 VanDerWaalsContact O-N 3.15Å; I107-Q147 HydrophobicContact CG1-CB 4.33Å; I107-Y150 HydrophobicContact CG2-CD2 3.86Å; I107-Y150 HydrophobicContact CG2-CE2 3.74Å |
| 108 | V | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 102.8 | 169.1 | 178 | 0 | 0 | 0 | 0 | 107.3 | L39 L89 L93 L146 G148 F149 Y150 | L39-V108 CarbonylContact O-C 3.48Å; L39-V108 VanDerWaalsContact O-CA 3.23Å; L39-V108 WeakPolarHBondContact O-CA 3.21Å; L89-V108 HydrophobicContact CD1-CG2 4.31Å; L93-V108 HydrophobicContact CD2-CG2 4.03Å; V108-L146 HydrophobicContact CG2-CD1 4.02Å; V108-G148 PolarHBondContact N-O 3.47Å; V108-F149 HydrophobicContact CB-CD2 3.67Å; V108-F149 HydrophobicContact CB-CE2 4.1Å; V108-F149 HydrophobicContact CB-CG 4.18Å; V108-F149 HydrophobicContact CG1-CD2 3.82Å; V108-F149 HydrophobicContact CG1-CE2 3.75Å; V108-F149 HydrophobicContact CG1-CG 4.36Å; V108-F149 HydrophobicContact CG1-CZ 4.23Å; V108-F149 HydrophobicContact CG2-CD2 3.93Å; V108-F149 HydrophobicContact CG2-CE2 4.26Å; V108-F149 CarbonylContact O-C 3.55Å; V108-F149 WeakPolarHBondContact O-CA 3.28Å; V108-Y150 PolarHBondContact O-N 3.29Å |
| 109 | T | 98.4 | Very high | 94.1 | Very high | 54 Ų | 54 | 53 Ų | 53 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -18.2 | -173.8 | 41.1 | 0 | 0 | 0 | 0 | 113.6 | A38 L39 N40 I107 Y150 | A38-T109 HydrophobicContact CB-CG2 3.78Å; L39-T109 PolarHBondContact O-N 3.2Å; L39-T109 PolarHBondContact O-OG1 2.89Å; N40-T109 PolarHBondContact OD1-OG1 3.39Å; I107-T109 HydrophobicContact CB-CG2 4.44Å; I107-T109 HydrophobicContact CG2-CG2 3.93Å; I107-T109 PolarHBondContact O-N 3.45Å; I107-T109 VanDerWaalsContact O-N 3.15Å; T109-Y150 WeakPolarHBondContact O-CB 3.46Å |
| 110 | A | 98.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 126.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N40 H41 F42 Y150 W152 | N40-A110 CarbonylContact C-O 3.53Å; N40-A110 WeakPolarHBondContact CA-O 3.42Å; N40-A110 HydrophobicContact CB-CB 4.16Å; N40-A110 VanDerWaalsContact OD1-CB 3.28Å; N40-A110 WeakPolarHBondContact OD1-CB 3.28Å; N40-A110 PolarHBondContact OD1-N 3.41Å; N40-A110 VanDerWaalsContact OD1-N 3.15Å; H41-A110 PolarHBondContact N-O 3.43Å; F42-A110 HydrophobicContact CE2-CB 4.13Å; F42-A110 HydrophobicContact CZ-CB 3.82Å; A110-Y150 WeakPolarHBondContact CA-O 3.45Å; A110-W152 HydrophobicContact CB-CB 4.04Å; A110-W152 HydrophobicContact CB-CE3 4.39Å |
| 111 | S | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 138 | 171.4 | -170.2 | 0 | 0 | 0 | 0 | 110.2 | H41 Y127 Y150 V151 W152 | H41-S111 WeakPolarHBondContact O-CA 3.38Å; H41-S111 WeakPolarHBondContact O-CB 3.48Å; H41-S111 PolarHBondContact O-OG 3.02Å; S111-Y127 PolarHBondContact OG-OH 2.7Å; S111-Y150 PolarHBondContact N-O 2.93Å; S111-Y150 VanDerWaalsContact N-O 3.17Å; S111-V151 CarbonylContact O-C 3.11Å; S111-V151 WeakPolarHBondContact O-CA 3.35Å; S111-W152 PolarHBondContact O-N 3.32Å |
| 112 | G | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | trans | 176.3 | -178.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F42 Q82 Y127 | F42-G112 WeakPolarHBondContact CD1-O 3.39Å; Q82-G112 PolarHBondContact NE2-O 3.41Å; G112-Y127 VanDerWaalsContact CA-CE1 3.4Å; G112-Y127 PolarHBondContact N-OH 3.26Å; G112-Y127 VanDerWaalsContact O-CZ 3.23Å; G112-Y127 PolarHBondContact O-OH 2.8Å | ||
| 113 | I | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | trans | -143.9 | 150.6 | 178.8 | -163.8 | 152 | 0 | 0 | 0 | 111 | L84 L123 R124 Y127 F162 | L84-I113 HydrophobicContact CD1-CD1 3.49Å; L84-I113 VanDerWaalsContact CD1-CD1 3.49Å; L84-I113 HydrophobicContact CD2-CD1 3.93Å; L84-I113 HydrophobicContact CG-CD1 3.49Å; L84-I113 VanDerWaalsContact CG-CD1 3.49Å; I113-L123 HydrophobicContact CD1-CD2 4.22Å; I113-L123 HydrophobicContact CD1-CG 4.31Å; I113-L123 HydrophobicContact CG1-CD2 4.35Å; I113-L123 HydrophobicContact CG2-CG 4.44Å; I113-R124 HydrophobicContact CG2-CB 4.28Å; I113-R124 HydrophobicContact CG2-CG 4.49Å; I113-Y127 HydrophobicContact CB-CD1 4.49Å; I113-Y127 HydrophobicContact CB-CD2 3.61Å; I113-Y127 HydrophobicContact CB-CE2 4Å; I113-Y127 HydrophobicContact CB-CG 3.87Å; I113-Y127 HydrophobicContact CD1-CD2 3.71Å; I113-Y127 HydrophobicContact CD1-CE2 4.22Å; I113-Y127 HydrophobicContact CG1-CD2 4.27Å; I113-Y127 HydrophobicContact CG2-CD1 4.39Å; I113-Y127 HydrophobicContact CG2-CD2 3.93Å; I113-Y127 HydrophobicContact CG2-CG 3.71Å; I113-F162 VanDerWaalsContact C-CD1 3.46Å | ||
| 114 | D | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -73.3 | 134.4 | 169.3 | 61.8 | -73 | 0 | 0 | 0 | 111.6 | S78 S79 L80 L161 F162 | S78-D114 WeakPolarHBondContact CB-OD1 3.42Å; S78-D114 WeakPolarHBondContact CB-OD2 3.38Å; S78-D114 PolarHBondContact OG-OD1 2.95Å; S78-D114 PolarHBondContact OG-OD2 3.39Å; S78-D114 VanDerWaalsContact OG-OD2 3.11Å; S79-D114 PolarHBondContact N-OD2 3.27Å; S79-D114 VanDerWaalsContact N-OD2 3.13Å; S79-D114 PolarHBondContact OG-OD2 3.29Å; L80-D114 HydrophobicContact CD1-CB 3.92Å; L80-D114 HydrophobicContact CG-CB 4.18Å; L80-D114 WeakPolarHBondContact CG-OD2 3.35Å; L80-D114 PolarHBondContact N-OD2 3Å; D114-L161 CarbonylContact C-O 3.57Å; D114-L161 WeakPolarHBondContact CA-O 3.45Å; D114-F162 HydrophobicContact CB-CD2 4.35Å; D114-F162 HydrophobicContact CB-CE1 4.3Å; D114-F162 HydrophobicContact CB-CE2 3.89Å; D114-F162 HydrophobicContact CB-CZ 3.86Å | ||
| 115 | D | 94.5 | Very high | 95.3 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | trans | -149.4 | 116.5 | 173.8 | -174.7 | -18.1 | 0 | 0 | 0 | 107.9 | A117 D121 L123 R124 L161 | D115-A117 PolarHBondContact O-N 3.47Å; D115-A117 VanDerWaalsContact OD1-CB 3.26Å; D115-A117 WeakPolarHBondContact OD1-CB 3.33Å; D115-A117 PolarHBondContact OD1-N 3.41Å; D115-D121 HydrophobicContact CB-CB 4.44Å; D115-D121 WeakPolarHBondContact OD2-CA 3.37Å; D115-D121 WeakPolarHBondContact OD2-CB 3.22Å; D115-L123 HydrophobicContact CB-CB 4.25Å; D115-L123 VanDerWaalsContact OD2-CB 3.28Å; D115-L123 WeakPolarHBondContact OD2-CB 3.37Å; D115-L123 PolarHBondContact OD2-N 2.81Å; D115-R124 HydrophobicContact CB-CB 4.24Å; D115-R124 PolarHBondContact O-NH2 2.88Å; D115-R124 PolarHBondContact OD2-N 2.79Å; D115-L161 PolarHBondContact N-O 2.85Å | ||
| 116 | Q | 90 | Very high | 95.3 | Very high | 93 Ų | 93 | 41.1 Ų | 41.1 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | trans | -72.2 | -7 | -175.2 | -56.4 | -63.3 | -32.2 | 0 | 0 | 112.8 | S79 S118 P160 L161 | S79-Q116 PolarHBondContact OG-NE2 3.15Å; Q116-S118 PolarHBondContact O-N 2.99Å; Q116-P160 VanDerWaalsContact O-CG 3.28Å; Q116-P160 WeakPolarHBondContact O-CG 3.44Å; Q116-P160 PolarHBondContact OE1-O 3.49Å; Q116-L161 VanDerWaalsContact NE2-CD2 3.25Å | ||
| 117 | A | 88.6 | Confident | 95.3 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | trans | -62.9 | 133.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D115 E120 D121 | D115-A117 PolarHBondContact O-N 3.47Å; D115-A117 VanDerWaalsContact OD1-CB 3.26Å; D115-A117 WeakPolarHBondContact OD1-CB 3.33Å; D115-A117 PolarHBondContact OD1-N 3.41Å; A117-E120 VanDerWaalsContact CB-O 3.29Å; A117-E120 WeakPolarHBondContact CB-O 3.4Å; A117-D121 HydrophobicContact CB-CB 4.1Å | ||
| 118 | S | 84.9 | Confident | 95.3 | Very high | 86 Ų | 86 | 39.5 Ų | 39.5 | 60% | 0.601 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -79.4 | -23.6 | 178.7 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | Q116 T166 | Q116-S118 PolarHBondContact O-N 2.99Å; S118-T166 WeakPolarHBondContact O-CG2 3.45Å |
| 119 | F | 88.6 | Confident | 95.2 | Very high | 114 Ų | 114 | 46.4 Ų | 46.4 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -140.6 | -63.9 | 178.9 | -174.3 | -105.6 | 0 | 0 | 0 | 112.8 | D121 A174 A176 | F119-D121 VanDerWaalsContact C-N 3.34Å; F119-D121 PolarHBondContact O-N 2.69Å; F119-A174 WeakPolarHBondContact CD2-O 3.33Å; F119-A174 WeakPolarHBondContact CE2-O 3.37Å; F119-A176 PolarHBondContact O-N 2.86Å |
| 120 | E | 94.2 | Very high | 95.2 | Very high | 105 Ų | 105 | 44.4 Ų | 44.4 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | trans | -80 | 75.8 | -179.8 | -69.1 | -56.7 | 153.7 | 0 | 0 | 112.2 | A117 N122 | A117-E120 VanDerWaalsContact CB-O 3.29Å; A117-E120 WeakPolarHBondContact CB-O 3.4Å; E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 3.03Å; E120-N122 VanDerWaalsContact O-N 3.08Å | ||
| 121 | D | 95.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -86.2 | 65.5 | -176.6 | 58.6 | -14.2 | 0 | 0 | 0 | 113.3 | D115 A117 F119 L123 R124 Q125 K175 A176 S177 | D115-D121 HydrophobicContact CB-CB 4.44Å; D115-D121 WeakPolarHBondContact OD2-CA 3.37Å; D115-D121 WeakPolarHBondContact OD2-CB 3.22Å; A117-D121 HydrophobicContact CB-CB 4.1Å; F119-D121 VanDerWaalsContact C-N 3.34Å; F119-D121 PolarHBondContact O-N 2.69Å; D121-L123 VanDerWaalsContact C-N 3.27Å; D121-L123 PolarHBondContact O-N 2.8Å; D121-R124 HydrophobicContact CB-CB 4.05Å; D121-R124 VanDerWaalsContact CG-NH1 3.34Å; D121-R124 PolarHBondContact O-N 3.03Å; D121-R124 VanDerWaalsContact O-N 3.13Å; D121-R124 WeakPolarHBondContact OD2-CD 3.48Å; D121-R124 IonicContact OD2-CZ 3.94Å; D121-R124 IonicContact OD2-NE 3.41Å; D121-R124 IonicContact OD2-NH1 2.85Å; D121-R124 PolarHBondContact OD2-NH1 3.33Å; D121-Q125 WeakPolarHBondContact O-CG 3.16Å; D121-Q125 PolarHBondContact O-N 3.11Å; D121-K175 HydrophobicContact CB-CD 4.33Å; D121-K175 VanDerWaalsContact OD2-CB 3.3Å; D121-K175 WeakPolarHBondContact OD2-CB 3.19Å; D121-K175 WeakPolarHBondContact OD2-CD 3.37Å; D121-A176 PolarHBondContact OD1-N 3.43Å; D121-S177 WeakPolarHBondContact OD1-CB 3.31Å; D121-S177 PolarHBondContact OD1-N 3.09Å; D121-S177 WeakPolarHBondContact OD2-CB 3.26Å; D121-S177 PolarHBondContact OD2-OG 3.4Å | ||
| 122 | N | 96 | Very high | 95.2 | Very high | 105 Ų | 105 | 44.9 Ų | 44.9 | 56% | 0.561 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -56.8 | -36.7 | -176.6 | -70.5 | -40.3 | 0 | 0 | 0 | 113.5 | E120 Q125 Y126 | E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 3.03Å; E120-N122 VanDerWaalsContact O-N 3.08Å; N122-Q125 PolarHBondContact O-N 2.83Å; N122-Y126 WeakPolarHBondContact O-CB 3.09Å; N122-Y126 PolarHBondContact O-N 2.85Å |
| 123 | L | 96.3 | Very high | 95.2 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.5 | -43.1 | 178.9 | -176.2 | 64.6 | 0 | 0 | 0 | 110.4 | L84 I113 D115 D121 Y126 Y127 | L84-L123 HydrophobicContact CD1-CD1 3.77Å; L84-L123 HydrophobicContact CD2-CD1 3.71Å; L84-L123 HydrophobicContact CG-CD1 4.38Å; I113-L123 HydrophobicContact CD1-CD2 4.22Å; I113-L123 HydrophobicContact CD1-CG 4.31Å; I113-L123 HydrophobicContact CG1-CD2 4.35Å; I113-L123 HydrophobicContact CG2-CG 4.44Å; D115-L123 HydrophobicContact CB-CB 4.25Å; D115-L123 VanDerWaalsContact OD2-CB 3.28Å; D115-L123 WeakPolarHBondContact OD2-CB 3.37Å; D115-L123 PolarHBondContact OD2-N 2.81Å; D121-L123 VanDerWaalsContact C-N 3.27Å; D121-L123 PolarHBondContact O-N 2.8Å; L123-Y126 PolarHBondContact O-N 2.74Å; L123-Y127 WeakPolarHBondContact O-CB 3.46Å; L123-Y127 PolarHBondContact O-N 2.84Å |
| 124 | R | 97.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 175.6 | -170.3 | 174.1 | -61.2 | 99.5 | 6.4 | 111.6 | I113 D115 D121 Y127 L128 L161 | I113-R124 HydrophobicContact CG2-CB 4.28Å; I113-R124 HydrophobicContact CG2-CG 4.49Å; D115-R124 HydrophobicContact CB-CB 4.24Å; D115-R124 PolarHBondContact O-NH2 2.88Å; D115-R124 PolarHBondContact OD2-N 2.79Å; D121-R124 HydrophobicContact CB-CB 4.05Å; D121-R124 VanDerWaalsContact CG-NH1 3.34Å; D121-R124 PolarHBondContact O-N 3.03Å; D121-R124 VanDerWaalsContact O-N 3.13Å; D121-R124 WeakPolarHBondContact OD2-CD 3.48Å; D121-R124 IonicContact OD2-CZ 3.94Å; D121-R124 IonicContact OD2-NE 3.41Å; D121-R124 IonicContact OD2-NH1 2.85Å; D121-R124 PolarHBondContact OD2-NH1 3.33Å; R124-Y127 WeakPolarHBondContact O-CB 3.38Å; R124-Y127 PolarHBondContact O-N 3.46Å; R124-L128 HydrophobicContact CG-CD1 4.44Å; R124-L128 WeakPolarHBondContact O-CG 3.45Å; R124-L128 PolarHBondContact O-N 3.34Å; R124-L161 PolarHBondContact NH2-O 3Å |
| 125 | Q | 97.7 | Very high | 95.4 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.4 | -72.3 | -176.7 | 72.1 | 0 | 0 | 112 | D121 N122 L128 R129 L180 | D121-Q125 WeakPolarHBondContact O-CG 3.16Å; D121-Q125 PolarHBondContact O-N 3.11Å; N122-Q125 PolarHBondContact O-N 2.83Å; Q125-L128 PolarHBondContact O-N 3.38Å; Q125-R129 WeakPolarHBondContact O-CG 3.41Å; Q125-R129 PolarHBondContact O-N 3.27Å; Q125-R129 VanDerWaalsContact O-N 3.07Å; Q125-L180 HydrophobicContact CB-CD2 3.6Å; Q125-L180 HydrophobicContact CG-CD2 3.76Å; Q125-L180 WeakPolarHBondContact O-CD2 3.24Å |
| 126 | Y | 97.7 | Very high | 95.6 | Very high | 132 Ų | 132 | 52.6 Ų | 52.6 | 52% | 0.518 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.9 | 177.7 | -97 | 0 | 0 | 0 | 112.1 | L84 N122 L123 R129 S130 | L84-Y126 HydrophobicContact CD2-CD1 3.59Å; L84-Y126 HydrophobicContact CD2-CE1 3.87Å; N122-Y126 WeakPolarHBondContact O-CB 3.09Å; N122-Y126 PolarHBondContact O-N 2.85Å; L123-Y126 PolarHBondContact O-N 2.74Å; Y126-R129 PolarHBondContact O-N 3Å; Y126-S130 WeakPolarHBondContact O-CB 3.34Å; Y126-S130 PolarHBondContact O-N 3.18Å; Y126-S130 PolarHBondContact O-OG 3.49Å |
| 127 | Y | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.6 | -51 | 175.4 | -176.3 | -83.1 | 0 | 0 | 0 | 111.5 | F42 L84 S111 G112 I113 L123 R124 R129 S130 Y131 | F42-Y127 PolarHBondContact O-OH 2.97Å; L84-Y127 HydrophobicContact CD2-CD2 4.34Å; S111-Y127 PolarHBondContact OG-OH 2.7Å; G112-Y127 VanDerWaalsContact CA-CE1 3.4Å; G112-Y127 PolarHBondContact N-OH 3.26Å; G112-Y127 VanDerWaalsContact O-CZ 3.23Å; G112-Y127 PolarHBondContact O-OH 2.8Å; I113-Y127 HydrophobicContact CB-CD1 4.49Å; I113-Y127 HydrophobicContact CB-CD2 3.61Å; I113-Y127 HydrophobicContact CB-CE2 4Å; I113-Y127 HydrophobicContact CB-CG 3.87Å; I113-Y127 HydrophobicContact CD1-CD2 3.71Å; I113-Y127 HydrophobicContact CD1-CE2 4.22Å; I113-Y127 HydrophobicContact CG1-CD2 4.27Å; I113-Y127 HydrophobicContact CG2-CD1 4.39Å; I113-Y127 HydrophobicContact CG2-CD2 3.93Å; I113-Y127 HydrophobicContact CG2-CG 3.71Å; L123-Y127 WeakPolarHBondContact O-CB 3.46Å; L123-Y127 PolarHBondContact O-N 2.84Å; R124-Y127 WeakPolarHBondContact O-CB 3.38Å; R124-Y127 PolarHBondContact O-N 3.46Å; Y127-R129 PolarHBondContact O-N 3.5Å; Y127-S130 PolarHBondContact O-N 2.96Å; Y127-S130 PolarHBondContact O-OG 3.31Å; Y127-Y131 HydrophobicContact CD1-CD2 4.16Å; Y127-Y131 HydrophobicContact CD1-CG 4.24Å; Y127-Y131 AromaticContact CD2-CD2 3.7Å; Y127-Y131 HydrophobicContact CD2-CD2 3.7Å; Y127-Y131 AromaticContact CD2-CE2 3.45Å; Y127-Y131 HydrophobicContact CD2-CE2 3.45Å; Y127-Y131 VanDerWaalsContact CD2-CE2 3.45Å; Y127-Y131 HydrophobicContact CD2-CG 4.41Å; Y127-Y131 AromaticContact CD2-CZ 3.96Å; Y127-Y131 AromaticContact CE1-CD1 3.97Å; Y127-Y131 HydrophobicContact CE1-CD1 3.97Å; Y127-Y131 HydrophobicContact CE1-CD2 4.08Å; Y127-Y131 HydrophobicContact CE1-CE1 4.35Å; Y127-Y131 HydrophobicContact CE1-CE2 4.47Å; Y127-Y131 AromaticContact CE1-CG 3.83Å; Y127-Y131 HydrophobicContact CE1-CG 3.83Å; Y127-Y131 HydrophobicContact CE2-CD1 4.06Å; Y127-Y131 AromaticContact CE2-CD2 3.66Å; Y127-Y131 HydrophobicContact CE2-CD2 3.66Å; Y127-Y131 AromaticContact CE2-CE1 3.66Å; Y127-Y131 HydrophobicContact CE2-CE1 3.66Å; Y127-Y131 AromaticContact CE2-CE2 3.24Å; Y127-Y131 HydrophobicContact CE2-CE2 3.24Å; Y127-Y131 HydrophobicContact CE2-CG 4.06Å; Y127-Y131 AromaticContact CE2-CZ 3.22Å; Y127-Y131 AromaticContact CG-CD2 3.97Å; Y127-Y131 HydrophobicContact CG-CD2 3.97Å; Y127-Y131 HydrophobicContact CG-CE2 4.2Å; Y127-Y131 AromaticContact CZ-CD1 3.56Å; Y127-Y131 AromaticContact CZ-CD2 3.85Å; Y127-Y131 AromaticContact CZ-CE1 3.48Å; Y127-Y131 VanDerWaalsContact CZ-CE1 3.48Å; Y127-Y131 AromaticContact CZ-CE2 3.8Å; Y127-Y131 AromaticContact CZ-CG 3.75Å; Y127-Y131 AromaticContact CZ-CZ 3.61Å; Y127-Y131 WeakPolarHBondContact O-CB 3.26Å; Y127-Y131 WeakPolarHBondContact O-CD2 3.45Å; Y127-Y131 PolarHBondContact O-N 3.36Å; Y127-Y131 WeakPolarHBondContact OH-CD1 3.2Å; Y127-Y131 WeakPolarHBondContact OH-CE1 3.45Å |
| 128 | L | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -49.2 | -179.7 | -72.3 | 176.1 | 0 | 0 | 0 | 111.7 | R124 Q125 L132 V151 L164 | R124-L128 HydrophobicContact CG-CD1 4.44Å; R124-L128 WeakPolarHBondContact O-CG 3.45Å; R124-L128 PolarHBondContact O-N 3.34Å; Q125-L128 PolarHBondContact O-N 3.38Å; L128-L132 WeakPolarHBondContact O-CB 3.34Å; L128-L132 WeakPolarHBondContact O-CD1 3.48Å; L128-L132 VanDerWaalsContact O-CG 3.32Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 2.84Å; L128-V151 HydrophobicContact CD2-CB 4.34Å; L128-V151 HydrophobicContact CD2-CG1 3.88Å; L128-V151 HydrophobicContact CD2-CG2 3.44Å; L128-V151 VanDerWaalsContact CD2-CG2 3.44Å; L128-L164 HydrophobicContact CD1-CD2 4.31Å |
| 129 | R | 97.5 | Very high | 97 | Very high | 144 Ų | 144 | 51.3 Ų | 51.3 | 54% | 0.543 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58 | -53.3 | 178.2 | -72.7 | 176.8 | -178.6 | -177.8 | -0.7 | 111.2 | Q125 Y126 Y127 Q133 L180 | Q125-R129 WeakPolarHBondContact O-CG 3.41Å; Q125-R129 PolarHBondContact O-N 3.27Å; Q125-R129 VanDerWaalsContact O-N 3.07Å; Y126-R129 PolarHBondContact O-N 3Å; Y127-R129 PolarHBondContact O-N 3.5Å; R129-Q133 WeakPolarHBondContact O-CB 3.36Å; R129-Q133 PolarHBondContact O-N 2.95Å; R129-L180 HydrophobicContact CG-CD1 4.11Å; R129-L180 HydrophobicContact CG-CD2 3.97Å; R129-L180 VanDerWaalsContact NE-CD1 3.31Å |
| 130 | S | 98.1 | Very high | 97.4 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.3 | -42.7 | -173 | 58.6 | 0 | 0 | 0 | 0 | 113 | P86 Y126 Y127 Q133 E134 | P86-S130 WeakPolarHBondContact CG-OG 3.49Å; Y126-S130 WeakPolarHBondContact O-CB 3.34Å; Y126-S130 PolarHBondContact O-N 3.18Å; Y126-S130 PolarHBondContact O-OG 3.49Å; Y127-S130 PolarHBondContact O-N 2.96Å; Y127-S130 PolarHBondContact O-OG 3.31Å; S130-Q133 PolarHBondContact O-N 3.49Å; S130-E134 WeakPolarHBondContact O-CG 3.32Å; S130-E134 PolarHBondContact O-N 3.47Å; S130-E134 VanDerWaalsContact O-N 3.1Å |
| 131 | Y | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.6 | -42.1 | 179.3 | -83.9 | -117.8 | 0 | 0 | 0 | 112 | H41 F42 V85 P86 L89 Y127 Q133 E134 A135 | H41-Y131 AromaticContact CE1-CE1 3.75Å; H41-Y131 AromaticContact ND1-CE1 3.72Å; F42-Y131 PolarHBondContact O-OH 3.44Å; V85-Y131 PolarHBondContact N-OH 3.4Å; V85-Y131 VanDerWaalsContact N-OH 3.17Å; P86-Y131 HydrophobicContact CB-CD2 3.78Å; P86-Y131 HydrophobicContact CB-CE2 3.92Å; P86-Y131 HydrophobicContact CB-CG 4.43Å; P86-Y131 HydrophobicContact CG-CD2 3.85Å; P86-Y131 HydrophobicContact CG-CE2 3.7Å; L89-Y131 HydrophobicContact CB-CD1 4.08Å; L89-Y131 HydrophobicContact CB-CE1 4.38Å; L89-Y131 HydrophobicContact CD2-CD1 4.01Å; L89-Y131 WeakPolarHBondContact CD2-O 3.18Å; Y127-Y131 HydrophobicContact CD1-CD2 4.16Å; Y127-Y131 HydrophobicContact CD1-CG 4.24Å; Y127-Y131 AromaticContact CD2-CD2 3.7Å; Y127-Y131 HydrophobicContact CD2-CD2 3.7Å; Y127-Y131 AromaticContact CD2-CE2 3.45Å; Y127-Y131 HydrophobicContact CD2-CE2 3.45Å; Y127-Y131 VanDerWaalsContact CD2-CE2 3.45Å; Y127-Y131 HydrophobicContact CD2-CG 4.41Å; Y127-Y131 AromaticContact CD2-CZ 3.96Å; Y127-Y131 AromaticContact CE1-CD1 3.97Å; Y127-Y131 HydrophobicContact CE1-CD1 3.97Å; Y127-Y131 HydrophobicContact CE1-CD2 4.08Å; Y127-Y131 HydrophobicContact CE1-CE1 4.35Å; Y127-Y131 HydrophobicContact CE1-CE2 4.47Å; Y127-Y131 AromaticContact CE1-CG 3.83Å; Y127-Y131 HydrophobicContact CE1-CG 3.83Å; Y127-Y131 HydrophobicContact CE2-CD1 4.06Å; Y127-Y131 AromaticContact CE2-CD2 3.66Å; Y127-Y131 HydrophobicContact CE2-CD2 3.66Å; Y127-Y131 AromaticContact CE2-CE1 3.66Å; Y127-Y131 HydrophobicContact CE2-CE1 3.66Å; Y127-Y131 AromaticContact CE2-CE2 3.24Å; Y127-Y131 HydrophobicContact CE2-CE2 3.24Å; Y127-Y131 HydrophobicContact CE2-CG 4.06Å; Y127-Y131 AromaticContact CE2-CZ 3.22Å; Y127-Y131 AromaticContact CG-CD2 3.97Å; Y127-Y131 HydrophobicContact CG-CD2 3.97Å; Y127-Y131 HydrophobicContact CG-CE2 4.2Å; Y127-Y131 AromaticContact CZ-CD1 3.56Å; Y127-Y131 AromaticContact CZ-CD2 3.85Å; Y127-Y131 AromaticContact CZ-CE1 3.48Å; Y127-Y131 VanDerWaalsContact CZ-CE1 3.48Å; Y127-Y131 AromaticContact CZ-CE2 3.8Å; Y127-Y131 AromaticContact CZ-CG 3.75Å; Y127-Y131 AromaticContact CZ-CZ 3.61Å; Y127-Y131 WeakPolarHBondContact O-CB 3.26Å; Y127-Y131 WeakPolarHBondContact O-CD2 3.45Å; Y127-Y131 PolarHBondContact O-N 3.36Å; Y127-Y131 WeakPolarHBondContact OH-CD1 3.2Å; Y127-Y131 WeakPolarHBondContact OH-CE1 3.45Å; Y131-Q133 VanDerWaalsContact C-N 3.31Å; Y131-Q133 PolarHBondContact O-N 2.98Å; Y131-E134 PolarHBondContact O-N 3.02Å; Y131-A135 WeakPolarHBondContact O-CB 3.42Å; Y131-A135 PolarHBondContact O-N 3.46Å |
| 132 | L | 98 | Very high | 97.7 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 175.4 | -72.5 | 166.2 | 0 | 0 | 0 | 111.1 | L128 E134 A135 L136 F149 Y181 I184 | L128-L132 WeakPolarHBondContact O-CB 3.34Å; L128-L132 WeakPolarHBondContact O-CD1 3.48Å; L128-L132 VanDerWaalsContact O-CG 3.32Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 2.84Å; L132-E134 VanDerWaalsContact C-N 3.34Å; L132-E134 PolarHBondContact O-N 3.4Å; L132-A135 WeakPolarHBondContact O-CB 3.35Å; L132-A135 PolarHBondContact O-N 2.96Å; L132-L136 WeakPolarHBondContact O-CD1 3.48Å; L132-L136 PolarHBondContact O-N 3.48Å; L132-F149 HydrophobicContact CD2-CB 4.07Å; L132-F149 HydrophobicContact CD2-CD1 3.53Å; L132-F149 HydrophobicContact CD2-CD2 3.95Å; L132-F149 HydrophobicContact CD2-CE1 3.86Å; L132-F149 HydrophobicContact CD2-CE2 4.24Å; L132-F149 HydrophobicContact CD2-CG 3.57Å; L132-F149 HydrophobicContact CD2-CZ 4.19Å; L132-F149 HydrophobicContact CG-CD1 4.46Å; L132-F149 HydrophobicContact CG-CE1 4.35Å; L132-Y181 HydrophobicContact CD1-CD2 4.22Å; L132-Y181 HydrophobicContact CD1-CE2 4.11Å; L132-I184 HydrophobicContact CD1-CD1 4.01Å; L132-I184 HydrophobicContact CD1-CG2 4Å |
| 133 | Q | 97.8 | Very high | 97.7 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 52% | 0.523 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 174 | -173.2 | 179.5 | 6.4 | 0 | 0 | 112.1 | R129 S130 Y131 L136 K137 | R129-Q133 WeakPolarHBondContact O-CB 3.36Å; R129-Q133 PolarHBondContact O-N 2.95Å; S130-Q133 PolarHBondContact O-N 3.49Å; Y131-Q133 VanDerWaalsContact C-N 3.31Å; Y131-Q133 PolarHBondContact O-N 2.98Å; Q133-L136 PolarHBondContact O-N 2.81Å; Q133-K137 WeakPolarHBondContact O-CG 3.44Å; Q133-K137 PolarHBondContact O-N 3.2Å |
| 134 | E | 98.6 | Very high | 97.8 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.9 | -32.6 | 175.3 | -71 | -58.7 | 135.4 | 0 | 0 | 112.7 | P86 R90 S130 Y131 L132 K137 A138 | P86-E134 HydrophobicContact CB-CG 3.83Å; R90-E134 HydrophobicContact CB-CB 4.13Å; R90-E134 WeakPolarHBondContact CD-OE2 3.47Å; S130-E134 WeakPolarHBondContact O-CG 3.32Å; S130-E134 PolarHBondContact O-N 3.47Å; S130-E134 VanDerWaalsContact O-N 3.1Å; Y131-E134 PolarHBondContact O-N 3.02Å; L132-E134 VanDerWaalsContact C-N 3.34Å; L132-E134 PolarHBondContact O-N 3.4Å; E134-K137 PolarHBondContact O-N 3.25Å; E134-K137 WeakPolarHBondContact OE1-CD 3.29Å; E134-K137 IonicContact OE1-NZ 3.45Å; E134-K137 PolarHBondContact OE1-NZ 3Å; E134-A138 PolarHBondContact O-N 3.09Å |
| 135 | A | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | L89 L93 Y131 L132 K137 A138 Y139 L146 F149 | L89-A135 HydrophobicContact CD2-CB 4.02Å; L93-A135 HydrophobicContact CD1-CB 4.43Å; Y131-A135 WeakPolarHBondContact O-CB 3.42Å; Y131-A135 PolarHBondContact O-N 3.46Å; L132-A135 WeakPolarHBondContact O-CB 3.35Å; L132-A135 PolarHBondContact O-N 2.96Å; A135-K137 VanDerWaalsContact C-N 3.34Å; A135-K137 PolarHBondContact O-N 3.32Å; A135-A138 WeakPolarHBondContact O-CB 3.2Å; A135-A138 PolarHBondContact O-N 2.95Å; A135-Y139 PolarHBondContact O-N 3.11Å; A135-L146 HydrophobicContact CB-CD2 3.84Å; A135-F149 HydrophobicContact CB-CD2 4.24Å; A135-F149 HydrophobicContact CB-CE2 4.41Å |
| 136 | L | 97.3 | Very high | 97.8 | Very high | 47 Ų | 47 | 51 Ų | 51 | 25% | 0.246 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 174 | -93 | 93.2 | 0 | 0 | 0 | 111.6 | L132 Q133 A138 Y139 H140 G189 | L132-L136 WeakPolarHBondContact O-CD1 3.48Å; L132-L136 PolarHBondContact O-N 3.48Å; Q133-L136 PolarHBondContact O-N 2.81Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.07Å; L136-Y139 PolarHBondContact O-N 2.95Å; L136-H140 WeakPolarHBondContact O-CB 3.01Å; L136-H140 PolarHBondContact O-CD2 3.43Å; L136-H140 PolarHBondContact O-N 3.31Å; L136-G189 WeakPolarHBondContact CD2-O 2.85Å |
| 137 | K | 98.3 | Very high | 97.8 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 26% | 0.261 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 173.2 | -72.3 | 172.4 | -172.2 | 169.5 | 0 | 111.5 | Q133 E134 A135 Y139 L141 D142 | Q133-K137 WeakPolarHBondContact O-CG 3.44Å; Q133-K137 PolarHBondContact O-N 3.2Å; E134-K137 PolarHBondContact O-N 3.25Å; E134-K137 WeakPolarHBondContact OE1-CD 3.29Å; E134-K137 IonicContact OE1-NZ 3.45Å; E134-K137 PolarHBondContact OE1-NZ 3Å; A135-K137 VanDerWaalsContact C-N 3.34Å; A135-K137 PolarHBondContact O-N 3.32Å; K137-Y139 VanDerWaalsContact C-N 3.31Å; K137-Y139 PolarHBondContact O-N 2.87Å; K137-L141 HydrophobicContact CB-CD1 4.1Å; K137-L141 HydrophobicContact CG-CD1 3.98Å; K137-L141 WeakPolarHBondContact O-CA 3.41Å; K137-L141 WeakPolarHBondContact O-CB 3.5Å; K137-L141 PolarHBondContact O-N 2.71Å; K137-D142 PolarHBondContact O-N 3.38Å |
| 138 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R90 L93 E134 A135 L136 D142 G143 V144 | R90-A138 HydrophobicContact CG-CB 4.12Å; L93-A138 HydrophobicContact CB-CB 4.14Å; L93-A138 HydrophobicContact CD1-CB 3.82Å; E134-A138 PolarHBondContact O-N 3.09Å; A135-A138 WeakPolarHBondContact O-CB 3.2Å; A135-A138 PolarHBondContact O-N 2.95Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.07Å; A138-D142 CarbonylContact O-C 3.51Å; A138-D142 WeakPolarHBondContact O-CB 3.23Å; A138-D142 PolarHBondContact O-N 3.13Å; A138-G143 PolarHBondContact O-N 2.89Å; A138-V144 HydrophobicContact CB-CB 4.29Å; A138-V144 HydrophobicContact CB-CG2 4.1Å; A138-V144 WeakPolarHBondContact O-CB 3.32Å; A138-V144 WeakPolarHBondContact O-CG2 3.44Å; A138-V144 PolarHBondContact O-N 2.85Å |
| 139 | Y | 97.1 | Very high | 97.7 | Very high | 118 Ų | 118 | 52.8 Ų | 52.8 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.1 | -57.9 | 176.7 | 178.4 | -103.6 | 0 | 0 | 0 | 112.3 | A135 L136 K137 G143 L146 | A135-Y139 PolarHBondContact O-N 3.11Å; L136-Y139 PolarHBondContact O-N 2.95Å; K137-Y139 VanDerWaalsContact C-N 3.31Å; K137-Y139 PolarHBondContact O-N 2.87Å; Y139-G143 PolarHBondContact O-N 3.15Å; Y139-L146 HydrophobicContact CD2-CB 4.38Å |
| 140 | H | 96.8 | Very high | 97.8 | Very high | 122 Ų | 122 | 52.7 Ų | 52.7 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -77.6 | -38.2 | -172.4 | -72.7 | -64.2 | 0 | 0 | 0 | 114.4 | L136 | L136-H140 WeakPolarHBondContact O-CB 3.01Å; L136-H140 PolarHBondContact O-CD2 3.43Å; L136-H140 PolarHBondContact O-N 3.31Å |
| 141 | L | 97.8 | Very high | 97.7 | Very high | 119 Ų | 119 | 53.2 Ų | 53.2 | 62% | 0.623 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -32.7 | -171.6 | -51.9 | -179.5 | 0 | 0 | 0 | 113 | K137 | K137-L141 HydrophobicContact CB-CD1 4.1Å; K137-L141 HydrophobicContact CG-CD1 3.98Å; K137-L141 WeakPolarHBondContact O-CA 3.41Å; K137-L141 WeakPolarHBondContact O-CB 3.5Å; K137-L141 PolarHBondContact O-N 2.71Å |
| 142 | D | 97.8 | Very high | 97.6 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 23% | 0.225 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -4.5 | -178.1 | -55.9 | -38.1 | 0 | 0 | 0 | 113.5 | R90 K137 A138 V144 | R90-D142 WeakPolarHBondContact CG-OD2 3.36Å; R90-D142 IonicContact CZ-OD1 3.32Å; R90-D142 IonicContact CZ-OD2 2.78Å; R90-D142 IonicContact NE-OD1 2.66Å; R90-D142 IonicContact NE-OD2 3.47Å; R90-D142 PolarHBondContact NE-OD2 3.37Å; R90-D142 IonicContact NH2-OD1 3.5Å; R90-D142 PolarHBondContact NH2-OD1 2.98Å; R90-D142 IonicContact NH2-OD2 3.54Å; R90-D142 PolarHBondContact NH2-OD2 3.41Å; K137-D142 PolarHBondContact O-N 3.38Å; A138-D142 CarbonylContact O-C 3.51Å; A138-D142 WeakPolarHBondContact O-CB 3.23Å; A138-D142 PolarHBondContact O-N 3.13Å; D142-V144 VanDerWaalsContact C-N 3.28Å; D142-V144 HydrophobicContact CB-CG2 4.17Å; D142-V144 PolarHBondContact O-N 2.89Å |
| 143 | G | 96.8 | Very high | 97.4 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 55% | 0.546 | 30% | 0.3 | S | S | . | . | trans | 64.2 | 32.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A138 Y139 | A138-G143 PolarHBondContact O-N 2.89Å; Y139-G143 PolarHBondContact O-N 3.15Å | ||
| 144 | V | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | trans | -73.4 | 131.4 | 174.2 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | L93 N97 I106 A138 D142 L146 | L93-V144 HydrophobicContact CB-CG1 4.3Å; L93-V144 HydrophobicContact CB-CG2 4.48Å; N97-V144 HydrophobicContact CB-CG1 4.15Å; N97-V144 HydrophobicContact CB-CG2 4.06Å; I106-V144 HydrophobicContact CD1-CG1 3.87Å; A138-V144 HydrophobicContact CB-CB 4.29Å; A138-V144 HydrophobicContact CB-CG2 4.1Å; A138-V144 WeakPolarHBondContact O-CB 3.32Å; A138-V144 WeakPolarHBondContact O-CG2 3.44Å; A138-V144 PolarHBondContact O-N 2.85Å; D142-V144 VanDerWaalsContact C-N 3.28Å; D142-V144 HydrophobicContact CB-CG2 4.17Å; D142-V144 PolarHBondContact O-N 2.89Å; V144-L146 HydrophobicContact CG1-CB 4.24Å; V144-L146 PolarHBondContact O-N 2.87Å | ||
| 145 | N | 97.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 63.5 Ų | 63.5 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | trans | -74.1 | 59.3 | 174.4 | -170.7 | 8.9 | 0 | 0 | 0 | 111.7 | T103 I106 Q147 | T103-N145 PolarHBondContact O-ND2 3.35Å; I106-N145 PolarHBondContact N-O 2.76Å; N145-Q147 PolarHBondContact OD1-NE2 3.5Å | ||
| 146 | L | 97.9 | Very high | 96.4 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 12% | 0.12 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 119.1 | 178.2 | -178.2 | 68.5 | 0 | 0 | 0 | 109.6 | L93 I106 V108 A135 Y139 V144 | L93-L146 HydrophobicContact CD1-CD2 4.37Å; L93-L146 HydrophobicContact CD2-CD1 4.12Å; I106-L146 HydrophobicContact CG2-CD1 4.49Å; I106-L146 WeakPolarHBondContact O-CA 3.39Å; V108-L146 HydrophobicContact CG2-CD1 4.02Å; A135-L146 HydrophobicContact CB-CD2 3.84Å; Y139-L146 HydrophobicContact CD2-CB 4.38Å; V144-L146 HydrophobicContact CG1-CB 4.24Å; V144-L146 PolarHBondContact O-N 2.87Å |
| 147 | Q | 97.3 | Very high | 95.5 | Very high | 123 Ų | 123 | 71.1 Ų | 71.1 | 58% | 0.575 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -8.2 | -175.4 | -67 | -64.8 | -17.2 | 0 | 0 | 113.9 | P105 I106 I107 N145 | P105-Q147 HydrophobicContact CB-CB 4.43Å; P105-Q147 HydrophobicContact CB-CG 3.82Å; I106-Q147 PolarHBondContact O-N 2.97Å; I107-Q147 HydrophobicContact CG1-CB 4.33Å; N145-Q147 PolarHBondContact OD1-NE2 3.5Å |
| 148 | G | 96.5 | Very high | 94.2 | Very high | 19 Ų | 19 | 76.1 Ų | 76.1 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | 156.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V108 | V108-G148 PolarHBondContact N-O 3.47Å |
| 149 | F | 98 | Very high | 92.7 | Very high | 29 Ų | 29 | 78.3 Ų | 78.3 | 13% | 0.127 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 120.4 | 176.7 | -166.6 | -75.5 | 0 | 0 | 0 | 110.4 | L89 V108 L132 A135 V151 Y181 | L89-F149 HydrophobicContact CD2-CE2 3.76Å; V108-F149 HydrophobicContact CB-CD2 3.67Å; V108-F149 HydrophobicContact CB-CE2 4.1Å; V108-F149 HydrophobicContact CB-CG 4.18Å; V108-F149 HydrophobicContact CG1-CD2 3.82Å; V108-F149 HydrophobicContact CG1-CE2 3.75Å; V108-F149 HydrophobicContact CG1-CG 4.36Å; V108-F149 HydrophobicContact CG1-CZ 4.23Å; V108-F149 HydrophobicContact CG2-CD2 3.93Å; V108-F149 HydrophobicContact CG2-CE2 4.26Å; V108-F149 CarbonylContact O-C 3.55Å; V108-F149 WeakPolarHBondContact O-CA 3.28Å; L132-F149 HydrophobicContact CD2-CB 4.07Å; L132-F149 HydrophobicContact CD2-CD1 3.53Å; L132-F149 HydrophobicContact CD2-CD2 3.95Å; L132-F149 HydrophobicContact CD2-CE1 3.86Å; L132-F149 HydrophobicContact CD2-CE2 4.24Å; L132-F149 HydrophobicContact CD2-CG 3.57Å; L132-F149 HydrophobicContact CD2-CZ 4.19Å; L132-F149 HydrophobicContact CG-CD1 4.46Å; L132-F149 HydrophobicContact CG-CE1 4.35Å; A135-F149 HydrophobicContact CB-CD2 4.24Å; A135-F149 HydrophobicContact CB-CE2 4.41Å; F149-V151 HydrophobicContact CD1-CG2 4.31Å; F149-V151 HydrophobicContact CE1-CG2 4.1Å; F149-Y181 PolarHBondContact O-OH 3.4Å |
| 150 | Y | 97.9 | Very high | 91.7 | Very high | 142 Ų | 142 | 74.2 Ų | 74.2 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.1 | -178.6 | -71.3 | -100 | 0 | 0 | 0 | 110 | I107 V108 T109 A110 S111 | I107-Y150 HydrophobicContact CG2-CD2 3.86Å; I107-Y150 HydrophobicContact CG2-CE2 3.74Å; V108-Y150 PolarHBondContact O-N 3.29Å; T109-Y150 WeakPolarHBondContact O-CB 3.46Å; A110-Y150 WeakPolarHBondContact CA-O 3.45Å; S111-Y150 PolarHBondContact N-O 2.93Å; S111-Y150 VanDerWaalsContact N-O 3.17Å |
| 151 | V | 97.4 | Very high | 91.2 | Very high | 23 Ų | 23 | 71.2 Ų | 71.2 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 128.2 | 176.9 | 176 | 0 | 0 | 0 | 0 | 110.3 | S111 L128 F149 L164 Y181 | S111-V151 CarbonylContact O-C 3.11Å; S111-V151 WeakPolarHBondContact O-CA 3.35Å; L128-V151 HydrophobicContact CD2-CB 4.34Å; L128-V151 HydrophobicContact CD2-CG1 3.88Å; L128-V151 HydrophobicContact CD2-CG2 3.44Å; L128-V151 VanDerWaalsContact CD2-CG2 3.44Å; F149-V151 HydrophobicContact CD1-CG2 4.31Å; F149-V151 HydrophobicContact CE1-CG2 4.1Å; V151-L164 HydrophobicContact CB-CD1 4.49Å; V151-L164 HydrophobicContact CG1-CD1 4.13Å; V151-L164 HydrophobicContact CG1-CD2 4.2Å; V151-L164 HydrophobicContact CG1-CG 4.24Å; V151-Y181 HydrophobicContact CB-CE1 4.27Å; V151-Y181 HydrophobicContact CG2-CD1 4.37Å; V151-Y181 HydrophobicContact CG2-CD2 4.22Å; V151-Y181 HydrophobicContact CG2-CE1 3.85Å; V151-Y181 HydrophobicContact CG2-CE2 3.7Å; V151-Y181 VanDerWaalsContact CG2-CZ 3.5Å |
| 152 | W | 96.1 | Very high | 91.1 | Very high | 118 Ų | 118 | 67.4 Ų | 67.4 | 45% | 0.447 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -94.5 | 111.8 | 170.7 | -176.5 | -94.7 | 0 | 0 | 0 | 109.6 | F42 A110 S111 F162 | F42-W152 HydrophobicContact CE1-CB 3.89Å; F42-W152 AromaticContact CE1-CD1 3.74Å; F42-W152 AromaticContact CE1-CG 3.97Å; F42-W152 HydrophobicContact CE1-CG 3.97Å; F42-W152 HydrophobicContact CZ-CB 3.97Å; F42-W152 AromaticContact CZ-CD1 3.99Å; F42-W152 AromaticContact CZ-CG 3.94Å; F42-W152 HydrophobicContact CZ-CG 3.94Å; A110-W152 HydrophobicContact CB-CB 4.04Å; A110-W152 HydrophobicContact CB-CE3 4.39Å; S111-W152 PolarHBondContact O-N 3.32Å; W152-F162 AromaticContact CD1-CD1 3.9Å |
| 153 | K | 93.8 | Very high | 90.9 | Very high | 73 Ų | 73 | 65.4 Ų | 65.4 | 32% | 0.317 | 32% | 0.323 | S | S | . | . | cis | -140.6 | 170.6 | 3.4 | 62.2 | -176 | -64.9 | -168.1 | 0 | 111.5 | Q155 F162 G163 L164 | K153-Q155 WeakPolarHBondContact CE-O 3.48Å; K153-F162 HydrophobicContact CD-CB 4.35Å; K153-F162 HydrophobicContact CG-CB 3.98Å; K153-F162 PolarHBondContact N-O 2.83Å; K153-F162 VanDerWaalsContact N-O 3.12Å; K153-G163 CarbonylContact O-C 3.53Å; K153-G163 VanDerWaalsContact O-CA 3.26Å; K153-G163 WeakPolarHBondContact O-CA 3.46Å; K153-L164 PolarHBondContact O-N 2.9Å | ||
| 154 | L | 94.1 | Very high | 90.9 | Very high | 115 Ų | 115 | 63.4 Ų | 63.4 | 60% | 0.602 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -58.2 | -55.9 | -179.7 | -175.9 | 63.1 | 0 | 0 | 0 | 111.5 | L164 F165 | L154-L164 PolarHBondContact O-N 3.19Å; L154-F165 HydrophobicContact CD1-CD2 3.85Å; L154-F165 HydrophobicContact CD1-CE2 3.75Å; L154-F165 HydrophobicContact CG-CD2 4.4Å; L154-F165 VanDerWaalsContact O-CD2 3.31Å; L154-F165 WeakPolarHBondContact O-CD2 3.33Å; L154-F165 PolarHBondContact O-N 3.1Å |
| 155 | Q | 91.6 | Very high | 90.7 | Very high | 62 Ų | 62 | 65.8 Ų | 65.8 | 29% | 0.29 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -141 | 137.1 | -168.8 | -176.7 | 163.9 | -25.5 | 0 | 0 | 112.7 | K153 F165 S167 S172 | K153-Q155 WeakPolarHBondContact CE-O 3.48Å; Q155-F165 WeakPolarHBondContact CA-O 3.44Å; Q155-F165 HydrophobicContact CB-CB 4.18Å; Q155-F165 HydrophobicContact CG-CB 4.11Å; Q155-S167 PolarHBondContact NE2-OG 3.26Å; Q155-S172 PolarHBondContact NE2-OG 3.44Å; Q155-S172 PolarHBondContact OE1-OG 3.44Å |
| 156 | D | 87.2 | Confident | 90.4 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | trans | -78.8 | 150.3 | 168.5 | -71.2 | -43.9 | 0 | 0 | 0 | 110.3 | A159 P160 L161 F162 G163 F165 S167 K175 | D156-A159 WeakPolarHBondContact CB-O 3.37Å; D156-P160 VanDerWaalsContact OD2-CA 3.24Å; D156-P160 WeakPolarHBondContact OD2-CA 3.36Å; D156-L161 VanDerWaalsContact CG-N 3.26Å; D156-L161 PolarHBondContact OD1-N 3.06Å; D156-L161 PolarHBondContact OD2-N 3.46Å; D156-F162 PolarHBondContact OD1-N 3.33Å; D156-G163 VanDerWaalsContact CG-CA 3.46Å; D156-G163 WeakPolarHBondContact OD1-CA 3.47Å; D156-G163 PolarHBondContact OD1-N 3.19Å; D156-G163 VanDerWaalsContact OD2-CA 3.31Å; D156-G163 WeakPolarHBondContact OD2-CA 3.35Å; D156-G163 PolarHBondContact OD2-N 3.17Å; D156-F165 PolarHBondContact N-O 2.89Å; D156-S167 WeakPolarHBondContact O-CB 3.35Å; D156-S167 PolarHBondContact O-N 3.47Å; D156-K175 IonicContact OD2-NZ 3.67Å; D156-K175 PolarHBondContact OD2-NZ 2.76Å | ||
| 157 | R | 78.3 | Confident | 89.8 | Confident | 200 Ų | 200 | 64.6 Ų | 64.6 | 76% | 0.755 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -100.4 | -45.4 | 179.5 | -161.8 | 178 | -166.8 | 179.2 | 3.2 | 113.7 | ||
| 158 | H | 71.2 | Confident | 88.9 | Confident | 166 Ų | 166 | 62.1 Ų | 62.1 | 77% | 0.769 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -117 | -48.9 | -173.2 | -61 | -65.7 | 0 | 0 | 0 | 112.6 | ||
| 159 | A | 68.1 | Low | 87.9 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -130.4 | 147.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D156 L161 | D156-A159 WeakPolarHBondContact CB-O 3.37Å; A159-L161 PolarHBondContact O-N 3.37Å |
| 160 | P | 74.8 | Confident | 86.9 | Confident | 31 Ų | 31 | 77 Ų | 77 | 20% | 0.201 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -62.7 | 109.7 | 174.9 | 26.3 | -32.5 | 0 | 0 | 0 | 109.6 | Q116 D156 T166 | Q116-P160 VanDerWaalsContact O-CG 3.28Å; Q116-P160 WeakPolarHBondContact O-CG 3.44Å; Q116-P160 PolarHBondContact OE1-O 3.49Å; D156-P160 VanDerWaalsContact OD2-CA 3.24Å; D156-P160 WeakPolarHBondContact OD2-CA 3.36Å; P160-T166 HydrophobicContact CB-CG2 4.35Å |
| 161 | L | 88.1 | Confident | 86.2 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 31% | 0.314 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -127.8 | -76.6 | 178.6 | -76 | 169.2 | 0 | 0 | 0 | 109.1 | L80 D114 D115 Q116 R124 D156 A159 | L80-L161 HydrophobicContact CD1-CD2 4.23Å; D114-L161 CarbonylContact C-O 3.57Å; D114-L161 WeakPolarHBondContact CA-O 3.45Å; D115-L161 PolarHBondContact N-O 2.85Å; Q116-L161 VanDerWaalsContact NE2-CD2 3.25Å; R124-L161 PolarHBondContact NH2-O 3Å; D156-L161 VanDerWaalsContact CG-N 3.26Å; D156-L161 PolarHBondContact OD1-N 3.06Å; D156-L161 PolarHBondContact OD2-N 3.46Å; A159-L161 PolarHBondContact O-N 3.37Å |
| 162 | F | 93.9 | Very high | 85.8 | Confident | 39 Ų | 39 | 77.6 Ų | 77.6 | 17% | 0.171 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -113 | -13.8 | -174.4 | -75.1 | -91.1 | 0 | 0 | 0 | 113.2 | L80 I113 D114 W152 K153 D156 | L80-F162 HydrophobicContact CD1-CE2 4.22Å; I113-F162 VanDerWaalsContact C-CD1 3.46Å; D114-F162 HydrophobicContact CB-CD2 4.35Å; D114-F162 HydrophobicContact CB-CE1 4.3Å; D114-F162 HydrophobicContact CB-CE2 3.89Å; D114-F162 HydrophobicContact CB-CZ 3.86Å; W152-F162 AromaticContact CD1-CD1 3.9Å; K153-F162 HydrophobicContact CD-CB 4.35Å; K153-F162 HydrophobicContact CG-CB 3.98Å; K153-F162 PolarHBondContact N-O 2.83Å; K153-F162 VanDerWaalsContact N-O 3.12Å; D156-F162 PolarHBondContact OD1-N 3.33Å |
| 163 | G | 94.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | trans | -66.4 | 138 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K153 D156 K175 | K153-G163 CarbonylContact O-C 3.53Å; K153-G163 VanDerWaalsContact O-CA 3.26Å; K153-G163 WeakPolarHBondContact O-CA 3.46Å; D156-G163 VanDerWaalsContact CG-CA 3.46Å; D156-G163 WeakPolarHBondContact OD1-CA 3.47Å; D156-G163 PolarHBondContact OD1-N 3.19Å; D156-G163 VanDerWaalsContact OD2-CA 3.31Å; D156-G163 WeakPolarHBondContact OD2-CA 3.35Å; D156-G163 PolarHBondContact OD2-N 3.17Å; G163-K175 WeakPolarHBondContact O-CD 3.21Å; G163-K175 VanDerWaalsContact O-CE 3.24Å; G163-K175 WeakPolarHBondContact O-CE 3.48Å; G163-K175 PolarHBondContact O-NZ 2.91Å | ||
| 164 | L | 96.1 | Very high | 85.6 | Confident | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -67.9 | -26.2 | 161.7 | -65.4 | 175.3 | 0 | 0 | 0 | 111.4 | L128 V151 K153 L154 K175 S177 V178 Y181 | L128-L164 HydrophobicContact CD1-CD2 4.31Å; V151-L164 HydrophobicContact CB-CD1 4.49Å; V151-L164 HydrophobicContact CG1-CD1 4.13Å; V151-L164 HydrophobicContact CG1-CD2 4.2Å; V151-L164 HydrophobicContact CG1-CG 4.24Å; K153-L164 PolarHBondContact O-N 2.9Å; L154-L164 PolarHBondContact O-N 3.19Å; L164-K175 WeakPolarHBondContact O-CB 3.34Å; L164-K175 WeakPolarHBondContact O-CG 3.33Å; L164-K175 PolarHBondContact O-N 3.4Å; L164-S177 WeakPolarHBondContact CD2-OG 3.46Å; L164-V178 HydrophobicContact CB-CG2 3.82Å; L164-V178 WeakPolarHBondContact O-CG2 3.38Å; L164-Y181 HydrophobicContact CD1-CD1 4.05Å |
| 165 | F | 94.6 | Very high | 85.7 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 23% | 0.232 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140.4 | 174.8 | -64.5 | -100.8 | 0 | 0 | 0 | 110.6 | L154 Q155 D156 K173 A174 V178 | L154-F165 HydrophobicContact CD1-CD2 3.85Å; L154-F165 HydrophobicContact CD1-CE2 3.75Å; L154-F165 HydrophobicContact CG-CD2 4.4Å; L154-F165 VanDerWaalsContact O-CD2 3.31Å; L154-F165 WeakPolarHBondContact O-CD2 3.33Å; L154-F165 PolarHBondContact O-N 3.1Å; Q155-F165 WeakPolarHBondContact CA-O 3.44Å; Q155-F165 HydrophobicContact CB-CB 4.18Å; Q155-F165 HydrophobicContact CG-CB 4.11Å; D156-F165 PolarHBondContact N-O 2.89Å; F165-K173 CarbonylContact C-O 3.42Å; F165-K173 VanDerWaalsContact CA-O 3.27Å; F165-K173 WeakPolarHBondContact CA-O 3.28Å; F165-A174 HydrophobicContact CD1-CB 3.99Å; F165-A174 HydrophobicContact CE1-CB 3.67Å; F165-A174 HydrophobicContact CZ-CB 4.38Å; F165-V178 HydrophobicContact CD2-CG2 4.19Å; F165-V178 HydrophobicContact CE1-CG2 4.41Å; F165-V178 HydrophobicContact CE2-CG1 4.43Å; F165-V178 HydrophobicContact CE2-CG2 3.79Å; F165-V178 HydrophobicContact CZ-CG1 3.99Å; F165-V178 HydrophobicContact CZ-CG2 3.92Å |
| 166 | T | 91.1 | Very high | 86 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 8% | 0.08 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 154.7 | 163.9 | 61.1 | 0 | 0 | 0 | 0 | 109.9 | S118 P160 S172 K173 K175 | S118-T166 WeakPolarHBondContact O-CG2 3.45Å; P160-T166 HydrophobicContact CB-CG2 4.35Å; T166-S172 VanDerWaalsContact O-CA 3.26Å; T166-S172 WeakPolarHBondContact O-CA 3.34Å; T166-K173 PolarHBondContact N-O 2.97Å; T166-K173 PolarHBondContact O-N 3.35Å; T166-K173 VanDerWaalsContact O-N 3.1Å; T166-K173 PolarHBondContact OG1-O 3.45Å; T166-K175 HydrophobicContact CG2-CD 4.4Å; T166-K175 HydrophobicContact CG2-CG 4.26Å |
| 167 | S | 84.5 | Confident | 86.4 | Confident | 23 Ų | 23 | 68 Ų | 68 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 56.1 | 177.7 | -169.4 | 0 | 0 | 0 | 0 | 112.3 | Q155 D156 Q171 | Q155-S167 PolarHBondContact NE2-OG 3.26Å; D156-S167 WeakPolarHBondContact O-CB 3.35Å; D156-S167 PolarHBondContact O-N 3.47Å; S167-Q171 WeakPolarHBondContact CA-O 3.18Å |
| 168 | T | 78.2 | Confident | 87.4 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 44% | 0.436 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 128.1 | 174.9 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | H170 Q171 | T168-H170 VanDerWaalsContact C-N 3.32Å; T168-H170 PolarHBondContact O-N 2.54Å; T168-Q171 PolarHBondContact N-O 3.22Å; T168-Q171 PolarHBondContact O-N 2.94Å |
| 169 | Q | 76.5 | Confident | 88.6 | Confident | 174 Ų | 174 | 54.7 Ų | 54.7 | 81% | 0.813 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 43.1 | 174.6 | -58.5 | 176.9 | -10 | 0 | 0 | 114.1 | Q171 | Q169-Q171 PolarHBondContact O-N 3.49Å; Q169-Q171 VanDerWaalsContact O-N 3.09Å |
| 170 | H | 76.9 | Confident | 89.9 | Confident | 188 Ų | 188 | 53 Ų | 53 | 87% | 0.87 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 10.8 | -177.1 | -52.5 | -77.4 | 0 | 0 | 0 | 115.4 | T168 | T168-H170 VanDerWaalsContact C-N 3.32Å; T168-H170 PolarHBondContact O-N 2.54Å |
| 171 | Q | 82.5 | Confident | 91 | Very high | 109 Ų | 109 | 53.6 Ų | 53.6 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.2 | 173.1 | -64.9 | -175.5 | -3.3 | 0 | 0 | 110.3 | S167 T168 Q169 | S167-Q171 WeakPolarHBondContact CA-O 3.18Å; T168-Q171 PolarHBondContact N-O 3.22Å; T168-Q171 PolarHBondContact O-N 2.94Å; Q169-Q171 PolarHBondContact O-N 3.49Å; Q169-Q171 VanDerWaalsContact O-N 3.09Å |
| 172 | S | 89.3 | Confident | 91.4 | Very high | 68 Ų | 68 | 58.9 Ų | 58.9 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.6 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 109.7 | Q155 T166 | Q155-S172 PolarHBondContact NE2-OG 3.44Å; Q155-S172 PolarHBondContact OE1-OG 3.44Å; T166-S172 VanDerWaalsContact O-CA 3.26Å; T166-S172 WeakPolarHBondContact O-CA 3.34Å |
| 173 | K | 91.8 | Very high | 91.5 | Very high | 116 Ų | 116 | 62.1 Ų | 62.1 | 50% | 0.504 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.1 | 175.7 | -62.7 | -178.6 | 179.5 | 178.9 | 0 | 110.2 | F165 T166 | F165-K173 CarbonylContact C-O 3.42Å; F165-K173 VanDerWaalsContact CA-O 3.27Å; F165-K173 WeakPolarHBondContact CA-O 3.28Å; T166-K173 PolarHBondContact N-O 2.97Å; T166-K173 PolarHBondContact O-N 3.35Å; T166-K173 VanDerWaalsContact O-N 3.1Å; T166-K173 PolarHBondContact OG1-O 3.45Å |
| 174 | A | 94.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 63.8 Ų | 63.8 | 35% | 0.347 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 135.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F119 F165 V178 | F119-A174 WeakPolarHBondContact CD2-O 3.33Å; F119-A174 WeakPolarHBondContact CE2-O 3.37Å; F165-A174 HydrophobicContact CD1-CB 3.99Å; F165-A174 HydrophobicContact CE1-CB 3.67Å; F165-A174 HydrophobicContact CZ-CB 4.38Å; A174-V178 HydrophobicContact CB-CB 4.09Å; A174-V178 HydrophobicContact CB-CG1 4.24Å; A174-V178 HydrophobicContact CB-CG2 3.95Å |
| 175 | K | 95.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 68 Ų | 68 | 1% | 0.013 | 35% | 0.347 | C | S | . | . | trans | -85.7 | 166.9 | 167.8 | -59.1 | -179 | -172.2 | 169.4 | 0 | 110.5 | D121 D156 G163 L164 T166 S177 V178 | D121-K175 HydrophobicContact CB-CD 4.33Å; D121-K175 VanDerWaalsContact OD2-CB 3.3Å; D121-K175 WeakPolarHBondContact OD2-CB 3.19Å; D121-K175 WeakPolarHBondContact OD2-CD 3.37Å; D156-K175 IonicContact OD2-NZ 3.67Å; D156-K175 PolarHBondContact OD2-NZ 2.76Å; G163-K175 WeakPolarHBondContact O-CD 3.21Å; G163-K175 VanDerWaalsContact O-CE 3.24Å; G163-K175 WeakPolarHBondContact O-CE 3.48Å; G163-K175 PolarHBondContact O-NZ 2.91Å; L164-K175 WeakPolarHBondContact O-CB 3.34Å; L164-K175 WeakPolarHBondContact O-CG 3.33Å; L164-K175 PolarHBondContact O-N 3.4Å; T166-K175 HydrophobicContact CG2-CD 4.4Å; T166-K175 HydrophobicContact CG2-CG 4.26Å; K175-S177 PolarHBondContact O-N 3.19Å; K175-V178 WeakPolarHBondContact O-CB 3.35Å; K175-V178 PolarHBondContact O-N 2.95Å | ||
| 176 | A | 96.7 | Very high | 91.3 | Very high | 16 Ų | 16 | 69.6 Ų | 69.6 | 13% | 0.132 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.9 | -35.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F119 D121 V178 A179 L180 | F119-A176 PolarHBondContact O-N 2.86Å; D121-A176 PolarHBondContact OD1-N 3.43Å; A176-V178 PolarHBondContact O-N 3.15Å; A176-V178 VanDerWaalsContact O-N 3.11Å; A176-A179 PolarHBondContact O-N 2.64Å; A176-A179 VanDerWaalsContact O-N 3.09Å; A176-L180 PolarHBondContact O-N 3.01Å |
| 177 | S | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.5 | -23.1 | 174.3 | 62.8 | 0 | 0 | 0 | 0 | 115.2 | D121 L164 K175 Y181 | D121-S177 WeakPolarHBondContact OD1-CB 3.31Å; D121-S177 PolarHBondContact OD1-N 3.09Å; D121-S177 WeakPolarHBondContact OD2-CB 3.26Å; D121-S177 PolarHBondContact OD2-OG 3.4Å; L164-S177 WeakPolarHBondContact CD2-OG 3.46Å; K175-S177 PolarHBondContact O-N 3.19Å; S177-Y181 VanDerWaalsContact O-CB 3.28Å; S177-Y181 WeakPolarHBondContact O-CB 3.37Å; S177-Y181 PolarHBondContact O-N 3.09Å |
| 178 | V | 97.6 | Very high | 91.2 | Very high | 19 Ų | 19 | 75.4 Ų | 75.4 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 174.8 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | L164 F165 A174 K175 A176 Y181 R182 | L164-V178 HydrophobicContact CB-CG2 3.82Å; L164-V178 WeakPolarHBondContact O-CG2 3.38Å; F165-V178 HydrophobicContact CD2-CG2 4.19Å; F165-V178 HydrophobicContact CE1-CG2 4.41Å; F165-V178 HydrophobicContact CE2-CG1 4.43Å; F165-V178 HydrophobicContact CE2-CG2 3.79Å; F165-V178 HydrophobicContact CZ-CG1 3.99Å; F165-V178 HydrophobicContact CZ-CG2 3.92Å; A174-V178 HydrophobicContact CB-CB 4.09Å; A174-V178 HydrophobicContact CB-CG1 4.24Å; A174-V178 HydrophobicContact CB-CG2 3.95Å; K175-V178 WeakPolarHBondContact O-CB 3.35Å; K175-V178 PolarHBondContact O-N 2.95Å; A176-V178 PolarHBondContact O-N 3.15Å; A176-V178 VanDerWaalsContact O-N 3.11Å; V178-Y181 PolarHBondContact O-N 2.98Å; V178-R182 WeakPolarHBondContact O-CB 3.5Å; V178-R182 PolarHBondContact O-N 3.32Å |
| 179 | A | 96.9 | Very high | 90.8 | Very high | 66 Ų | 66 | 73.3 Ų | 73.3 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A176 R182 E183 | A176-A179 PolarHBondContact O-N 2.64Å; A176-A179 VanDerWaalsContact O-N 3.09Å; A179-R182 PolarHBondContact O-N 2.7Å; A179-E183 PolarHBondContact O-N 2.98Å |
| 180 | L | 96.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 174.6 | 172.1 | 65.2 | 0 | 0 | 0 | 112.4 | Q125 R129 A176 R182 E183 I184 | Q125-L180 HydrophobicContact CB-CD2 3.6Å; Q125-L180 HydrophobicContact CG-CD2 3.76Å; Q125-L180 WeakPolarHBondContact O-CD2 3.24Å; R129-L180 HydrophobicContact CG-CD1 4.11Å; R129-L180 HydrophobicContact CG-CD2 3.97Å; R129-L180 VanDerWaalsContact NE-CD1 3.31Å; A176-L180 PolarHBondContact O-N 3.01Å; L180-R182 VanDerWaalsContact C-N 3.32Å; L180-R182 PolarHBondContact O-N 3.39Å; L180-E183 WeakPolarHBondContact O-CB 3.39Å; L180-E183 PolarHBondContact O-N 3.5Å; L180-I184 HydrophobicContact CD1-CD1 3.98Å; L180-I184 HydrophobicContact CD1-CG1 4.27Å; L180-I184 HydrophobicContact CG-CD1 4Å; L180-I184 WeakPolarHBondContact O-CG1 3.42Å; L180-I184 PolarHBondContact O-N 3.32Å |
| 181 | Y | 96.6 | Very high | 89.2 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | -178.1 | -172.2 | -137 | 0 | 0 | 0 | 111.4 | L132 F149 V151 L164 S177 V178 E183 I184 I185 | L132-Y181 HydrophobicContact CD1-CD2 4.22Å; L132-Y181 HydrophobicContact CD1-CE2 4.11Å; F149-Y181 PolarHBondContact O-OH 3.4Å; V151-Y181 HydrophobicContact CB-CE1 4.27Å; V151-Y181 HydrophobicContact CG2-CD1 4.37Å; V151-Y181 HydrophobicContact CG2-CD2 4.22Å; V151-Y181 HydrophobicContact CG2-CE1 3.85Å; V151-Y181 HydrophobicContact CG2-CE2 3.7Å; V151-Y181 VanDerWaalsContact CG2-CZ 3.5Å; L164-Y181 HydrophobicContact CD1-CD1 4.05Å; S177-Y181 VanDerWaalsContact O-CB 3.28Å; S177-Y181 WeakPolarHBondContact O-CB 3.37Å; S177-Y181 PolarHBondContact O-N 3.09Å; V178-Y181 PolarHBondContact O-N 2.98Å; Y181-E183 VanDerWaalsContact C-N 3.35Å; Y181-E183 PolarHBondContact O-N 2.78Å; Y181-I184 PolarHBondContact O-N 3.38Å; Y181-I185 HydrophobicContact CD1-CD1 3.93Å; Y181-I185 HydrophobicContact CD2-CD1 4.25Å; Y181-I185 HydrophobicContact CD2-CG1 4.37Å; Y181-I185 HydrophobicContact CE1-CD1 3.73Å; Y181-I185 HydrophobicContact CE2-CD1 4.06Å; Y181-I185 HydrophobicContact CE2-CG1 4.13Å; Y181-I185 HydrophobicContact CG-CD1 4.18Å; Y181-I185 WeakPolarHBondContact O-CD1 3.47Å; Y181-I185 VanDerWaalsContact O-CG1 3.26Å; Y181-I185 WeakPolarHBondContact O-CG1 3.45Å; Y181-I185 PolarHBondContact O-N 2.97Å |
| 182 | R | 96.9 | Very high | 87.7 | Confident | 170 Ų | 170 | 65 Ų | 65 | 64% | 0.642 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 172.3 | -180 | -175.4 | -65.8 | 176.3 | -0.8 | 111.9 | V178 A179 L180 I185 S186 | V178-R182 WeakPolarHBondContact O-CB 3.5Å; V178-R182 PolarHBondContact O-N 3.32Å; A179-R182 PolarHBondContact O-N 2.7Å; L180-R182 VanDerWaalsContact C-N 3.32Å; L180-R182 PolarHBondContact O-N 3.39Å; R182-I185 PolarHBondContact O-N 3.45Å; R182-S186 WeakPolarHBondContact O-CB 3.46Å; R182-S186 PolarHBondContact O-N 3.07Å; R182-S186 PolarHBondContact O-OG 2.91Å |
| 183 | E | 95.3 | Very high | 85.6 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 176.5 | -175.4 | -169.9 | 169.7 | 0 | 0 | 111.1 | A179 L180 Y181 I185 S186 N187 | A179-E183 PolarHBondContact O-N 2.98Å; L180-E183 WeakPolarHBondContact O-CB 3.39Å; L180-E183 PolarHBondContact O-N 3.5Å; Y181-E183 VanDerWaalsContact C-N 3.35Å; Y181-E183 PolarHBondContact O-N 2.78Å; E183-I185 VanDerWaalsContact C-N 3.32Å; E183-I185 PolarHBondContact O-N 3.46Å; E183-S186 PolarHBondContact O-N 3.02Å; E183-S186 VanDerWaalsContact O-N 3.13Å; E183-N187 PolarHBondContact O-N 3.41Å; E183-N187 PolarHBondContact O-ND2 2.99Å |
| 184 | I | 94.3 | Very high | 83.3 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 17% | 0.174 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 178 | -66.8 | 166.9 | 0 | 0 | 0 | 111.2 | L132 L180 Y181 N187 S188 G189 | L132-I184 HydrophobicContact CD1-CD1 4.01Å; L132-I184 HydrophobicContact CD1-CG2 4Å; L180-I184 HydrophobicContact CD1-CD1 3.98Å; L180-I184 HydrophobicContact CD1-CG1 4.27Å; L180-I184 HydrophobicContact CG-CD1 4Å; L180-I184 WeakPolarHBondContact O-CG1 3.42Å; L180-I184 PolarHBondContact O-N 3.32Å; Y181-I184 PolarHBondContact O-N 3.38Å; I184-N187 PolarHBondContact O-N 3.2Å; I184-S188 PolarHBondContact O-N 3.25Å; I184-S188 VanDerWaalsContact O-N 3.11Å; I184-G189 PolarHBondContact O-N 2.87Å |
| 185 | I | 94.4 | Very high | 81 | Confident | 99 Ų | 99 | 73.4 Ų | 73.4 | 51% | 0.508 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 176.3 | -68.7 | 164.2 | 0 | 0 | 0 | 110.6 | Y181 R182 E183 N187 S188 | Y181-I185 HydrophobicContact CD1-CD1 3.93Å; Y181-I185 HydrophobicContact CD2-CD1 4.25Å; Y181-I185 HydrophobicContact CD2-CG1 4.37Å; Y181-I185 HydrophobicContact CE1-CD1 3.73Å; Y181-I185 HydrophobicContact CE2-CD1 4.06Å; Y181-I185 HydrophobicContact CE2-CG1 4.13Å; Y181-I185 HydrophobicContact CG-CD1 4.18Å; Y181-I185 WeakPolarHBondContact O-CD1 3.47Å; Y181-I185 VanDerWaalsContact O-CG1 3.26Å; Y181-I185 WeakPolarHBondContact O-CG1 3.45Å; Y181-I185 PolarHBondContact O-N 2.97Å; R182-I185 PolarHBondContact O-N 3.45Å; E183-I185 VanDerWaalsContact C-N 3.32Å; E183-I185 PolarHBondContact O-N 3.46Å; I185-N187 PolarHBondContact O-N 2.87Å; I185-S188 PolarHBondContact O-N 2.86Å |
| 186 | S | 93.8 | Very high | 78.5 | Confident | 87 Ų | 87 | 78 Ų | 78 | 61% | 0.608 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.6 | -34.5 | -177.5 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | R182 E183 | R182-S186 WeakPolarHBondContact O-CB 3.46Å; R182-S186 PolarHBondContact O-N 3.07Å; R182-S186 PolarHBondContact O-OG 2.91Å; E183-S186 PolarHBondContact O-N 3.02Å; E183-S186 VanDerWaalsContact O-N 3.13Å |
| 187 | N | 90.5 | Very high | 76.1 | Confident | 77 Ų | 77 | 84 Ų | 84 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 5 | 178.6 | -62.4 | -23.7 | 0 | 0 | 0 | 113.5 | E183 I184 I185 G189 S190 | E183-N187 PolarHBondContact O-N 3.41Å; E183-N187 PolarHBondContact O-ND2 2.99Å; I184-N187 PolarHBondContact O-N 3.2Å; I185-N187 PolarHBondContact O-N 2.87Å; N187-G189 PolarHBondContact O-N 3.01Å; N187-G189 VanDerWaalsContact O-N 3.09Å; N187-S190 WeakPolarHBondContact CB-O 3.36Å; N187-S190 PolarHBondContact O-N 2.97Å |
| 188 | S | 83.4 | Confident | 73.4 | Confident | 81 Ų | 81 | 89.4 Ų | 89.4 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 35.7 | -175.1 | -60.4 | 0 | 0 | 0 | 0 | 113.1 | I184 I185 S190 | I184-S188 PolarHBondContact O-N 3.25Å; I184-S188 VanDerWaalsContact O-N 3.11Å; I185-S188 PolarHBondContact O-N 2.86Å; S188-S190 VanDerWaalsContact C-N 3.31Å; S188-S190 PolarHBondContact O-N 3.15Å |
| 189 | G | 68.8 | Low | 70.6 | Confident | 27 Ų | 27 | 93.3 Ų | 93.3 | 28% | 0.278 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 2.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | L136 I184 N187 | L136-G189 WeakPolarHBondContact CD2-O 2.85Å; I184-G189 PolarHBondContact O-N 2.87Å; N187-G189 PolarHBondContact O-N 3.01Å; N187-G189 VanDerWaalsContact O-N 3.09Å |
| 190 | S | 65.2 | Low | 67.6 | Low | 61 Ų | 61 | 100.3 Ų | 100.3 | 43% | 0.427 | 56% | 0.557 | S | S | . | * | trans | -94.2 | 136.1 | 176.5 | -65.2 | 0 | 0 | 0 | 0 | 112 | N187 S188 | N187-S190 WeakPolarHBondContact CB-O 3.36Å; N187-S190 PolarHBondContact O-N 2.97Å; S188-S190 VanDerWaalsContact C-N 3.31Å; S188-S190 PolarHBondContact O-N 3.15Å | ||
| 191 | S | 54.4 | Low | 64.7 | Low | 109 Ų | 109 | 108.7 Ų | 108.7 | 76% | 0.762 | 59% | 0.593 | S | S | * | * | trans | -102.8 | 106.6 | 173 | -168.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 192 | N | 51.4 | Low | 61.9 | Low | 128 Ų | 128 | 112.6 Ų | 112.6 | 68% | 0.684 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 93.3 | 126.8 | 163.7 | -57.1 | -20.1 | 0 | 0 | 0 | 121.1 | S194 | N192-S194 VanDerWaalsContact C-N 3.34Å; N192-S194 PolarHBondContact O-N 2.96Å |
| 193 | N | 46.1 | Very low | 59.3 | Low | 167 Ų | 167 | 112.9 Ų | 112.9 | 89% | 0.893 | 63% | 0.631 | S | S | * | * | trans | 53.5 | 15.3 | 141 | -67.8 | -4.4 | 0 | 0 | 0 | 121.3 | ||||
| 194 | S | 42 | Very low | 56.7 | Low | 85 Ų | 85 | 116.6 Ų | 116.6 | 59% | 0.594 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -86.4 | 136.3 | 154.6 | 31.1 | 0 | 0 | 0 | 0 | 108.4 | N192 T196 | N192-S194 VanDerWaalsContact C-N 3.34Å; N192-S194 PolarHBondContact O-N 2.96Å; S194-T196 PolarHBondContact O-N 3.41Å; S194-T196 PolarHBondContact O-OG1 3.36Å |
| 195 | T | 47 | Very low | 54.4 | Low | 149 Ų | 149 | 123.3 Ų | 123.3 | 91% | 0.914 | 68% | 0.679 | S | S | * | * | trans | -61.5 | 75.5 | 172.2 | -15 | 0 | 0 | 0 | 0 | 108.4 | Q197 | T195-Q197 PolarHBondContact O-N 3.28Š| ||
| 196 | T | 43.8 | Very low | 52.5 | Low | 99 Ų | 99 | 127.5 Ų | 127.5 | 61% | 0.607 | 70% | 0.696 | S | S | * | * | trans | -68.9 | 106.3 | 172.8 | -16.3 | 0 | 0 | 0 | 0 | 104.8 | S194 P198 | S194-T196 PolarHBondContact O-N 3.41Å; S194-T196 PolarHBondContact O-OG1 3.36Å; T196-P198 VanDerWaalsContact O-N 3.11Å | ||
| 197 | Q | 46.2 | Very low | 50.5 | Low | 143 Ų | 143 | 131.3 Ų | 131.3 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | trans | -49.9 | 125 | 163.4 | -79.7 | -149.6 | -29.4 | 0 | 0 | 106.4 | T195 C199 | T195-Q197 PolarHBondContact O-N 3.28Å; Q197-C199 PolarHBondContact O-N 3.43Å | ||
| 198 | P | 39.8 | Very low | 49.8 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | trans | -52.9 | 140.3 | 173.7 | 22.6 | -31.3 | 0 | 0 | 0 | 106.9 | T196 R200 | T196-P198 VanDerWaalsContact O-N 3.11Å; P198-R200 PolarHBondContact O-N 2.86Å | ||
| 199 | C | 39.3 | Very low | 49.3 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | trans | -36 | 106.7 | 175.7 | -65.9 | 0 | 0 | 0 | 0 | 108.9 | Q197 F201 | Q197-C199 PolarHBondContact O-N 3.43Å; C199-F201 PolarHBondContact O-N 3.29Å | ||
| 200 | R | 34.7 | Very low | 49.4 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -63.5 | 94.8 | 162.5 | -103 | 179.5 | 169.5 | 172.1 | -2.6 | 103.2 | P198 T202 | P198-R200 PolarHBondContact O-N 2.86Å; R200-T202 PolarHBondContact O-N 2.77Å | ||
| 201 | F | 35 | Very low | 49.9 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | trans | -45.4 | 111.3 | 142.7 | -91.2 | -89.6 | 0 | 0 | 0 | 103.7 | C199 E203 | C199-F201 PolarHBondContact O-N 3.29Å; F201-E203 PolarHBondContact O-N 2.98Å | ||
| 202 | T | 37.3 | Very low | 51 | Low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | trans | -52.6 | 101.4 | 164.7 | 21.9 | 0 | 0 | 0 | 0 | 105.4 | R200 Q204 | R200-T202 PolarHBondContact O-N 2.77Å; T202-Q204 PolarHBondContact O-N 3.18Å | ||
| 203 | E | 42.1 | Very low | 52.2 | Low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -60.2 | 86.8 | 173.5 | -109.2 | 176.9 | 160.6 | 0 | 0 | 106.7 | F201 | F201-E203 PolarHBondContact O-N 2.98Š|
| 204 | Q | 40.9 | Very low | 53.4 | Low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 69% | 0.689 | S | S | * | * | trans | -137.2 | 28.4 | 162.3 | -110.5 | 168.1 | -12.4 | 0 | 0 | 110.4 | T202 | T202-Q204 PolarHBondContact O-N 3.18Š| ||
| 205 | Q | 46.6 | Very low | 54.8 | Low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -116.5 | 91.1 | 162.8 | -155.7 | 139.9 | 5.6 | 0 | 0 | 106.6 | K207 | Q205-K207 PolarHBondContact O-N 2.76Š|
| 206 | E | 53.3 | Low | 56.4 | Low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | -47.9 | 114.6 | 168.7 | -75.3 | -177.2 | 154.7 | 0 | 0 | 107.8 | C208 | E206-C208 PolarHBondContact O-N 2.92Š| ||
| 207 | K | 52.8 | Low | 58.1 | Low | 166 Ų | 166 | 134.9 Ų | 134.9 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | trans | -63 | 103 | 175.3 | -72.2 | 177.6 | -178.8 | 170.4 | 0 | 107.1 | Q205 L209 | Q205-K207 PolarHBondContact O-N 2.76Å; K207-L209 VanDerWaalsContact C-N 3.34Å; K207-L209 PolarHBondContact O-N 3.17Å | ||
| 208 | C | 74.7 | Confident | 59.6 | Low | 60 Ų | 60 | 134 Ų | 134 | 41% | 0.405 | 66% | 0.658 | S | S | . | * | trans | -65.3 | 97.1 | 173 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | E206 T210 C211 E212 | E206-C208 PolarHBondContact O-N 2.92Å; C208-T210 PolarHBondContact O-N 3.09Å; C208-T210 VanDerWaalsContact O-N 3.12Å; C208-T210 PolarHBondContact SG-OG1 3.11Å; C208-C211 HydrophobicContact CB-CB 3.9Å; C208-C211 WeakPolarHBondContact O-CB 3.29Å; C208-C211 PolarHBondContact O-N 3.43Å; C208-C211 PolarHBondContact SG-N 3.12Å; C208-C211 VanDerWaalsContact SG-N 3.44Å; C208-C211 PolarHBondContact SG-SG 2.9Å; C208-E212 PolarHBondContact O-N 3.29Å | ||
| 209 | L | 73.9 | Confident | 61.5 | Low | 141 Ų | 141 | 132.3 Ų | 132.3 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -51.7 | -33.7 | 177.6 | -74.9 | 159 | 0 | 0 | 0 | 111.6 | K207 W213 | K207-L209 VanDerWaalsContact C-N 3.34Å; K207-L209 PolarHBondContact O-N 3.17Å; L209-W213 WeakPolarHBondContact O-CB 3.41Å; L209-W213 PolarHBondContact O-N 3.2Å; L209-W213 VanDerWaalsContact O-N 3.08Å |
| 210 | T | 71.7 | Confident | 63.3 | Low | 92 Ų | 92 | 134.1 Ų | 134.1 | 56% | 0.564 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.7 | -42.3 | 175.1 | 4.2 | 0 | 0 | 0 | 0 | 112.2 | C208 W213 M214 | C208-T210 PolarHBondContact O-N 3.09Å; C208-T210 VanDerWaalsContact O-N 3.12Å; C208-T210 PolarHBondContact SG-OG1 3.11Å; T210-W213 PolarHBondContact O-N 3.17Å; T210-M214 WeakPolarHBondContact O-CB 3.37Å; T210-M214 WeakPolarHBondContact O-CG 3.16Å; T210-M214 PolarHBondContact O-N 3Å |
| 211 | C | 74.2 | Confident | 65.5 | Low | 67 Ų | 67 | 127.6 Ų | 127.6 | 45% | 0.453 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.9 | -39.1 | 177.3 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | C208 M214 L215 | C208-C211 HydrophobicContact CB-CB 3.9Å; C208-C211 WeakPolarHBondContact O-CB 3.29Å; C208-C211 PolarHBondContact O-N 3.43Å; C208-C211 PolarHBondContact SG-N 3.12Å; C208-C211 VanDerWaalsContact SG-N 3.44Å; C208-C211 PolarHBondContact SG-SG 2.9Å; C211-M214 PolarHBondContact O-N 2.9Å; C211-L215 WeakPolarHBondContact O-CB 3.42Å; C211-L215 WeakPolarHBondContact O-CD1 3.36Å; C211-L215 WeakPolarHBondContact O-CG 3.46Å; C211-L215 PolarHBondContact O-N 3.06Å |
| 212 | E | 77.7 | Confident | 67.9 | Low | 123 Ų | 123 | 123.2 Ų | 123.2 | 58% | 0.575 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.1 | -42.3 | 177.6 | -168.2 | 172.8 | 178.7 | 0 | 0 | 111.7 | C208 L215 K216 | C208-E212 PolarHBondContact O-N 3.29Å; E212-L215 PolarHBondContact O-N 3.26Å; E212-K216 WeakPolarHBondContact O-CB 3.3Å; E212-K216 PolarHBondContact O-N 3.42Å |
| 213 | W | 77.1 | Confident | 70.1 | Confident | 153 Ų | 153 | 123.6 Ų | 123.6 | 58% | 0.58 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.3 | -41.3 | 173.4 | -176.6 | 91 | 0 | 0 | 0 | 112.4 | L209 T210 K216 N217 | L209-W213 WeakPolarHBondContact O-CB 3.41Å; L209-W213 PolarHBondContact O-N 3.2Å; L209-W213 VanDerWaalsContact O-N 3.08Å; T210-W213 PolarHBondContact O-N 3.17Å; W213-K216 PolarHBondContact O-N 3.33Å; W213-N217 PolarHBondContact NE1-ND2 3.39Å; W213-N217 WeakPolarHBondContact O-CB 3.37Å; W213-N217 PolarHBondContact O-N 2.66Å; W213-N217 PolarHBondContact O-ND2 2.88Å |
| 214 | M | 71.3 | Confident | 72.2 | Confident | 92 Ų | 92 | 116.7 Ų | 116.7 | 45% | 0.453 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.6 | -39 | 175.8 | -75.1 | -175.2 | 156.2 | 0 | 0 | 112.2 | T210 C211 N217 K218 L221 | T210-M214 WeakPolarHBondContact O-CB 3.37Å; T210-M214 WeakPolarHBondContact O-CG 3.16Å; T210-M214 PolarHBondContact O-N 3Å; C211-M214 PolarHBondContact O-N 2.9Å; M214-N217 CarbonylContact O-C 3.55Å; M214-N217 PolarHBondContact O-N 2.74Å; M214-K218 WeakPolarHBondContact O-CG 3.42Å; M214-K218 PolarHBondContact O-N 3.32Å; M214-L221 HydrophobicContact CB-CD1 3.81Å; M214-L221 HydrophobicContact CG-CD1 3.78Å |
| 215 | L | 70.6 | Confident | 74.5 | Confident | 105 Ų | 105 | 109.3 Ų | 109.3 | 55% | 0.55 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.1 | -42.4 | 175.8 | -86.7 | 157.1 | 0 | 0 | 0 | 111.8 | C211 E212 K218 | C211-L215 WeakPolarHBondContact O-CB 3.42Å; C211-L215 WeakPolarHBondContact O-CD1 3.36Å; C211-L215 WeakPolarHBondContact O-CG 3.46Å; C211-L215 PolarHBondContact O-N 3.06Å; E212-L215 PolarHBondContact O-N 3.26Å; L215-K218 VanDerWaalsContact CD2-CE 3.43Å; L215-K218 VanDerWaalsContact CD2-NZ 3.27Å; L215-K218 WeakPolarHBondContact O-CG 3.43Å |
| 216 | K | 80.6 | Confident | 76.4 | Confident | 178 Ų | 178 | 104.3 Ų | 104.3 | 77% | 0.774 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.8 | -33.4 | 179.3 | -166.1 | 173.5 | -177.6 | 178.2 | 0 | 112.6 | E212 W213 | E212-K216 WeakPolarHBondContact O-CB 3.3Å; E212-K216 PolarHBondContact O-N 3.42Å; W213-K216 PolarHBondContact O-N 3.33Å |
| 217 | N | 81.1 | Confident | 78.2 | Confident | 47 Ų | 47 | 101.1 Ų | 101.1 | 25% | 0.251 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 23.6 | -176.8 | -59.9 | -61.4 | 0 | 0 | 0 | 113.6 | W213 M214 P219 M220 L221 | W213-N217 PolarHBondContact NE1-ND2 3.39Å; W213-N217 WeakPolarHBondContact O-CB 3.37Å; W213-N217 PolarHBondContact O-N 2.66Å; W213-N217 PolarHBondContact O-ND2 2.88Å; M214-N217 CarbonylContact O-C 3.55Å; M214-N217 PolarHBondContact O-N 2.74Å; N217-P219 VanDerWaalsContact C-N 3.32Å; N217-P219 VanDerWaalsContact O-N 3.13Å; N217-M220 HydrophobicContact CB-CB 4.41Å; N217-M220 WeakPolarHBondContact O-CB 3.4Å; N217-M220 PolarHBondContact O-N 2.66Å; N217-L221 PolarHBondContact O-N 3.11Å |
| 218 | K | 77.6 | Confident | 79.9 | Confident | 125 Ų | 125 | 99.5 Ų | 99.5 | 54% | 0.543 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -38.8 | -48.9 | 175.4 | -86.7 | 174.4 | 171.5 | 172.3 | 0 | 115.3 | M214 L215 M220 L221 V222 | M214-K218 WeakPolarHBondContact O-CG 3.42Å; M214-K218 PolarHBondContact O-N 3.32Å; L215-K218 VanDerWaalsContact CD2-CE 3.43Å; L215-K218 VanDerWaalsContact CD2-NZ 3.27Å; L215-K218 WeakPolarHBondContact O-CG 3.43Å; K218-M220 VanDerWaalsContact C-N 3.35Å; K218-M220 PolarHBondContact O-N 3.35Å; K218-L221 PolarHBondContact O-N 2.95Å; K218-V222 WeakPolarHBondContact O-CG2 3.42Å; K218-V222 PolarHBondContact O-N 2.93Å |
| 219 | P | 80.1 | Confident | 80.7 | Confident | 79 Ų | 79 | 102.2 Ų | 102.2 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 179.7 | 22 | -32.3 | 0 | 0 | 0 | 112.5 | N217 L221 V222 F223 | N217-P219 VanDerWaalsContact C-N 3.32Å; N217-P219 VanDerWaalsContact O-N 3.13Å; P219-L221 VanDerWaalsContact C-N 3.34Å; P219-L221 PolarHBondContact O-N 3.04Å; P219-V222 PolarHBondContact O-N 2.95Å; P219-F223 HydrophobicContact CB-CD2 4.38Å; P219-F223 HydrophobicContact CB-CE2 4.15Å; P219-F223 WeakPolarHBondContact O-CD2 3.42Å; P219-F223 PolarHBondContact O-N 3.48Å |
| 220 | M | 75.8 | Confident | 81.6 | Confident | 138 Ų | 138 | 99.3 Ų | 99.3 | 68% | 0.68 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.9 | -36.9 | -179.4 | -76.3 | -80.5 | 143.1 | 0 | 0 | 112.7 | N217 K218 G224 | N217-M220 HydrophobicContact CB-CB 4.41Å; N217-M220 WeakPolarHBondContact O-CB 3.4Å; N217-M220 PolarHBondContact O-N 2.66Å; K218-M220 VanDerWaalsContact C-N 3.35Å; K218-M220 PolarHBondContact O-N 3.35Å; M220-G224 PolarHBondContact O-N 3.35Å |
| 221 | L | 81.8 | Confident | 82.5 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 40% | 0.403 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 176.7 | -74.4 | 163.8 | 0 | 0 | 0 | 112.3 | M214 N217 K218 P219 G225 | M214-L221 HydrophobicContact CB-CD1 3.81Å; M214-L221 HydrophobicContact CG-CD1 3.78Å; N217-L221 PolarHBondContact O-N 3.11Å; K218-L221 PolarHBondContact O-N 2.95Å; P219-L221 VanDerWaalsContact C-N 3.34Å; P219-L221 PolarHBondContact O-N 3.04Å; L221-G225 PolarHBondContact O-N 2.88Å |
| 222 | V | 83.9 | Confident | 83.4 | Confident | 93 Ų | 93 | 97.3 Ų | 97.3 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.2 | -46.9 | 177 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | K218 P219 G225 C226 | K218-V222 WeakPolarHBondContact O-CG2 3.42Å; K218-V222 PolarHBondContact O-N 2.93Å; P219-V222 PolarHBondContact O-N 2.95Å; V222-G225 PolarHBondContact O-N 2.97Å; V222-C226 WeakPolarHBondContact O-CB 3.27Å; V222-C226 PolarHBondContact O-N 2.99Å; V222-C226 PolarHBondContact O-SG 3.1Å; V222-C226 VanDerWaalsContact O-SG 3.41Å |
| 223 | F | 83.9 | Confident | 84.1 | Confident | 135 Ų | 135 | 97.6 Ų | 97.6 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 178 | -70.9 | -64.2 | 0 | 0 | 0 | 112.3 | P219 C226 L227 | P219-F223 HydrophobicContact CB-CD2 4.38Å; P219-F223 HydrophobicContact CB-CE2 4.15Å; P219-F223 WeakPolarHBondContact O-CD2 3.42Å; P219-F223 PolarHBondContact O-N 3.48Å; F223-C226 PolarHBondContact O-N 3.24Å; F223-L227 WeakPolarHBondContact O-CG 3.46Å; F223-L227 PolarHBondContact O-N 2.91Å |
| 224 | G | 87.2 | Confident | 84.9 | Confident | 31 Ų | 31 | 95.5 Ų | 95.5 | 32% | 0.32 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M220 C226 L227 L228 | M220-G224 PolarHBondContact O-N 3.35Å; G224-C226 PolarHBondContact O-N 3.35Å; G224-L227 PolarHBondContact O-N 3.2Å; G224-L228 WeakPolarHBondContact O-CG 3.21Å; G224-L228 PolarHBondContact O-N 3.11Å; G224-L228 VanDerWaalsContact O-N 3.08Å |
| 225 | G | 88.1 | Confident | 85.9 | Confident | 31 Ų | 31 | 93.3 Ų | 93.3 | 32% | 0.32 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L221 V222 L227 L228 I229 | L221-G225 PolarHBondContact O-N 2.88Å; V222-G225 PolarHBondContact O-N 2.97Å; G225-L227 PolarHBondContact O-N 2.91Å; G225-L228 PolarHBondContact O-N 2.83Å; G225-I229 VanDerWaalsContact O-CG1 3.31Å; G225-I229 WeakPolarHBondContact O-CG1 3.24Å; G225-I229 PolarHBondContact O-N 2.9Å |
| 226 | C | 87.8 | Confident | 87 | Confident | 70 Ų | 70 | 90.9 Ų | 90.9 | 47% | 0.473 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 176.2 | -76.1 | 0 | 0 | 0 | 0 | 112.5 | V222 F223 G224 I229 T230 | V222-C226 WeakPolarHBondContact O-CB 3.27Å; V222-C226 PolarHBondContact O-N 2.99Å; V222-C226 PolarHBondContact O-SG 3.1Å; V222-C226 VanDerWaalsContact O-SG 3.41Å; F223-C226 PolarHBondContact O-N 3.24Å; G224-C226 PolarHBondContact O-N 3.35Å; C226-I229 PolarHBondContact O-N 3.37Å; C226-T230 VanDerWaalsContact O-CG2 3.3Å; C226-T230 WeakPolarHBondContact O-CG2 3.26Å; C226-T230 PolarHBondContact O-N 3.23Å; C226-T230 PolarHBondContact O-OG1 2.82Å; C226-T230 VanDerWaalsContact O-OG1 3.14Å |
| 227 | L | 90.1 | Very high | 87.6 | Confident | 120 Ų | 120 | 87.6 Ų | 87.6 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -36.7 | 178.6 | -73 | 171.6 | 0 | 0 | 0 | 112.9 | F223 G224 G225 T230 S231 | F223-L227 WeakPolarHBondContact O-CG 3.46Å; F223-L227 PolarHBondContact O-N 2.91Å; G224-L227 PolarHBondContact O-N 3.2Å; G225-L227 PolarHBondContact O-N 2.91Å; L227-T230 WeakPolarHBondContact CA-OG1 3.31Å; L227-T230 PolarHBondContact O-OG1 2.67Å; L227-S231 VanDerWaalsContact O-CB 3.28Å; L227-S231 WeakPolarHBondContact O-CB 2.79Å; L227-S231 PolarHBondContact O-N 3Å |
| 228 | L | 89.7 | Confident | 88.1 | Confident | 133 Ų | 133 | 90 Ų | 90 | 70% | 0.696 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69 | -41.3 | 176.5 | -70.1 | 173.4 | 0 | 0 | 0 | 111.7 | G224 G225 S231 G232 | G224-L228 WeakPolarHBondContact O-CG 3.21Å; G224-L228 PolarHBondContact O-N 3.11Å; G224-L228 VanDerWaalsContact O-N 3.08Å; G225-L228 PolarHBondContact O-N 2.83Å; L228-S231 PolarHBondContact O-N 3.32Å; L228-G232 PolarHBondContact O-N 3.45Å |
| 229 | I | 91.3 | Very high | 88.8 | Confident | 117 Ų | 117 | 89 Ų | 89 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 176.5 | -66.6 | 167.3 | 0 | 0 | 0 | 110.3 | G225 C226 G232 M233 | G225-I229 VanDerWaalsContact O-CG1 3.31Å; G225-I229 WeakPolarHBondContact O-CG1 3.24Å; G225-I229 PolarHBondContact O-N 2.9Å; C226-I229 PolarHBondContact O-N 3.37Å; I229-G232 PolarHBondContact O-N 2.89Å; I229-M233 HydrophobicContact CG2-CG 4.41Å; I229-M233 VanDerWaalsContact O-CG 3.26Å; I229-M233 WeakPolarHBondContact O-CG 3.33Å; I229-M233 PolarHBondContact O-N 2.55Å |
| 230 | T | 91.7 | Very high | 89.3 | Confident | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 179.5 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | C226 L227 M233 L234 | C226-T230 VanDerWaalsContact O-CG2 3.3Å; C226-T230 WeakPolarHBondContact O-CG2 3.26Å; C226-T230 PolarHBondContact O-N 3.23Å; C226-T230 PolarHBondContact O-OG1 2.82Å; C226-T230 VanDerWaalsContact O-OG1 3.14Å; L227-T230 WeakPolarHBondContact CA-OG1 3.31Å; L227-T230 PolarHBondContact O-OG1 2.67Å; T230-M233 PolarHBondContact O-N 2.77Å; T230-L234 PolarHBondContact O-N 2.78Å |
| 231 | S | 91 | Very high | 90 | Very high | 76 Ų | 76 | 89.6 Ų | 89.6 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 173.8 | -174.5 | 0 | 0 | 0 | 0 | 112 | L227 L228 M233 L234 A235 | L227-S231 VanDerWaalsContact O-CB 3.28Å; L227-S231 WeakPolarHBondContact O-CB 2.79Å; L227-S231 PolarHBondContact O-N 3Å; L228-S231 PolarHBondContact O-N 3.32Å; S231-M233 PolarHBondContact O-N 2.91Å; S231-L234 PolarHBondContact O-N 2.97Å; S231-A235 PolarHBondContact O-N 3.45Å |
| 232 | G | 93.7 | Very high | 90.4 | Very high | 41 Ų | 41 | 89.6 Ų | 89.6 | 42% | 0.423 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L228 I229 A235 A236 | L228-G232 PolarHBondContact O-N 3.45Å; I229-G232 PolarHBondContact O-N 2.89Å; G232-A235 PolarHBondContact O-N 2.99Å; G232-A236 WeakPolarHBondContact O-CB 3.35Å; G232-A236 PolarHBondContact O-N 2.98Å |
| 233 | M | 92.7 | Very high | 90.5 | Very high | 128 Ų | 128 | 89.3 Ų | 89.3 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -40.9 | 177 | -69.2 | -68.6 | -95.5 | 0 | 0 | 111.9 | I229 T230 S231 A236 L237 | I229-M233 HydrophobicContact CG2-CG 4.41Å; I229-M233 VanDerWaalsContact O-CG 3.26Å; I229-M233 WeakPolarHBondContact O-CG 3.33Å; I229-M233 PolarHBondContact O-N 2.55Å; T230-M233 PolarHBondContact O-N 2.77Å; S231-M233 PolarHBondContact O-N 2.91Å; M233-A236 PolarHBondContact O-N 3.09Å; M233-L237 WeakPolarHBondContact O-CG 3.39Å; M233-L237 PolarHBondContact O-N 3.04Å |
| 234 | L | 93.3 | Very high | 90.4 | Very high | 110 Ų | 110 | 84.8 Ų | 84.8 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 175.9 | -113.5 | 140.7 | 0 | 0 | 0 | 112 | T230 S231 L237 I238 | T230-L234 PolarHBondContact O-N 2.78Å; S231-L234 PolarHBondContact O-N 2.97Å; L234-L237 PolarHBondContact O-N 3.23Å; L234-I238 HydrophobicContact CD2-CD1 4.45Å; L234-I238 VanDerWaalsContact O-CG1 3.3Å; L234-I238 WeakPolarHBondContact O-CG1 3.33Å; L234-I238 PolarHBondContact O-N 3.1Å |
| 235 | A | 92.8 | Very high | 90.3 | Very high | 46 Ų | 46 | 90.3 Ų | 90.3 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S231 G232 L237 I238 I239 | S231-A235 PolarHBondContact O-N 3.45Å; G232-A235 PolarHBondContact O-N 2.99Å; A235-L237 VanDerWaalsContact C-N 3.35Å; A235-L237 PolarHBondContact O-N 2.92Å; A235-I238 PolarHBondContact O-N 3.44Å; A235-I239 VanDerWaalsContact O-CG1 3.27Å; A235-I239 WeakPolarHBondContact O-CG1 3.38Å; A235-I239 PolarHBondContact O-N 3Å |
| 236 | A | 92.4 | Very high | 89.9 | Confident | 54 Ų | 54 | 97.9 Ų | 97.9 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G232 M233 I239 F240 | G232-A236 WeakPolarHBondContact O-CB 3.35Å; G232-A236 PolarHBondContact O-N 2.98Å; M233-A236 PolarHBondContact O-N 3.09Å; A236-I239 PolarHBondContact O-N 2.83Å; A236-F240 WeakPolarHBondContact O-CB 3.4Å; A236-F240 PolarHBondContact O-N 2.9Å |
| 237 | L | 92.9 | Very high | 89.5 | Confident | 108 Ų | 108 | 99.2 Ų | 99.2 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 174.9 | -75.3 | 171 | 0 | 0 | 0 | 112 | M233 L234 A235 F240 I241 | M233-L237 WeakPolarHBondContact O-CG 3.39Å; M233-L237 PolarHBondContact O-N 3.04Å; L234-L237 PolarHBondContact O-N 3.23Å; A235-L237 VanDerWaalsContact C-N 3.35Å; A235-L237 PolarHBondContact O-N 2.92Å; L237-F240 PolarHBondContact O-N 2.85Å; L237-I241 WeakPolarHBondContact O-CB 3.2Å; L237-I241 WeakPolarHBondContact O-CG1 3.32Å; L237-I241 PolarHBondContact O-N 2.82Å |
| 238 | I | 92.4 | Very high | 89 | Confident | 99 Ų | 99 | 100.6 Ų | 100.6 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 176.7 | -68 | 166.2 | 0 | 0 | 0 | 110.3 | L234 A235 F240 I241 V242 | L234-I238 HydrophobicContact CD2-CD1 4.45Å; L234-I238 VanDerWaalsContact O-CG1 3.3Å; L234-I238 WeakPolarHBondContact O-CG1 3.33Å; L234-I238 PolarHBondContact O-N 3.1Å; A235-I238 PolarHBondContact O-N 3.44Å; I238-F240 VanDerWaalsContact C-N 3.33Å; I238-F240 PolarHBondContact O-N 3.41Å; I238-I241 PolarHBondContact O-N 2.89Å; I238-V242 HydrophobicContact CG2-CG2 4.45Å; I238-V242 WeakPolarHBondContact O-CG2 3.28Å; I238-V242 PolarHBondContact O-N 3.3Å |
| 239 | I | 91.8 | Very high | 88.4 | Confident | 102 Ų | 102 | 100.2 Ų | 100.2 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 176.8 | -69 | 166.4 | 0 | 0 | 0 | 110.2 | A235 A236 I241 V242 I243 | A235-I239 VanDerWaalsContact O-CG1 3.27Å; A235-I239 WeakPolarHBondContact O-CG1 3.38Å; A235-I239 PolarHBondContact O-N 3Å; A236-I239 PolarHBondContact O-N 2.83Å; I239-I241 PolarHBondContact O-N 3.49Å; I239-V242 PolarHBondContact O-N 3.47Å; I239-I243 HydrophobicContact CG2-CD1 3.63Å; I239-I243 HydrophobicContact CG2-CG1 4.29Å; I239-I243 WeakPolarHBondContact O-CB 3.47Å; I239-I243 VanDerWaalsContact O-CG1 3.31Å; I239-I243 WeakPolarHBondContact O-CG1 3.21Å; I239-I243 PolarHBondContact O-N 3.44Å |
| 240 | F | 91.3 | Very high | 87.5 | Confident | 143 Ų | 143 | 99.9 Ų | 99.9 | 63% | 0.627 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.1 | -41.9 | 177.6 | -175.5 | -96.4 | 0 | 0 | 0 | 112.3 | A236 L237 I238 I243 S244 | A236-F240 WeakPolarHBondContact O-CB 3.4Å; A236-F240 PolarHBondContact O-N 2.9Å; L237-F240 PolarHBondContact O-N 2.85Å; I238-F240 VanDerWaalsContact C-N 3.33Å; I238-F240 PolarHBondContact O-N 3.41Å; F240-I243 PolarHBondContact O-N 2.92Å; F240-S244 VanDerWaalsContact O-CB 3.28Å; F240-S244 WeakPolarHBondContact O-CB 3.07Å; F240-S244 PolarHBondContact O-N 3.08Å; F240-S244 PolarHBondContact O-OG 3.43Å |
| 241 | I | 90.3 | Very high | 86.6 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.5 | -69.4 | 166 | 0 | 0 | 0 | 110.8 | L237 I238 I239 S244 K245 | L237-I241 WeakPolarHBondContact O-CB 3.2Å; L237-I241 WeakPolarHBondContact O-CG1 3.32Å; L237-I241 PolarHBondContact O-N 2.82Å; I238-I241 PolarHBondContact O-N 2.89Å; I239-I241 PolarHBondContact O-N 3.49Å; I241-S244 WeakPolarHBondContact CA-OG 3.46Å; I241-S244 PolarHBondContact O-OG 3.26Å; I241-K245 HydrophobicContact CG2-CD 4.45Å; I241-K245 WeakPolarHBondContact O-CB 3.21Å; I241-K245 WeakPolarHBondContact O-CG 3.18Å; I241-K245 PolarHBondContact O-N 3.12Å |
| 242 | V | 89.9 | Confident | 85.7 | Confident | 77 Ų | 77 | 106.8 Ų | 106.8 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 178.1 | 171 | 0 | 0 | 0 | 0 | 111.2 | I238 I239 K245 R246 | I238-V242 HydrophobicContact CG2-CG2 4.45Å; I238-V242 WeakPolarHBondContact O-CG2 3.28Å; I238-V242 PolarHBondContact O-N 3.3Å; I239-V242 PolarHBondContact O-N 3.47Å; V242-K245 PolarHBondContact O-N 3.41Å; V242-R246 WeakPolarHBondContact O-CB 3.29Å; V242-R246 PolarHBondContact O-N 2.78Å |
| 243 | I | 86.4 | Confident | 84.7 | Confident | 87 Ų | 87 | 112.4 Ų | 112.4 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 177.8 | -68.5 | 172.1 | 0 | 0 | 0 | 110.4 | I239 F240 K245 R246 N247 | I239-I243 HydrophobicContact CG2-CD1 3.63Å; I239-I243 HydrophobicContact CG2-CG1 4.29Å; I239-I243 WeakPolarHBondContact O-CB 3.47Å; I239-I243 VanDerWaalsContact O-CG1 3.31Å; I239-I243 WeakPolarHBondContact O-CG1 3.21Å; I239-I243 PolarHBondContact O-N 3.44Å; F240-I243 PolarHBondContact O-N 2.92Å; I243-K245 PolarHBondContact O-N 2.73Å; I243-R246 WeakPolarHBondContact O-CB 3.42Å; I243-R246 PolarHBondContact O-N 2.85Å; I243-N247 PolarHBondContact O-N 2.75Å |
| 244 | S | 81.9 | Confident | 83.7 | Confident | 40 Ų | 40 | 112.9 Ų | 112.9 | 28% | 0.28 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 179.3 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | F240 I241 N247 K248 | F240-S244 VanDerWaalsContact O-CB 3.28Å; F240-S244 WeakPolarHBondContact O-CB 3.07Å; F240-S244 PolarHBondContact O-N 3.08Å; F240-S244 PolarHBondContact O-OG 3.43Å; I241-S244 WeakPolarHBondContact CA-OG 3.46Å; I241-S244 PolarHBondContact O-OG 3.26Å; S244-N247 PolarHBondContact O-N 3.05Å; S244-K248 WeakPolarHBondContact O-CB 3.25Å; S244-K248 WeakPolarHBondContact O-CG 3.26Å; S244-K248 PolarHBondContact O-N 3.11Å |
| 245 | K | 84.3 | Confident | 82.7 | Confident | 148 Ų | 148 | 115.2 Ų | 115.2 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 171.7 | -81.2 | -174 | 176.2 | 178.6 | 0 | 112.2 | I241 V242 I243 K248 K249 | I241-K245 HydrophobicContact CG2-CD 4.45Å; I241-K245 WeakPolarHBondContact O-CB 3.21Å; I241-K245 WeakPolarHBondContact O-CG 3.18Å; I241-K245 PolarHBondContact O-N 3.12Å; V242-K245 PolarHBondContact O-N 3.41Å; I243-K245 PolarHBondContact O-N 2.73Å; K245-K248 PolarHBondContact O-N 3.45Å; K245-K249 WeakPolarHBondContact O-CB 3.13Å; K245-K249 PolarHBondContact O-N 3.13Å |
| 246 | R | 81.3 | Confident | 81.8 | Confident | 190 Ų | 190 | 120 Ų | 120 | 72% | 0.717 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.6 | -45.8 | 174.5 | -96.6 | -177.6 | 169.9 | 175.4 | -1.9 | 111.3 | V242 I243 K249 H250 | V242-R246 WeakPolarHBondContact O-CB 3.29Å; V242-R246 PolarHBondContact O-N 2.78Å; I243-R246 WeakPolarHBondContact O-CB 3.42Å; I243-R246 PolarHBondContact O-N 2.85Å; R246-K249 PolarHBondContact O-N 3.27Å; R246-H250 WeakPolarHBondContact O-CB 3.24Å; R246-H250 PolarHBondContact O-N 3.22Å |
| 247 | N | 78.4 | Confident | 80.7 | Confident | 98 Ų | 98 | 127.1 Ų | 127.1 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.5 | -45.1 | 177.8 | -74.7 | -6.9 | 0 | 0 | 0 | 111.7 | I243 S244 K249 H250 D251 | I243-N247 PolarHBondContact O-N 2.75Å; S244-N247 PolarHBondContact O-N 3.05Å; N247-K249 VanDerWaalsContact C-N 3.32Å; N247-K249 PolarHBondContact O-N 2.51Å; N247-H250 WeakPolarHBondContact O-CB 3.35Å; N247-H250 PolarHBondContact O-N 3.05Å; N247-H250 VanDerWaalsContact O-N 3.17Å; N247-D251 PolarHBondContact O-N 3.45Å |
| 248 | K | 79 | Confident | 79.7 | Confident | 149 Ų | 149 | 129.8 Ų | 129.8 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.6 | -39.5 | 173.5 | -76 | -178.2 | 179.6 | 179.5 | 0 | 112.5 | S244 K245 R252 | S244-K248 WeakPolarHBondContact O-CB 3.25Å; S244-K248 WeakPolarHBondContact O-CG 3.26Å; S244-K248 PolarHBondContact O-N 3.11Å; K245-K248 PolarHBondContact O-N 3.45Å; K248-R252 WeakPolarHBondContact O-CG 3.37Å; K248-R252 PolarHBondContact O-N 2.99Å |
| 249 | K | 77.1 | Confident | 78.7 | Confident | 125 Ų | 125 | 130.1 Ų | 130.1 | 54% | 0.543 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68 | -39.9 | 175.7 | -170.8 | 175.7 | -177.3 | 175.3 | 0 | 111.6 | K245 R246 N247 R252 R253 | K245-K249 WeakPolarHBondContact O-CB 3.13Å; K245-K249 PolarHBondContact O-N 3.13Å; R246-K249 PolarHBondContact O-N 3.27Å; N247-K249 VanDerWaalsContact C-N 3.32Å; N247-K249 PolarHBondContact O-N 2.51Å; K249-R252 PolarHBondContact O-N 2.81Å; K249-R253 WeakPolarHBondContact O-CG 3.39Å; K249-R253 PolarHBondContact O-N 3Å |
| 250 | H | 72.8 | Confident | 77.6 | Confident | 109 Ų | 109 | 129.8 Ų | 129.8 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.8 | -44.9 | 175.7 | -173.4 | -94.4 | 0 | 0 | 0 | 111.3 | R246 N247 R253 R254 | R246-H250 WeakPolarHBondContact O-CB 3.24Å; R246-H250 PolarHBondContact O-N 3.22Å; N247-H250 WeakPolarHBondContact O-CB 3.35Å; N247-H250 PolarHBondContact O-N 3.05Å; N247-H250 VanDerWaalsContact O-N 3.17Å; H250-R253 WeakPolarHBondContact O-CB 3.38Å; H250-R253 PolarHBondContact O-N 3.02Å; H250-R254 WeakPolarHBondContact O-CB 3.28Å; H250-R254 PolarHBondContact O-N 2.62Å |
| 251 | D | 72.7 | Confident | 76.3 | Confident | 99 Ų | 99 | 131.9 Ų | 131.9 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64 | -41.5 | 176.2 | -86.7 | -11.8 | 0 | 0 | 0 | 112.8 | N247 R253 R254 K255 | N247-D251 PolarHBondContact O-N 3.45Å; D251-R253 VanDerWaalsContact C-N 3.32Å; D251-R253 PolarHBondContact O-N 3.29Å; D251-R254 PolarHBondContact O-N 2.65Å; D251-K255 WeakPolarHBondContact O-CB 3.28Å; D251-K255 PolarHBondContact O-N 3.29Å |
| 252 | R | 73.3 | Confident | 75.2 | Confident | 203 Ų | 203 | 137 Ų | 137 | 77% | 0.766 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58.7 | -43.2 | 172.4 | -76 | 180 | 179.5 | -171.6 | 0 | 111.7 | K248 K249 K256 | K248-R252 WeakPolarHBondContact O-CG 3.37Å; K248-R252 PolarHBondContact O-N 2.99Å; K249-R252 PolarHBondContact O-N 2.81Å; R252-K256 PolarHBondContact O-N 3.04Å; R252-K256 VanDerWaalsContact O-N 3.1Å |
| 253 | R | 71.4 | Confident | 73.9 | Confident | 158 Ų | 158 | 141.8 Ų | 141.8 | 60% | 0.596 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -40 | 175.5 | -75.1 | 177.8 | 172.4 | -176 | -4.3 | 112.1 | K249 H250 D251 K256 R257 | K249-R253 WeakPolarHBondContact O-CG 3.39Å; K249-R253 PolarHBondContact O-N 3Å; H250-R253 WeakPolarHBondContact O-CB 3.38Å; H250-R253 PolarHBondContact O-N 3.02Å; D251-R253 VanDerWaalsContact C-N 3.32Å; D251-R253 PolarHBondContact O-N 3.29Å; R253-K256 PolarHBondContact O-N 2.87Å; R253-R257 PolarHBondContact O-N 3.26Å |
| 254 | R | 71.9 | Confident | 72.7 | Confident | 138 Ų | 138 | 147.4 Ų | 147.4 | 52% | 0.521 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.3 | -39.6 | 178.6 | -156.4 | 176.1 | -172.1 | -175 | 2.9 | 111.6 | H250 D251 R257 R258 | H250-R254 WeakPolarHBondContact O-CB 3.28Å; H250-R254 PolarHBondContact O-N 2.62Å; D251-R254 PolarHBondContact O-N 2.65Å; R254-R257 PolarHBondContact O-N 2.61Å; R254-R258 PolarHBondContact O-N 2.79Å |
| 255 | K | 73.6 | Confident | 71.6 | Confident | 160 Ų | 160 | 150.9 Ų | 150.9 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.3 | -45.8 | 174.4 | -158.5 | 174.4 | -176.4 | -179.6 | 0 | 111.2 | D251 R257 R258 E259 | D251-K255 WeakPolarHBondContact O-CB 3.28Å; D251-K255 PolarHBondContact O-N 3.29Å; K255-R257 PolarHBondContact O-N 3.21Å; K255-R258 PolarHBondContact O-N 2.84Å; K255-E259 PolarHBondContact O-N 3.48Å |
| 256 | K | 73 | Confident | 70.4 | Confident | 147 Ų | 147 | 153.3 Ų | 153.3 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.6 | -39.7 | 175.4 | -161 | 172.1 | -174.3 | 176.6 | 0 | 112.7 | R252 R253 E259 N260 | R252-K256 PolarHBondContact O-N 3.04Å; R252-K256 VanDerWaalsContact O-N 3.1Å; R253-K256 PolarHBondContact O-N 2.87Å; K256-E259 PolarHBondContact O-N 3.06Å; K256-N260 PolarHBondContact O-N 3.18Å |
| 257 | R | 69.9 | Low | 69.2 | Low | 203 Ų | 203 | 148.1 Ų | 148.1 | 77% | 0.766 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.7 | -42.2 | 173.4 | -77.5 | -177.9 | 176.1 | 179.7 | -1.7 | 112.7 | R253 R254 K255 E259 N260 R261 | R253-R257 PolarHBondContact O-N 3.26Å; R254-R257 PolarHBondContact O-N 2.61Å; K255-R257 PolarHBondContact O-N 3.21Å; R257-E259 VanDerWaalsContact C-N 3.34Å; R257-N260 PolarHBondContact O-N 2.96Å; R257-R261 WeakPolarHBondContact O-CB 3.43Å; R257-R261 PolarHBondContact O-N 3.13Å |
| 258 | R | 71.4 | Confident | 68.2 | Low | 164 Ų | 164 | 148.3 Ų | 148.3 | 62% | 0.619 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.3 | -39.7 | 176.1 | -78.6 | -179.6 | 172.6 | 176.5 | -2.5 | 111.9 | R254 K255 R261 R262 | R254-R258 PolarHBondContact O-N 2.79Å; K255-R258 PolarHBondContact O-N 2.84Å; R258-R261 PolarHBondContact O-N 3.01Å; R258-R262 PolarHBondContact O-N 3.17Å |
| 259 | E | 71.3 | Confident | 66.9 | Low | 105 Ų | 105 | 145.5 Ų | 145.5 | 49% | 0.491 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66.4 | -44.2 | 177.7 | -163.3 | 170.4 | -178.3 | 0 | 0 | 112.1 | K255 K256 R257 R261 R262 R263 | K255-E259 PolarHBondContact O-N 3.48Å; K256-E259 PolarHBondContact O-N 3.06Å; R257-E259 VanDerWaalsContact C-N 3.34Å; E259-R261 VanDerWaalsContact C-N 3.33Å; E259-R261 PolarHBondContact O-N 3.3Å; E259-R262 PolarHBondContact O-N 3.44Å; E259-R263 PolarHBondContact O-N 2.97Å |
| 260 | N | 67.8 | Low | 65.7 | Low | 95 Ų | 95 | 150.3 Ų | 150.3 | 51% | 0.508 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -61.5 | -38.2 | 172.1 | -79.7 | 1.3 | 0 | 0 | 0 | 112.6 | K256 R257 R263 R264 | K256-N260 PolarHBondContact O-N 3.18Å; R257-N260 PolarHBondContact O-N 2.96Å; N260-R263 PolarHBondContact O-N 2.93Å; N260-R264 PolarHBondContact O-N 2.9Å; N260-R264 VanDerWaalsContact O-N 3.12Å |
| 261 | R | 65.4 | Low | 64.7 | Low | 187 Ų | 187 | 150.2 Ų | 150.2 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.5 | -37.9 | 177.5 | -153.9 | 176.4 | -172.8 | -179.3 | 2 | 112.1 | R257 R258 E259 R264 N265 | R257-R261 WeakPolarHBondContact O-CB 3.43Å; R257-R261 PolarHBondContact O-N 3.13Å; R258-R261 PolarHBondContact O-N 3.01Å; E259-R261 VanDerWaalsContact C-N 3.33Å; E259-R261 PolarHBondContact O-N 3.3Å; R261-R264 PolarHBondContact O-N 3.14Å; R261-N265 PolarHBondContact O-N 2.91Å; R261-N265 PolarHBondContact O-OD1 3.43Å |
| 262 | R | 65.6 | Low | 63.6 | Low | 196 Ų | 196 | 153.9 Ų | 153.9 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -63.6 | -40.3 | 172.8 | -79.4 | -177.8 | 175.3 | 179.6 | -2.8 | 112.5 | R258 E259 R264 N265 K266 | R258-R262 PolarHBondContact O-N 3.17Å; E259-R262 PolarHBondContact O-N 3.44Å; R262-R264 VanDerWaalsContact C-N 3.34Å; R262-N265 PolarHBondContact O-N 2.91Å; R262-K266 PolarHBondContact O-N 2.79Å; R262-K266 VanDerWaalsContact O-N 3.13Å |
| 263 | R | 63.4 | Low | 62.4 | Low | 176 Ų | 176 | 149.6 Ų | 149.6 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -61.7 | -41 | 174 | -72.6 | -176.6 | -177.3 | -171.4 | 0.5 | 111.9 | E259 N260 | E259-R263 PolarHBondContact O-N 2.97Å; N260-R263 PolarHBondContact O-N 2.93Å |
| 264 | R | 60.3 | Low | 61.4 | Low | 206 Ų | 206 | 147.1 Ų | 147.1 | 78% | 0.777 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -65 | -44.4 | 175.1 | -110.5 | 179.8 | 178.4 | 173.9 | -1.2 | 113.1 | N260 R261 R262 K266 A267 | N260-R264 PolarHBondContact O-N 2.9Å; N260-R264 VanDerWaalsContact O-N 3.12Å; R261-R264 PolarHBondContact O-N 3.14Å; R262-R264 VanDerWaalsContact C-N 3.34Å; R264-K266 PolarHBondContact O-N 2.98Å; R264-A267 PolarHBondContact O-N 2.76Å |
| 265 | N | 58.8 | Low | 60 | Low | 113 Ų | 113 | 148.4 Ų | 148.4 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -70.6 | -30.3 | -177.6 | -74.2 | 12.5 | 0 | 0 | 0 | 113.3 | R261 R262 A267 S268 | R261-N265 PolarHBondContact O-N 2.91Å; R261-N265 PolarHBondContact O-OD1 3.43Å; R262-N265 PolarHBondContact O-N 2.91Å; N265-A267 PolarHBondContact O-N 3.46Å; N265-S268 PolarHBondContact O-N 3.25Å |
| 266 | K | 59.8 | Low | 58.6 | Low | 198 Ų | 198 | 147.1 Ų | 147.1 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -66.3 | -22.2 | 172.1 | -86.3 | -169.3 | 173.3 | -169.9 | 0 | 113.5 | R262 R264 | R262-K266 PolarHBondContact O-N 2.79Å; R262-K266 VanDerWaalsContact O-N 3.13Å; R264-K266 PolarHBondContact O-N 2.98Å |
| 267 | A | 57.3 | Low | 57.4 | Low | 82 Ų | 82 | 147.6 Ų | 147.6 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -6.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R264 N265 | R264-A267 PolarHBondContact O-N 2.76Å; N265-A267 PolarHBondContact O-N 3.46Å |
| 268 | S | 55.6 | Low | 56.1 | Low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -126.7 | 12.6 | -161.4 | -155.8 | 0 | 0 | 0 | 0 | 116.2 | N265 | N265-S268 PolarHBondContact O-N 3.25Š|
| 269 | A | 53.3 | Low | 55.4 | Low | 90 Ų | 90 | 151.9 Ų | 151.9 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | -120.2 | 78 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 270 | Y | 51.8 | Low | 54.5 | Low | 226 Ų | 226 | 154.3 Ų | 154.3 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | -83.2 | 141.4 | 159.2 | -91.1 | -88.3 | 0 | 0 | 0 | 109.4 | ||||
| 271 | C | 50.2 | Low | 53.8 | Low | 107 Ų | 107 | 157.6 Ų | 157.6 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | trans | -52.1 | 143.9 | -169.5 | -49.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 272 | I | 50.8 | Low | 53.1 | Low | 177 Ų | 177 | 155.9 Ų | 155.9 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -143.7 | 126.4 | 134.1 | -59.6 | -172.7 | 0 | 0 | 0 | 108.6 | ||||
| 273 | C | 48 | Very low | 52.3 | Low | 113 Ų | 113 | 153.4 Ų | 153.4 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -74.7 | 160.8 | -179.5 | -74 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 274 | P | 50.6 | Low | 51.6 | Low | 105 Ų | 105 | 151.9 Ų | 151.9 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | trans | -92.2 | 158.8 | -173.2 | 37.3 | -31.8 | 0 | 0 | 0 | 112 | ||||
| 275 | D | 41.9 | Very low | 51 | Low | 166 Ų | 166 | 148 Ų | 148 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -116.8 | 133 | 153.8 | -87.7 | -38.3 | 0 | 0 | 0 | 110.3 | ||||
| 276 | V | 44.3 | Very low | 50.4 | Low | 132 Ų | 132 | 150.7 Ų | 150.7 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -90.1 | 131.1 | 178.4 | 174.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 277 | I | 47.6 | Very low | 49.6 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -120.4 | 134.6 | 165.5 | -57.2 | 179.3 | 0 | 0 | 0 | 106.9 | ||||
| 278 | Y | 43.4 | Very low | 48.9 | Very low | 304 Ų | 304 | 152.6 Ų | 152.6 | 100% | 1.192 | 83% | 0.827 | S | S | * | * | trans | -37.5 | 0 | -177.6 | -76 | -92.9 | 0 | 0 | 0 | 116.5 |
Retrieved 278 of 278 residues in 278.8 ms
(Link to these results)