| 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 | 31.5 | Very low | 31 | Very low | 252 Ų | 252 | 137.3 Ų | 137.3 | 100% | 1.241 | 73% | 0.725 | S | S | * | * | 0 | 100 | 0 | -67 | 172.2 | -174.4 | 0 | 0 | 107.7 | |||||
| 2 | R | 25.7 | Very low | 31 | Very low | 253 Ų | 253 | 130.7 Ų | 130.7 | 96% | 0.955 | 69% | 0.691 | S | S | * | * | trans | -118.2 | 133.1 | 167.7 | -83.8 | -176.3 | -177.1 | 170.7 | 1.4 | 106.3 | G4 | R2-G4 PolarHBondContact O-N 3.06Š| ||
| 3 | A | 27.8 | Very low | 31 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 126.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H5 | A3-H5 PolarHBondContact O-N 3.38Š|
| 4 | G | 29.8 | Very low | 31.2 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | R2 V6 | R2-G4 PolarHBondContact O-N 3.06Å; G4-V6 PolarHBondContact O-N 2.62Å |
| 5 | H | 32.6 | Very low | 31.5 | Very low | 193 Ų | 193 | 123.1 Ų | 123.1 | 89% | 0.894 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 130.5 | 164 | -81.1 | -81.6 | 0 | 0 | 0 | 108 | A3 Y7 | A3-H5 PolarHBondContact O-N 3.38Å; H5-Y7 PolarHBondContact O-N 3.32Å |
| 6 | V | 34.1 | Very low | 31.7 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 83% | 0.83 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 120.1 | 177.5 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | G4 D8 | G4-V6 PolarHBondContact O-N 2.62Å; V6-D8 PolarHBondContact O-N 3.28Å |
| 7 | Y | 28.1 | Very low | 31.9 | Very low | 165 Ų | 165 | 119.6 Ų | 119.6 | 65% | 0.647 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 117.3 | 174.9 | -160.1 | -100.3 | 0 | 0 | 0 | 108.2 | H5 P9 | H5-Y7 PolarHBondContact O-N 3.32Å; Y7-P9 HydrophobicContact CD1-CB 4.42Å; Y7-P9 HydrophobicContact CE1-CB 4.41Å; Y7-P9 WeakPolarHBondContact O-CD 3.42Å |
| 8 | D | 33.9 | Very low | 32.2 | Very low | 79 Ų | 79 | 116.6 Ų | 116.6 | 42% | 0.422 | 63% | 0.626 | S | S | . | * | trans | -106.5 | 94.7 | 175.1 | -164.4 | -24 | 0 | 0 | 0 | 108.9 | V6 L10 I11 D12 | V6-D8 PolarHBondContact O-N 3.28Å; D8-L10 PolarHBondContact O-N 2.85Å; D8-L10 PolarHBondContact OD1-N 3.42Å; D8-I11 PolarHBondContact O-N 3.33Å; D8-D12 PolarHBondContact O-N 3.29Å | ||
| 9 | P | 32.4 | Very low | 32.6 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66 | -9.1 | -169.4 | 25.5 | -33.3 | 0 | 0 | 0 | 113.9 | Y7 H13 | Y7-P9 HydrophobicContact CD1-CB 4.42Å; Y7-P9 HydrophobicContact CE1-CB 4.41Å; Y7-P9 WeakPolarHBondContact O-CD 3.42Å; P9-H13 WeakPolarHBondContact O-CB 3.4Å; P9-H13 PolarHBondContact O-CD2 3.38Å |
| 10 | L | 33 | Very low | 32.6 | Very low | 92 Ų | 92 | 115.5 Ų | 115.5 | 48% | 0.482 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -87.3 | -36.6 | 178 | -141.8 | 85.1 | 0 | 0 | 0 | 112.6 | D8 Y37 | D8-L10 PolarHBondContact O-N 2.85Å; D8-L10 PolarHBondContact OD1-N 3.42Å; L10-Y37 VanDerWaalsContact CD2-O 3.29Å; L10-Y37 WeakPolarHBondContact CD2-O 3.36Å |
| 11 | I | 31.7 | Very low | 32.3 | Very low | 97 Ų | 97 | 120 Ų | 120 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -81.2 | -41.3 | -179.8 | -70.8 | 164.5 | 0 | 0 | 0 | 110.2 | D8 L14 L15 | D8-I11 PolarHBondContact O-N 3.33Å; I11-L14 PolarHBondContact O-N 2.86Å; I11-L15 HydrophobicContact CG2-CD1 3.78Å; I11-L15 WeakPolarHBondContact O-CD1 3.48Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 3.29Å |
| 12 | D | 31.6 | Very low | 32.7 | Very low | 58 Ų | 58 | 113.8 Ų | 113.8 | 31% | 0.31 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.1 | -28.7 | -177.5 | -70.7 | -26.3 | 0 | 0 | 0 | 112.4 | D8 L15 E16 | D8-D12 PolarHBondContact O-N 3.29Å; D12-L15 PolarHBondContact O-N 2.8Å; D12-E16 PolarHBondContact O-N 3.29Å; D12-E16 VanDerWaalsContact O-N 3.1Å |
| 13 | H | 31.3 | Very low | 33.5 | Very low | 146 Ų | 146 | 105.2 Ų | 105.2 | 68% | 0.676 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.9 | -25.9 | 173.5 | -97.5 | -41.8 | 0 | 0 | 0 | 114.5 | P9 L15 | P9-H13 WeakPolarHBondContact O-CB 3.4Å; P9-H13 PolarHBondContact O-CD2 3.38Å; H13-L15 VanDerWaalsContact C-N 3.27Å |
| 14 | L | 34.1 | Very low | 34.4 | Very low | 57 Ų | 57 | 111.7 Ų | 111.7 | 30% | 0.298 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.8 | -18.5 | 171.3 | -78 | 165.9 | 0 | 0 | 0 | 112 | I11 I33 | I11-L14 PolarHBondContact O-N 2.86Å; L14-I33 HydrophobicContact CD1-CG2 3.59Å |
| 15 | L | 35.3 | Very low | 35.2 | Very low | 75 Ų | 75 | 111.2 Ų | 111.2 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -99 | -21.9 | -175.4 | -72.7 | 170.8 | 0 | 0 | 0 | 114.6 | I11 D12 H13 | I11-L15 HydrophobicContact CG2-CD1 3.78Å; I11-L15 WeakPolarHBondContact O-CD1 3.48Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.3Å; I11-L15 PolarHBondContact O-N 3.29Å; D12-L15 PolarHBondContact O-N 2.8Å; H13-L15 VanDerWaalsContact C-N 3.27Å |
| 16 | E | 33.8 | Very low | 36.1 | Very low | 112 Ų | 112 | 103.4 Ų | 103.4 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -77.1 | -30.3 | -168.2 | -87.6 | -170.3 | 156.5 | 0 | 0 | 116.3 | D12 R20 | D12-E16 PolarHBondContact O-N 3.29Å; D12-E16 VanDerWaalsContact O-N 3.1Å; E16-R20 PolarHBondContact O-NE 2.94Å |
| 17 | D | 36.1 | Very low | 37.1 | Very low | 75 Ų | 75 | 104.5 Ų | 104.5 | 40% | 0.401 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -156.8 | 40.1 | 179.9 | -88.3 | -45.9 | 0 | 0 | 0 | 117 | R20 F143 | D17-R20 IonicContact OD1-CZ 2.72Å; D17-R20 IonicContact OD1-NE 2.68Å; D17-R20 PolarHBondContact OD1-NE 2.86Å; D17-R20 IonicContact OD1-NH2 3.92Å; D17-R20 PolarHBondContact OD1-NH2 3.49Å; D17-R20 IonicContact OD2-CZ 3.83Å; D17-R20 IonicContact OD2-NE 3.09Å; D17-R20 IonicContact OD2-NH2 2.96Å; D17-R20 PolarHBondContact OD2-NH2 3.4Å; D17-F143 HydrophobicContact CB-CD1 3.98Å; D17-F143 HydrophobicContact CB-CE1 3.56Å; D17-F143 HydrophobicContact CB-CZ 3.93Å; D17-F143 WeakPolarHBondContact OD2-CE1 3.49Å; D17-F143 WeakPolarHBondContact OD2-CZ 3.26Å |
| 18 | G | 37.3 | Very low | 38.3 | Very low | 66 Ų | 66 | 98 Ų | 98 | 68% | 0.68 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -127.2 | -24.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 19 | C | 39.2 | Very low | 39.3 | Very low | 36 Ų | 36 | 94.5 Ų | 94.5 | 24% | 0.243 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -146.1 | 67 | 177.7 | -45.7 | 0 | 0 | 0 | 0 | 109.3 | Y21 C89 | C19-Y21 PolarHBondContact O-N 2.86Å; C19-Y21 VanDerWaalsContact O-N 3.12Å; C19-C89 HydrophobicContact CB-CB 4.06Å; C19-C89 WeakPolarHBondContact CB-SG 3.27Å; C19-C89 WeakPolarHBondContact SG-CB 3.46Å; C19-C89 CovalentContact SG-SG 2.02Å; C19-C89 PolarHBondContact SG-SG 3.33Å |
| 20 | R | 33.2 | Very low | 40.4 | Very low | 174 Ų | 174 | 98 Ų | 98 | 66% | 0.657 | 48% | 0.476 | S | S | * | . | trans | -65.5 | 112.7 | 176.9 | -88.4 | -169.1 | -177.5 | -178 | 8.7 | 111.1 | E16 D17 | E16-R20 PolarHBondContact O-NE 2.94Å; D17-R20 IonicContact OD1-CZ 2.72Å; D17-R20 IonicContact OD1-NE 2.68Å; D17-R20 PolarHBondContact OD1-NE 2.86Å; D17-R20 IonicContact OD1-NH2 3.92Å; D17-R20 PolarHBondContact OD1-NH2 3.49Å; D17-R20 IonicContact OD2-CZ 3.83Å; D17-R20 IonicContact OD2-NE 3.09Å; D17-R20 IonicContact OD2-NH2 2.96Å; D17-R20 PolarHBondContact OD2-NH2 3.4Å | ||
| 21 | Y | 26 | Very low | 41.7 | Very low | 210 Ų | 210 | 96.7 Ų | 96.7 | 82% | 0.824 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 64.5 | 147.7 | 157.5 | -99.1 | -92.9 | 0 | 0 | 0 | 119.7 | C19 V23 | C19-Y21 PolarHBondContact O-N 2.86Å; C19-Y21 VanDerWaalsContact O-N 3.12Å; Y21-V23 PolarHBondContact O-N 3.24Å |
| 22 | P | 39.4 | Very low | 43 | Very low | 122 Ų | 122 | 92.1 Ų | 92.1 | 79% | 0.792 | 44% | 0.444 | S | S | * | . | -69 | 74 | -101.4 | 38.6 | -22.2 | 0 | 0 | 0 | 110.8 | R24 | P22-R24 PolarHBondContact O-N 2.76Š| |||
| 23 | V | 42.9 | Very low | 44.3 | Very low | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | trans | -69.6 | 110 | 162.7 | -170.3 | 0 | 0 | 0 | 0 | 104.2 | Y21 Q25 | Y21-V23 PolarHBondContact O-N 3.24Å; V23-Q25 VanDerWaalsContact C-N 3.31Å; V23-Q25 PolarHBondContact O-N 2.84Å | ||
| 24 | R | 45.7 | Very low | 45.8 | Very low | 233 Ų | 233 | 90.3 Ų | 90.3 | 88% | 0.879 | 44% | 0.435 | S | S | * | . | trans | -50 | 103.4 | 173.8 | -80.2 | -179.8 | 175.6 | 176.7 | -1.2 | 106.5 | P22 T26 | P22-R24 PolarHBondContact O-N 2.76Å; R24-T26 PolarHBondContact O-N 3.33Å; R24-T26 VanDerWaalsContact O-N 3.1Å | ||
| 25 | Q | 47.7 | Very low | 47 | Very low | 59 Ų | 59 | 89.1 Ų | 89.1 | 28% | 0.276 | 43% | 0.43 | S | S | . | . | trans | -50.1 | 124.5 | 168.7 | -77.6 | 177.5 | -19.6 | 0 | 0 | 106 | V23 E29 | V23-Q25 VanDerWaalsContact C-N 3.31Å; V23-Q25 PolarHBondContact O-N 2.84Å; Q25-E29 WeakPolarHBondContact CA-OE2 3.31Å | ||
| 26 | T | 50.8 | Low | 48.1 | Very low | 29 Ų | 29 | 85.5 Ų | 85.5 | 18% | 0.178 | 41% | 0.411 | C | S | . | . | trans | -65.4 | 155.3 | 177.9 | 64.5 | 0 | 0 | 0 | 0 | 107.9 | R24 L28 E29 R30 | R24-T26 PolarHBondContact O-N 3.33Å; R24-T26 VanDerWaalsContact O-N 3.1Å; T26-L28 PolarHBondContact O-N 3.24Å; T26-E29 PolarHBondContact N-OE2 3.24Å; T26-E29 PolarHBondContact O-N 2.82Å; T26-E29 VanDerWaalsContact O-N 3.14Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3.24Å; T26-E29 PolarHBondContact OG1-OE2 2.91Å; T26-R30 PolarHBondContact O-N 2.9Å; T26-R30 VanDerWaalsContact O-N 3.09Å | ||
| 27 | F | 56.7 | Low | 49.2 | Very low | 160 Ų | 160 | 81.8 Ų | 81.8 | 70% | 0.702 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -53.2 | -39.8 | 178 | 176.8 | -93.8 | 0 | 0 | 0 | 111.3 | R30 E31 | F27-R30 PolarHBondContact O-N 3.43Å; F27-E31 VanDerWaalsContact CE1-OE2 3.31Å; F27-E31 WeakPolarHBondContact CE1-OE2 3.35Å; F27-E31 WeakPolarHBondContact O-CB 3.36Å; F27-E31 PolarHBondContact O-N 3.3Å |
| 28 | L | 53 | Low | 50 | Low | 30 Ų | 30 | 80.5 Ų | 80.5 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 178.5 | -64 | 174 | 0 | 0 | 0 | 113.4 | T26 R30 F32 I160 | T26-L28 PolarHBondContact O-N 3.24Å; L28-R30 VanDerWaalsContact C-N 3.33Å; L28-F32 VanDerWaalsContact O-CB 3.26Å; L28-F32 WeakPolarHBondContact O-CB 3.29Å; L28-F32 PolarHBondContact O-N 3.42Å; L28-I160 HydrophobicContact CD2-CD1 3.59Å; L28-I160 HydrophobicContact CD2-CG1 4.1Å |
| 29 | E | 53.1 | Low | 50.8 | Low | 4 Ų | 4 | 84.9 Ų | 84.9 | 2% | 0.019 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 176.7 | -74.1 | 162.4 | 162.5 | 0 | 0 | 111.3 | Q25 T26 I33 C89 S90 L95 | Q25-E29 WeakPolarHBondContact CA-OE2 3.31Å; T26-E29 PolarHBondContact N-OE2 3.24Å; T26-E29 PolarHBondContact O-N 2.82Å; T26-E29 VanDerWaalsContact O-N 3.14Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-N 3.24Å; T26-E29 PolarHBondContact OG1-OE2 2.91Å; E29-I33 WeakPolarHBondContact O-CB 3.32Å; E29-I33 WeakPolarHBondContact O-CD1 3.18Å; E29-I33 WeakPolarHBondContact O-CG1 3.4Å; E29-I33 PolarHBondContact O-N 3.43Å; E29-C89 WeakPolarHBondContact OE1-CA 3.32Å; E29-S90 PolarHBondContact OE1-N 2.9Å; E29-L95 HydrophobicContact CG-CD1 3.81Å |
| 30 | R | 57.3 | Low | 51.4 | Low | 148 Ų | 148 | 84.7 Ų | 84.7 | 56% | 0.558 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67 | -46.8 | 177 | -174.6 | -179.7 | -64.5 | 174.7 | -0.1 | 111.6 | T26 F27 L28 F32 I33 E34 | T26-R30 PolarHBondContact O-N 2.9Å; T26-R30 VanDerWaalsContact O-N 3.09Å; F27-R30 PolarHBondContact O-N 3.43Å; L28-R30 VanDerWaalsContact C-N 3.33Å; R30-F32 VanDerWaalsContact C-N 3.32Å; R30-F32 PolarHBondContact O-N 3.36Å; R30-I33 PolarHBondContact O-N 2.9Å; R30-E34 WeakPolarHBondContact O-CB 3.37Å; R30-E34 PolarHBondContact O-N 3.46Å |
| 31 | E | 58.7 | Low | 52.3 | Low | 66 Ų | 66 | 81.4 Ų | 81.4 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 177 | -173.5 | 175.2 | -157.8 | 0 | 0 | 110.6 | F27 I33 E34 V35 F56 | F27-E31 VanDerWaalsContact CE1-OE2 3.31Å; F27-E31 WeakPolarHBondContact CE1-OE2 3.35Å; F27-E31 WeakPolarHBondContact O-CB 3.36Å; F27-E31 PolarHBondContact O-N 3.3Å; E31-I33 PolarHBondContact O-N 2.96Å; E31-E34 PolarHBondContact O-N 2.93Å; E31-V35 VanDerWaalsContact O-CB 3.24Å; E31-V35 WeakPolarHBondContact O-CB 3.25Å; E31-V35 WeakPolarHBondContact O-CG2 3.49Å; E31-V35 PolarHBondContact O-N 3.25Å; E31-F56 HydrophobicContact CG-CZ 4.27Å |
| 32 | F | 59.2 | Low | 53.7 | Low | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 174.5 | -178.4 | -86.5 | 0 | 0 | 0 | 112.2 | L28 R30 E34 V35 V36 Y37 I51 F56 P87 L95 L97 | L28-F32 VanDerWaalsContact O-CB 3.26Å; L28-F32 WeakPolarHBondContact O-CB 3.29Å; L28-F32 PolarHBondContact O-N 3.42Å; R30-F32 VanDerWaalsContact C-N 3.32Å; R30-F32 PolarHBondContact O-N 3.36Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.98Å; F32-V35 PolarHBondContact O-N 3.32Å; F32-V36 HydrophobicContact CD1-CB 4.41Å; F32-V36 HydrophobicContact CD1-CG2 4.08Å; F32-V36 HydrophobicContact CD2-CG2 3.96Å; F32-V36 HydrophobicContact CE1-CB 4.12Å; F32-V36 HydrophobicContact CE1-CG1 4.27Å; F32-V36 HydrophobicContact CE1-CG2 3.85Å; F32-V36 HydrophobicContact CE2-CG2 3.77Å; F32-V36 HydrophobicContact CG-CG2 4.13Å; F32-V36 HydrophobicContact CZ-CB 4.35Å; F32-V36 HydrophobicContact CZ-CG1 4.35Å; F32-V36 HydrophobicContact CZ-CG2 3.69Å; F32-V36 WeakPolarHBondContact O-CB 3.26Å; F32-V36 WeakPolarHBondContact O-CG2 3.41Å; F32-V36 PolarHBondContact O-N 2.96Å; F32-Y37 HydrophobicContact CE1-CE2 4.26Å; F32-I51 HydrophobicContact CD2-CG1 4.49Å; F32-I51 HydrophobicContact CE2-CD1 3.48Å; F32-I51 VanDerWaalsContact CE2-CD1 3.48Å; F32-I51 HydrophobicContact CE2-CG1 3.64Å; F32-I51 HydrophobicContact CE2-CG2 4.22Å; F32-I51 HydrophobicContact CZ-CD1 3.42Å; F32-I51 VanDerWaalsContact CZ-CD1 3.42Å; F32-I51 HydrophobicContact CZ-CG1 4.04Å; F32-F56 HydrophobicContact CD2-CD1 4.41Å; F32-F56 HydrophobicContact CD2-CG 4.37Å; F32-P87 HydrophobicContact CD1-CB 3.91Å; F32-P87 HydrophobicContact CD1-CG 4.01Å; F32-P87 HydrophobicContact CE1-CB 3.94Å; F32-P87 HydrophobicContact CE1-CG 3.98Å; F32-L95 HydrophobicContact CB-CD1 4.46Å; F32-L95 HydrophobicContact CB-CD2 4.04Å; F32-L95 HydrophobicContact CD2-CD2 3.7Å; F32-L95 HydrophobicContact CE2-CD2 4.39Å; F32-L95 HydrophobicContact CG-CD1 4.5Å; F32-L95 HydrophobicContact CG-CD2 3.99Å; F32-L97 HydrophobicContact CE1-CD1 4.27Å; F32-L97 HydrophobicContact CE2-CD1 3.93Å; F32-L97 HydrophobicContact CZ-CD1 3.39Å |
| 33 | I | 60.4 | Low | 54.7 | Low | 34 Ų | 34 | 76.8 Ų | 76.8 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | -179.6 | -73.7 | 166 | 0 | 0 | 0 | 110.9 | L14 E29 R30 E31 Y37 G38 P87 | L14-I33 HydrophobicContact CD1-CG2 3.59Å; E29-I33 WeakPolarHBondContact O-CB 3.32Å; E29-I33 WeakPolarHBondContact O-CD1 3.18Å; E29-I33 WeakPolarHBondContact O-CG1 3.4Å; E29-I33 PolarHBondContact O-N 3.43Å; R30-I33 PolarHBondContact O-N 2.9Å; E31-I33 PolarHBondContact O-N 2.96Å; I33-Y37 HydrophobicContact CG2-CD2 4.41Å; I33-Y37 WeakPolarHBondContact O-CA 3.35Å; I33-Y37 WeakPolarHBondContact O-CB 3.48Å; I33-Y37 PolarHBondContact O-N 3.49Å; I33-G38 PolarHBondContact O-N 3.36Å; I33-P87 HydrophobicContact CG1-CG 4.11Å |
| 34 | E | 61.2 | Low | 55.4 | Low | 132 Ų | 132 | 74.8 Ų | 74.8 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 179.7 | -173.2 | 172.9 | -179.5 | 0 | 0 | 111.8 | R30 E31 F32 G38 | R30-E34 WeakPolarHBondContact O-CB 3.37Å; R30-E34 PolarHBondContact O-N 3.46Å; E31-E34 PolarHBondContact O-N 2.93Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.98Å; E34-G38 WeakPolarHBondContact O-CA 3.3Å; E34-G38 PolarHBondContact O-N 3.28Å |
| 35 | V | 59.8 | Low | 56.1 | Low | 32 Ų | 32 | 66.8 Ų | 66.8 | 19% | 0.194 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.6 | -48.5 | 178.1 | 161.8 | 0 | 0 | 0 | 0 | 111.6 | E31 F32 T50 D54 F56 | E31-V35 VanDerWaalsContact O-CB 3.24Å; E31-V35 WeakPolarHBondContact O-CB 3.25Å; E31-V35 WeakPolarHBondContact O-CG2 3.49Å; E31-V35 PolarHBondContact O-N 3.25Å; F32-V35 PolarHBondContact O-N 3.32Å; V35-T50 HydrophobicContact CG1-CG2 3.44Å; V35-T50 VanDerWaalsContact CG1-CG2 3.44Å; V35-D54 WeakPolarHBondContact CG1-OD2 3.5Å; V35-F56 HydrophobicContact CG1-CE2 4.32Å |
| 36 | V | 57.8 | Low | 56.8 | Low | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -84.6 | -34.4 | -169 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | F32 R47 I51 | F32-V36 HydrophobicContact CD1-CB 4.41Å; F32-V36 HydrophobicContact CD1-CG2 4.08Å; F32-V36 HydrophobicContact CD2-CG2 3.96Å; F32-V36 HydrophobicContact CE1-CB 4.12Å; F32-V36 HydrophobicContact CE1-CG1 4.27Å; F32-V36 HydrophobicContact CE1-CG2 3.85Å; F32-V36 HydrophobicContact CE2-CG2 3.77Å; F32-V36 HydrophobicContact CG-CG2 4.13Å; F32-V36 HydrophobicContact CZ-CB 4.35Å; F32-V36 HydrophobicContact CZ-CG1 4.35Å; F32-V36 HydrophobicContact CZ-CG2 3.69Å; F32-V36 WeakPolarHBondContact O-CB 3.26Å; F32-V36 WeakPolarHBondContact O-CG2 3.41Å; F32-V36 PolarHBondContact O-N 2.96Å; V36-R47 HydrophobicContact CG1-CB 3.87Å; V36-R47 HydrophobicContact CG1-CG 4.13Å; V36-R47 WeakPolarHBondContact O-CG 3.35Å; V36-I51 HydrophobicContact CG1-CD1 4.09Å; V36-I51 HydrophobicContact CG1-CG1 4.47Å; V36-I51 HydrophobicContact CG2-CD1 3.68Å; V36-I51 HydrophobicContact CG2-CG1 3.3Å |
| 37 | Y | 57.4 | Low | 57.4 | Low | 33 Ų | 33 | 65.5 Ų | 65.5 | 13% | 0.129 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -112.5 | -19.5 | -176.5 | -57.4 | -86.9 | 0 | 0 | 0 | 113.4 | L10 F32 I33 L85 | L10-Y37 VanDerWaalsContact CD2-O 3.29Å; L10-Y37 WeakPolarHBondContact CD2-O 3.36Å; F32-Y37 HydrophobicContact CE1-CE2 4.26Å; I33-Y37 HydrophobicContact CG2-CD2 4.41Å; I33-Y37 WeakPolarHBondContact O-CA 3.35Å; I33-Y37 WeakPolarHBondContact O-CB 3.48Å; I33-Y37 PolarHBondContact O-N 3.49Å; Y37-L85 PolarHBondContact OH-O 3.41Å |
| 38 | G | 53.6 | Low | 57.7 | Low | 49 Ų | 49 | 57.9 Ų | 57.9 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -81.2 | -28.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I33 E34 | I33-G38 PolarHBondContact O-N 3.36Å; E34-G38 WeakPolarHBondContact O-CA 3.3Å; E34-G38 PolarHBondContact O-N 3.28Å |
| 39 | N | 53.4 | Low | 58.4 | Low | 157 Ų | 157 | 61 Ų | 61 | 84% | 0.84 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -124.8 | -4.9 | -170.1 | -105.2 | -15 | 0 | 0 | 0 | 116.2 | ||
| 40 | V | 53.3 | Low | 59 | Low | 33 Ų | 33 | 62 Ų | 62 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -111 | 130.2 | -168.3 | -167 | 0 | 0 | 0 | 0 | 111.7 | G42 T50 | V40-G42 PolarHBondContact O-N 3.45Å; V40-T50 HydrophobicContact CG2-CG2 4.31Å; V40-T50 WeakPolarHBondContact CG2-OG1 3.36Å |
| 41 | T | 51.8 | Low | 59.4 | Low | 105 Ų | 105 | 54.9 Ų | 54.9 | 64% | 0.644 | 31% | 0.309 | S | S | * | . | trans | -45.1 | 135.7 | 169.1 | 52 | 0 | 0 | 0 | 0 | 110.3 | Y43 | T41-Y43 PolarHBondContact O-N 2.99Š| ||
| 42 | G | 54.5 | Low | 59.8 | Low | 63 Ų | 63 | 53.8 Ų | 53.8 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -59.2 | 20.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | V40 | V40-G42 PolarHBondContact O-N 3.45Š|
| 43 | Y | 59.9 | Low | 60.3 | Low | 171 Ų | 171 | 60.1 Ų | 60.1 | 67% | 0.671 | 34% | 0.336 | S | S | * | . | trans | -91.8 | 132.4 | 173.2 | -60.1 | -75.6 | 0 | 0 | 0 | 111.5 | T41 S45 G46 R47 | T41-Y43 PolarHBondContact O-N 2.99Å; Y43-S45 VanDerWaalsContact C-N 3.26Å; Y43-S45 PolarHBondContact O-N 3.44Å; Y43-G46 PolarHBondContact O-N 2.98Å; Y43-G46 VanDerWaalsContact O-N 3.12Å; Y43-R47 PolarHBondContact O-N 3.44Å | ||
| 44 | V | 58.6 | Low | 60.6 | Low | 33 Ų | 33 | 62.5 Ų | 62.5 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.9 | -35.6 | -179 | 174.9 | 0 | 0 | 0 | 0 | 112.2 | G46 R47 I48 V82 E83 | V44-G46 VanDerWaalsContact C-N 3.34Å; V44-G46 PolarHBondContact O-N 2.73Å; V44-R47 WeakPolarHBondContact O-CB 3.28Å; V44-R47 PolarHBondContact O-N 3.36Å; V44-I48 HydrophobicContact CG1-CD1 3.98Å; V44-I48 HydrophobicContact CG1-CG1 4.37Å; V44-I48 WeakPolarHBondContact O-CG1 3.48Å; V44-I48 PolarHBondContact O-N 2.89Å; V44-V82 HydrophobicContact CG1-CG1 4.07Å; V44-V82 WeakPolarHBondContact CG1-O 3.13Å; V44-E83 VanDerWaalsContact CG2-O 3.29Å; V44-E83 WeakPolarHBondContact CG2-O 3.42Å |
| 45 | S | 59.8 | Low | 60.7 | Low | 64 Ų | 64 | 57.4 Ų | 57.4 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 175.8 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | Y43 R47 I48 Q49 | Y43-S45 VanDerWaalsContact C-N 3.26Å; Y43-S45 PolarHBondContact O-N 3.44Å; S45-R47 VanDerWaalsContact C-N 3.35Å; S45-I48 PolarHBondContact O-N 3.34Å; S45-Q49 WeakPolarHBondContact O-CB 3.25Å; S45-Q49 PolarHBondContact O-N 3.02Å |
| 46 | G | 63.1 | Low | 60.6 | Low | 12 Ų | 12 | 57.2 Ų | 57.2 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.1 | -36.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y43 V44 Q49 T50 | Y43-G46 PolarHBondContact O-N 2.98Å; Y43-G46 VanDerWaalsContact O-N 3.12Å; V44-G46 VanDerWaalsContact C-N 3.34Å; V44-G46 PolarHBondContact O-N 2.73Å; G46-Q49 PolarHBondContact O-N 2.92Å; G46-T50 PolarHBondContact O-N 2.85Å; G46-T50 PolarHBondContact O-OG1 3.34Å |
| 47 | R | 63.7 | Low | 60.9 | Low | 49 Ų | 49 | 57.5 Ų | 57.5 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 175.9 | -65.8 | -171.7 | -171.7 | 160 | 0.8 | 111.8 | V36 Y43 V44 S45 T50 I51 L85 | V36-R47 HydrophobicContact CG1-CB 3.87Å; V36-R47 HydrophobicContact CG1-CG 4.13Å; V36-R47 WeakPolarHBondContact O-CG 3.35Å; Y43-R47 PolarHBondContact O-N 3.44Å; V44-R47 WeakPolarHBondContact O-CB 3.28Å; V44-R47 PolarHBondContact O-N 3.36Å; S45-R47 VanDerWaalsContact C-N 3.35Å; R47-T50 PolarHBondContact O-N 3.43Å; R47-I51 WeakPolarHBondContact O-CG1 3.46Å; R47-I51 PolarHBondContact O-N 3.48Å; R47-L85 HydrophobicContact CB-CD1 4.37Å |
| 48 | I | 62.2 | Low | 61.4 | Low | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 176.8 | -52.7 | 158.4 | 0 | 0 | 0 | 110.1 | V44 S45 T50 I51 V52 W59 Y79 V82 L85 | V44-I48 HydrophobicContact CG1-CD1 3.98Å; V44-I48 HydrophobicContact CG1-CG1 4.37Å; V44-I48 WeakPolarHBondContact O-CG1 3.48Å; V44-I48 PolarHBondContact O-N 2.89Å; S45-I48 PolarHBondContact O-N 3.34Å; I48-T50 PolarHBondContact O-N 2.95Å; I48-I51 PolarHBondContact O-N 3.05Å; I48-I51 VanDerWaalsContact O-N 3.16Å; I48-V52 HydrophobicContact CG2-CG2 4.18Å; I48-V52 VanDerWaalsContact O-CG2 3.25Å; I48-V52 WeakPolarHBondContact O-CG2 3.25Å; I48-V52 PolarHBondContact O-N 2.99Å; I48-W59 HydrophobicContact CG2-CE3 4.39Å; I48-W59 HydrophobicContact CG2-CZ3 4.27Å; I48-Y79 HydrophobicContact CB-CD1 3.8Å; I48-Y79 HydrophobicContact CB-CE1 3.71Å; I48-Y79 HydrophobicContact CB-CG 4.5Å; I48-Y79 HydrophobicContact CD1-CD1 3.41Å; I48-Y79 VanDerWaalsContact CD1-CD1 3.41Å; I48-Y79 HydrophobicContact CD1-CE1 4.19Å; I48-Y79 HydrophobicContact CD1-CG 3.94Å; I48-Y79 HydrophobicContact CG1-CD1 4.17Å; I48-Y79 HydrophobicContact CG2-CD1 3.55Å; I48-Y79 HydrophobicContact CG2-CE1 3.08Å; I48-V82 HydrophobicContact CD1-CB 3.56Å; I48-V82 HydrophobicContact CD1-CG1 3.53Å; I48-V82 HydrophobicContact CD1-CG2 4.04Å; I48-V82 HydrophobicContact CG1-CG1 4.31Å; I48-L85 HydrophobicContact CB-CD1 3.97Å; I48-L85 HydrophobicContact CD1-CD1 4.46Å; I48-L85 HydrophobicContact CG1-CD1 3.22Å; I48-L85 HydrophobicContact CG1-CD2 4.32Å; I48-L85 HydrophobicContact CG1-CG 3.84Å; I48-L85 HydrophobicContact CG2-CD1 4.47Å |
| 49 | Q | 67.4 | Low | 62.1 | Low | 95 Ų | 95 | 57 Ų | 57 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54 | -44 | 176.7 | -179 | 175.7 | -1.5 | 0 | 0 | 111.6 | S45 G46 I51 V52 E53 | S45-Q49 WeakPolarHBondContact O-CB 3.25Å; S45-Q49 PolarHBondContact O-N 3.02Å; G46-Q49 PolarHBondContact O-N 2.92Å; Q49-I51 PolarHBondContact O-N 2.87Å; Q49-V52 PolarHBondContact O-N 3.12Å; Q49-E53 HydrophobicContact CG-CG 4.25Å; Q49-E53 VanDerWaalsContact CG-OE1 3.3Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.25Å; Q49-E53 PolarHBondContact NE2-OE1 2.91Å; Q49-E53 WeakPolarHBondContact O-CB 3.47Å; Q49-E53 WeakPolarHBondContact O-CG 2.97Å; Q49-E53 PolarHBondContact O-N 2.86Å |
| 50 | T | 66.9 | Low | 62.7 | Low | 24 Ų | 24 | 54.3 Ų | 54.3 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 179.6 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | V35 V40 G46 R47 I48 V52 E53 D54 | V35-T50 HydrophobicContact CG1-CG2 3.44Å; V35-T50 VanDerWaalsContact CG1-CG2 3.44Å; V40-T50 HydrophobicContact CG2-CG2 4.31Å; V40-T50 WeakPolarHBondContact CG2-OG1 3.36Å; G46-T50 PolarHBondContact O-N 2.85Å; G46-T50 PolarHBondContact O-OG1 3.34Å; R47-T50 PolarHBondContact O-N 3.43Å; I48-T50 PolarHBondContact O-N 2.95Å; T50-V52 VanDerWaalsContact C-N 3.25Å; T50-V52 PolarHBondContact O-N 3.45Å; T50-E53 PolarHBondContact O-N 3.27Å; T50-D54 VanDerWaalsContact O-CB 3.31Å; T50-D54 WeakPolarHBondContact O-CB 3.49Å; T50-D54 PolarHBondContact O-N 2.98Å |
| 51 | I | 65.3 | Low | 63.1 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -35 | 177.3 | -66.3 | 167.8 | 0 | 0 | 0 | 111.5 | F32 V36 R47 I48 Q49 G55 F56 L57 L85 L97 | F32-I51 HydrophobicContact CD2-CG1 4.49Å; F32-I51 HydrophobicContact CE2-CD1 3.48Å; F32-I51 VanDerWaalsContact CE2-CD1 3.48Å; F32-I51 HydrophobicContact CE2-CG1 3.64Å; F32-I51 HydrophobicContact CE2-CG2 4.22Å; F32-I51 HydrophobicContact CZ-CD1 3.42Å; F32-I51 VanDerWaalsContact CZ-CD1 3.42Å; F32-I51 HydrophobicContact CZ-CG1 4.04Å; V36-I51 HydrophobicContact CG1-CD1 4.09Å; V36-I51 HydrophobicContact CG1-CG1 4.47Å; V36-I51 HydrophobicContact CG2-CD1 3.68Å; V36-I51 HydrophobicContact CG2-CG1 3.3Å; R47-I51 WeakPolarHBondContact O-CG1 3.46Å; R47-I51 PolarHBondContact O-N 3.48Å; I48-I51 PolarHBondContact O-N 3.05Å; I48-I51 VanDerWaalsContact O-N 3.16Å; Q49-I51 PolarHBondContact O-N 2.87Å; I51-G55 PolarHBondContact O-N 3.38Å; I51-F56 HydrophobicContact CB-CB 4.45Å; I51-F56 HydrophobicContact CG2-CB 3.55Å; I51-F56 WeakPolarHBondContact O-CB 3.47Å; I51-F56 PolarHBondContact O-N 2.95Å; I51-L57 HydrophobicContact CG2-CB 3.68Å; I51-L57 PolarHBondContact O-N 3.43Å; I51-L85 HydrophobicContact CD1-CD1 3.4Å; I51-L97 HydrophobicContact CG2-CD2 4.41Å |
| 52 | V | 67.2 | Low | 63.5 | Low | 42 Ų | 42 | 50.3 Ų | 50.3 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.4 | -46.3 | 178.8 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | I48 Q49 T50 D54 G55 L57 W59 | I48-V52 HydrophobicContact CG2-CG2 4.18Å; I48-V52 VanDerWaalsContact O-CG2 3.25Å; I48-V52 WeakPolarHBondContact O-CG2 3.25Å; I48-V52 PolarHBondContact O-N 2.99Å; Q49-V52 PolarHBondContact O-N 3.12Å; T50-V52 VanDerWaalsContact C-N 3.25Å; T50-V52 PolarHBondContact O-N 3.45Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 3.41Å; V52-G55 PolarHBondContact O-N 3.32Å; V52-G55 VanDerWaalsContact O-N 3.13Å; V52-L57 WeakPolarHBondContact CA-O 3.04Å; V52-L57 HydrophobicContact CG2-CB 4.47Å; V52-W59 HydrophobicContact CB-CB 4.36Å; V52-W59 HydrophobicContact CG1-CB 3.72Å; V52-W59 HydrophobicContact CG2-CB 3.62Å; V52-W59 HydrophobicContact CG2-CG 4.16Å |
| 53 | E | 70.1 | Confident | 63.8 | Low | 134 Ų | 134 | 47.6 Ų | 47.6 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.3 | -40 | 177.2 | -74.8 | 177 | -179.2 | 0 | 0 | 112.1 | Q49 T50 G55 | Q49-E53 HydrophobicContact CG-CG 4.25Å; Q49-E53 VanDerWaalsContact CG-OE1 3.3Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.25Å; Q49-E53 PolarHBondContact NE2-OE1 2.91Å; Q49-E53 WeakPolarHBondContact O-CB 3.47Å; Q49-E53 WeakPolarHBondContact O-CG 2.97Å; Q49-E53 PolarHBondContact O-N 2.86Å; T50-E53 PolarHBondContact O-N 3.27Å; E53-G55 PolarHBondContact O-N 2.97Å |
| 54 | D | 65.3 | Low | 63.6 | Low | 83 Ų | 83 | 45.6 Ų | 45.6 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 3.4 | 178.1 | -70.6 | -16.4 | 0 | 0 | 0 | 113.1 | V35 T50 V52 F56 | V35-D54 WeakPolarHBondContact CG1-OD2 3.5Å; T50-D54 VanDerWaalsContact O-CB 3.31Å; T50-D54 WeakPolarHBondContact O-CB 3.49Å; T50-D54 PolarHBondContact O-N 2.98Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 3.41Å; D54-F56 VanDerWaalsContact C-N 3.27Å; D54-F56 HydrophobicContact CB-CD2 3.65Å; D54-F56 HydrophobicContact CB-CE2 3.68Å; D54-F56 PolarHBondContact O-N 3.02Å |
| 55 | G | 62.9 | Low | 63.3 | Low | 26 Ų | 26 | 52.5 Ų | 52.5 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 14.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I51 V52 E53 L57 | I51-G55 PolarHBondContact O-N 3.38Å; V52-G55 PolarHBondContact O-N 3.32Å; V52-G55 VanDerWaalsContact O-N 3.13Å; E53-G55 PolarHBondContact O-N 2.97Å; G55-L57 VanDerWaalsContact C-N 3.28Å |
| 56 | F | 57.8 | Low | 63 | Low | 27 Ų | 27 | 52 Ų | 52 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -71 | -27.3 | 172 | -69.7 | -76.5 | 0 | 0 | 0 | 111.8 | E31 F32 V35 I51 D54 L95 L156 | E31-F56 HydrophobicContact CG-CZ 4.27Å; F32-F56 HydrophobicContact CD2-CD1 4.41Å; F32-F56 HydrophobicContact CD2-CG 4.37Å; V35-F56 HydrophobicContact CG1-CE2 4.32Å; I51-F56 HydrophobicContact CB-CB 4.45Å; I51-F56 HydrophobicContact CG2-CB 3.55Å; I51-F56 WeakPolarHBondContact O-CB 3.47Å; I51-F56 PolarHBondContact O-N 2.95Å; D54-F56 VanDerWaalsContact C-N 3.27Å; D54-F56 HydrophobicContact CB-CD2 3.65Å; D54-F56 HydrophobicContact CB-CE2 3.68Å; D54-F56 PolarHBondContact O-N 3.02Å; F56-L95 HydrophobicContact CD1-CD2 4.3Å; F56-L156 WeakPolarHBondContact O-CD1 3.48Å; F56-L156 WeakPolarHBondContact O-CD2 3.3Å |
| 57 | L | 64.5 | Low | 62.4 | Low | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | trans | -139 | 116.3 | 178 | -177.2 | 63.5 | 0 | 0 | 0 | 110.7 | I51 V52 G55 W59 F62 L97 I99 I154 L156 | I51-L57 HydrophobicContact CG2-CB 3.68Å; I51-L57 PolarHBondContact O-N 3.43Å; V52-L57 WeakPolarHBondContact CA-O 3.04Å; V52-L57 HydrophobicContact CG2-CB 4.47Å; G55-L57 VanDerWaalsContact C-N 3.28Å; L57-W59 HydrophobicContact CD2-CE3 3.57Å; L57-W59 HydrophobicContact CD2-CZ3 3.85Å; L57-W59 HydrophobicContact CG-CE3 4.29Å; L57-W59 PolarHBondContact O-N 3.49Å; L57-F62 HydrophobicContact CD1-CB 4.08Å; L57-F62 HydrophobicContact CD1-CD2 4.33Å; L57-F62 HydrophobicContact CD1-CG 4.14Å; L57-L97 HydrophobicContact CD2-CD2 4.33Å; L57-I99 HydrophobicContact CD2-CD1 4.08Å; L57-I154 HydrophobicContact CD1-CD1 4.28Å; L57-L156 HydrophobicContact CD1-CD2 4.47Å | ||
| 58 | D | 67.8 | Low | 61.7 | Low | 65 Ų | 65 | 56.7 Ų | 56.7 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | trans | -72.9 | 93.1 | 167.9 | -179.5 | -9.7 | 0 | 0 | 0 | 109 | N61 F62 | D58-N61 HydrophobicContact CB-CB 4Å; D58-N61 WeakPolarHBondContact OD1-CB 3.3Å; D58-N61 PolarHBondContact OD1-N 2.99Å; D58-N61 WeakPolarHBondContact OD2-CB 3.4Å; D58-N61 PolarHBondContact OD2-ND2 2.83Å; D58-N61 VanDerWaalsContact OD2-ND2 3.09Å; D58-F62 WeakPolarHBondContact O-CB 3.32Å; D58-F62 PolarHBondContact O-N 2.87Å | ||
| 59 | W | 68.4 | Low | 61.2 | Low | 7 Ų | 7 | 58.7 Ų | 58.7 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | -170.4 | -172.2 | -120.8 | 0 | 0 | 0 | 113.7 | I48 V52 L57 F62 K63 L67 Y79 V82 I99 | I48-W59 HydrophobicContact CG2-CE3 4.39Å; I48-W59 HydrophobicContact CG2-CZ3 4.27Å; V52-W59 HydrophobicContact CB-CB 4.36Å; V52-W59 HydrophobicContact CG1-CB 3.72Å; V52-W59 HydrophobicContact CG2-CB 3.62Å; V52-W59 HydrophobicContact CG2-CG 4.16Å; L57-W59 HydrophobicContact CD2-CE3 3.57Å; L57-W59 HydrophobicContact CD2-CZ3 3.85Å; L57-W59 HydrophobicContact CG-CE3 4.29Å; L57-W59 PolarHBondContact O-N 3.49Å; W59-F62 AromaticContact CE3-CD1 3.7Å; W59-F62 HydrophobicContact CE3-CD1 3.7Å; W59-F62 HydrophobicContact CE3-CE1 4.4Å; W59-F62 HydrophobicContact CH2-CD1 4.19Å; W59-F62 HydrophobicContact CH2-CE1 4.2Å; W59-F62 AromaticContact CZ3-CD1 3.49Å; W59-F62 HydrophobicContact CZ3-CD1 3.49Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.49Å; W59-F62 AromaticContact CZ3-CE1 3.73Å; W59-F62 HydrophobicContact CZ3-CE1 3.73Å; W59-F62 PolarHBondContact O-N 2.91Å; W59-K63 VanDerWaalsContact CD1-CE 3.47Å; W59-K63 HydrophobicContact CD2-CG 4.33Å; W59-K63 HydrophobicContact CG-CG 4.48Å; W59-K63 HydrophobicContact CZ2-CG 4.29Å; W59-K63 VanDerWaalsContact O-CB 3.32Å; W59-K63 WeakPolarHBondContact O-CB 3.29Å; W59-K63 WeakPolarHBondContact O-CG 3.16Å; W59-K63 PolarHBondContact O-N 3.27Å; W59-L67 HydrophobicContact CH2-CD1 4.49Å; W59-Y79 AromaticContact CD1-CZ 3.93Å; W59-Y79 AromaticContact CD2-CE1 3.7Å; W59-Y79 HydrophobicContact CD2-CE1 3.7Å; W59-Y79 AromaticContact CE2-CD1 3.91Å; W59-Y79 AromaticContact CE2-CE1 3.22Å; W59-Y79 AromaticContact CE2-CZ 3.87Å; W59-Y79 HydrophobicContact CE3-CE1 4.17Å; W59-Y79 HydrophobicContact CG-CE1 4.25Å; W59-Y79 AromaticContact CH2-CD1 3.98Å; W59-Y79 HydrophobicContact CH2-CD1 3.98Å; W59-Y79 AromaticContact CH2-CE1 3.87Å; W59-Y79 HydrophobicContact CH2-CE1 3.87Å; W59-Y79 AromaticContact CZ2-CD1 3.53Å; W59-Y79 HydrophobicContact CZ2-CD1 3.53Å; W59-Y79 AromaticContact CZ2-CE1 3.34Å; W59-Y79 HydrophobicContact CZ2-CE1 3.34Å; W59-Y79 HydrophobicContact CZ3-CE1 4.24Å; W59-Y79 AromaticContact NE1-CE1 3.46Å; W59-Y79 AromaticContact NE1-CZ 3.62Å; W59-V82 HydrophobicContact CH2-CG2 4.28Å; W59-I99 HydrophobicContact CZ3-CD1 4.47Å |
| 60 | D | 65.8 | Low | 60.1 | Low | 99 Ų | 99 | 57 Ų | 57 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69 | -42.2 | -178.9 | -74.6 | -33.1 | 0 | 0 | 0 | 110.9 | K63 Q64 | D60-K63 PolarHBondContact O-N 2.8Å; D60-K63 WeakPolarHBondContact OD1-CE 3.44Å; D60-K63 IonicContact OD1-NZ 2.71Å; D60-K63 PolarHBondContact OD1-NZ 2.91Å; D60-Q64 VanDerWaalsContact O-CB 3.3Å; D60-Q64 WeakPolarHBondContact O-CB 3.46Å; D60-Q64 PolarHBondContact O-N 3.21Å |
| 61 | N | 61.5 | Low | 59.4 | Low | 42 Ų | 42 | 64.7 Ų | 64.7 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 173.9 | -168.1 | 8.2 | 0 | 0 | 0 | 111.6 | D58 Q64 R65 | D58-N61 HydrophobicContact CB-CB 4Å; D58-N61 WeakPolarHBondContact OD1-CB 3.3Å; D58-N61 PolarHBondContact OD1-N 2.99Å; D58-N61 WeakPolarHBondContact OD2-CB 3.4Å; D58-N61 PolarHBondContact OD2-ND2 2.83Å; D58-N61 VanDerWaalsContact OD2-ND2 3.09Å; N61-Q64 PolarHBondContact O-N 3.5Å; N61-R65 VanDerWaalsContact O-CB 3.3Å; N61-R65 WeakPolarHBondContact O-CB 3.41Å; N61-R65 WeakPolarHBondContact O-CG 3.27Å; N61-R65 PolarHBondContact O-N 2.64Å; N61-R65 WeakPolarHBondContact OD1-CD 3.39Å; N61-R65 VanDerWaalsContact OD1-CG 3.32Å; N61-R65 WeakPolarHBondContact OD1-CG 3.48Å; N61-R65 VanDerWaalsContact OD1-CZ 3.31Å; N61-R65 PolarHBondContact OD1-NE 2.82Å |
| 62 | F | 61.4 | Low | 58.4 | Low | 12 Ų | 12 | 71.6 Ų | 71.6 | 5% | 0.053 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 174.3 | 177.5 | -105.5 | 0 | 0 | 0 | 111.9 | L57 D58 W59 Q64 H66 L67 I99 I154 | L57-F62 HydrophobicContact CD1-CB 4.08Å; L57-F62 HydrophobicContact CD1-CD2 4.33Å; L57-F62 HydrophobicContact CD1-CG 4.14Å; D58-F62 WeakPolarHBondContact O-CB 3.32Å; D58-F62 PolarHBondContact O-N 2.87Å; W59-F62 AromaticContact CE3-CD1 3.7Å; W59-F62 HydrophobicContact CE3-CD1 3.7Å; W59-F62 HydrophobicContact CE3-CE1 4.4Å; W59-F62 HydrophobicContact CH2-CD1 4.19Å; W59-F62 HydrophobicContact CH2-CE1 4.2Å; W59-F62 AromaticContact CZ3-CD1 3.49Å; W59-F62 HydrophobicContact CZ3-CD1 3.49Å; W59-F62 VanDerWaalsContact CZ3-CD1 3.49Å; W59-F62 AromaticContact CZ3-CE1 3.73Å; W59-F62 HydrophobicContact CZ3-CE1 3.73Å; W59-F62 PolarHBondContact O-N 2.91Å; F62-Q64 VanDerWaalsContact C-N 3.31Å; F62-Q64 PolarHBondContact O-N 2.66Å; F62-H66 HydrophobicContact CD2-CB 3.87Å; F62-H66 AromaticContact CD2-CD2 3.56Å; F62-H66 HydrophobicContact CE2-CB 3.67Å; F62-H66 HydrophobicContact CZ-CB 4.39Å; F62-H66 WeakPolarHBondContact O-CA 3.48Å; F62-H66 WeakPolarHBondContact O-CB 3.38Å; F62-H66 PolarHBondContact O-N 2.74Å; F62-L67 HydrophobicContact CD1-CD1 3.94Å; F62-L67 HydrophobicContact CD1-CG 4.23Å; F62-L67 HydrophobicContact CE1-CD1 3.52Å; F62-L67 HydrophobicContact CE1-CD2 4.08Å; F62-L67 HydrophobicContact CE1-CG 3.77Å; F62-L67 HydrophobicContact CZ-CD1 4.29Å; F62-L67 HydrophobicContact CZ-CD2 4.02Å; F62-L67 HydrophobicContact CZ-CG 4.1Å; F62-L67 PolarHBondContact O-N 3.2Å; F62-I99 HydrophobicContact CE1-CD1 4.23Å; F62-I99 HydrophobicContact CZ-CD1 4.34Å; F62-I154 HydrophobicContact CD2-CD1 3.64Å; F62-I154 HydrophobicContact CD2-CG1 4.34Å; F62-I154 HydrophobicContact CE1-CD1 4.08Å; F62-I154 HydrophobicContact CE2-CD1 3.08Å; F62-I154 HydrophobicContact CE2-CG1 3.59Å; F62-I154 HydrophobicContact CG-CD1 4.4Å; F62-I154 HydrophobicContact CZ-CD1 3.34Å; F62-I154 HydrophobicContact CZ-CG1 4.08Å |
| 63 | K | 59.6 | Low | 57.4 | Low | 7 Ų | 7 | 74 Ų | 74 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 173.8 | -82.7 | -173.4 | -61 | 179.9 | 0 | 111.4 | W59 D60 L67 E68 I69 | W59-K63 VanDerWaalsContact CD1-CE 3.47Å; W59-K63 HydrophobicContact CD2-CG 4.33Å; W59-K63 HydrophobicContact CG-CG 4.48Å; W59-K63 HydrophobicContact CZ2-CG 4.29Å; W59-K63 VanDerWaalsContact O-CB 3.32Å; W59-K63 WeakPolarHBondContact O-CB 3.29Å; W59-K63 WeakPolarHBondContact O-CG 3.16Å; W59-K63 PolarHBondContact O-N 3.27Å; D60-K63 PolarHBondContact O-N 2.8Å; D60-K63 WeakPolarHBondContact OD1-CE 3.44Å; D60-K63 IonicContact OD1-NZ 2.71Å; D60-K63 PolarHBondContact OD1-NZ 2.91Å; K63-L67 HydrophobicContact CG-CD1 4.4Å; K63-L67 CarbonylContact O-C 3.59Å; K63-L67 VanDerWaalsContact O-C 3.27Å; K63-L67 WeakPolarHBondContact O-CA 3.42Å; K63-L67 WeakPolarHBondContact O-CB 2.89Å; K63-L67 PolarHBondContact O-N 2.86Å; K63-L67 VanDerWaalsContact O-N 3.16Å; K63-E68 PolarHBondContact O-N 2.75Å; K63-I69 HydrophobicContact CB-CB 4.12Å; K63-I69 HydrophobicContact CD-CB 4.4Å; K63-I69 HydrophobicContact CD-CG2 4.15Å; K63-I69 HydrophobicContact CG-CB 4.26Å; K63-I69 HydrophobicContact CG-CD1 4.41Å; K63-I69 PolarHBondContact O-N 2.83Å |
| 64 | Q | 56.2 | Low | 56.2 | Low | 128 Ų | 128 | 71.6 Ų | 71.6 | 60% | 0.598 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -72.6 | -47.9 | -174.7 | -172.3 | 178.3 | 16.7 | 0 | 0 | 112.3 | D60 N61 F62 | D60-Q64 VanDerWaalsContact O-CB 3.3Å; D60-Q64 WeakPolarHBondContact O-CB 3.46Å; D60-Q64 PolarHBondContact O-N 3.21Å; N61-Q64 PolarHBondContact O-N 3.5Å; F62-Q64 VanDerWaalsContact C-N 3.31Å; F62-Q64 PolarHBondContact O-N 2.66Å |
| 65 | R | 52.4 | Low | 55.4 | Low | 178 Ų | 178 | 73.9 Ų | 73.9 | 67% | 0.672 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -82.6 | -33.1 | -173.8 | -67.4 | -168.9 | -175.2 | 179.7 | 7.5 | 113.7 | N61 | N61-R65 VanDerWaalsContact O-CB 3.3Å; N61-R65 WeakPolarHBondContact O-CB 3.41Å; N61-R65 WeakPolarHBondContact O-CG 3.27Å; N61-R65 PolarHBondContact O-N 2.64Å; N61-R65 WeakPolarHBondContact OD1-CD 3.39Å; N61-R65 VanDerWaalsContact OD1-CG 3.32Å; N61-R65 WeakPolarHBondContact OD1-CG 3.48Å; N61-R65 VanDerWaalsContact OD1-CZ 3.31Å; N61-R65 PolarHBondContact OD1-NE 2.82Å |
| 66 | H | 53.7 | Low | 54.4 | Low | 55 Ų | 55 | 78.1 Ų | 78.1 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -117.2 | -19 | -169.5 | -56.8 | -61 | 0 | 0 | 0 | 113.4 | F62 F109 I132 | F62-H66 HydrophobicContact CD2-CB 3.87Å; F62-H66 AromaticContact CD2-CD2 3.56Å; F62-H66 HydrophobicContact CE2-CB 3.67Å; F62-H66 HydrophobicContact CZ-CB 4.39Å; F62-H66 WeakPolarHBondContact O-CA 3.48Å; F62-H66 WeakPolarHBondContact O-CB 3.38Å; F62-H66 PolarHBondContact O-N 2.74Å; H66-F109 WeakPolarHBondContact O-CE1 3.14Å; H66-F109 WeakPolarHBondContact O-CZ 3.48Å; H66-I132 WeakPolarHBondContact ND1-CD1 3.14Å |
| 67 | L | 51 | Low | 53.7 | Low | 30 Ų | 30 | 80.1 Ų | 80.1 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -115 | -7.8 | 177.1 | -52.7 | -179.8 | 0 | 0 | 0 | 113.6 | W59 F62 K63 I69 F101 | W59-L67 HydrophobicContact CH2-CD1 4.49Å; F62-L67 HydrophobicContact CD1-CD1 3.94Å; F62-L67 HydrophobicContact CD1-CG 4.23Å; F62-L67 HydrophobicContact CE1-CD1 3.52Å; F62-L67 HydrophobicContact CE1-CD2 4.08Å; F62-L67 HydrophobicContact CE1-CG 3.77Å; F62-L67 HydrophobicContact CZ-CD1 4.29Å; F62-L67 HydrophobicContact CZ-CD2 4.02Å; F62-L67 HydrophobicContact CZ-CG 4.1Å; F62-L67 PolarHBondContact O-N 3.2Å; K63-L67 HydrophobicContact CG-CD1 4.4Å; K63-L67 CarbonylContact O-C 3.59Å; K63-L67 VanDerWaalsContact O-C 3.27Å; K63-L67 WeakPolarHBondContact O-CA 3.42Å; K63-L67 WeakPolarHBondContact O-CB 2.89Å; K63-L67 PolarHBondContact O-N 2.86Å; K63-L67 VanDerWaalsContact O-N 3.16Å; L67-I69 HydrophobicContact CB-CB 4.42Å; L67-I69 HydrophobicContact CB-CD1 3.67Å; L67-I69 HydrophobicContact CB-CG1 3.68Å; L67-I69 HydrophobicContact CD1-CD1 3.69Å; L67-I69 HydrophobicContact CG-CD1 4.35Å; L67-I69 PolarHBondContact O-N 2.83Å; L67-F101 HydrophobicContact CD1-CE1 4.47Å; L67-F101 HydrophobicContact CD2-CE1 4.38Å; L67-F101 HydrophobicContact CD2-CZ 4.06Å |
| 68 | E | 49.2 | Very low | 52.8 | Low | 129 Ų | 129 | 80 Ų | 80 | 60% | 0.603 | 39% | 0.389 | S | S | * | . | trans | 46.3 | 29.3 | -169.7 | -60.8 | -177.2 | 174.2 | 0 | 0 | 113.4 | K63 P70 | K63-E68 PolarHBondContact O-N 2.75Å; E68-P70 WeakPolarHBondContact O-CD 3.3Å | ||
| 69 | I | 50.3 | Low | 52 | Low | 43 Ų | 43 | 78 Ų | 78 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | trans | -80.8 | 123 | 179.5 | -65.3 | 172.9 | 0 | 0 | 0 | 107.7 | K63 L67 F73 | K63-I69 HydrophobicContact CB-CB 4.12Å; K63-I69 HydrophobicContact CD-CB 4.4Å; K63-I69 HydrophobicContact CD-CG2 4.15Å; K63-I69 HydrophobicContact CG-CB 4.26Å; K63-I69 HydrophobicContact CG-CD1 4.41Å; K63-I69 PolarHBondContact O-N 2.83Å; L67-I69 HydrophobicContact CB-CB 4.42Å; L67-I69 HydrophobicContact CB-CD1 3.67Å; L67-I69 HydrophobicContact CB-CG1 3.68Å; L67-I69 HydrophobicContact CD1-CD1 3.69Å; L67-I69 HydrophobicContact CG-CD1 4.35Å; L67-I69 PolarHBondContact O-N 2.83Å; I69-F73 HydrophobicContact CG2-CB 3.67Å; I69-F73 HydrophobicContact CG2-CD2 3.87Å; I69-F73 HydrophobicContact CG2-CG 3.86Å | ||
| 70 | P | 45.5 | Very low | 51.1 | Low | 60 Ų | 60 | 82.6 Ų | 82.6 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | trans | -56.3 | 143.8 | 175.4 | -23.7 | 33 | 0 | 0 | 0 | 111.5 | E68 E72 F73 | E68-P70 WeakPolarHBondContact O-CD 3.3Å; P70-E72 PolarHBondContact O-N 2.77Å; P70-F73 HydrophobicContact CB-CD2 4.09Å; P70-F73 HydrophobicContact CB-CE2 4.28Å; P70-F73 HydrophobicContact CG-CD2 4.17Å; P70-F73 HydrophobicContact CG-CE2 3.97Å; P70-F73 PolarHBondContact O-N 2.7Å; P70-F73 VanDerWaalsContact O-N 3.07Å | ||
| 71 | Y | 52.3 | Low | 50.4 | Low | 184 Ų | 184 | 81.8 Ų | 81.8 | 72% | 0.722 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -22.4 | 176.3 | 32.8 | -95.7 | 0 | 0 | 0 | 113.2 | F73 | Y71-F73 PolarHBondContact O-N 2.77Š|
| 72 | E | 44.3 | Very low | 50.1 | Low | 146 Ų | 146 | 80.1 Ų | 80.1 | 68% | 0.682 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -11.7 | 179.3 | -57.9 | 176.5 | -177 | 0 | 0 | 114.4 | P70 P74 | P70-E72 PolarHBondContact O-N 2.77Å; E72-P74 WeakPolarHBondContact O-CD 3.42Å |
| 73 | F | 44.8 | Very low | 49.8 | Very low | 93 Ų | 93 | 83.5 Ų | 83.5 | 41% | 0.408 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -81.7 | 99.4 | 174.8 | -76.9 | -95.6 | 0 | 0 | 0 | 109.4 | I69 P70 Y71 N77 | I69-F73 HydrophobicContact CG2-CB 3.67Å; I69-F73 HydrophobicContact CG2-CD2 3.87Å; I69-F73 HydrophobicContact CG2-CG 3.86Å; P70-F73 HydrophobicContact CB-CD2 4.09Å; P70-F73 HydrophobicContact CB-CE2 4.28Å; P70-F73 HydrophobicContact CG-CD2 4.17Å; P70-F73 HydrophobicContact CG-CE2 3.97Å; P70-F73 PolarHBondContact O-N 2.7Å; P70-F73 VanDerWaalsContact O-N 3.07Å; Y71-F73 PolarHBondContact O-N 2.77Å; F73-N77 HydrophobicContact CD1-CB 3.94Å |
| 74 | P | 45.4 | Very low | 49.7 | Very low | 82 Ų | 82 | 85.9 Ų | 85.9 | 53% | 0.532 | 41% | 0.413 | S | S | . | . | trans | -71 | 149 | -177.9 | 17.9 | -2.9 | 0 | 0 | 0 | 108.1 | E72 V76 N77 | E72-P74 WeakPolarHBondContact O-CD 3.42Å; P74-V76 PolarHBondContact O-N 2.8Å; P74-N77 PolarHBondContact O-N 3.49Å | ||
| 75 | E | 48.5 | Very low | 49.7 | Very low | 131 Ų | 131 | 79.9 Ų | 79.9 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -29.7 | -36.6 | -174.5 | -69.4 | 152.5 | 168.7 | 0 | 0 | 116 | N77 G78 Y79 | E75-N77 PolarHBondContact O-N 2.78Å; E75-G78 PolarHBondContact O-N 2.84Å; E75-Y79 HydrophobicContact CB-CD2 4.43Å; E75-Y79 HydrophobicContact CB-CE2 3.93Å; E75-Y79 HydrophobicContact CG-CE2 4.27Å; E75-Y79 WeakPolarHBondContact O-CD2 3.38Å |
| 76 | V | 41.7 | Very low | 49.9 | Very low | 115 Ų | 115 | 72.9 Ų | 72.9 | 70% | 0.697 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57.6 | -29.6 | 176.6 | -172.7 | 0 | 0 | 0 | 0 | 113.6 | P74 I80 | P74-V76 PolarHBondContact O-N 2.8Å; V76-I80 WeakPolarHBondContact O-CD1 3.07Å; V76-I80 WeakPolarHBondContact O-CG1 3.21Å |
| 77 | N | 42.9 | Very low | 49.7 | Very low | 70 Ų | 70 | 71.6 Ų | 71.6 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -97.7 | -29 | -178.1 | -74.2 | -29.4 | 0 | 0 | 0 | 114.4 | F73 P74 E75 F81 | F73-N77 HydrophobicContact CD1-CB 3.94Å; P74-N77 PolarHBondContact O-N 3.49Å; E75-N77 PolarHBondContact O-N 2.78Å; N77-F81 WeakPolarHBondContact O-CD2 3.05Å; N77-F81 VanDerWaalsContact O-CE2 3.32Å; N77-F81 WeakPolarHBondContact O-CE2 3.04Å |
| 78 | G | 46.3 | Very low | 49.6 | Very low | 4 Ų | 4 | 72 Ų | 72 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.2 | -35.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | E75 | E75-G78 PolarHBondContact O-N 2.84Å |
| 79 | Y | 50.8 | Low | 49.4 | Very low | 24 Ų | 24 | 68 Ų | 68 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -87.7 | -16.6 | -176 | -56.3 | -50.2 | 0 | 0 | 0 | 114.4 | I48 W59 E75 F81 V82 | I48-Y79 HydrophobicContact CB-CD1 3.8Å; I48-Y79 HydrophobicContact CB-CE1 3.71Å; I48-Y79 HydrophobicContact CB-CG 4.5Å; I48-Y79 HydrophobicContact CD1-CD1 3.41Å; I48-Y79 VanDerWaalsContact CD1-CD1 3.41Å; I48-Y79 HydrophobicContact CD1-CE1 4.19Å; I48-Y79 HydrophobicContact CD1-CG 3.94Å; I48-Y79 HydrophobicContact CG1-CD1 4.17Å; I48-Y79 HydrophobicContact CG2-CD1 3.55Å; I48-Y79 HydrophobicContact CG2-CE1 3.08Å; W59-Y79 AromaticContact CD1-CZ 3.93Å; W59-Y79 AromaticContact CD2-CE1 3.7Å; W59-Y79 HydrophobicContact CD2-CE1 3.7Å; W59-Y79 AromaticContact CE2-CD1 3.91Å; W59-Y79 AromaticContact CE2-CE1 3.22Å; W59-Y79 AromaticContact CE2-CZ 3.87Å; W59-Y79 HydrophobicContact CE3-CE1 4.17Å; W59-Y79 HydrophobicContact CG-CE1 4.25Å; W59-Y79 AromaticContact CH2-CD1 3.98Å; W59-Y79 HydrophobicContact CH2-CD1 3.98Å; W59-Y79 AromaticContact CH2-CE1 3.87Å; W59-Y79 HydrophobicContact CH2-CE1 3.87Å; W59-Y79 AromaticContact CZ2-CD1 3.53Å; W59-Y79 HydrophobicContact CZ2-CD1 3.53Å; W59-Y79 AromaticContact CZ2-CE1 3.34Å; W59-Y79 HydrophobicContact CZ2-CE1 3.34Å; W59-Y79 HydrophobicContact CZ3-CE1 4.24Å; W59-Y79 AromaticContact NE1-CE1 3.46Å; W59-Y79 AromaticContact NE1-CZ 3.62Å; E75-Y79 HydrophobicContact CB-CD2 4.43Å; E75-Y79 HydrophobicContact CB-CE2 3.93Å; E75-Y79 HydrophobicContact CG-CE2 4.27Å; E75-Y79 WeakPolarHBondContact O-CD2 3.38Å; Y79-F81 PolarHBondContact O-N 2.86Å; Y79-F81 VanDerWaalsContact O-N 3.11Å; Y79-V82 PolarHBondContact O-N 3.04Å |
| 80 | I | 49.2 | Very low | 49 | Very low | 103 Ų | 103 | 66.3 Ų | 66.3 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.4 | 176.9 | -66.8 | 170.4 | 0 | 0 | 0 | 111 | V76 S102 | V76-I80 WeakPolarHBondContact O-CD1 3.07Å; V76-I80 WeakPolarHBondContact O-CG1 3.21Å; I80-S102 PolarHBondContact O-OG 2.96Å |
| 81 | F | 51.1 | Low | 48.7 | Very low | 81 Ų | 81 | 72.6 Ų | 72.6 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.1 | 178.3 | -53.8 | -66.6 | 0 | 0 | 0 | 113.4 | N77 Y79 F101 S102 K103 | N77-F81 WeakPolarHBondContact O-CD2 3.05Å; N77-F81 VanDerWaalsContact O-CE2 3.32Å; N77-F81 WeakPolarHBondContact O-CE2 3.04Å; Y79-F81 PolarHBondContact O-N 2.86Å; Y79-F81 VanDerWaalsContact O-N 3.11Å; F81-F101 HydrophobicContact CB-CD1 4.32Å; F81-F101 CarbonylContact O-C 3.56Å; F81-F101 VanDerWaalsContact O-C 3.29Å; F81-F101 WeakPolarHBondContact O-CA 3.34Å; F81-F101 WeakPolarHBondContact O-CB 3.24Å; F81-F101 WeakPolarHBondContact O-CD1 3.43Å; F81-S102 WeakPolarHBondContact CA-OG 3.33Å; F81-S102 PolarHBondContact O-N 2.72Å; F81-K103 HydrophobicContact CD1-CD 4.24Å; F81-K103 HydrophobicContact CD1-CG 4.49Å; F81-K103 HydrophobicContact CE1-CD 4.11Å |
| 82 | V | 55.6 | Low | 48.2 | Very low | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 115.1 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | V44 I48 W59 Y79 D84 L85 I99 C100 F101 | V44-V82 HydrophobicContact CG1-CG1 4.07Å; V44-V82 WeakPolarHBondContact CG1-O 3.13Å; I48-V82 HydrophobicContact CD1-CB 3.56Å; I48-V82 HydrophobicContact CD1-CG1 3.53Å; I48-V82 HydrophobicContact CD1-CG2 4.04Å; I48-V82 HydrophobicContact CG1-CG1 4.31Å; W59-V82 HydrophobicContact CH2-CG2 4.28Å; Y79-V82 PolarHBondContact O-N 3.04Å; V82-D84 WeakPolarHBondContact CG1-O 3.27Å; V82-L85 HydrophobicContact CG1-CD2 4.33Å; V82-L85 HydrophobicContact CG1-CG 4.39Å; V82-I99 HydrophobicContact CB-CG2 4.32Å; V82-I99 HydrophobicContact CG1-CG2 3.55Å; V82-I99 HydrophobicContact CG2-CG2 3.82Å; V82-C100 CarbonylContact C-O 3.54Å; V82-C100 WeakPolarHBondContact CA-O 2.76Å; V82-F101 HydrophobicContact CG2-CD1 4.03Å; V82-F101 HydrophobicContact CG2-CE1 3.76Å |
| 83 | E | 56.2 | Low | 48.1 | Very low | 82 Ų | 82 | 64.4 Ų | 64.4 | 38% | 0.383 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -26.9 | 179.1 | -66.5 | -171.2 | 164.2 | 0 | 0 | 112.5 | V44 C100 S102 K149 | V44-E83 VanDerWaalsContact CG2-O 3.29Å; V44-E83 WeakPolarHBondContact CG2-O 3.42Å; E83-C100 PolarHBondContact N-O 2.91Å; E83-S102 VanDerWaalsContact CD-CA 3.4Å; E83-S102 WeakPolarHBondContact OE1-CA 3.36Å; E83-S102 WeakPolarHBondContact OE1-CB 3.24Å; E83-K149 IonicContact OE1-NZ 3.01Å; E83-K149 PolarHBondContact OE1-NZ 2.79Å |
| 84 | D | 57.4 | Low | 48.1 | Very low | 58 Ų | 58 | 62.2 Ų | 62.2 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 157.9 | 179.7 | -156.7 | 8.9 | 0 | 0 | 0 | 112.1 | V82 C100 | V82-D84 WeakPolarHBondContact CG1-O 3.27Å; D84-C100 HydrophobicContact CB-CB 3.85Å; D84-C100 PolarHBondContact N-O 2.98Å; D84-C100 PolarHBondContact O-N 2.83Å |
| 85 | L | 56 | Low | 48.3 | Very low | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.3 | 168.2 | -69.6 | 171.7 | 0 | 0 | 0 | 107.8 | Y37 R47 I48 I51 V82 L97 R98 I99 | Y37-L85 PolarHBondContact OH-O 3.41Å; R47-L85 HydrophobicContact CB-CD1 4.37Å; I48-L85 HydrophobicContact CB-CD1 3.97Å; I48-L85 HydrophobicContact CD1-CD1 4.46Å; I48-L85 HydrophobicContact CG1-CD1 3.22Å; I48-L85 HydrophobicContact CG1-CD2 4.32Å; I48-L85 HydrophobicContact CG1-CG 3.84Å; I48-L85 HydrophobicContact CG2-CD1 4.47Å; I51-L85 HydrophobicContact CD1-CD1 3.4Å; V82-L85 HydrophobicContact CG1-CD2 4.33Å; V82-L85 HydrophobicContact CG1-CG 4.39Å; L85-L97 HydrophobicContact CD2-CD1 4.38Å; L85-L97 HydrophobicContact CD2-CD2 4.43Å; L85-L97 HydrophobicContact CD2-CG 4.48Å; L85-R98 CarbonylContact C-O 3.51Å; L85-R98 VanDerWaalsContact CA-O 3.3Å; L85-R98 WeakPolarHBondContact CA-O 3.4Å; L85-I99 HydrophobicContact CD2-CB 4.06Å; L85-I99 HydrophobicContact CD2-CD1 3.83Å; L85-I99 HydrophobicContact CD2-CG1 3.55Å; L85-I99 HydrophobicContact CD2-CG2 3.96Å |
| 86 | S | 55.3 | Low | 48.3 | Very low | 30 Ų | 30 | 54 Ų | 54 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 133.6 | 174.9 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | R98 | S86-R98 PolarHBondContact N-O 3.28Å; S86-R98 VanDerWaalsContact O-CB 3.3Å; S86-R98 WeakPolarHBondContact O-CB 3.07Å; S86-R98 PolarHBondContact O-N 2.84Å |
| 87 | P | 49.2 | Very low | 48.8 | Very low | 28 Ų | 28 | 48.6 Ų | 48.6 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 142.8 | 168 | 30.5 | -30.2 | 0 | 0 | 0 | 109.1 | F32 I33 L95 F96 | F32-P87 HydrophobicContact CD1-CB 3.91Å; F32-P87 HydrophobicContact CD1-CG 4.01Å; F32-P87 HydrophobicContact CE1-CB 3.94Å; F32-P87 HydrophobicContact CE1-CG 3.98Å; I33-P87 HydrophobicContact CG1-CG 4.11Å; P87-L95 HydrophobicContact CB-CD1 4.22Å; P87-F96 CarbonylContact C-O 3.27Å; P87-F96 WeakPolarHBondContact CA-O 2.83Å |
| 88 | I | 49.9 | Very low | 49.4 | Very low | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.195 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.8 | 169.1 | -60.3 | 163 | 0 | 0 | 0 | 107.3 | S90 F96 R98 M153 | I88-S90 PolarHBondContact O-N 3.16Å; I88-F96 HydrophobicContact CB-CB 3.72Å; I88-F96 HydrophobicContact CG2-CB 4.42Å; I88-F96 PolarHBondContact N-O 2.72Å; I88-R98 HydrophobicContact CD1-CB 3.93Å; I88-R98 HydrophobicContact CG1-CB 4.21Å; I88-M153 HydrophobicContact CD1-CE 3.47Å; I88-M153 VanDerWaalsContact CD1-CE 3.47Å; I88-M153 HydrophobicContact CD1-CG 3.98Å; I88-M153 HydrophobicContact CD1-SD 3.56Å; I88-M153 VanDerWaalsContact CD1-SD 3.56Å; I88-M153 HydrophobicContact CG2-CE 4.42Å |
| 89 | C | 45.8 | Very low | 49.9 | Very low | 46 Ų | 46 | 48.6 Ų | 48.6 | 31% | 0.311 | 25% | 0.249 | S | C | . | . | trans | -62.7 | 133.4 | -179.3 | -73.8 | 0 | 0 | 0 | 0 | 111.7 | C19 E29 | C19-C89 HydrophobicContact CB-CB 4.06Å; C19-C89 WeakPolarHBondContact CB-SG 3.27Å; C19-C89 WeakPolarHBondContact SG-CB 3.46Å; C19-C89 CovalentContact SG-SG 2.02Å; C19-C89 PolarHBondContact SG-SG 3.33Å; E29-C89 WeakPolarHBondContact OE1-CA 3.32Å | ||
| 90 | S | 41.1 | Very low | 50.1 | Low | 7 Ų | 7 | 47.9 Ų | 47.9 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | trans | -119 | 134.6 | 176 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | E29 I88 N92 I94 F96 | E29-S90 PolarHBondContact OE1-N 2.9Å; I88-S90 PolarHBondContact O-N 3.16Å; S90-N92 PolarHBondContact O-N 2.83Å; S90-N92 PolarHBondContact OG-N 3.37Å; S90-I94 WeakPolarHBondContact CB-O 3.26Å; S90-I94 PolarHBondContact OG-O 3.41Å; S90-F96 VanDerWaalsContact OG-CE2 3.24Å; S90-F96 WeakPolarHBondContact OG-CE2 3.14Å | ||
| 91 | K | 39.6 | Very low | 50.3 | Low | 193 Ų | 193 | 43.3 Ų | 43.3 | 84% | 0.839 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.5 | 173.6 | -165.9 | 176.9 | 177.1 | -175.3 | 0 | 112.8 | ||
| 92 | N | 42.2 | Very low | 50.1 | Low | 128 Ų | 128 | 40.4 Ų | 40.4 | 68% | 0.684 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 15.7 | -165.7 | -65 | -7.5 | 0 | 0 | 0 | 114.2 | S90 I94 | S90-N92 PolarHBondContact O-N 2.83Å; S90-N92 PolarHBondContact OG-N 3.37Å; N92-I94 HydrophobicContact CB-CD1 4.21Å; N92-I94 HydrophobicContact CB-CG1 4.41Å; N92-I94 PolarHBondContact O-N 3.2Å |
| 93 | G | 41.8 | Very low | 49.8 | Very low | 30 Ų | 30 | 46.6 Ų | 46.6 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 74 | 12.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 94 | I | 45.2 | Very low | 49.3 | Very low | 47 Ų | 47 | 47.2 Ų | 47.2 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -97.6 | 127.7 | 179.6 | -62.4 | 170.4 | 0 | 0 | 0 | 107.8 | S90 N92 F96 | S90-I94 WeakPolarHBondContact CB-O 3.26Å; S90-I94 PolarHBondContact OG-O 3.41Å; N92-I94 HydrophobicContact CB-CD1 4.21Å; N92-I94 HydrophobicContact CB-CG1 4.41Å; N92-I94 PolarHBondContact O-N 3.2Å; I94-F96 HydrophobicContact CB-CE2 4.48Å; I94-F96 HydrophobicContact CB-CZ 4.4Å; I94-F96 HydrophobicContact CG2-CD1 4.39Å; I94-F96 HydrophobicContact CG2-CE1 4.02Å; I94-F96 HydrophobicContact CG2-CE2 4.37Å; I94-F96 HydrophobicContact CG2-CZ 4Å; I94-F96 PolarHBondContact O-N 3.09Å |
| 95 | L | 48.6 | Very low | 48.7 | Very low | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.9 | 174.8 | -177.4 | 65.2 | 0 | 0 | 0 | 108.8 | E29 F32 F56 P87 L156 | E29-L95 HydrophobicContact CG-CD1 3.81Å; F32-L95 HydrophobicContact CB-CD1 4.46Å; F32-L95 HydrophobicContact CB-CD2 4.04Å; F32-L95 HydrophobicContact CD2-CD2 3.7Å; F32-L95 HydrophobicContact CE2-CD2 4.39Å; F32-L95 HydrophobicContact CG-CD1 4.5Å; F32-L95 HydrophobicContact CG-CD2 3.99Å; F56-L95 HydrophobicContact CD1-CD2 4.3Å; P87-L95 HydrophobicContact CB-CD1 4.22Å; L95-L156 HydrophobicContact CB-CB 4.44Å; L95-L156 HydrophobicContact CD2-CD1 4.32Å; L95-L156 PolarHBondContact N-O 3.1Å; L95-L156 CarbonylContact O-C 3.29Å; L95-L156 WeakPolarHBondContact O-CA 3.33Å; L95-L156 VanDerWaalsContact O-CB 3.32Å; L95-L156 WeakPolarHBondContact O-CB 2.91Å; L95-L156 PolarHBondContact O-N 2.83Å; L95-L156 VanDerWaalsContact O-N 3.14Å |
| 96 | F | 49 | Very low | 48 | Very low | 35 Ų | 35 | 48.2 Ų | 48.2 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.2 | 171.5 | -66.2 | -71.6 | 0 | 0 | 0 | 109.2 | P87 I88 S90 I94 M153 F155 | P87-F96 CarbonylContact C-O 3.27Å; P87-F96 WeakPolarHBondContact CA-O 2.83Å; I88-F96 HydrophobicContact CB-CB 3.72Å; I88-F96 HydrophobicContact CG2-CB 4.42Å; I88-F96 PolarHBondContact N-O 2.72Å; S90-F96 VanDerWaalsContact OG-CE2 3.24Å; S90-F96 WeakPolarHBondContact OG-CE2 3.14Å; I94-F96 HydrophobicContact CB-CE2 4.48Å; I94-F96 HydrophobicContact CB-CZ 4.4Å; I94-F96 HydrophobicContact CG2-CD1 4.39Å; I94-F96 HydrophobicContact CG2-CE1 4.02Å; I94-F96 HydrophobicContact CG2-CE2 4.37Å; I94-F96 HydrophobicContact CG2-CZ 4Å; I94-F96 PolarHBondContact O-N 3.09Å; F96-M153 HydrophobicContact CB-CE 3.88Å; F96-M153 HydrophobicContact CD1-CE 3.68Å; F96-M153 HydrophobicContact CD2-CE 4.5Å; F96-M153 HydrophobicContact CE1-CE 4.33Å; F96-M153 HydrophobicContact CG-CE 3.79Å; F96-F155 AromaticContact CD1-CD1 3.94Å; F96-F155 HydrophobicContact CD1-CD1 3.94Å; F96-F155 HydrophobicContact CD1-CE1 4.21Å; F96-F155 AromaticContact CE1-CD1 3.49Å; F96-F155 HydrophobicContact CE1-CD1 3.49Å; F96-F155 VanDerWaalsContact CE1-CD1 3.49Å; F96-F155 AromaticContact CE1-CE1 3.65Å; F96-F155 HydrophobicContact CE1-CE1 3.65Å |
| 97 | L | 52 | Low | 47.3 | Very low | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120 | 176.7 | -174.7 | 64.1 | 0 | 0 | 0 | 109.5 | F32 I51 L57 L85 I99 I154 L156 | F32-L97 HydrophobicContact CE1-CD1 4.27Å; F32-L97 HydrophobicContact CE2-CD1 3.93Å; F32-L97 HydrophobicContact CZ-CD1 3.39Å; I51-L97 HydrophobicContact CG2-CD2 4.41Å; L57-L97 HydrophobicContact CD2-CD2 4.33Å; L85-L97 HydrophobicContact CD2-CD1 4.38Å; L85-L97 HydrophobicContact CD2-CD2 4.43Å; L85-L97 HydrophobicContact CD2-CG 4.48Å; L97-I99 HydrophobicContact CD2-CD1 4.21Å; L97-I99 HydrophobicContact CD2-CG1 4.27Å; L97-I99 HydrophobicContact CG-CG1 4.2Å; L97-I154 PolarHBondContact N-O 3.21Å; L97-I154 VanDerWaalsContact N-O 3.08Å; L97-I154 PolarHBondContact O-N 2.94Å; L97-L156 HydrophobicContact CB-CD1 3.86Å; L97-L156 HydrophobicContact CB-CG 4.42Å; L97-L156 HydrophobicContact CD2-CD1 4.11Å |
| 98 | R | 55.2 | Low | 47 | Very low | 74 Ų | 74 | 64.8 Ų | 64.8 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.8 | 168.2 | -173.9 | 179.6 | -69.8 | 175.7 | -0.3 | 108.9 | L85 S86 I88 | L85-R98 CarbonylContact C-O 3.51Å; L85-R98 VanDerWaalsContact CA-O 3.3Å; L85-R98 WeakPolarHBondContact CA-O 3.4Å; S86-R98 PolarHBondContact N-O 3.28Å; S86-R98 VanDerWaalsContact O-CB 3.3Å; S86-R98 WeakPolarHBondContact O-CB 3.07Å; S86-R98 PolarHBondContact O-N 2.84Å; I88-R98 HydrophobicContact CD1-CB 3.93Å; I88-R98 HydrophobicContact CG1-CB 4.21Å |
| 99 | I | 56.6 | Low | 46.6 | Very low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.3 | 170.6 | -49.3 | -158 | 0 | 0 | 0 | 108.4 | L57 W59 F62 V82 L85 L97 F101 A152 I154 | L57-I99 HydrophobicContact CD2-CD1 4.08Å; W59-I99 HydrophobicContact CZ3-CD1 4.47Å; F62-I99 HydrophobicContact CE1-CD1 4.23Å; F62-I99 HydrophobicContact CZ-CD1 4.34Å; V82-I99 HydrophobicContact CB-CG2 4.32Å; V82-I99 HydrophobicContact CG1-CG2 3.55Å; V82-I99 HydrophobicContact CG2-CG2 3.82Å; L85-I99 HydrophobicContact CD2-CB 4.06Å; L85-I99 HydrophobicContact CD2-CD1 3.83Å; L85-I99 HydrophobicContact CD2-CG1 3.55Å; L85-I99 HydrophobicContact CD2-CG2 3.96Å; L97-I99 HydrophobicContact CD2-CD1 4.21Å; L97-I99 HydrophobicContact CD2-CG1 4.27Å; L97-I99 HydrophobicContact CG-CG1 4.2Å; I99-F101 HydrophobicContact CB-CE2 4.02Å; I99-F101 HydrophobicContact CB-CZ 4.23Å; I99-F101 HydrophobicContact CG2-CD2 4.38Å; I99-F101 HydrophobicContact CG2-CE1 4.15Å; I99-F101 HydrophobicContact CG2-CE2 3.72Å; I99-F101 HydrophobicContact CG2-CZ 3.6Å; I99-A152 PolarHBondContact N-O 2.88Å; I99-A152 PolarHBondContact O-N 3.02Å; I99-A152 VanDerWaalsContact O-O 3.13Å; I99-I154 HydrophobicContact CD1-CD1 3.32Å; I99-I154 HydrophobicContact CG1-CD1 3.75Å |
| 100 | C | 55.9 | Low | 46.4 | Very low | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.054 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.2 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 109.3 | V82 E83 D84 T151 | V82-C100 CarbonylContact C-O 3.54Å; V82-C100 WeakPolarHBondContact CA-O 2.76Å; E83-C100 PolarHBondContact N-O 2.91Å; D84-C100 HydrophobicContact CB-CB 3.85Å; D84-C100 PolarHBondContact N-O 2.98Å; D84-C100 PolarHBondContact O-N 2.83Å; C100-T151 HydrophobicContact CB-CG2 4.43Å |
| 101 | F | 52.8 | Low | 46.3 | Very low | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.035 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 149.4 | -178.8 | -65.4 | -90.9 | 0 | 0 | 0 | 113.2 | L67 F81 V82 I99 K103 P105 K149 S150 A152 | L67-F101 HydrophobicContact CD1-CE1 4.47Å; L67-F101 HydrophobicContact CD2-CE1 4.38Å; L67-F101 HydrophobicContact CD2-CZ 4.06Å; F81-F101 HydrophobicContact CB-CD1 4.32Å; F81-F101 CarbonylContact O-C 3.56Å; F81-F101 VanDerWaalsContact O-C 3.29Å; F81-F101 WeakPolarHBondContact O-CA 3.34Å; F81-F101 WeakPolarHBondContact O-CB 3.24Å; F81-F101 WeakPolarHBondContact O-CD1 3.43Å; V82-F101 HydrophobicContact CG2-CD1 4.03Å; V82-F101 HydrophobicContact CG2-CE1 3.76Å; I99-F101 HydrophobicContact CB-CE2 4.02Å; I99-F101 HydrophobicContact CB-CZ 4.23Å; I99-F101 HydrophobicContact CG2-CD2 4.38Å; I99-F101 HydrophobicContact CG2-CE1 4.15Å; I99-F101 HydrophobicContact CG2-CE2 3.72Å; I99-F101 HydrophobicContact CG2-CZ 3.6Å; F101-K103 VanDerWaalsContact C-N 3.33Å; F101-P105 HydrophobicContact CD2-CG 4.23Å; F101-P105 HydrophobicContact CG-CG 4.39Å; F101-K149 WeakPolarHBondContact O-CB 3.31Å; F101-S150 PolarHBondContact N-O 2.83Å; F101-A152 HydrophobicContact CD2-CB 4.4Å; F101-A152 HydrophobicContact CE2-CB 3.68Å |
| 102 | S | 46.7 | Very low | 46.5 | Very low | 20 Ų | 20 | 65.1 Ų | 65.1 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -80.6 | -12.5 | 178.5 | 75.2 | 0 | 0 | 0 | 0 | 113.9 | I80 F81 E83 K149 | I80-S102 PolarHBondContact O-OG 2.96Å; F81-S102 WeakPolarHBondContact CA-OG 3.33Å; F81-S102 PolarHBondContact O-N 2.72Å; E83-S102 VanDerWaalsContact CD-CA 3.4Å; E83-S102 WeakPolarHBondContact OE1-CA 3.36Å; E83-S102 WeakPolarHBondContact OE1-CB 3.24Å; S102-K149 WeakPolarHBondContact O-CD 3.42Å; S102-K149 WeakPolarHBondContact O-CE 3.03Å; S102-K149 WeakPolarHBondContact O-CG 3.28Å; S102-K149 PolarHBondContact O-NZ 2.98Å |
| 103 | K | 49.3 | Very low | 46.4 | Very low | 138 Ų | 138 | 63.4 Ų | 63.4 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -144.4 | 152.8 | 176.6 | -66.4 | -175.2 | -176.8 | 176.2 | 0 | 108.8 | F81 F101 P105 S150 | F81-K103 HydrophobicContact CD1-CD 4.24Å; F81-K103 HydrophobicContact CD1-CG 4.49Å; F81-K103 HydrophobicContact CE1-CD 4.11Å; F101-K103 VanDerWaalsContact C-N 3.33Å; K103-P105 WeakPolarHBondContact O-CD 3.18Å; K103-P105 VanDerWaalsContact O-N 3.09Å; K103-S150 PolarHBondContact O-OG 2.98Å |
| 104 | N | 45.9 | Very low | 46.4 | Very low | 95 Ų | 95 | 65.6 Ų | 65.6 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | trans | -59.8 | 108.3 | 177.3 | -166.2 | 4.9 | 0 | 0 | 0 | 112 | T106 S150 | N104-T106 PolarHBondContact ND2-OG1 2.86Å; N104-T106 PolarHBondContact O-N 3.43Å; N104-T106 VanDerWaalsContact OD1-CB 3.26Å; N104-T106 WeakPolarHBondContact OD1-CB 3.33Å; N104-T106 VanDerWaalsContact OD1-CG2 3.27Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; N104-T106 PolarHBondContact OD1-N 2.93Å; N104-T106 PolarHBondContact OD1-OG1 3.49Å; N104-S150 WeakPolarHBondContact CA-OG 3.32Å; N104-S150 WeakPolarHBondContact OD1-CB 3.32Å | ||
| 105 | P | 45.6 | Very low | 46.2 | Very low | 38 Ų | 38 | 68 Ų | 68 | 25% | 0.247 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -76.7 | -13 | 175.2 | 38.8 | -36.5 | 0 | 0 | 0 | 109.8 | F101 K103 R107 F109 S150 | F101-P105 HydrophobicContact CD2-CG 4.23Å; F101-P105 HydrophobicContact CG-CG 4.39Å; K103-P105 WeakPolarHBondContact O-CD 3.18Å; K103-P105 VanDerWaalsContact O-N 3.09Å; P105-R107 PolarHBondContact O-N 3.14Å; P105-F109 HydrophobicContact CB-CE2 3.75Å; P105-F109 HydrophobicContact CB-CZ 4.5Å; P105-F109 HydrophobicContact CG-CE2 3.98Å; P105-F109 VanDerWaalsContact O-CE2 3.27Å; P105-F109 WeakPolarHBondContact O-CE2 2.89Å; P105-S150 WeakPolarHBondContact CD-OG 3.48Å |
| 106 | T | 40.7 | Very low | 45.7 | Very low | 42 Ų | 42 | 75 Ų | 75 | 26% | 0.258 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -73.7 | 14.5 | -177.6 | 80.1 | 0 | 0 | 0 | 0 | 115.6 | N104 K108 F109 F125 | N104-T106 PolarHBondContact ND2-OG1 2.86Å; N104-T106 PolarHBondContact O-N 3.43Å; N104-T106 VanDerWaalsContact OD1-CB 3.26Å; N104-T106 WeakPolarHBondContact OD1-CB 3.33Å; N104-T106 VanDerWaalsContact OD1-CG2 3.27Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; N104-T106 PolarHBondContact OD1-N 2.93Å; N104-T106 PolarHBondContact OD1-OG1 3.49Å; T106-K108 PolarHBondContact O-N 3.43Å; T106-F109 HydrophobicContact CG2-CD2 3.95Å; T106-F125 HydrophobicContact CG2-CE1 4.36Å; T106-F125 HydrophobicContact CG2-CE2 4.25Å; T106-F125 HydrophobicContact CG2-CZ 3.58Å |
| 107 | R | 40.3 | Very low | 45.4 | Very low | 240 Ų | 240 | 76.3 Ų | 76.3 | 91% | 0.906 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -63.3 | -7.8 | 170.6 | -129.1 | -178.7 | -175.7 | -175.2 | 0.4 | 113.1 | P105 | P105-R107 PolarHBondContact O-N 3.14Š|
| 108 | K | 43.9 | Very low | 44.5 | Very low | 167 Ų | 167 | 82 Ų | 82 | 73% | 0.726 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -140 | 2.8 | 177.4 | -82.8 | -171.6 | 171.1 | -171.8 | 0 | 117.8 | T106 G110 | T106-K108 PolarHBondContact O-N 3.43Å; K108-G110 VanDerWaalsContact C-N 3.26Å; K108-G110 PolarHBondContact O-N 3.08Å |
| 109 | F | 41 | Very low | 43.6 | Very low | 63 Ų | 63 | 82.3 Ų | 82.3 | 28% | 0.276 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -82.4 | 15.6 | -176.2 | -64.7 | -56.2 | 0 | 0 | 0 | 115.8 | H66 P105 T106 F125 | H66-F109 WeakPolarHBondContact O-CE1 3.14Å; H66-F109 WeakPolarHBondContact O-CZ 3.48Å; P105-F109 HydrophobicContact CB-CE2 3.75Å; P105-F109 HydrophobicContact CB-CZ 4.5Å; P105-F109 HydrophobicContact CG-CE2 3.98Å; P105-F109 VanDerWaalsContact O-CE2 3.27Å; P105-F109 WeakPolarHBondContact O-CE2 2.89Å; T106-F109 HydrophobicContact CG2-CD2 3.95Å; F109-F125 HydrophobicContact CB-CD1 3.64Å; F109-F125 HydrophobicContact CB-CE1 3.55Å; F109-F125 HydrophobicContact CB-CG 4.38Å; F109-F125 HydrophobicContact CB-CZ 4.26Å; F109-F125 VanDerWaalsContact O-CD1 3.29Å; F109-F125 WeakPolarHBondContact O-CD1 3.21Å |
| 110 | G | 41.4 | Very low | 42.9 | Very low | 57 Ų | 57 | 83.4 Ų | 83.4 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | trans | 67.9 | -167.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K108 P112 | K108-G110 VanDerWaalsContact C-N 3.26Å; K108-G110 PolarHBondContact O-N 3.08Å; G110-P112 WeakPolarHBondContact O-CD 3.43Å | ||
| 111 | T | 39.2 | Very low | 42 | Very low | 143 Ų | 143 | 83.6 Ų | 83.6 | 88% | 0.877 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 116.1 | 178.3 | -44.1 | 0 | 0 | 0 | 0 | 109 | ||
| 112 | P | 42.3 | Very low | 41.6 | Very low | 28 Ų | 28 | 85.5 Ų | 85.5 | 18% | 0.182 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 153.6 | 177.3 | 25.9 | -32.1 | 0 | 0 | 0 | 112.1 | G110 V114 F123 Q124 F125 | G110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-V114 HydrophobicContact CG-CG2 4.48Å; P112-V114 PolarHBondContact O-N 3.34Å; P112-F123 HydrophobicContact CB-CB 3.7Å; P112-F123 HydrophobicContact CB-CD1 4.15Å; P112-F123 HydrophobicContact CB-CG 4.43Å; P112-F123 HydrophobicContact CG-CB 3.96Å; P112-F123 HydrophobicContact CG-CD1 3.57Å; P112-F123 HydrophobicContact CG-CG 4.2Å; P112-Q124 CarbonylContact C-O 3.52Å; P112-Q124 VanDerWaalsContact CA-O 3.27Å; P112-Q124 WeakPolarHBondContact CA-O 3.3Å; P112-Q124 WeakPolarHBondContact CB-O 3.35Å; P112-F125 HydrophobicContact CB-CD1 3.89Å; P112-F125 HydrophobicContact CB-CE1 3.5Å; P112-F125 HydrophobicContact CB-CE2 4.18Å; P112-F125 HydrophobicContact CB-CG 4.4Å; P112-F125 HydrophobicContact CB-CZ 3.65Å; P112-F125 HydrophobicContact CG-CE1 3.84Å; P112-F125 HydrophobicContact CG-CZ 3.9Å |
| 113 | D | 40.7 | Very low | 41.4 | Very low | 91 Ų | 91 | 87.1 Ų | 87.1 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 125.2 | 159.3 | -70.1 | -41 | 0 | 0 | 0 | 109 | F115 F123 Q124 | D113-F115 HydrophobicContact CB-CE2 3.72Å; D113-F115 HydrophobicContact CB-CZ 4.12Å; D113-F123 CarbonylContact O-C 3.57Å; D113-F123 WeakPolarHBondContact O-CA 3.42Å; D113-Q124 HydrophobicContact CB-CB 4.27Å; D113-Q124 PolarHBondContact N-O 3.33Å; D113-Q124 PolarHBondContact O-N 3.23Å |
| 114 | V | 41.5 | Very low | 41.1 | Very low | 77 Ų | 77 | 82.9 Ų | 82.9 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 112.4 | -174.4 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | P112 A121 L122 F123 | P112-V114 HydrophobicContact CG-CG2 4.48Å; P112-V114 PolarHBondContact O-N 3.34Å; V114-A121 HydrophobicContact CG1-CB 3.92Å; V114-L122 CarbonylContact C-O 3.53Å; V114-L122 WeakPolarHBondContact CA-O 3.2Å; V114-F123 HydrophobicContact CG1-CD1 4.33Å; V114-F123 HydrophobicContact CG1-CE1 4.04Å; V114-F123 HydrophobicContact CG2-CD1 3.83Å; V114-F123 HydrophobicContact CG2-CE1 3.94Å |
| 115 | F | 41.2 | Very low | 41 | Very low | 96 Ų | 96 | 79.1 Ų | 79.1 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.4 | 172.5 | -56 | -89.5 | 0 | 0 | 0 | 109 | D113 T117 A121 L122 Q124 | D113-F115 HydrophobicContact CB-CE2 3.72Å; D113-F115 HydrophobicContact CB-CZ 4.12Å; F115-T117 PolarHBondContact O-N 3.39Å; F115-A121 WeakPolarHBondContact O-CA 3.03Å; F115-L122 HydrophobicContact CB-CB 4.21Å; F115-L122 HydrophobicContact CD2-CD2 4.45Å; F115-L122 PolarHBondContact N-O 2.84Å; F115-L122 PolarHBondContact O-N 2.74Å; F115-Q124 HydrophobicContact CD2-CB 4.05Å; F115-Q124 HydrophobicContact CE2-CB 3.55Å; F115-Q124 HydrophobicContact CE2-CG 4.28Å |
| 116 | L | 39.1 | Very low | 40.7 | Very low | 154 Ų | 154 | 84.3 Ų | 84.3 | 81% | 0.806 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125 | 175.4 | -62 | 173.6 | 0 | 0 | 0 | 109 | A121 | L116-A121 HydrophobicContact CD2-CB 4.35Å |
| 117 | T | 41.8 | Very low | 40.5 | Very low | 63 Ų | 63 | 84.4 Ų | 84.4 | 39% | 0.387 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 168 | 175.9 | 65.5 | 0 | 0 | 0 | 0 | 110.2 | F115 D119 G120 L122 | F115-T117 PolarHBondContact O-N 3.39Å; T117-D119 VanDerWaalsContact CB-OD1 3.28Å; T117-D119 WeakPolarHBondContact CB-OD1 3.32Å; T117-D119 PolarHBondContact O-N 2.69Å; T117-D119 VanDerWaalsContact O-N 3.14Å; T117-D119 PolarHBondContact OG1-OD1 2.83Å; T117-G120 PolarHBondContact N-O 3.29Å; T117-G120 PolarHBondContact O-N 3.49Å; T117-G120 VanDerWaalsContact O-O 3.11Å; T117-G120 PolarHBondContact OG1-N 2.84Å; T117-G120 PolarHBondContact OG1-O 3.34Å; T117-G120 VanDerWaalsContact OG1-O 3.13Å; T117-L122 HydrophobicContact CG2-CB 4.28Å |
| 118 | A | 33 | Very low | 40.4 | Very low | 119 Ų | 119 | 80.7 Ų | 80.7 | 98% | 0.983 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 119 | D | 36.2 | Very low | 40.1 | Very low | 81 Ų | 81 | 75.9 Ų | 75.9 | 43% | 0.433 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 1.4 | -173.3 | 65.4 | -39.4 | 0 | 0 | 0 | 114 | T117 C137 | T117-D119 VanDerWaalsContact CB-OD1 3.28Å; T117-D119 WeakPolarHBondContact CB-OD1 3.32Å; T117-D119 PolarHBondContact O-N 2.69Å; T117-D119 VanDerWaalsContact O-N 3.14Å; T117-D119 PolarHBondContact OG1-OD1 2.83Å; D119-C137 PolarHBondContact OD2-SG 3Å; D119-C137 VanDerWaalsContact OD2-SG 3.35Å |
| 120 | G | 43.1 | Very low | 40 | Very low | 24 Ų | 24 | 79 Ų | 79 | 25% | 0.247 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.9 | -152.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T117 | T117-G120 PolarHBondContact N-O 3.29Å; T117-G120 PolarHBondContact O-N 3.49Å; T117-G120 VanDerWaalsContact O-O 3.11Å; T117-G120 PolarHBondContact OG1-N 2.84Å; T117-G120 PolarHBondContact OG1-O 3.34Å; T117-G120 VanDerWaalsContact OG1-O 3.13Å |
| 121 | A | 36.1 | Very low | 40 | Very low | 11 Ų | 11 | 78.8 Ų | 78.8 | 9% | 0.091 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V114 F115 L116 F123 S135 S136 | V114-A121 HydrophobicContact CG1-CB 3.92Å; F115-A121 WeakPolarHBondContact O-CA 3.03Å; L116-A121 HydrophobicContact CD2-CB 4.35Å; A121-F123 HydrophobicContact CB-CE1 4.43Å; A121-F123 HydrophobicContact CB-CE2 3.8Å; A121-F123 HydrophobicContact CB-CZ 3.71Å; A121-F123 WeakPolarHBondContact O-CE2 3.32Å; A121-S135 CarbonylContact O-C 3.47Å; A121-S135 VanDerWaalsContact O-CA 3.24Å; A121-S135 WeakPolarHBondContact O-CA 3.32Å; A121-S136 PolarHBondContact N-OG 2.71Å; A121-S136 PolarHBondContact O-N 3.28Å; A121-S136 PolarHBondContact O-OG 2.78Å |
| 122 | L | 44.5 | Very low | 40.1 | Very low | 49 Ų | 49 | 73.4 Ų | 73.4 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.4 | 168.3 | -175.7 | 81.2 | 0 | 0 | 0 | 107.7 | V114 F115 T117 S134 | V114-L122 CarbonylContact C-O 3.53Å; V114-L122 WeakPolarHBondContact CA-O 3.2Å; F115-L122 HydrophobicContact CB-CB 4.21Å; F115-L122 HydrophobicContact CD2-CD2 4.45Å; F115-L122 PolarHBondContact N-O 2.84Å; F115-L122 PolarHBondContact O-N 2.74Å; T117-L122 HydrophobicContact CG2-CB 4.28Å; L122-S134 CarbonylContact C-O 3.54Å; L122-S134 WeakPolarHBondContact CA-O 2.99Å |
| 123 | F | 42.1 | Very low | 40.1 | Very low | 53 Ų | 53 | 72.5 Ų | 72.5 | 23% | 0.232 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.6 | 176.4 | -57.4 | -86 | 0 | 0 | 0 | 108.1 | P112 D113 V114 A121 F125 S133 S134 | P112-F123 HydrophobicContact CB-CB 3.7Å; P112-F123 HydrophobicContact CB-CD1 4.15Å; P112-F123 HydrophobicContact CB-CG 4.43Å; P112-F123 HydrophobicContact CG-CB 3.96Å; P112-F123 HydrophobicContact CG-CD1 3.57Å; P112-F123 HydrophobicContact CG-CG 4.2Å; D113-F123 CarbonylContact O-C 3.57Å; D113-F123 WeakPolarHBondContact O-CA 3.42Å; V114-F123 HydrophobicContact CG1-CD1 4.33Å; V114-F123 HydrophobicContact CG1-CE1 4.04Å; V114-F123 HydrophobicContact CG2-CD1 3.83Å; V114-F123 HydrophobicContact CG2-CE1 3.94Å; A121-F123 HydrophobicContact CB-CE1 4.43Å; A121-F123 HydrophobicContact CB-CE2 3.8Å; A121-F123 HydrophobicContact CB-CZ 3.71Å; A121-F123 WeakPolarHBondContact O-CE2 3.32Å; F123-F125 HydrophobicContact CB-CE2 4.09Å; F123-F125 HydrophobicContact CB-CZ 4.34Å; F123-S133 CarbonylContact O-C 3.47Å; F123-S133 WeakPolarHBondContact O-CA 3.12Å; F123-S134 PolarHBondContact N-O 3.29Å; F123-S134 PolarHBondContact O-N 2.67Å |
| 124 | Q | 44.3 | Very low | 40.3 | Very low | 49 Ų | 49 | 68.6 Ų | 68.6 | 23% | 0.229 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.1 | 178.9 | -160.7 | 171.2 | -42 | 0 | 0 | 108.8 | P112 D113 F115 V131 I132 | P112-Q124 CarbonylContact C-O 3.52Å; P112-Q124 VanDerWaalsContact CA-O 3.27Å; P112-Q124 WeakPolarHBondContact CA-O 3.3Å; P112-Q124 WeakPolarHBondContact CB-O 3.35Å; D113-Q124 HydrophobicContact CB-CB 4.27Å; D113-Q124 PolarHBondContact N-O 3.33Å; D113-Q124 PolarHBondContact O-N 3.23Å; F115-Q124 HydrophobicContact CD2-CB 4.05Å; F115-Q124 HydrophobicContact CE2-CB 3.55Å; F115-Q124 HydrophobicContact CE2-CG 4.28Å; Q124-V131 HydrophobicContact CG-CG1 3.36Å; Q124-I132 CarbonylContact C-O 3.57Å; Q124-I132 WeakPolarHBondContact CA-O 3.31Å |
| 125 | F | 43.2 | Very low | 40.4 | Very low | 17 Ų | 17 | 65.7 Ų | 65.7 | 8% | 0.075 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.1 | 175.2 | -57.1 | -87.9 | 0 | 0 | 0 | 106.9 | T106 F109 P112 F123 T127 I132 | T106-F125 HydrophobicContact CG2-CE1 4.36Å; T106-F125 HydrophobicContact CG2-CE2 4.25Å; T106-F125 HydrophobicContact CG2-CZ 3.58Å; F109-F125 HydrophobicContact CB-CD1 3.64Å; F109-F125 HydrophobicContact CB-CE1 3.55Å; F109-F125 HydrophobicContact CB-CG 4.38Å; F109-F125 HydrophobicContact CB-CZ 4.26Å; F109-F125 VanDerWaalsContact O-CD1 3.29Å; F109-F125 WeakPolarHBondContact O-CD1 3.21Å; P112-F125 HydrophobicContact CB-CD1 3.89Å; P112-F125 HydrophobicContact CB-CE1 3.5Å; P112-F125 HydrophobicContact CB-CE2 4.18Å; P112-F125 HydrophobicContact CB-CG 4.4Å; P112-F125 HydrophobicContact CB-CZ 3.65Å; P112-F125 HydrophobicContact CG-CE1 3.84Å; P112-F125 HydrophobicContact CG-CZ 3.9Å; F123-F125 HydrophobicContact CB-CE2 4.09Å; F123-F125 HydrophobicContact CB-CZ 4.34Å; F125-T127 HydrophobicContact CB-CG2 4.46Å; F125-I132 HydrophobicContact CB-CB 4.43Å; F125-I132 PolarHBondContact N-O 3.46Å; F125-I132 PolarHBondContact O-N 3.27Å |
| 126 | E | 39.3 | Very low | 40.3 | Very low | 147 Ų | 147 | 64 Ų | 64 | 69% | 0.687 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.6 | 168.1 | -167.2 | 177.2 | 173.2 | 0 | 0 | 108.2 | H130 | E126-H130 WeakPolarHBondContact CA-O 3.37Å |
| 127 | T | 36.5 | Very low | 40.2 | Very low | 43 Ų | 43 | 57.8 Ų | 57.8 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 116.7 | 178.4 | 60.9 | 0 | 0 | 0 | 0 | 108.5 | F125 G129 H130 I132 | F125-T127 HydrophobicContact CB-CG2 4.46Å; T127-G129 VanDerWaalsContact C-N 3.3Å; T127-G129 PolarHBondContact O-N 2.85Å; T127-H130 PolarHBondContact N-O 3.47Å; T127-H130 WeakPolarHBondContact O-CB 3.25Å; T127-H130 PolarHBondContact O-N 3.26Å; T127-I132 HydrophobicContact CG2-CD1 4.34Å; T127-I132 WeakPolarHBondContact OG1-CD1 3.04Å |
| 128 | D | 37.2 | Very low | 39.8 | Very low | 163 Ų | 163 | 60.3 Ų | 60.3 | 87% | 0.872 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 47.1 | 176.1 | -60.8 | -28.8 | 0 | 0 | 0 | 114.1 | H130 | D128-H130 PolarHBondContact O-N 3.13Å; D128-H130 PolarHBondContact O-ND1 2.62Å |
| 129 | G | 38.2 | Very low | 39.9 | Very low | 65 Ų | 65 | 59.3 Ų | 59.3 | 67% | 0.67 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 8.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | T127 | T127-G129 VanDerWaalsContact C-N 3.3Å; T127-G129 PolarHBondContact O-N 2.85Å |
| 130 | H | 39.4 | Very low | 39.4 | Very low | 129 Ų | 129 | 61.3 Ų | 61.3 | 60% | 0.597 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 142.4 | 174.7 | -61.6 | 75.1 | 0 | 0 | 0 | 110.1 | E126 T127 D128 | E126-H130 WeakPolarHBondContact CA-O 3.37Å; T127-H130 PolarHBondContact N-O 3.47Å; T127-H130 WeakPolarHBondContact O-CB 3.25Å; T127-H130 PolarHBondContact O-N 3.26Å; D128-H130 PolarHBondContact O-N 3.13Å; D128-H130 PolarHBondContact O-ND1 2.62Å |
| 131 | V | 40.8 | Very low | 38.6 | Very low | 52 Ų | 52 | 62.3 Ų | 62.3 | 32% | 0.315 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.1 | 176.9 | 166.8 | 0 | 0 | 0 | 0 | 108.9 | Q124 F155 | Q124-V131 HydrophobicContact CG-CG1 3.36Å; V131-F155 HydrophobicContact CG1-CE2 4.42Å; V131-F155 HydrophobicContact CG1-CZ 4.37Å; V131-F155 WeakPolarHBondContact O-CD2 3.4Å; V131-F155 WeakPolarHBondContact O-CE2 3.35Å |
| 132 | I | 42.2 | Very low | 38.3 | Very low | 30 Ų | 30 | 70.1 Ų | 70.1 | 15% | 0.154 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.6 | 170.6 | -58.2 | 175 | 0 | 0 | 0 | 107.4 | H66 Q124 F125 T127 | H66-I132 WeakPolarHBondContact ND1-CD1 3.14Å; Q124-I132 CarbonylContact C-O 3.57Å; Q124-I132 WeakPolarHBondContact CA-O 3.31Å; F125-I132 HydrophobicContact CB-CB 4.43Å; F125-I132 PolarHBondContact N-O 3.46Å; F125-I132 PolarHBondContact O-N 3.27Å; T127-I132 HydrophobicContact CG2-CD1 4.34Å; T127-I132 WeakPolarHBondContact OG1-CD1 3.04Å |
| 133 | S | 42.1 | Very low | 37.7 | Very low | 10 Ų | 10 | 72.7 Ų | 72.7 | 7% | 0.07 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.9 | -177.7 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | F123 A152 M153 | F123-S133 CarbonylContact O-C 3.47Å; F123-S133 WeakPolarHBondContact O-CA 3.12Å; S133-A152 CarbonylContact O-C 3.46Å; S133-M153 WeakPolarHBondContact O-CA 3.34Å; S133-M153 WeakPolarHBondContact O-CB 3.37Å; S133-M153 PolarHBondContact O-N 3.14Å |
| 134 | S | 44.4 | Very low | 37 | Very low | 9 Ų | 9 | 74.2 Ų | 74.2 | 6% | 0.063 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 152.1 | 174.7 | 161.3 | 0 | 0 | 0 | 0 | 107 | L122 F123 T151 | L122-S134 CarbonylContact C-O 3.54Å; L122-S134 WeakPolarHBondContact CA-O 2.99Å; F123-S134 PolarHBondContact N-O 3.29Å; F123-S134 PolarHBondContact O-N 2.67Å; S134-T151 WeakPolarHBondContact CA-O 3.16Å; S134-T151 WeakPolarHBondContact CB-O 3.33Å; S134-T151 PolarHBondContact OG-O 3.18Å |
| 135 | S | 44.3 | Very low | 36.3 | Very low | 16 Ų | 16 | 81.5 Ų | 81.5 | 11% | 0.112 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148 | 171.8 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | A121 C137 T151 | A121-S135 CarbonylContact O-C 3.47Å; A121-S135 VanDerWaalsContact O-CA 3.24Å; A121-S135 WeakPolarHBondContact O-CA 3.32Å; S135-C137 VanDerWaalsContact C-N 3.31Å; S135-C137 PolarHBondContact OG-SG 3.07Å; S135-T151 PolarHBondContact N-OG1 2.98Å; S135-T151 PolarHBondContact O-OG1 3.3Å |
| 136 | S | 39.2 | Very low | 35.7 | Very low | 60 Ų | 60 | 83 Ų | 83 | 42% | 0.42 | 48% | 0.483 | S | S | . | . | trans | -93.2 | 22.5 | 172.1 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | A121 T138 | A121-S136 PolarHBondContact N-OG 2.71Å; A121-S136 PolarHBondContact O-N 3.28Å; A121-S136 PolarHBondContact O-OG 2.78Å; S136-T138 PolarHBondContact O-N 3.26Å; S136-T138 VanDerWaalsContact O-N 3.07Å | ||
| 137 | C | 36.8 | Very low | 35.4 | Very low | 23 Ų | 23 | 83.9 Ų | 83.9 | 16% | 0.155 | 49% | 0.485 | C | S | . | . | trans | -46.7 | 118.9 | -172.8 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | D119 S135 F139 | D119-C137 PolarHBondContact OD2-SG 3Å; D119-C137 VanDerWaalsContact OD2-SG 3.35Å; S135-C137 VanDerWaalsContact C-N 3.31Å; S135-C137 PolarHBondContact OG-SG 3.07Å; C137-F139 HydrophobicContact CB-CD2 4Å; C137-F139 HydrophobicContact CB-CE2 3.83Å; C137-F139 PolarHBondContact O-N 2.93Å | ||
| 138 | T | 32.1 | Very low | 35.3 | Very low | 116 Ų | 116 | 86.2 Ų | 86.2 | 71% | 0.712 | 51% | 0.509 | S | S | * | . | trans | -88.7 | 94.1 | 164.6 | 35.9 | 0 | 0 | 0 | 0 | 108 | S136 S140 | S136-T138 PolarHBondContact O-N 3.26Å; S136-T138 VanDerWaalsContact O-N 3.07Å; T138-S140 PolarHBondContact O-N 3.2Å; T138-S140 VanDerWaalsContact O-N 3.08Å | ||
| 139 | F | 35.8 | Very low | 35.4 | Very low | 99 Ų | 99 | 82.6 Ų | 82.6 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | trans | -71.4 | 102.9 | 166.8 | -82 | -87 | 0 | 0 | 0 | 109.1 | C137 | C137-F139 HydrophobicContact CB-CD2 4Å; C137-F139 HydrophobicContact CB-CE2 3.83Å; C137-F139 PolarHBondContact O-N 2.93Å | ||
| 140 | S | 25.7 | Very low | 35.6 | Very low | 122 Ų | 122 | 80.4 Ų | 80.4 | 85% | 0.853 | 46% | 0.46 | S | S | * | . | trans | -102.7 | 112.6 | 172.5 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | T138 | T138-S140 PolarHBondContact O-N 3.2Å; T138-S140 VanDerWaalsContact O-N 3.08Å | ||
| 141 | G | 26.5 | Very low | 35.9 | Very low | 45 Ų | 45 | 74.9 Ų | 74.9 | 46% | 0.464 | 44% | 0.435 | S | S | . | . | S | Bend | trans | 116.1 | 107.6 | 166 | 0 | 0 | 0 | 0 | 0 | 113.6 | F143 | G141-F143 WeakPolarHBondContact O-CD2 3.32Å; G141-F143 PolarHBondContact O-N 3.23Å |
| 142 | I | 29.3 | Very low | 35.9 | Very low | 176 Ų | 176 | 73.1 Ų | 73.1 | 90% | 0.903 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 61.5 | -21 | 162.8 | -40.5 | 180 | 0 | 0 | 0 | 117.7 | ||
| 143 | F | 31.3 | Very low | 35.9 | Very low | 102 Ų | 102 | 73.5 Ų | 73.5 | 45% | 0.447 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -89.8 | 135.2 | 176.2 | -59.6 | -75.7 | 0 | 0 | 0 | 111.3 | D17 G141 R145 | D17-F143 HydrophobicContact CB-CD1 3.98Å; D17-F143 HydrophobicContact CB-CE1 3.56Å; D17-F143 HydrophobicContact CB-CZ 3.93Å; D17-F143 WeakPolarHBondContact OD2-CE1 3.49Å; D17-F143 WeakPolarHBondContact OD2-CZ 3.26Å; G141-F143 WeakPolarHBondContact O-CD2 3.32Å; G141-F143 PolarHBondContact O-N 3.23Å; F143-R145 PolarHBondContact O-N 2.82Å; F143-R145 VanDerWaalsContact O-N 3.1Å |
| 144 | G | 29.2 | Very low | 36 | Very low | 85 Ų | 85 | 74 Ų | 74 | 88% | 0.876 | 43% | 0.429 | S | S | * | . | trans | -41.9 | 112.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 145 | R | 28 | Very low | 35.7 | Very low | 203 Ų | 203 | 78 Ų | 78 | 77% | 0.766 | 45% | 0.446 | S | S | * | . | trans | -69.5 | 124.4 | -158.8 | -66.6 | 168.6 | 170.7 | 169.8 | -3 | 113.4 | F143 K147 | F143-R145 PolarHBondContact O-N 2.82Å; F143-R145 VanDerWaalsContact O-N 3.1Å; R145-K147 PolarHBondContact O-N 3.45Å | ||
| 146 | C | 31.9 | Very low | 35.7 | Very low | 47 Ų | 47 | 78.7 Ų | 78.7 | 32% | 0.318 | 45% | 0.448 | S | S | . | . | trans | -82.6 | 102.8 | 151.3 | -132.5 | 0 | 0 | 0 | 0 | 108.2 | A148 | C146-A148 PolarHBondContact O-N 2.83Š| ||
| 147 | K | 32 | Very low | 35.5 | Very low | 167 Ų | 167 | 81.2 Ų | 81.2 | 73% | 0.726 | 46% | 0.457 | S | S | * | . | trans | -92.9 | 88.1 | 174.1 | -118.3 | -172.7 | -179.5 | -174.2 | 0 | 108.5 | R145 | R145-K147 PolarHBondContact O-N 3.45Š| ||
| 148 | A | 34.5 | Very low | 35.4 | Very low | 91 Ų | 91 | 81.7 Ų | 81.7 | 75% | 0.752 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 44.1 | 85.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | C146 | C146-A148 PolarHBondContact O-N 2.83Š|
| 149 | K | 39.2 | Very low | 35.5 | Very low | 87 Ų | 87 | 82.5 Ų | 82.5 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | trans | -154.4 | 146 | 150.1 | -79.9 | 114 | 179.9 | -124.3 | 0 | 109.7 | E83 F101 S102 T151 | E83-K149 IonicContact OE1-NZ 3.01Å; E83-K149 PolarHBondContact OE1-NZ 2.79Å; F101-K149 WeakPolarHBondContact O-CB 3.31Å; S102-K149 WeakPolarHBondContact O-CD 3.42Å; S102-K149 WeakPolarHBondContact O-CE 3.03Å; S102-K149 WeakPolarHBondContact O-CG 3.28Å; S102-K149 PolarHBondContact O-NZ 2.98Å; K149-T151 PolarHBondContact O-N 3.19Å | ||
| 150 | S | 43.6 | Very low | 35.7 | Very low | 20 Ų | 20 | 81.4 Ų | 81.4 | 14% | 0.14 | 46% | 0.463 | C | S | . | . | trans | -32.6 | 127.1 | 166.8 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | F101 K103 N104 P105 | F101-S150 PolarHBondContact N-O 2.83Å; K103-S150 PolarHBondContact O-OG 2.98Å; N104-S150 WeakPolarHBondContact CA-OG 3.32Å; N104-S150 WeakPolarHBondContact OD1-CB 3.32Å; P105-S150 WeakPolarHBondContact CD-OG 3.48Å | ||
| 151 | T | 44.8 | Very low | 36.2 | Very low | 12 Ų | 12 | 80.7 Ų | 80.7 | 7% | 0.074 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 151 | 175.3 | 52.4 | 0 | 0 | 0 | 0 | 108.3 | C100 S134 S135 K149 | C100-T151 HydrophobicContact CB-CG2 4.43Å; S134-T151 WeakPolarHBondContact CA-O 3.16Å; S134-T151 WeakPolarHBondContact CB-O 3.33Å; S134-T151 PolarHBondContact OG-O 3.18Å; S135-T151 PolarHBondContact N-OG1 2.98Å; S135-T151 PolarHBondContact O-OG1 3.3Å; K149-T151 PolarHBondContact O-N 3.19Å |
| 152 | A | 41.4 | Very low | 36.5 | Very low | 15 Ų | 15 | 87.2 Ų | 87.2 | 12% | 0.124 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | I99 F101 S133 | I99-A152 PolarHBondContact N-O 2.88Å; I99-A152 PolarHBondContact O-N 3.02Å; I99-A152 VanDerWaalsContact O-O 3.13Å; F101-A152 HydrophobicContact CD2-CB 4.4Å; F101-A152 HydrophobicContact CE2-CB 3.68Å; S133-A152 CarbonylContact O-C 3.46Å |
| 153 | M | 42 | Very low | 36.6 | Very low | 38 Ų | 38 | 84.2 Ų | 84.2 | 19% | 0.187 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.2 | 178.4 | -172.3 | 169.8 | 170.7 | 0 | 0 | 107.5 | I88 F96 S133 | I88-M153 HydrophobicContact CD1-CE 3.47Å; I88-M153 VanDerWaalsContact CD1-CE 3.47Å; I88-M153 HydrophobicContact CD1-CG 3.98Å; I88-M153 HydrophobicContact CD1-SD 3.56Å; I88-M153 VanDerWaalsContact CD1-SD 3.56Å; I88-M153 HydrophobicContact CG2-CE 4.42Å; F96-M153 HydrophobicContact CB-CE 3.88Å; F96-M153 HydrophobicContact CD1-CE 3.68Å; F96-M153 HydrophobicContact CD2-CE 4.5Å; F96-M153 HydrophobicContact CE1-CE 4.33Å; F96-M153 HydrophobicContact CG-CE 3.79Å; S133-M153 WeakPolarHBondContact O-CA 3.34Å; S133-M153 WeakPolarHBondContact O-CB 3.37Å; S133-M153 PolarHBondContact O-N 3.14Å |
| 154 | I | 44.8 | Very low | 36.6 | Very low | 20 Ų | 20 | 82.3 Ų | 82.3 | 10% | 0.103 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.8 | -179.6 | -55.4 | 165.7 | 0 | 0 | 0 | 108.1 | L57 F62 L97 I99 L156 | L57-I154 HydrophobicContact CD1-CD1 4.28Å; F62-I154 HydrophobicContact CD2-CD1 3.64Å; F62-I154 HydrophobicContact CD2-CG1 4.34Å; F62-I154 HydrophobicContact CE1-CD1 4.08Å; F62-I154 HydrophobicContact CE2-CD1 3.08Å; F62-I154 HydrophobicContact CE2-CG1 3.59Å; F62-I154 HydrophobicContact CG-CD1 4.4Å; F62-I154 HydrophobicContact CZ-CD1 3.34Å; F62-I154 HydrophobicContact CZ-CG1 4.08Å; L97-I154 PolarHBondContact N-O 3.21Å; L97-I154 VanDerWaalsContact N-O 3.08Å; L97-I154 PolarHBondContact O-N 2.94Å; I99-I154 HydrophobicContact CD1-CD1 3.32Å; I99-I154 HydrophobicContact CG1-CD1 3.75Å; I154-L156 HydrophobicContact CG2-CD2 4.34Å; I154-L156 PolarHBondContact O-N 2.79Å |
| 155 | F | 38.2 | Very low | 36.7 | Very low | 95 Ų | 95 | 84.3 Ų | 84.3 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 105.8 | 174.7 | -62.3 | -99.1 | 0 | 0 | 0 | 108 | F96 V131 N157 | F96-F155 AromaticContact CD1-CD1 3.94Å; F96-F155 HydrophobicContact CD1-CD1 3.94Å; F96-F155 HydrophobicContact CD1-CE1 4.21Å; F96-F155 AromaticContact CE1-CD1 3.49Å; F96-F155 HydrophobicContact CE1-CD1 3.49Å; F96-F155 VanDerWaalsContact CE1-CD1 3.49Å; F96-F155 AromaticContact CE1-CE1 3.65Å; F96-F155 HydrophobicContact CE1-CE1 3.65Å; V131-F155 HydrophobicContact CG1-CE2 4.42Å; V131-F155 HydrophobicContact CG1-CZ 4.37Å; V131-F155 WeakPolarHBondContact O-CD2 3.4Å; V131-F155 WeakPolarHBondContact O-CE2 3.35Å; F155-N157 PolarHBondContact O-N 3.44Å |
| 156 | L | 42.7 | Very low | 36.8 | Very low | 30 Ų | 30 | 78.8 Ų | 78.8 | 16% | 0.157 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 92.7 | 167.2 | -63.2 | 172.3 | 0 | 0 | 0 | 107 | F56 L57 L95 L97 I154 G158 | F56-L156 WeakPolarHBondContact O-CD1 3.48Å; F56-L156 WeakPolarHBondContact O-CD2 3.3Å; L57-L156 HydrophobicContact CD1-CD2 4.47Å; L95-L156 HydrophobicContact CB-CB 4.44Å; L95-L156 HydrophobicContact CD2-CD1 4.32Å; L95-L156 PolarHBondContact N-O 3.1Å; L95-L156 CarbonylContact O-C 3.29Å; L95-L156 WeakPolarHBondContact O-CA 3.33Å; L95-L156 VanDerWaalsContact O-CB 3.32Å; L95-L156 WeakPolarHBondContact O-CB 2.91Å; L95-L156 PolarHBondContact O-N 2.83Å; L95-L156 VanDerWaalsContact O-N 3.14Å; L97-L156 HydrophobicContact CB-CD1 3.86Å; L97-L156 HydrophobicContact CB-CG 4.42Å; L97-L156 HydrophobicContact CD2-CD1 4.11Å; I154-L156 HydrophobicContact CG2-CD2 4.34Å; I154-L156 PolarHBondContact O-N 2.79Å; L156-G158 PolarHBondContact O-N 3.07Å |
| 157 | N | 36.5 | Very low | 36.7 | Very low | 113 Ų | 113 | 81.2 Ų | 81.2 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | trans | -61.8 | 133.4 | 170.1 | -162.8 | 5.6 | 0 | 0 | 0 | 108.1 | F155 N159 | F155-N157 PolarHBondContact O-N 3.44Å; N157-N159 CarbonylContact O-C 3.54Å; N157-N159 PolarHBondContact O-N 3.35Å | ||
| 158 | G | 33.4 | Very low | 36.5 | Very low | 32 Ų | 32 | 77.6 Ų | 77.6 | 33% | 0.33 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -62 | 11.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L156 I160 | L156-G158 PolarHBondContact O-N 3.07Å; G158-I160 PolarHBondContact O-N 2.99Å |
| 159 | N | 34.6 | Very low | 36.4 | Very low | 133 Ų | 133 | 79 Ų | 79 | 71% | 0.711 | 46% | 0.457 | S | S | * | . | trans | -74.1 | 82 | 157.2 | -70.5 | -14.5 | 0 | 0 | 0 | 107.3 | N157 L161 | N157-N159 CarbonylContact O-C 3.54Å; N157-N159 PolarHBondContact O-N 3.35Å; N159-L161 PolarHBondContact O-N 3.07Å | ||
| 160 | I | 39.6 | Very low | 36.2 | Very low | 76 Ų | 76 | 80.7 Ų | 80.7 | 39% | 0.39 | 47% | 0.468 | S | S | . | . | trans | -41.5 | 110 | 159.4 | -63 | 162.9 | 0 | 0 | 0 | 105.7 | L28 G158 K162 | L28-I160 HydrophobicContact CD2-CD1 3.59Å; L28-I160 HydrophobicContact CD2-CG1 4.1Å; G158-I160 PolarHBondContact O-N 2.99Å; I160-K162 HydrophobicContact CG2-CG 3.99Å; I160-K162 PolarHBondContact O-N 3.49Å | ||
| 161 | L | 37.7 | Very low | 35.9 | Very low | 108 Ų | 108 | 85.8 Ų | 85.8 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | trans | -68 | 77.3 | 169.8 | -98.5 | 152.8 | 0 | 0 | 0 | 105.8 | N159 I163 | N159-L161 PolarHBondContact O-N 3.07Å; L161-I163 HydrophobicContact CB-CG1 4.35Å; L161-I163 HydrophobicContact CD2-CD1 3.88Å; L161-I163 HydrophobicContact CD2-CG1 3.61Å; L161-I163 PolarHBondContact O-N 3.39Å | ||
| 162 | K | 32.4 | Very low | 35.5 | Very low | 181 Ų | 181 | 91.8 Ų | 91.8 | 79% | 0.787 | 52% | 0.523 | S | S | * | . | trans | -64.6 | 76.6 | 152.2 | -77.3 | -173.1 | 176.8 | 179.3 | 0 | 106 | I160 S164 | I160-K162 HydrophobicContact CG2-CG 3.99Å; I160-K162 PolarHBondContact O-N 3.49Å; K162-S164 PolarHBondContact O-N 2.84Å | ||
| 163 | I | 30.6 | Very low | 35.5 | Very low | 114 Ų | 114 | 98.6 Ų | 98.6 | 59% | 0.585 | 55% | 0.547 | S | S | * | . | trans | -70.9 | 72.9 | 153.1 | -58.3 | 171.3 | 0 | 0 | 0 | 105.4 | L161 S165 | L161-I163 HydrophobicContact CB-CG1 4.35Å; L161-I163 HydrophobicContact CD2-CD1 3.88Å; L161-I163 HydrophobicContact CD2-CG1 3.61Å; L161-I163 PolarHBondContact O-N 3.39Å; I163-S165 PolarHBondContact O-N 3.13Å | ||
| 164 | S | 30.7 | Very low | 35.8 | Very low | 62 Ų | 62 | 99.6 Ų | 99.6 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | trans | 10.2 | 95.2 | 134.8 | 36.7 | 0 | 0 | 0 | 0 | 115.3 | K162 S166 | K162-S164 PolarHBondContact O-N 2.84Å; S164-S166 WeakPolarHBondContact CB-O 3.46Å; S164-S166 PolarHBondContact O-N 3.48Å | ||
| 165 | S | 31.9 | Very low | 36.2 | Very low | 127 Ų | 127 | 102.1 Ų | 102.1 | 89% | 0.888 | 58% | 0.577 | S | S | * | * | S | Bend | -78.2 | 58.3 | 126.7 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | I163 | I163-S165 PolarHBondContact O-N 3.13Š| |
| 166 | S | 31.4 | Very low | 37 | Very low | 86 Ų | 86 | 107.7 Ų | 107.7 | 60% | 0.601 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 177.4 | 103 | 163.2 | 34.8 | 0 | 0 | 0 | 0 | 108.4 | S164 | S164-S166 WeakPolarHBondContact CB-O 3.46Å; S164-S166 PolarHBondContact O-N 3.48Å |
| 167 | S | 28.8 | Very low | 38 | Very low | 98 Ų | 98 | 109.8 Ų | 109.8 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | trans | 44.6 | 115.7 | 156.2 | 56.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 168 | S | 28.7 | Very low | 39.3 | Very low | 91 Ų | 91 | 109.2 Ų | 109.2 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | trans | -15.4 | 138.7 | 152.4 | -32.4 | 0 | 0 | 0 | 0 | 113.5 | I170 | S168-I170 PolarHBondContact O-N 3.3Š| ||
| 169 | P | 31.8 | Very low | 41 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 79% | 0.792 | 62% | 0.621 | S | S | * | * | trans | -69.6 | 82.9 | 165.6 | 31.7 | -30.3 | 0 | 0 | 0 | 106.4 | I171 | P169-I171 VanDerWaalsContact C-N 3.25Å; P169-I171 PolarHBondContact O-N 3.36Å | ||
| 170 | I | 34.1 | Very low | 42.7 | Very low | 122 Ų | 122 | 110.3 Ų | 110.3 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | trans | -52.3 | 112.2 | 145.2 | -58.5 | 171.3 | 0 | 0 | 0 | 101.7 | S168 L172 | S168-I170 PolarHBondContact O-N 3.3Å; I170-L172 HydrophobicContact CB-CD1 3.89Å; I170-L172 HydrophobicContact CG2-CD1 3.66Å; I170-L172 HydrophobicContact CG2-CG 4.34Å; I170-L172 PolarHBondContact O-N 2.89Å | ||
| 171 | I | 37.3 | Very low | 44.7 | Very low | 126 Ų | 126 | 110.9 Ų | 110.9 | 65% | 0.646 | 62% | 0.615 | S | S | * | * | trans | -60.8 | 80.6 | 165.3 | -57.7 | 169.7 | 0 | 0 | 0 | 104.3 | P169 Y173 | P169-I171 VanDerWaalsContact C-N 3.25Å; P169-I171 PolarHBondContact O-N 3.36Å; I171-Y173 HydrophobicContact CB-CE2 4.4Å; I171-Y173 HydrophobicContact CG2-CD2 3.68Å; I171-Y173 HydrophobicContact CG2-CE1 4.48Å; I171-Y173 HydrophobicContact CG2-CE2 3.47Å; I171-Y173 VanDerWaalsContact CG2-CE2 3.47Å; I171-Y173 HydrophobicContact CG2-CG 4.28Å; I171-Y173 PolarHBondContact O-N 3.32Å | ||
| 172 | L | 36.4 | Very low | 46.8 | Very low | 138 Ų | 138 | 109.5 Ų | 109.5 | 72% | 0.723 | 61% | 0.607 | S | S | * | * | trans | -69.7 | 88.1 | 158.4 | -94.5 | 103.7 | 0 | 0 | 0 | 102.7 | I170 S174 | I170-L172 HydrophobicContact CB-CD1 3.89Å; I170-L172 HydrophobicContact CG2-CD1 3.66Å; I170-L172 HydrophobicContact CG2-CG 4.34Å; I170-L172 PolarHBondContact O-N 2.89Å; L172-S174 PolarHBondContact O-N 3.34Å | ||
| 173 | Y | 41.7 | Very low | 49.2 | Very low | 159 Ų | 159 | 102.2 Ų | 102.2 | 62% | 0.624 | 58% | 0.584 | S | S | * | * | trans | -43.5 | 105.6 | 145 | -70.4 | -84.6 | 0 | 0 | 0 | 105.1 | I171 S175 | I171-Y173 HydrophobicContact CB-CE2 4.4Å; I171-Y173 HydrophobicContact CG2-CD2 3.68Å; I171-Y173 HydrophobicContact CG2-CE1 4.48Å; I171-Y173 HydrophobicContact CG2-CE2 3.47Å; I171-Y173 VanDerWaalsContact CG2-CE2 3.47Å; I171-Y173 HydrophobicContact CG2-CG 4.28Å; I171-Y173 PolarHBondContact O-N 3.32Å; Y173-S175 PolarHBondContact O-N 3.03Å | ||
| 174 | S | 48.3 | Very low | 51.7 | Low | 58 Ų | 58 | 103.7 Ų | 103.7 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | trans | -46.6 | 121.9 | 168.9 | 169.1 | 0 | 0 | 0 | 0 | 105.4 | L172 W176 T177 | L172-S174 PolarHBondContact O-N 3.34Å; S174-W176 PolarHBondContact O-N 3.16Å; S174-W176 WeakPolarHBondContact OG-CB 3.2Å; S174-T177 PolarHBondContact O-N 2.74Å; S174-T177 PolarHBondContact O-OG1 2.85Å | ||
| 175 | S | 54.6 | Low | 54.5 | Low | 74 Ų | 74 | 105.7 Ų | 105.7 | 52% | 0.517 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -50.7 | -26.3 | -175.6 | -43.9 | 0 | 0 | 0 | 0 | 111.2 | Y173 T177 L178 F179 | Y173-S175 PolarHBondContact O-N 3.03Å; S175-T177 PolarHBondContact O-N 2.7Å; S175-L178 PolarHBondContact O-N 2.9Å; S175-F179 WeakPolarHBondContact O-CD2 3.02Å; S175-F179 PolarHBondContact O-N 3.27Å |
| 176 | W | 54.7 | Low | 57.2 | Low | 211 Ų | 211 | 103.9 Ų | 103.9 | 80% | 0.799 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.3 | -33.2 | 173.7 | -62.4 | 88.6 | 0 | 0 | 0 | 115.6 | S174 G180 | S174-W176 PolarHBondContact O-N 3.16Å; S174-W176 WeakPolarHBondContact OG-CB 3.2Å; W176-G180 WeakPolarHBondContact O-CA 3.42Å; W176-G180 PolarHBondContact O-N 2.91Å |
| 177 | T | 63.3 | Low | 59.8 | Low | 75 Ų | 75 | 104.8 Ų | 104.8 | 46% | 0.46 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.1 | -35.3 | 177 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | S174 S175 G180 V181 | S174-T177 PolarHBondContact O-N 2.74Å; S174-T177 PolarHBondContact O-OG1 2.85Å; S175-T177 PolarHBondContact O-N 2.7Å; T177-G180 PolarHBondContact O-N 2.76Å; T177-V181 VanDerWaalsContact O-CG2 3.25Å; T177-V181 WeakPolarHBondContact O-CG2 3.12Å; T177-V181 PolarHBondContact O-N 3.45Å |
| 178 | L | 63.5 | Low | 62.6 | Low | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.5 | -44.3 | 176 | -150.8 | 115.7 | 0 | 0 | 0 | 111.4 | S175 G180 V181 I182 | S175-L178 PolarHBondContact O-N 2.9Å; L178-G180 VanDerWaalsContact C-N 3.3Å; L178-G180 PolarHBondContact O-N 3.48Å; L178-V181 PolarHBondContact O-N 2.91Å; L178-I182 HydrophobicContact CD2-CD1 3.8Å; L178-I182 HydrophobicContact CG-CD1 4.4Å; L178-I182 WeakPolarHBondContact O-CB 3.12Å; L178-I182 WeakPolarHBondContact O-CD1 3.3Å; L178-I182 VanDerWaalsContact O-CG1 3.25Å; L178-I182 WeakPolarHBondContact O-CG1 3.01Å; L178-I182 PolarHBondContact O-N 2.93Å |
| 179 | F | 69.1 | Low | 65.5 | Low | 145 Ų | 145 | 104.1 Ų | 104.1 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.6 | -35.4 | 171.7 | -73.8 | -62.6 | 0 | 0 | 0 | 112.3 | S175 G183 | S175-F179 WeakPolarHBondContact O-CD2 3.02Å; S175-F179 PolarHBondContact O-N 3.27Å; F179-G183 PolarHBondContact O-N 2.02Å |
| 180 | G | 71.1 | Confident | 68.2 | Low | 43 Ų | 43 | 104.4 Ų | 104.4 | 44% | 0.443 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W176 T177 L178 G183 F184 | W176-G180 WeakPolarHBondContact O-CA 3.42Å; W176-G180 PolarHBondContact O-N 2.91Å; T177-G180 PolarHBondContact O-N 2.76Å; L178-G180 VanDerWaalsContact C-N 3.3Å; L178-G180 PolarHBondContact O-N 3.48Å; G180-G183 PolarHBondContact O-N 2.76Å; G180-F184 WeakPolarHBondContact O-CB 3.41Å; G180-F184 PolarHBondContact O-N 3.09Å |
| 181 | V | 81.3 | Confident | 70.8 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | T177 L178 G183 F184 I185 | T177-V181 VanDerWaalsContact O-CG2 3.25Å; T177-V181 WeakPolarHBondContact O-CG2 3.12Å; T177-V181 PolarHBondContact O-N 3.45Å; L178-V181 PolarHBondContact O-N 2.91Å; V181-G183 VanDerWaalsContact C-N 3.35Å; V181-F184 PolarHBondContact O-N 3.36Å; V181-I185 HydrophobicContact CG1-CD1 3.94Å; V181-I185 VanDerWaalsContact O-CG1 3.28Å; V181-I185 WeakPolarHBondContact O-CG1 3.44Å; V181-I185 PolarHBondContact O-N 3.12Å |
| 182 | I | 82 | Confident | 73.2 | Confident | 80 Ų | 80 | 102.5 Ų | 102.5 | 41% | 0.41 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.5 | -67.1 | 166.2 | 0 | 0 | 0 | 110.4 | L178 F184 I185 I186 | L178-I182 HydrophobicContact CD2-CD1 3.8Å; L178-I182 HydrophobicContact CG-CD1 4.4Å; L178-I182 WeakPolarHBondContact O-CB 3.12Å; L178-I182 WeakPolarHBondContact O-CD1 3.3Å; L178-I182 VanDerWaalsContact O-CG1 3.25Å; L178-I182 WeakPolarHBondContact O-CG1 3.01Å; L178-I182 PolarHBondContact O-N 2.93Å; I182-F184 PolarHBondContact O-N 3.14Å; I182-I185 PolarHBondContact O-N 3.38Å; I182-I186 HydrophobicContact CG2-CD1 3.78Å; I182-I186 HydrophobicContact CG2-CG1 4.49Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.33Å; I182-I186 PolarHBondContact O-N 3.08Å |
| 183 | G | 81.9 | Confident | 75.8 | Confident | 28 Ų | 28 | 99.6 Ų | 99.6 | 29% | 0.289 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F179 G180 V181 I186 I187 | F179-G183 PolarHBondContact O-N 2.02Å; G180-G183 PolarHBondContact O-N 2.76Å; V181-G183 VanDerWaalsContact C-N 3.35Å; G183-I186 PolarHBondContact O-N 3.01Å; G183-I187 WeakPolarHBondContact O-CB 3.47Å; G183-I187 VanDerWaalsContact O-CG1 3.25Å; G183-I187 WeakPolarHBondContact O-CG1 3.34Å; G183-I187 PolarHBondContact O-N 3.33Å |
| 184 | F | 83.7 | Confident | 77.9 | Confident | 144 Ų | 144 | 96.7 Ų | 96.7 | 63% | 0.632 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 176.6 | -175 | -97.9 | 0 | 0 | 0 | 111.7 | G180 V181 I182 I186 I187 S188 | G180-F184 WeakPolarHBondContact O-CB 3.41Å; G180-F184 PolarHBondContact O-N 3.09Å; V181-F184 PolarHBondContact O-N 3.36Å; I182-F184 PolarHBondContact O-N 3.14Å; F184-I186 PolarHBondContact O-N 2.72Å; F184-I187 PolarHBondContact O-N 2.74Å; F184-S188 WeakPolarHBondContact O-CB 2.96Å; F184-S188 PolarHBondContact O-N 2.83Å; F184-S188 PolarHBondContact O-OG 3.47Å; F184-S188 VanDerWaalsContact O-OG 3.05Å |
| 185 | I | 88.4 | Confident | 79.7 | Confident | 104 Ų | 104 | 98.2 Ų | 98.2 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 178.1 | -67.4 | 166.2 | 0 | 0 | 0 | 111.3 | V181 I182 S188 F189 | V181-I185 HydrophobicContact CG1-CD1 3.94Å; V181-I185 VanDerWaalsContact O-CG1 3.28Å; V181-I185 WeakPolarHBondContact O-CG1 3.44Å; V181-I185 PolarHBondContact O-N 3.12Å; I182-I185 PolarHBondContact O-N 3.38Å; I185-S188 PolarHBondContact O-N 3.22Å; I185-F189 WeakPolarHBondContact O-CB 3.03Å; I185-F189 PolarHBondContact O-N 3.23Å |
| 186 | I | 88.6 | Confident | 81.3 | Confident | 90 Ų | 90 | 98 Ų | 98 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 179.3 | -67.3 | 168.1 | 0 | 0 | 0 | 110.8 | I182 G183 F184 F189 F190 | I182-I186 HydrophobicContact CG2-CD1 3.78Å; I182-I186 HydrophobicContact CG2-CG1 4.49Å; I182-I186 VanDerWaalsContact O-CG1 3.3Å; I182-I186 WeakPolarHBondContact O-CG1 3.33Å; I182-I186 PolarHBondContact O-N 3.08Å; G183-I186 PolarHBondContact O-N 3.01Å; F184-I186 PolarHBondContact O-N 2.72Å; I186-F189 PolarHBondContact O-N 3.11Å; I186-F190 HydrophobicContact CG2-CD2 4.01Å; I186-F190 HydrophobicContact CG2-CE2 4.29Å; I186-F190 PolarHBondContact O-N 3.02Å |
| 187 | I | 87.7 | Confident | 82.6 | Confident | 105 Ų | 105 | 92.5 Ų | 92.5 | 54% | 0.538 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 178.5 | -68.7 | 166.7 | 0 | 0 | 0 | 110.4 | G183 F184 F189 F190 L191 | G183-I187 WeakPolarHBondContact O-CB 3.47Å; G183-I187 VanDerWaalsContact O-CG1 3.25Å; G183-I187 WeakPolarHBondContact O-CG1 3.34Å; G183-I187 PolarHBondContact O-N 3.33Å; F184-I187 PolarHBondContact O-N 2.74Å; I187-F189 VanDerWaalsContact C-N 3.33Å; I187-F189 PolarHBondContact O-N 3.39Å; I187-F190 PolarHBondContact O-N 3.01Å; I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.4Å; I187-L191 WeakPolarHBondContact O-CG 3.33Å; I187-L191 PolarHBondContact O-N 3.4Å |
| 188 | S | 86.3 | Confident | 83.3 | Confident | 39 Ų | 39 | 91.9 Ų | 91.9 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 176 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | F184 I185 L191 I192 | F184-S188 WeakPolarHBondContact O-CB 2.96Å; F184-S188 PolarHBondContact O-N 2.83Å; F184-S188 PolarHBondContact O-OG 3.47Å; F184-S188 VanDerWaalsContact O-OG 3.05Å; I185-S188 PolarHBondContact O-N 3.22Å; S188-L191 PolarHBondContact O-N 2.77Å; S188-I192 VanDerWaalsContact O-CG1 3.26Å; S188-I192 WeakPolarHBondContact O-CG1 3.19Å; S188-I192 PolarHBondContact O-N 3.49Å |
| 189 | F | 90.1 | Very high | 84 | Confident | 136 Ų | 136 | 90.6 Ų | 90.6 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 176.6 | -169.5 | -93.8 | 0 | 0 | 0 | 112.1 | I185 I186 I187 L191 I192 L193 | I185-F189 WeakPolarHBondContact O-CB 3.03Å; I185-F189 PolarHBondContact O-N 3.23Å; I186-F189 PolarHBondContact O-N 3.11Å; I187-F189 VanDerWaalsContact C-N 3.33Å; I187-F189 PolarHBondContact O-N 3.39Å; F189-L191 PolarHBondContact O-N 2.91Å; F189-I192 PolarHBondContact O-N 3.46Å; F189-L193 WeakPolarHBondContact O-CB 3.29Å; F189-L193 PolarHBondContact O-N 3.37Å |
| 190 | F | 88.3 | Confident | 84.4 | Confident | 127 Ų | 127 | 88.4 Ų | 88.4 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 175.4 | -101.6 | -83.9 | 0 | 0 | 0 | 112.6 | I186 I187 L193 L194 | I186-F190 HydrophobicContact CG2-CD2 4.01Å; I186-F190 HydrophobicContact CG2-CE2 4.29Å; I186-F190 PolarHBondContact O-N 3.02Å; I187-F190 PolarHBondContact O-N 3.01Å; F190-L193 PolarHBondContact O-N 3.02Å; F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 3.28Å |
| 191 | L | 88.2 | Confident | 84.3 | Confident | 101 Ų | 101 | 95.3 Ų | 95.3 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.7 | -71.3 | 172 | 0 | 0 | 0 | 111.6 | I187 S188 F189 L193 L194 V195 | I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.4Å; I187-L191 WeakPolarHBondContact O-CG 3.33Å; I187-L191 PolarHBondContact O-N 3.4Å; S188-L191 PolarHBondContact O-N 2.77Å; F189-L191 PolarHBondContact O-N 2.91Å; L191-L193 VanDerWaalsContact C-N 3.32Å; L191-L193 PolarHBondContact O-N 3.43Å; L191-L194 PolarHBondContact O-N 2.88Å; L191-V195 WeakPolarHBondContact O-CG2 3.44Å; L191-V195 PolarHBondContact O-N 3.2Å |
| 192 | I | 88.9 | Confident | 83.6 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 55% | 0.554 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 175 | -67.4 | 165.1 | 0 | 0 | 0 | 110.4 | S188 F189 L194 V195 V196 | S188-I192 VanDerWaalsContact O-CG1 3.26Å; S188-I192 WeakPolarHBondContact O-CG1 3.19Å; S188-I192 PolarHBondContact O-N 3.49Å; F189-I192 PolarHBondContact O-N 3.46Å; I192-L194 VanDerWaalsContact C-N 3.35Å; I192-L194 PolarHBondContact O-N 2.86Å; I192-V195 PolarHBondContact O-N 3.2Å; I192-V196 HydrophobicContact CG2-CG2 4.43Å; I192-V196 WeakPolarHBondContact O-CG2 3.17Å; I192-V196 PolarHBondContact O-N 2.79Å |
| 193 | L | 90.1 | Very high | 82.5 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 40% | 0.403 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.6 | -166.7 | 78.6 | 0 | 0 | 0 | 111.8 | F189 F190 L191 V196 L197 | F189-L193 WeakPolarHBondContact O-CB 3.29Å; F189-L193 PolarHBondContact O-N 3.37Å; F190-L193 PolarHBondContact O-N 3.02Å; L191-L193 VanDerWaalsContact C-N 3.32Å; L191-L193 PolarHBondContact O-N 3.43Å; L193-V196 PolarHBondContact O-N 3.39Å; L193-L197 HydrophobicContact CD2-CD1 4.37Å; L193-L197 HydrophobicContact CG-CD1 4.12Å; L193-L197 WeakPolarHBondContact O-CB 3.2Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.24Å; L193-L197 PolarHBondContact O-N 2.92Å |
| 194 | L | 86.3 | Confident | 81.2 | Confident | 97 Ų | 97 | 108.7 Ų | 108.7 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 176.1 | -74.5 | 173.8 | 0 | 0 | 0 | 112.1 | F190 L191 I192 S198 | F190-L194 WeakPolarHBondContact O-CG 3.48Å; F190-L194 PolarHBondContact O-N 3.28Å; L191-L194 PolarHBondContact O-N 2.88Å; I192-L194 VanDerWaalsContact C-N 3.35Å; I192-L194 PolarHBondContact O-N 2.86Å; L194-S198 VanDerWaalsContact O-CB 3.25Å; L194-S198 WeakPolarHBondContact O-CB 3.39Å; L194-S198 PolarHBondContact O-N 3.38Å; L194-S198 PolarHBondContact O-OG 3.39Å |
| 195 | V | 86.6 | Confident | 79.8 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | L191 I192 S198 C199 | L191-V195 WeakPolarHBondContact O-CG2 3.44Å; L191-V195 PolarHBondContact O-N 3.2Å; I192-V195 PolarHBondContact O-N 3.2Å; V195-S198 PolarHBondContact O-N 2.92Å; V195-C199 WeakPolarHBondContact O-CB 3.22Å; V195-C199 PolarHBondContact O-N 2.68Å; V195-C199 PolarHBondContact O-SG 3.44Å |
| 196 | V | 86.4 | Confident | 77.9 | Confident | 71 Ų | 71 | 105.5 Ų | 105.5 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 178.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | I192 L193 S198 C199 I200 | I192-V196 HydrophobicContact CG2-CG2 4.43Å; I192-V196 WeakPolarHBondContact O-CG2 3.17Å; I192-V196 PolarHBondContact O-N 2.79Å; L193-V196 PolarHBondContact O-N 3.39Å; V196-S198 VanDerWaalsContact C-N 3.31Å; V196-S198 PolarHBondContact O-N 3.49Å; V196-C199 PolarHBondContact O-N 2.65Å; V196-I200 HydrophobicContact CG1-CD1 3.85Å; V196-I200 HydrophobicContact CG1-CG1 4.46Å; V196-I200 VanDerWaalsContact O-CG1 3.3Å; V196-I200 WeakPolarHBondContact O-CG1 3.29Å; V196-I200 PolarHBondContact O-N 3.23Å |
| 197 | L | 83.1 | Confident | 75.8 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 175.8 | -75.3 | 168.9 | 0 | 0 | 0 | 111.6 | L193 I200 R201 | L193-L197 HydrophobicContact CD2-CD1 4.37Å; L193-L197 HydrophobicContact CG-CD1 4.12Å; L193-L197 WeakPolarHBondContact O-CB 3.2Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.24Å; L193-L197 PolarHBondContact O-N 2.92Å; L197-I200 PolarHBondContact O-N 3.43Å; L197-R201 VanDerWaalsContact O-CB 3.29Å; L197-R201 WeakPolarHBondContact O-CB 3.45Å; L197-R201 PolarHBondContact O-N 3.1Å |
| 198 | S | 78.4 | Confident | 73.7 | Confident | 62 Ų | 62 | 105.7 Ų | 105.7 | 43% | 0.434 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 174.6 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | L194 V195 V196 I200 R201 I202 | L194-S198 VanDerWaalsContact O-CB 3.25Å; L194-S198 WeakPolarHBondContact O-CB 3.39Å; L194-S198 PolarHBondContact O-N 3.38Å; L194-S198 PolarHBondContact O-OG 3.39Å; V195-S198 PolarHBondContact O-N 2.92Å; V196-S198 VanDerWaalsContact C-N 3.31Å; V196-S198 PolarHBondContact O-N 3.49Å; S198-I200 PolarHBondContact O-N 3.38Å; S198-R201 PolarHBondContact O-N 3.1Å; S198-I202 WeakPolarHBondContact O-CB 3.36Å; S198-I202 WeakPolarHBondContact O-CD1 2.91Å; S198-I202 WeakPolarHBondContact O-CG1 3.1Å; S198-I202 PolarHBondContact O-N 3.24Å |
| 199 | C | 78.4 | Confident | 71.5 | Confident | 73 Ų | 73 | 111.1 Ų | 111.1 | 49% | 0.493 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.1 | -40 | 174 | -75.8 | 0 | 0 | 0 | 0 | 112.6 | V195 V196 R203 | V195-C199 WeakPolarHBondContact O-CB 3.22Å; V195-C199 PolarHBondContact O-N 2.68Å; V195-C199 PolarHBondContact O-SG 3.44Å; V196-C199 PolarHBondContact O-N 2.65Å; C199-R203 WeakPolarHBondContact O-CB 3.33Å; C199-R203 PolarHBondContact O-N 2.96Å |
| 200 | I | 75.8 | Confident | 69.1 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.5 | -42.4 | 174.9 | -68.2 | 167.7 | 0 | 0 | 0 | 110.4 | V196 L197 S198 R203 K204 | V196-I200 HydrophobicContact CG1-CD1 3.85Å; V196-I200 HydrophobicContact CG1-CG1 4.46Å; V196-I200 VanDerWaalsContact O-CG1 3.3Å; V196-I200 WeakPolarHBondContact O-CG1 3.29Å; V196-I200 PolarHBondContact O-N 3.23Å; L197-I200 PolarHBondContact O-N 3.43Å; S198-I200 PolarHBondContact O-N 3.38Å; I200-R203 PolarHBondContact O-N 3.12Å; I200-K204 WeakPolarHBondContact O-CB 3.1Å; I200-K204 PolarHBondContact O-N 3.46Å |
| 201 | R | 70.3 | Confident | 66.7 | Low | 189 Ų | 189 | 114.6 Ų | 114.6 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.3 | -40.1 | 177.9 | -155.4 | 175.1 | -166.8 | 161.3 | 2.1 | 111.7 | L197 S198 K204 N205 | L197-R201 VanDerWaalsContact O-CB 3.29Å; L197-R201 WeakPolarHBondContact O-CB 3.45Å; L197-R201 PolarHBondContact O-N 3.1Å; S198-R201 PolarHBondContact O-N 3.1Å; R201-K204 PolarHBondContact O-N 2.9Å; R201-N205 WeakPolarHBondContact O-CB 3.45Å; R201-N205 PolarHBondContact O-N 3.24Å |
| 202 | I | 65.4 | Low | 64 | Low | 105 Ų | 105 | 120.7 Ų | 120.7 | 54% | 0.538 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.7 | -44.8 | 172.2 | -69.5 | 164.3 | 0 | 0 | 0 | 110.2 | S198 K204 N205 T206 | S198-I202 WeakPolarHBondContact O-CB 3.36Å; S198-I202 WeakPolarHBondContact O-CD1 2.91Å; S198-I202 WeakPolarHBondContact O-CG1 3.1Å; S198-I202 PolarHBondContact O-N 3.24Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.32Å; I202-N205 PolarHBondContact O-N 3.01Å; I202-T206 HydrophobicContact CG2-CG2 4.34Å; I202-T206 WeakPolarHBondContact O-CB 3.36Å; I202-T206 PolarHBondContact O-N 2.77Å; I202-T206 PolarHBondContact O-OG1 3.2Å |
| 203 | R | 59.2 | Low | 61.6 | Low | 207 Ų | 207 | 123.1 Ų | 123.1 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.4 | -39.5 | 174.3 | -95 | -175.5 | 171.8 | 174.5 | -1.2 | 112.6 | C199 I200 T206 G207 | C199-R203 WeakPolarHBondContact O-CB 3.33Å; C199-R203 PolarHBondContact O-N 2.96Å; I200-R203 PolarHBondContact O-N 3.12Å; R203-T206 VanDerWaalsContact CA-OG1 3.32Å; R203-T206 WeakPolarHBondContact CA-OG1 3.29Å; R203-T206 PolarHBondContact O-OG1 2.66Å; R203-G207 PolarHBondContact O-N 3.44Å |
| 204 | K | 55.7 | Low | 58.8 | Low | 164 Ų | 164 | 126.2 Ų | 126.2 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.1 | -33.9 | 177.8 | -154.7 | 174.1 | -177.4 | 179.2 | 0 | 112.1 | I200 R201 I202 | I200-K204 WeakPolarHBondContact O-CB 3.1Å; I200-K204 PolarHBondContact O-N 3.46Å; R201-K204 PolarHBondContact O-N 2.9Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.32Å |
| 205 | N | 53.9 | Low | 56.3 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 55% | 0.545 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -82.7 | -28.8 | 175.7 | -74.6 | 1.2 | 0 | 0 | 0 | 113.7 | R201 I202 I208 | R201-N205 WeakPolarHBondContact O-CB 3.45Å; R201-N205 PolarHBondContact O-N 3.24Å; I202-N205 PolarHBondContact O-N 3.01Å; N205-I208 PolarHBondContact O-N 3.35Å |
| 206 | T | 48.1 | Very low | 54.3 | Low | 80 Ų | 80 | 128.5 Ų | 128.5 | 49% | 0.491 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -79.8 | -17.8 | 174.3 | 40.1 | 0 | 0 | 0 | 0 | 112.9 | I202 R203 I208 H209 | I202-T206 HydrophobicContact CG2-CG2 4.34Å; I202-T206 WeakPolarHBondContact O-CB 3.36Å; I202-T206 PolarHBondContact O-N 2.77Å; I202-T206 PolarHBondContact O-OG1 3.2Å; R203-T206 VanDerWaalsContact CA-OG1 3.32Å; R203-T206 WeakPolarHBondContact CA-OG1 3.29Å; R203-T206 PolarHBondContact O-OG1 2.66Å; T206-I208 PolarHBondContact O-N 3.42Å; T206-H209 PolarHBondContact O-N 3.48Å |
| 207 | G | 43.9 | Very low | 51.8 | Low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -16.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R203 | R203-G207 PolarHBondContact O-N 3.44Š|
| 208 | I | 44.4 | Very low | 49.2 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -18 | 178.1 | -63.7 | 172.2 | 0 | 0 | 0 | 111.9 | N205 T206 | N205-I208 PolarHBondContact O-N 3.35Å; T206-I208 PolarHBondContact O-N 3.42Å |
| 209 | H | 39.9 | Very low | 47.2 | Very low | 154 Ų | 154 | 140 Ų | 140 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | trans | -118.6 | 58.2 | -178.2 | -90.2 | -73.6 | 0 | 0 | 0 | 112.4 | T206 N211 | T206-H209 PolarHBondContact O-N 3.48Å; H209-N211 VanDerWaalsContact C-N 3.33Å; H209-N211 PolarHBondContact O-N 3.28Å | ||
| 210 | K | 39.7 | Very low | 45.3 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | trans | -90.4 | 73.8 | 159.3 | -139.7 | -174.1 | -168.9 | -175.7 | 0 | 108.4 | ||||
| 211 | N | 37.1 | Very low | 43 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | trans | -168.2 | 134.3 | 158.5 | -105.9 | -21.7 | 0 | 0 | 0 | 112.2 | H209 | H209-N211 VanDerWaalsContact C-N 3.33Å; H209-N211 PolarHBondContact O-N 3.28Å | ||
| 212 | R | 32.1 | Very low | 41 | Very low | 228 Ų | 228 | 142.2 Ų | 142.2 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | 84.5 | 105.9 | 175.5 | -58.9 | -179.3 | 176.8 | 178.6 | -1.8 | 114.3 | ||||
| 213 | E | 39.9 | Very low | 39.1 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | 108.2 | 126.1 | 54 | -99.6 | -175 | 157 | 0 | 0 | 110.3 | |||||
| 214 | N | 31.1 | Very low | 37.5 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | trans | 84.8 | 111.9 | 147.1 | -57.5 | -19.5 | 0 | 0 | 0 | 121.7 | ||||
| 215 | V | 32.9 | Very low | 36.2 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -66.4 | 164.3 | 156.4 | -169.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 216 | P | 44.3 | Very low | 34.8 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -147.1 | 168.4 | 33.1 | 23.4 | 5.4 | 0 | 0 | 0 | 120.4 | ||||
| 217 | N | 33.4 | Very low | 34 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | 23.8 | 127.5 | 145 | -65.2 | -16.4 | 0 | 0 | 0 | 121.7 | ||||
| 218 | L | 30 | Very low | 33.6 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -150.1 | 116.1 | 140.5 | -99.1 | 116.4 | 0 | 0 | 0 | 110.9 | ||||
| 219 | I | 36.4 | Very low | 32.8 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | -105.7 | 136.2 | 148.5 | -61.2 | 169 | 0 | 0 | 0 | 104.9 | ||||
| 220 | P | 37.6 | Very low | 32.3 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | -144 | 124.9 | 118.2 | 28.5 | -8.9 | 0 | 0 | 0 | 114.4 | |||||
| 221 | D | 28.9 | Very low | 31.9 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | 35.1 | 133.2 | 122.7 | -103.5 | 11.5 | 0 | 0 | 0 | 123.5 | |||||
| 222 | K | 28.1 | Very low | 31.4 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | 82.1 | 119 | 136.5 | -77 | 177.6 | -177.9 | 174.9 | 0 | 121.3 | ||||
| 223 | L | 24.6 | Very low | 31.2 | Very low | 153 Ų | 153 | 139 Ų | 139 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | 171.7 | 109.9 | 103.5 | -126.1 | 62.8 | 0 | 0 | 0 | 107.4 | |||||
| 224 | S | 24.9 | Very low | 30.7 | Very low | 88 Ų | 88 | 138 Ų | 138 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | 100.6 | 119 | 86.1 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 225 | L | 28.7 | Very low | 30.9 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | 173.6 | 111 | 114.9 | -112.3 | 86.3 | 0 | 0 | 0 | 107.4 | |||||
| 226 | S | 25.8 | Very low | 31 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | 77.9 | 88 | 97.4 | 169.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 227 | H | 30.3 | Very low | 30.2 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | 103.8 | 161.9 | 95.3 | -95.7 | -10.7 | 0 | 0 | 0 | 111.9 | |||||
| 228 | P | 35.2 | Very low | 30 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 62% | 0.623 | 75% | 0.753 | S | S | * | * | -131.6 | 176.9 | -88.9 | 26.1 | -0.7 | 0 | 0 | 0 | 112.5 | |||||
| 229 | N | 28.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 41.2 | 92.1 | 152.3 | -63.1 | -6.7 | 0 | 0 | 0 | 118.4 | ||||
| 230 | I | 28.2 | Very low | 29.6 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | -102.8 | 121.4 | 144.9 | -58.7 | 174 | 0 | 0 | 0 | 105.6 | F232 | I230-F232 PolarHBondContact O-N 3.41Å; I230-F232 VanDerWaalsContact O-N 3.12Å | ||
| 231 | P | 31.5 | Very low | 29 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -67.4 | 112.7 | 173.2 | 28 | -29.5 | 0 | 0 | 0 | 107.5 | I233 | P231-I233 PolarHBondContact O-N 3.42Š| ||
| 232 | F | 26.5 | Very low | 29.1 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 116.5 | 159 | -77.4 | -92.6 | 0 | 0 | 0 | 106.2 | I230 | I230-F232 PolarHBondContact O-N 3.41Å; I230-F232 VanDerWaalsContact O-N 3.12Å |
| 233 | I | 29.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 116.9 | 166.8 | -67.8 | 172.5 | 0 | 0 | 0 | 105.6 | P231 | P231-I233 PolarHBondContact O-N 3.42Š|
| 234 | D | 29.7 | Very low | 29.4 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 150.5 | 173.3 | -75.7 | -47.1 | 0 | 0 | 0 | 112.1 | D236 | D234-D236 PolarHBondContact O-N 3.4Š|
| 235 | E | 34.1 | Very low | 29.7 | Very low | 198 Ų | 198 | 150.7 Ų | 150.7 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -64.1 | 12.7 | -172.2 | -69.6 | 179.3 | 143.9 | 0 | 0 | 116.1 | ||
| 236 | D | 35.7 | Very low | 29.7 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -138.3 | 46.1 | -171 | -80.8 | -36.7 | 0 | 0 | 0 | 115 | D234 | D234-D236 PolarHBondContact O-N 3.4Š|
| 237 | S | 26.7 | Very low | 30 | Very low | 71 Ų | 71 | 154.1 Ų | 154.1 | 50% | 0.497 | 79% | 0.794 | S | S | . | * | trans | -159.4 | 125.9 | 164.2 | 56.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 238 | I | 30 | Very low | 30 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -148.7 | 93.9 | 142.8 | -56.6 | -176.8 | 0 | 0 | 0 | 104.1 | ||||
| 239 | I | 26.8 | Very low | 29.6 | Very low | 133 Ų | 133 | 156.4 Ų | 156.4 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | 38.9 | 96.4 | 72.6 | -50 | -178.8 | 0 | 0 | 0 | 113 | |||||
| 240 | F | 31.4 | Very low | 29.7 | Very low | 202 Ų | 202 | 156.5 Ų | 156.5 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | trans | -72.6 | 132.4 | 160.9 | -69.1 | -92.1 | 0 | 0 | 0 | 108.9 | ||||
| 241 | D | 24.3 | Very low | 29.8 | Very low | 150 Ų | 150 | 157.4 Ų | 157.4 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -139.3 | 141.5 | 157.9 | -135.1 | -14.1 | 0 | 0 | 0 | 109.7 | ||||
| 242 | I | 31.7 | Very low | 29.7 | Very low | 231 Ų | 231 | 162 Ų | 162 | 100% | 1.185 | 82% | 0.817 | S | S | * | * | trans | -68.5 | 0 | -147.9 | -61.8 | 165.8 | 0 | 0 | 0 | 114.5 |
Retrieved 242 of 242 residues in 131.4 ms
(Link to these results)