| 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 | 60.7 | Low | 47.4 | Very low | 234 Ų | 234 | 153.8 Ų | 153.8 | 100% | 1.153 | 83% | 0.832 | S | S | * | * | 0 | 105.1 | 0 | -116.4 | 66.7 | 176.3 | 0 | 0 | 110.3 | R3 | M1-R3 PolarHBondContact O-N 3.44Å; M1-R3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | R | 60.2 | Low | 46.7 | Very low | 253 Ų | 253 | 155.4 Ų | 155.4 | 96% | 0.955 | 84% | 0.84 | S | S | * | * | trans | -74.2 | 103.3 | 171.4 | -65.9 | -174.4 | -177.4 | -170.5 | 1.1 | 108.1 | R4 | R2-R4 PolarHBondContact O-N 3.35Š| ||
| 3 | R | 56.4 | Low | 46.1 | Very low | 241 Ų | 241 | 148.7 Ų | 148.7 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -60 | 119.9 | 171.3 | -62.9 | -172.3 | -171.2 | -162.5 | 3.1 | 106.9 | M1 G5 | M1-R3 PolarHBondContact O-N 3.44Å; M1-R3 VanDerWaalsContact O-N 3.16Å; R3-G5 VanDerWaalsContact C-N 3.33Å; R3-G5 PolarHBondContact O-N 3.04Å | ||
| 4 | R | 54.4 | Low | 46 | Very low | 243 Ų | 243 | 147.9 Ų | 147.9 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -62.4 | 100.7 | 170.6 | -76.8 | -178.1 | -177.3 | 174 | 1.5 | 106.6 | R2 V6 | R2-R4 PolarHBondContact O-N 3.35Å; R4-V6 PolarHBondContact O-N 2.93Å | ||
| 5 | G | 38 | Very low | 46.4 | Very low | 73 Ų | 73 | 148.1 Ų | 148.1 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | -57.2 | 109 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | R3 A7 | R3-G5 VanDerWaalsContact C-N 3.33Å; R3-G5 PolarHBondContact O-N 3.04Å; G5-A7 VanDerWaalsContact C-N 3.29Å; G5-A7 PolarHBondContact O-N 3.16Å | ||
| 6 | V | 46.2 | Very low | 47.5 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -66.8 | 99 | 162.9 | 178.9 | 0 | 0 | 0 | 0 | 104 | R4 A8 | R4-V6 PolarHBondContact O-N 2.93Å; V6-A8 PolarHBondContact O-N 2.93Å | ||
| 7 | A | 40.5 | Very low | 48.8 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -55.2 | 110.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | G5 A9 | G5-A7 VanDerWaalsContact C-N 3.29Å; G5-A7 PolarHBondContact O-N 3.16Å; A7-A9 PolarHBondContact O-N 3.19Å | ||
| 8 | A | 36 | Very low | 50.9 | Low | 88 Ų | 88 | 146.2 Ų | 146.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -53.3 | 118 | -174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V6 E10 | V6-A8 PolarHBondContact O-N 2.93Å; A8-E10 PolarHBondContact O-N 2.89Å | ||
| 9 | A | 42.5 | Very low | 53 | Low | 75 Ų | 75 | 140.5 Ų | 140.5 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | trans | -60.9 | 119.8 | 150 | 0 | 0 | 0 | 0 | 0 | 105.3 | A7 A11 | A7-A9 PolarHBondContact O-N 3.19Å; A9-A11 PolarHBondContact O-N 2.79Å | ||
| 10 | E | 45.1 | Very low | 54.9 | Low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | -60.9 | 97.6 | 166.9 | -63.4 | -146.6 | 144.5 | 0 | 0 | 107.6 | A8 R18 | A8-E10 PolarHBondContact O-N 2.89Å; E10-R18 PolarHBondContact O-NH1 2.92Å | ||
| 11 | A | 41.1 | Very low | 56.7 | Low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | trans | -93.9 | 94.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 104.6 | A9 | A9-A11 PolarHBondContact O-N 2.79Š| ||
| 12 | D | 39.9 | Very low | 58.2 | Low | 173 Ų | 173 | 121 Ų | 121 | 93% | 0.925 | 66% | 0.662 | S | S | * | * | trans | -165.3 | 111.6 | 151.4 | -136 | -93.3 | 0 | 0 | 0 | 108.9 | ||||
| 13 | G | 37.9 | Very low | 59.8 | Low | 68 Ų | 68 | 113.8 Ų | 113.8 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 133.3 | 76.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 14 | D | 45.1 | Very low | 61.5 | Low | 137 Ų | 137 | 107.8 Ų | 107.8 | 73% | 0.733 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 72.8 | 141.2 | 176 | -149.8 | 26.5 | 0 | 0 | 0 | 114.9 | E16 | D14-E16 PolarHBondContact O-N 3Š|
| 15 | V | 52.4 | Low | 63.3 | Low | 152 Ų | 152 | 103.7 Ų | 103.7 | 92% | 0.921 | 60% | 0.6 | S | S | * | * | trans | -75.8 | 47.9 | -175 | -167.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 16 | E | 63.6 | Low | 65.7 | Low | 117 Ų | 117 | 106.1 Ų | 106.1 | 55% | 0.547 | 60% | 0.602 | S | S | . | * | trans | -89.4 | 118.8 | -174 | -143 | 160.4 | -151.2 | 0 | 0 | 108.4 | D14 R18 K24 | D14-E16 PolarHBondContact O-N 3Å; E16-R18 PolarHBondContact O-N 2.92Å; E16-K24 IonicContact OE1-NZ 2.79Å; E16-K24 IonicContact OE2-NZ 2.78Å; E16-K24 PolarHBondContact OE2-NZ 2.95Å | ||
| 17 | L | 70.5 | Confident | 67.7 | Low | 145 Ų | 145 | 109.7 Ų | 109.7 | 76% | 0.759 | 60% | 0.601 | S | S | * | * | trans | -45 | 88.1 | -172.1 | -66.1 | 155.1 | 0 | 0 | 0 | 113 | F19 | L17-F19 PolarHBondContact O-N 3.02Š| ||
| 18 | R | 85.2 | Confident | 70.1 | Confident | 148 Ų | 148 | 107.2 Ų | 107.2 | 56% | 0.558 | 58% | 0.584 | S | S | * | * | trans | -85.4 | 109.6 | -178.6 | -171.4 | 174.6 | -178.6 | 175.8 | 3.2 | 110.4 | E10 E16 | E10-R18 PolarHBondContact O-NH1 2.92Å; E16-R18 PolarHBondContact O-N 2.92Å | ||
| 19 | F | 91.5 | Very high | 72.8 | Confident | 37 Ų | 37 | 107.6 Ų | 107.6 | 16% | 0.162 | 57% | 0.566 | C | S | . | * | trans | -77.4 | 147.3 | 174.2 | -58.7 | -77.5 | 0 | 0 | 0 | 112.3 | L17 G21 V22 A51 E52 A55 N73 F74 | L17-F19 PolarHBondContact O-N 3.02Å; F19-G21 PolarHBondContact O-N 3.12Å; F19-V22 HydrophobicContact CB-CB 4.25Å; F19-V22 HydrophobicContact CB-CG2 3.88Å; F19-V22 PolarHBondContact O-N 3.38Å; F19-A51 HydrophobicContact CD2-CB 3.75Å; F19-A51 HydrophobicContact CE2-CB 3.75Å; F19-E52 HydrophobicContact CE2-CG 4.19Å; F19-E52 HydrophobicContact CZ-CG 4.09Å; F19-A55 HydrophobicContact CB-CB 3.45Å; F19-A55 VanDerWaalsContact CB-CB 3.45Å; F19-A55 HydrophobicContact CD1-CB 3.92Å; F19-A55 HydrophobicContact CD2-CB 4.08Å; F19-A55 HydrophobicContact CG-CB 3.55Å; F19-N73 HydrophobicContact CD1-CB 4.18Å; F19-F74 HydrophobicContact CD1-CZ 4.2Å; F19-F74 AromaticContact CE1-CE1 3.96Å; F19-F74 HydrophobicContact CE1-CE1 3.96Å; F19-F74 AromaticContact CE1-CZ 3.86Å; F19-F74 HydrophobicContact CE1-CZ 3.86Å; F19-F74 HydrophobicContact CZ-CZ 4.31Å | ||
| 20 | R | 91.7 | Very high | 75.3 | Confident | 69 Ų | 69 | 106.4 Ų | 106.4 | 26% | 0.26 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 134.8 | 175.9 | 179.1 | 179.2 | 158 | -150.3 | -13.9 | 110.3 | V22 Y58 R71 N73 | R20-V22 PolarHBondContact O-N 3.15Å; R20-Y58 HydrophobicContact CB-CE1 4.39Å; R20-Y58 HydrophobicContact CG-CE1 3.75Å; R20-Y58 PolarHBondContact NE-OH 2.97Å; R20-Y58 PolarHBondContact NH2-OH 3.24Å; R20-Y58 WeakPolarHBondContact O-CD1 3.16Å; R20-R71 VanDerWaalsContact NH1-CB 3.34Å; R20-R71 PolarHBondContact NH1-O 3.27Å; R20-N73 VanDerWaalsContact CB-OD1 3.23Å; R20-N73 WeakPolarHBondContact CB-OD1 3.38Å; R20-N73 PolarHBondContact N-OD1 2.96Å; R20-N73 PolarHBondContact O-ND2 2.78Å |
| 21 | G | 91.5 | Very high | 77.6 | Confident | 26 Ų | 26 | 98.9 Ų | 98.9 | 27% | 0.268 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -2.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F19 A32 E33 | F19-G21 PolarHBondContact O-N 3.12Å; G21-A32 WeakPolarHBondContact O-CA 3.48Å; G21-E33 PolarHBondContact O-N 2.88Å |
| 22 | V | 93.5 | Very high | 80.2 | Confident | 10 Ų | 10 | 94.6 Ų | 94.6 | 6% | 0.061 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133 | -179.3 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | F19 R20 Y30 A31 A54 A55 | F19-V22 HydrophobicContact CB-CB 4.25Å; F19-V22 HydrophobicContact CB-CG2 3.88Å; F19-V22 PolarHBondContact O-N 3.38Å; R20-V22 PolarHBondContact O-N 3.15Å; V22-Y30 HydrophobicContact CG1-CD1 3.82Å; V22-Y30 HydrophobicContact CG1-CG 4.24Å; V22-A31 WeakPolarHBondContact CA-O 3.48Å; V22-A54 HydrophobicContact CB-CB 4.38Å; V22-A54 HydrophobicContact CG1-CB 3.78Å; V22-A54 HydrophobicContact CG2-CB 3.67Å; V22-A55 HydrophobicContact CG2-CB 4Å |
| 23 | R | 93 | Very high | 82.8 | Confident | 103 Ų | 103 | 89.5 Ų | 89.5 | 39% | 0.389 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.1 | 172 | 62.2 | -178.7 | 176.7 | 78.7 | -0.4 | 110.8 | Y30 A31 E33 | R23-Y30 WeakPolarHBondContact O-CA 3.34Å; R23-A31 HydrophobicContact CG-CB 3.86Å; R23-A31 PolarHBondContact N-O 3.44Å; R23-A31 PolarHBondContact O-N 3.12Å; R23-E33 IonicContact NE-OE2 3.41Å; R23-E33 PolarHBondContact NE-OE2 2.87Å; R23-E33 IonicContact NH2-OE2 3.51Å |
| 24 | K | 92.1 | Very high | 85.4 | Confident | 115 Ų | 115 | 86.6 Ų | 86.6 | 50% | 0.5 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 126.8 | 176.1 | -165 | 176.7 | -173.4 | -178.4 | 0 | 108.9 | E16 Y30 | E16-K24 IonicContact OE1-NZ 2.79Å; E16-K24 IonicContact OE2-NZ 2.78Å; E16-K24 PolarHBondContact OE2-NZ 2.95Å; K24-Y30 HydrophobicContact CB-CD1 4.36Å; K24-Y30 HydrophobicContact CB-CE1 4.17Å; K24-Y30 HydrophobicContact CD-CE1 4.2Å; K24-Y30 HydrophobicContact CG-CD1 4.45Å; K24-Y30 HydrophobicContact CG-CE1 3.93Å |
| 25 | R | 91.4 | Very high | 87.6 | Confident | 157 Ų | 157 | 88.1 Ų | 88.1 | 59% | 0.592 | 41% | 0.411 | S | S | * | . | trans | -88.8 | 151.3 | 170.8 | -165 | 72.7 | -142.5 | -108 | 6 | 108.4 | W27 G28 R29 | R25-W27 HydrophobicContact CB-CB 4.43Å; R25-W27 HydrophobicContact CG-CB 4.2Å; R25-W27 PolarHBondContact O-N 3.33Å; R25-G28 PolarHBondContact O-N 3.21Å; R25-R29 PolarHBondContact N-O 3.44Å | ||
| 26 | P | 89.7 | Confident | 89.2 | Confident | 123 Ų | 123 | 81.9 Ų | 81.9 | 80% | 0.799 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -15.2 | 169 | 21 | -36.2 | 0 | 0 | 0 | 114.4 | G28 | P26-G28 PolarHBondContact O-N 2.8Š|
| 27 | W | 88.2 | Confident | 90.3 | Very high | 215 Ų | 215 | 80.5 Ų | 80.5 | 81% | 0.814 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.4 | 170.5 | -172.2 | -106 | 0 | 0 | 0 | 113.8 | R25 | R25-W27 HydrophobicContact CB-CB 4.43Å; R25-W27 HydrophobicContact CG-CB 4.2Å; R25-W27 PolarHBondContact O-N 3.33Å |
| 28 | G | 89.5 | Confident | 91 | Very high | 40 Ų | 40 | 78 Ų | 78 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 91.4 | -11.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | R25 P26 | R25-G28 PolarHBondContact O-N 3.21Å; P26-G28 PolarHBondContact O-N 2.8Å |
| 29 | R | 93.2 | Very high | 91 | Very high | 96 Ų | 96 | 77.8 Ų | 77.8 | 36% | 0.362 | 38% | 0.377 | S | S | . | . | trans | -82.5 | 153.1 | 176.3 | -64.3 | -172.6 | 89.3 | -171.7 | 6.3 | 112.8 | R25 D49 | R25-R29 PolarHBondContact N-O 3.44Å; R29-D49 IonicContact CZ-OD1 2.75Å; R29-D49 IonicContact NE-OD1 3.78Å; R29-D49 PolarHBondContact NE-OD1 3.34Å; R29-D49 IonicContact NH2-OD1 3.2Å; R29-D49 PolarHBondContact NH2-OD1 3.33Å; R29-D49 IonicContact NH2-OD2 2.78Å | ||
| 30 | Y | 94.3 | Very high | 90.8 | Very high | 50 Ų | 50 | 85.3 Ų | 85.3 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.3 | 178.4 | -61 | -83.4 | 0 | 0 | 0 | 109.9 | V22 R23 K24 T47 F48 D49 S50 A51 | V22-Y30 HydrophobicContact CG1-CD1 3.82Å; V22-Y30 HydrophobicContact CG1-CG 4.24Å; R23-Y30 WeakPolarHBondContact O-CA 3.34Å; K24-Y30 HydrophobicContact CB-CD1 4.36Å; K24-Y30 HydrophobicContact CB-CE1 4.17Å; K24-Y30 HydrophobicContact CD-CE1 4.2Å; K24-Y30 HydrophobicContact CG-CD1 4.45Å; K24-Y30 HydrophobicContact CG-CE1 3.93Å; Y30-T47 CarbonylContact O-C 3.45Å; Y30-T47 VanDerWaalsContact O-CA 3.24Å; Y30-T47 WeakPolarHBondContact O-CA 3.33Å; Y30-F48 PolarHBondContact N-O 2.87Å; Y30-F48 PolarHBondContact O-N 2.77Å; Y30-D49 WeakPolarHBondContact CD2-O 3.27Å; Y30-D49 WeakPolarHBondContact CE2-O 3.49Å; Y30-S50 VanDerWaalsContact CD2-C 3.42Å; Y30-A51 HydrophobicContact CD1-CB 3.79Å; Y30-A51 HydrophobicContact CD2-CB 4.35Å; Y30-A51 HydrophobicContact CE1-CB 3.62Å; Y30-A51 HydrophobicContact CE2-CB 4.2Å; Y30-A51 HydrophobicContact CG-CB 4.15Å |
| 31 | A | 94 | Very high | 90.7 | Very high | 5 Ų | 5 | 84.3 Ų | 84.3 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110 | V22 R23 T47 | V22-A31 WeakPolarHBondContact CA-O 3.48Å; R23-A31 HydrophobicContact CG-CB 3.86Å; R23-A31 PolarHBondContact N-O 3.44Å; R23-A31 PolarHBondContact O-N 3.12Å; A31-T47 HydrophobicContact CB-CG2 4.07Å |
| 32 | A | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 92.2 Ų | 92.2 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | G21 L45 G46 F48 A54 | G21-A32 WeakPolarHBondContact O-CA 3.48Å; A32-L45 HydrophobicContact CB-CB 4.2Å; A32-L45 HydrophobicContact CB-CD1 4.33Å; A32-L45 WeakPolarHBondContact O-CB 3.46Å; A32-L45 PolarHBondContact O-N 2.85Å; A32-G46 PolarHBondContact N-O 2.63Å; A32-G46 PolarHBondContact O-N 2.71Å; A32-F48 HydrophobicContact CB-CD2 4.24Å; A32-F48 HydrophobicContact CB-CE2 3.86Å; A32-A54 HydrophobicContact CB-CB 4.18Å; A32-A54 WeakPolarHBondContact CB-O 3.2Å |
| 33 | E | 94.1 | Very high | 90.7 | Very high | 66 Ų | 66 | 95.3 Ų | 95.3 | 31% | 0.308 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 151.5 | 176.4 | 61.5 | -172.7 | -124.9 | 0 | 0 | 110.5 | G21 R23 V43 Y58 | G21-E33 PolarHBondContact O-N 2.88Å; R23-E33 IonicContact NE-OE2 3.41Å; R23-E33 PolarHBondContact NE-OE2 2.87Å; R23-E33 IonicContact NH2-OE2 3.51Å; E33-V43 CarbonylContact C-O 3.46Å; E33-V43 VanDerWaalsContact CA-O 3.29Å; E33-V43 WeakPolarHBondContact CA-O 3.36Å; E33-V43 WeakPolarHBondContact CB-O 3.23Å; E33-Y58 VanDerWaalsContact O-CD2 3.29Å; E33-Y58 WeakPolarHBondContact O-CD2 3.44Å; E33-Y58 WeakPolarHBondContact O-CE2 3.42Å |
| 34 | I | 93 | Very high | 90.7 | Very high | 8 Ų | 8 | 98.6 Ų | 98.6 | 4% | 0.041 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.4 | 179 | -171.3 | 150.3 | 0 | 0 | 0 | 111.8 | V43 L45 Y58 A61 A62 L65 | I34-V43 HydrophobicContact CG2-CB 3.81Å; I34-V43 PolarHBondContact N-O 2.91Å; I34-V43 PolarHBondContact O-N 2.98Å; I34-L45 HydrophobicContact CB-CD1 4.35Å; I34-L45 HydrophobicContact CG2-CD1 4.43Å; I34-L45 HydrophobicContact CG2-CD2 3.98Å; I34-L45 HydrophobicContact CG2-CG 4.35Å; I34-Y58 HydrophobicContact CB-CD2 4.35Å; I34-Y58 HydrophobicContact CB-CE2 3.99Å; I34-Y58 HydrophobicContact CD1-CE2 4.2Å; I34-Y58 HydrophobicContact CG1-CE2 4.05Å; I34-A61 HydrophobicContact CD1-CB 4.15Å; I34-A61 HydrophobicContact CG2-CB 4.36Å; I34-A62 HydrophobicContact CD1-CB 3.93Å; I34-L65 HydrophobicContact CB-CD1 4.35Å; I34-L65 HydrophobicContact CD1-CD1 3.59Å; I34-L65 HydrophobicContact CG1-CD1 3.77Å; I34-L65 HydrophobicContact CG2-CD1 3.65Å |
| 35 | R | 92.6 | Very high | 90.8 | Very high | 168 Ų | 168 | 95.7 Ų | 95.7 | 63% | 0.634 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.9 | 178.8 | -179.7 | 177.7 | -178.1 | -106.5 | 0.5 | 109.9 | ||
| 36 | D | 86.2 | Confident | 91 | Very high | 21 Ų | 21 | 88.8 Ų | 88.8 | 11% | 0.112 | 44% | 0.436 | C | S | . | . | trans | -105.6 | 126.6 | 172 | -73.1 | -32.2 | 0 | 0 | 0 | 111.2 | A38 K39 K40 L65 | D36-A38 PolarHBondContact O-N 2.9Å; D36-K39 HydrophobicContact CB-CB 4.11Å; D36-K39 HydrophobicContact CB-CG 4.39Å; D36-K40 PolarHBondContact O-N 3.41Å; D36-K40 VanDerWaalsContact O-N 3.12Å; D36-L65 WeakPolarHBondContact OD2-CD1 3.47Å; D36-L65 WeakPolarHBondContact OD2-CD2 3.29Å | ||
| 37 | P | 86 | Confident | 91.2 | Very high | 88 Ų | 88 | 85.8 Ų | 85.8 | 57% | 0.571 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.1 | 175.2 | 28 | -33.6 | 0 | 0 | 0 | 112.1 | ||
| 38 | A | 85.8 | Confident | 91.6 | Very high | 93 Ų | 93 | 77.6 Ų | 77.6 | 77% | 0.769 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -48.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D36 | D36-A38 PolarHBondContact O-N 2.9Š|
| 39 | K | 84.2 | Confident | 91.8 | Very high | 144 Ų | 144 | 81.4 Ų | 81.4 | 63% | 0.626 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.8 | -176.8 | -61.5 | -177.5 | 177 | 177.9 | 0 | 113.6 | D36 A41 | D36-K39 HydrophobicContact CB-CB 4.11Å; D36-K39 HydrophobicContact CB-CG 4.39Å; K39-A41 HydrophobicContact CB-CB 4.35Å; K39-A41 PolarHBondContact O-N 3.35Å |
| 40 | K | 87.9 | Confident | 91.8 | Very high | 195 Ų | 195 | 78.8 Ų | 78.8 | 85% | 0.848 | 39% | 0.393 | S | S | * | . | trans | 49.7 | 16.5 | -173.5 | -63 | 177.8 | -177.5 | 174.3 | 0 | 114.4 | D36 | D36-K40 PolarHBondContact O-N 3.41Å; D36-K40 VanDerWaalsContact O-N 3.12Å | ||
| 41 | A | 88.7 | Confident | 91.8 | Very high | 47 Ų | 47 | 76.9 Ų | 76.9 | 39% | 0.388 | 39% | 0.388 | S | S | . | . | trans | -104.3 | 153.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K39 | K39-A41 HydrophobicContact CB-CB 4.35Å; K39-A41 PolarHBondContact O-N 3.35Å | ||
| 42 | R | 92.6 | Very high | 91.8 | Very high | 193 Ų | 193 | 80.6 Ų | 80.6 | 73% | 0.728 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.1 | 170.1 | -58.6 | -176.4 | -169.9 | -168.3 | 3.7 | 107.6 | ||
| 43 | V | 92.7 | Very high | 91.8 | Very high | 74 Ų | 74 | 83.5 Ų | 83.5 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.7 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | E33 I34 L45 | E33-V43 CarbonylContact C-O 3.46Å; E33-V43 VanDerWaalsContact CA-O 3.29Å; E33-V43 WeakPolarHBondContact CA-O 3.36Å; E33-V43 WeakPolarHBondContact CB-O 3.23Å; I34-V43 HydrophobicContact CG2-CB 3.81Å; I34-V43 PolarHBondContact N-O 2.91Å; I34-V43 PolarHBondContact O-N 2.98Å; V43-L45 HydrophobicContact CG1-CD2 4.26Å |
| 44 | W | 92.6 | Very high | 91.8 | Very high | 173 Ų | 173 | 80.3 Ų | 80.3 | 66% | 0.655 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.7 | 173.2 | 176.1 | 50.4 | 0 | 0 | 0 | 108.9 | G46 T47 | W44-G46 VanDerWaalsContact NE1-C 3.35Å; W44-G46 PolarHBondContact NE1-O 3.5Å; W44-G46 VanDerWaalsContact NE1-O 3.1Å; W44-T47 HydrophobicContact CZ2-CG2 4.13Å |
| 45 | L | 94.5 | Very high | 91.9 | Very high | 53 Ų | 53 | 80 Ų | 80 | 28% | 0.277 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -31.4 | -176.8 | -57.5 | 176.4 | 0 | 0 | 0 | 111.6 | A32 I34 V43 Y58 A61 | A32-L45 HydrophobicContact CB-CB 4.2Å; A32-L45 HydrophobicContact CB-CD1 4.33Å; A32-L45 WeakPolarHBondContact O-CB 3.46Å; A32-L45 PolarHBondContact O-N 2.85Å; I34-L45 HydrophobicContact CB-CD1 4.35Å; I34-L45 HydrophobicContact CG2-CD1 4.43Å; I34-L45 HydrophobicContact CG2-CD2 3.98Å; I34-L45 HydrophobicContact CG2-CG 4.35Å; V43-L45 HydrophobicContact CG1-CD2 4.26Å; L45-Y58 HydrophobicContact CD1-CD2 4.27Å; L45-A61 HydrophobicContact CD1-CB 3.66Å; L45-A61 HydrophobicContact CD2-CB 3.56Å; L45-A61 HydrophobicContact CG-CB 4.28Å |
| 46 | G | 95.3 | Very high | 92 | Very high | 12 Ų | 12 | 78.4 Ų | 78.4 | 12% | 0.124 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.3 | -170.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A32 W44 | A32-G46 PolarHBondContact N-O 2.63Å; A32-G46 PolarHBondContact O-N 2.71Å; W44-G46 VanDerWaalsContact NE1-C 3.35Å; W44-G46 PolarHBondContact NE1-O 3.5Å; W44-G46 VanDerWaalsContact NE1-O 3.1Å |
| 47 | T | 95.5 | Very high | 92.4 | Very high | 61 Ų | 61 | 78.6 Ų | 78.6 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.9 | 170.4 | 54.1 | 0 | 0 | 0 | 0 | 109.1 | Y30 A31 W44 | Y30-T47 CarbonylContact O-C 3.45Å; Y30-T47 VanDerWaalsContact O-CA 3.24Å; Y30-T47 WeakPolarHBondContact O-CA 3.33Å; A31-T47 HydrophobicContact CB-CG2 4.07Å; W44-T47 HydrophobicContact CZ2-CG2 4.13Å |
| 48 | F | 95.2 | Very high | 92.8 | Very high | 43 Ų | 43 | 75 Ų | 75 | 19% | 0.189 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 157.5 | -173.8 | -53.7 | -89.5 | 0 | 0 | 0 | 109.7 | Y30 A32 D53 A54 A57 | Y30-F48 PolarHBondContact N-O 2.87Å; Y30-F48 PolarHBondContact O-N 2.77Å; A32-F48 HydrophobicContact CB-CD2 4.24Å; A32-F48 HydrophobicContact CB-CE2 3.86Å; F48-D53 HydrophobicContact CB-CB 4.36Å; F48-D53 HydrophobicContact CD1-CB 4.42Å; F48-D53 WeakPolarHBondContact CD1-OD2 3.23Å; F48-A54 HydrophobicContact CB-CB 4.01Å; F48-A54 HydrophobicContact CD2-CB 3.59Å; F48-A54 HydrophobicContact CE2-CB 4.45Å; F48-A54 HydrophobicContact CG-CB 4.06Å; F48-A57 HydrophobicContact CE1-CB 4.05Å; F48-A57 HydrophobicContact CE2-CB 3.71Å; F48-A57 HydrophobicContact CZ-CB 3.32Å |
| 49 | D | 93.6 | Very high | 93.2 | Very high | 120 Ų | 120 | 70.8 Ų | 70.8 | 64% | 0.642 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -86.6 | -21.2 | -178.4 | -56.8 | -36 | 0 | 0 | 0 | 111.9 | R29 Y30 | R29-D49 IonicContact CZ-OD1 2.75Å; R29-D49 IonicContact NE-OD1 3.78Å; R29-D49 PolarHBondContact NE-OD1 3.34Å; R29-D49 IonicContact NH2-OD1 3.2Å; R29-D49 PolarHBondContact NH2-OD1 3.33Å; R29-D49 IonicContact NH2-OD2 2.78Å; Y30-D49 WeakPolarHBondContact CD2-O 3.27Å; Y30-D49 WeakPolarHBondContact CE2-O 3.49Å |
| 50 | S | 94.4 | Very high | 93.7 | Very high | 41 Ų | 41 | 66.2 Ų | 66.2 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -115.1 | 147.1 | 175.8 | 141.6 | 0 | 0 | 0 | 0 | 111.5 | Y30 E52 D53 A54 | Y30-S50 VanDerWaalsContact CD2-C 3.42Å; S50-E52 VanDerWaalsContact C-N 3.34Å; S50-E52 PolarHBondContact OG-N 3.48Å; S50-E52 VanDerWaalsContact OG-N 3.17Å; S50-E52 PolarHBondContact OG-OE2 2.72Å; S50-D53 PolarHBondContact OG-N 3.24Å; S50-A54 PolarHBondContact O-N 3.23Å |
| 51 | A | 93.3 | Very high | 94 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.5 | -37 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F19 Y30 A55 | F19-A51 HydrophobicContact CD2-CB 3.75Å; F19-A51 HydrophobicContact CE2-CB 3.75Å; Y30-A51 HydrophobicContact CD1-CB 3.79Å; Y30-A51 HydrophobicContact CD2-CB 4.35Å; Y30-A51 HydrophobicContact CE1-CB 3.62Å; Y30-A51 HydrophobicContact CE2-CB 4.2Å; Y30-A51 HydrophobicContact CG-CB 4.15Å; A51-A55 VanDerWaalsContact O-CB 3.29Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 3.11Å |
| 52 | E | 94.1 | Very high | 94.2 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 178.2 | -59.8 | 71.6 | -158.5 | 0 | 0 | 111.2 | F19 S50 A55 R56 F74 | F19-E52 HydrophobicContact CE2-CG 4.19Å; F19-E52 HydrophobicContact CZ-CG 4.09Å; S50-E52 VanDerWaalsContact C-N 3.34Å; S50-E52 PolarHBondContact OG-N 3.48Å; S50-E52 VanDerWaalsContact OG-N 3.17Å; S50-E52 PolarHBondContact OG-OE2 2.72Å; E52-A55 WeakPolarHBondContact O-CB 3.21Å; E52-A55 PolarHBondContact O-N 2.79Å; E52-R56 WeakPolarHBondContact O-CG 3.26Å; E52-R56 PolarHBondContact O-N 3.17Å; E52-F74 HydrophobicContact CB-CZ 4.2Å; E52-F74 WeakPolarHBondContact O-CE2 3.24Å |
| 53 | D | 94.8 | Very high | 94.1 | Very high | 61 Ų | 61 | 49.8 Ų | 49.8 | 33% | 0.326 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 179.5 | -159.7 | 49.7 | 0 | 0 | 0 | 111.8 | F48 S50 A55 R56 A57 | F48-D53 HydrophobicContact CB-CB 4.36Å; F48-D53 HydrophobicContact CD1-CB 4.42Å; F48-D53 WeakPolarHBondContact CD1-OD2 3.23Å; S50-D53 PolarHBondContact OG-N 3.24Å; D53-A55 VanDerWaalsContact C-N 3.26Å; D53-A55 PolarHBondContact O-N 3.02Å; D53-R56 PolarHBondContact O-N 2.98Å; D53-R56 VanDerWaalsContact O-N 3.16Å; D53-R56 IonicContact OD1-CZ 3.93Å; D53-R56 IonicContact OD1-NE 3.41Å; D53-R56 PolarHBondContact OD1-NE 3.46Å; D53-R56 IonicContact OD1-NH2 3.92Å; D53-R56 PolarHBondContact OD1-NH2 3.39Å; D53-A57 PolarHBondContact O-N 3.06Å |
| 54 | A | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.4 | -41.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V22 A32 F48 S50 A57 Y58 | V22-A54 HydrophobicContact CB-CB 4.38Å; V22-A54 HydrophobicContact CG1-CB 3.78Å; V22-A54 HydrophobicContact CG2-CB 3.67Å; A32-A54 HydrophobicContact CB-CB 4.18Å; A32-A54 WeakPolarHBondContact CB-O 3.2Å; F48-A54 HydrophobicContact CB-CB 4.01Å; F48-A54 HydrophobicContact CD2-CB 3.59Å; F48-A54 HydrophobicContact CE2-CB 4.45Å; F48-A54 HydrophobicContact CG-CB 4.06Å; S50-A54 PolarHBondContact O-N 3.23Å; A54-A57 PolarHBondContact O-N 3.44Å; A54-Y58 PolarHBondContact O-N 2.74Å |
| 55 | A | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.3 | -35.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F19 V22 A51 E52 D53 Y58 D59 N73 F74 | F19-A55 HydrophobicContact CB-CB 3.45Å; F19-A55 VanDerWaalsContact CB-CB 3.45Å; F19-A55 HydrophobicContact CD1-CB 3.92Å; F19-A55 HydrophobicContact CD2-CB 4.08Å; F19-A55 HydrophobicContact CG-CB 3.55Å; V22-A55 HydrophobicContact CG2-CB 4Å; A51-A55 VanDerWaalsContact O-CB 3.29Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 3.11Å; E52-A55 WeakPolarHBondContact O-CB 3.21Å; E52-A55 PolarHBondContact O-N 2.79Å; D53-A55 VanDerWaalsContact C-N 3.26Å; D53-A55 PolarHBondContact O-N 3.02Å; A55-Y58 WeakPolarHBondContact O-CB 3.05Å; A55-Y58 PolarHBondContact O-N 2.78Å; A55-D59 VanDerWaalsContact O-CG 3.26Å; A55-D59 PolarHBondContact O-N 3.27Å; A55-N73 HydrophobicContact CB-CB 4.33Å; A55-F74 HydrophobicContact CB-CE2 3.46Å; A55-F74 VanDerWaalsContact CB-CE2 3.46Å; A55-F74 HydrophobicContact CB-CZ 3.86Å |
| 56 | R | 94.7 | Very high | 93.6 | Very high | 135 Ų | 135 | 53 Ų | 53 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 174.1 | -75.2 | -170.5 | -63.7 | -119.3 | 3.1 | 111.5 | E52 D53 Y58 D59 A60 F74 | E52-R56 WeakPolarHBondContact O-CG 3.26Å; E52-R56 PolarHBondContact O-N 3.17Å; D53-R56 PolarHBondContact O-N 2.98Å; D53-R56 VanDerWaalsContact O-N 3.16Å; D53-R56 IonicContact OD1-CZ 3.93Å; D53-R56 IonicContact OD1-NE 3.41Å; D53-R56 PolarHBondContact OD1-NE 3.46Å; D53-R56 IonicContact OD1-NH2 3.92Å; D53-R56 PolarHBondContact OD1-NH2 3.39Å; R56-Y58 VanDerWaalsContact C-N 3.29Å; R56-Y58 PolarHBondContact O-N 3.24Å; R56-D59 PolarHBondContact O-N 3.07Å; R56-A60 PolarHBondContact O-N 3.27Å; R56-F74 HydrophobicContact CB-CE2 4.42Å; R56-F74 HydrophobicContact CG-CD2 3.73Å; R56-F74 HydrophobicContact CG-CE2 3.58Å; R56-F74 HydrophobicContact CG-CZ 4.47Å |
| 57 | A | 94.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F48 D53 A54 A60 A61 | F48-A57 HydrophobicContact CE1-CB 4.05Å; F48-A57 HydrophobicContact CE2-CB 3.71Å; F48-A57 HydrophobicContact CZ-CB 3.32Å; D53-A57 PolarHBondContact O-N 3.06Å; A54-A57 PolarHBondContact O-N 3.44Å; A57-A60 PolarHBondContact O-N 2.99Å; A57-A61 PolarHBondContact O-N 3.41Å; A57-A61 VanDerWaalsContact O-N 3.1Å |
| 58 | Y | 95.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 172.9 | -175.1 | -93.5 | 0 | 0 | 0 | 112.6 | R20 E33 I34 L45 A54 A55 R56 A61 A62 | R20-Y58 HydrophobicContact CB-CE1 4.39Å; R20-Y58 HydrophobicContact CG-CE1 3.75Å; R20-Y58 PolarHBondContact NE-OH 2.97Å; R20-Y58 PolarHBondContact NH2-OH 3.24Å; R20-Y58 WeakPolarHBondContact O-CD1 3.16Å; E33-Y58 VanDerWaalsContact O-CD2 3.29Å; E33-Y58 WeakPolarHBondContact O-CD2 3.44Å; E33-Y58 WeakPolarHBondContact O-CE2 3.42Å; I34-Y58 HydrophobicContact CB-CD2 4.35Å; I34-Y58 HydrophobicContact CB-CE2 3.99Å; I34-Y58 HydrophobicContact CD1-CE2 4.2Å; I34-Y58 HydrophobicContact CG1-CE2 4.05Å; L45-Y58 HydrophobicContact CD1-CD2 4.27Å; A54-Y58 PolarHBondContact O-N 2.74Å; A55-Y58 WeakPolarHBondContact O-CB 3.05Å; A55-Y58 PolarHBondContact O-N 2.78Å; R56-Y58 VanDerWaalsContact C-N 3.29Å; R56-Y58 PolarHBondContact O-N 3.24Å; Y58-A61 PolarHBondContact O-N 3.36Å; Y58-A62 HydrophobicContact CE1-CB 4.34Å; Y58-A62 VanDerWaalsContact O-CB 3.28Å; Y58-A62 WeakPolarHBondContact O-CB 3.29Å; Y58-A62 PolarHBondContact O-N 2.82Å |
| 59 | D | 94.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -40.2 | -179.5 | -73.1 | -9.6 | 0 | 0 | 0 | 112.6 | A55 R56 A62 R63 T72 N73 F74 | A55-D59 VanDerWaalsContact O-CG 3.26Å; A55-D59 PolarHBondContact O-N 3.27Å; R56-D59 PolarHBondContact O-N 3.07Å; D59-A62 PolarHBondContact O-N 3.36Å; D59-R63 VanDerWaalsContact O-CG 3.26Å; D59-R63 WeakPolarHBondContact O-CG 3.41Å; D59-R63 PolarHBondContact O-N 2.93Å; D59-T72 HydrophobicContact CB-CG2 3.8Å; D59-T72 VanDerWaalsContact OD1-CA 3.23Å; D59-T72 WeakPolarHBondContact OD1-CA 3.24Å; D59-T72 VanDerWaalsContact OD1-CB 3.27Å; D59-T72 WeakPolarHBondContact OD1-CB 3.29Å; D59-T72 WeakPolarHBondContact OD2-CB 3.49Å; D59-N73 VanDerWaalsContact CG-N 3.27Å; D59-N73 PolarHBondContact OD1-N 2.98Å; D59-N73 PolarHBondContact OD1-ND2 3.46Å; D59-N73 VanDerWaalsContact OD1-ND2 3.17Å; D59-N73 PolarHBondContact OD2-N 2.84Å; D59-F74 VanDerWaalsContact OD2-CD2 3.24Å; D59-F74 WeakPolarHBondContact OD2-CD2 3.44Å; D59-F74 PolarHBondContact OD2-N 2.89Å |
| 60 | A | 93.8 | Very high | 92 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59 | -51 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R56 A57 A62 R63 M64 | R56-A60 PolarHBondContact O-N 3.27Å; A57-A60 PolarHBondContact O-N 2.99Å; A60-A62 VanDerWaalsContact C-N 3.34Å; A60-A62 PolarHBondContact O-N 2.95Å; A60-R63 PolarHBondContact O-N 3.28Å; A60-M64 WeakPolarHBondContact O-CG 3.28Å; A60-M64 PolarHBondContact O-N 3.1Å |
| 61 | A | 93.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I34 L45 A57 Y58 R63 M64 L65 | I34-A61 HydrophobicContact CD1-CB 4.15Å; I34-A61 HydrophobicContact CG2-CB 4.36Å; L45-A61 HydrophobicContact CD1-CB 3.66Å; L45-A61 HydrophobicContact CD2-CB 3.56Å; L45-A61 HydrophobicContact CG-CB 4.28Å; A57-A61 PolarHBondContact O-N 3.41Å; A57-A61 VanDerWaalsContact O-N 3.1Å; Y58-A61 PolarHBondContact O-N 3.36Å; A61-R63 VanDerWaalsContact C-N 3.33Å; A61-R63 PolarHBondContact O-N 3.04Å; A61-M64 PolarHBondContact O-N 3.38Å; A61-L65 WeakPolarHBondContact O-CB 3.38Å; A61-L65 WeakPolarHBondContact O-CG 3.17Å; A61-L65 PolarHBondContact O-N 3.41Å |
| 62 | A | 93 | Very high | 91.7 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | I34 Y58 D59 A60 L65 R66 A70 T72 | I34-A62 HydrophobicContact CD1-CB 3.93Å; Y58-A62 HydrophobicContact CE1-CB 4.34Å; Y58-A62 VanDerWaalsContact O-CB 3.28Å; Y58-A62 WeakPolarHBondContact O-CB 3.29Å; Y58-A62 PolarHBondContact O-N 2.82Å; D59-A62 PolarHBondContact O-N 3.36Å; A60-A62 VanDerWaalsContact C-N 3.34Å; A60-A62 PolarHBondContact O-N 2.95Å; A62-L65 PolarHBondContact O-N 2.99Å; A62-R66 WeakPolarHBondContact O-CB 3.36Å; A62-R66 PolarHBondContact O-N 2.94Å; A62-A70 VanDerWaalsContact C-CB 3.48Å; A62-A70 HydrophobicContact CB-CB 4.11Å; A62-A70 WeakPolarHBondContact O-CB 3.43Å; A62-T72 HydrophobicContact CB-CG2 4.49Å |
| 63 | R | 91.9 | Very high | 91.6 | Very high | 75 Ų | 75 | 65 Ų | 65 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 174.2 | -69.7 | 168.8 | -164.1 | 173.7 | 4 | 111.6 | D59 A60 A61 G67 A70 T72 | D59-R63 VanDerWaalsContact O-CG 3.26Å; D59-R63 WeakPolarHBondContact O-CG 3.41Å; D59-R63 PolarHBondContact O-N 2.93Å; A60-R63 PolarHBondContact O-N 3.28Å; A61-R63 VanDerWaalsContact C-N 3.33Å; A61-R63 PolarHBondContact O-N 3.04Å; R63-G67 CarbonylContact O-C 3.57Å; R63-G67 WeakPolarHBondContact O-CA 3.46Å; R63-G67 PolarHBondContact O-N 3.02Å; R63-A70 HydrophobicContact CG-CB 4.32Å; R63-T72 HydrophobicContact CG-CG2 4.19Å |
| 64 | M | 90 | Very high | 91.4 | Very high | 166 Ų | 166 | 65 Ų | 65 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.2 | -37.7 | 176 | -66.5 | 173.9 | 72.3 | 0 | 0 | 112.4 | A60 A61 | A60-M64 WeakPolarHBondContact O-CG 3.28Å; A60-M64 PolarHBondContact O-N 3.1Å; A61-M64 PolarHBondContact O-N 3.38Å |
| 65 | L | 88.4 | Confident | 90.9 | Very high | 59 Ų | 59 | 70.6 Ų | 70.6 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -86.7 | -33.6 | -174.9 | -70.6 | 170 | 0 | 0 | 0 | 114.5 | I34 D36 A61 A62 | I34-L65 HydrophobicContact CB-CD1 4.35Å; I34-L65 HydrophobicContact CD1-CD1 3.59Å; I34-L65 HydrophobicContact CG1-CD1 3.77Å; I34-L65 HydrophobicContact CG2-CD1 3.65Å; D36-L65 WeakPolarHBondContact OD2-CD1 3.47Å; D36-L65 WeakPolarHBondContact OD2-CD2 3.29Å; A61-L65 WeakPolarHBondContact O-CB 3.38Å; A61-L65 WeakPolarHBondContact O-CG 3.17Å; A61-L65 PolarHBondContact O-N 3.41Å; A62-L65 PolarHBondContact O-N 2.99Å |
| 66 | R | 89.4 | Confident | 90 | Very high | 141 Ų | 141 | 73.4 Ų | 73.4 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -112.7 | -10.2 | -177.3 | -168.5 | 174.4 | -65.8 | -155.6 | 0.1 | 113.5 | A62 A70 | A62-R66 WeakPolarHBondContact O-CB 3.36Å; A62-R66 PolarHBondContact O-N 2.94Å; R66-A70 HydrophobicContact CB-CB 4.03Å |
| 67 | G | 87.8 | Confident | 88.7 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 24% | 0.237 | 38% | 0.375 | C | S | . | . | trans | 86.9 | -167.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R63 K69 A70 | R63-G67 CarbonylContact O-C 3.57Å; R63-G67 WeakPolarHBondContact O-CA 3.46Å; R63-G67 PolarHBondContact O-N 3.02Å; G67-K69 PolarHBondContact O-N 3.42Å; G67-K69 VanDerWaalsContact O-N 3.11Å; G67-A70 WeakPolarHBondContact O-CB 3.48Å; G67-A70 PolarHBondContact O-N 3.42Å | ||
| 68 | P | 84.9 | Confident | 87 | Confident | 121 Ų | 121 | 73.7 Ų | 73.7 | 79% | 0.786 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.8 | -174.1 | 26.1 | -35.1 | 0 | 0 | 0 | 114 | A70 | P68-A70 VanDerWaalsContact C-N 3.25Å; P68-A70 PolarHBondContact O-N 3.34Å |
| 69 | K | 85.5 | Confident | 85.2 | Confident | 197 Ų | 197 | 77 Ų | 77 | 86% | 0.857 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 12.9 | 175.6 | -61.4 | -180 | 179.5 | 176.9 | 0 | 112.6 | G67 R71 | G67-K69 PolarHBondContact O-N 3.42Å; G67-K69 VanDerWaalsContact O-N 3.11Å; K69-R71 PolarHBondContact O-N 3.22Å |
| 70 | A | 88.7 | Confident | 83.4 | Confident | 11 Ų | 11 | 79.8 Ų | 79.8 | 9% | 0.091 | 45% | 0.446 | C | S | . | . | trans | -59.9 | 134.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A62 R63 R66 G67 P68 T72 | A62-A70 VanDerWaalsContact C-CB 3.48Å; A62-A70 HydrophobicContact CB-CB 4.11Å; A62-A70 WeakPolarHBondContact O-CB 3.43Å; R63-A70 HydrophobicContact CG-CB 4.32Å; R66-A70 HydrophobicContact CB-CB 4.03Å; G67-A70 WeakPolarHBondContact O-CB 3.48Å; G67-A70 PolarHBondContact O-N 3.42Å; P68-A70 VanDerWaalsContact C-N 3.25Å; P68-A70 PolarHBondContact O-N 3.34Å; A70-T72 HydrophobicContact CB-CG2 4.31Å; A70-T72 PolarHBondContact O-N 3.12Å | ||
| 71 | R | 89.1 | Confident | 81.4 | Confident | 183 Ų | 183 | 80.4 Ų | 80.4 | 69% | 0.691 | 45% | 0.451 | S | S | * | . | trans | -74.5 | 115 | 171.5 | -170.4 | 169.6 | 78.7 | -169 | 10.6 | 107.4 | R20 K69 | R20-R71 VanDerWaalsContact NH1-CB 3.34Å; R20-R71 PolarHBondContact NH1-O 3.27Å; K69-R71 PolarHBondContact O-N 3.22Å | ||
| 72 | T | 92.3 | Very high | 79.4 | Confident | 38 Ų | 38 | 86.8 Ų | 86.8 | 23% | 0.233 | 48% | 0.483 | C | S | . | . | trans | -117.1 | 167.7 | -176.4 | 52.9 | 0 | 0 | 0 | 0 | 111 | D59 A62 R63 A70 F74 | D59-T72 HydrophobicContact CB-CG2 3.8Å; D59-T72 VanDerWaalsContact OD1-CA 3.23Å; D59-T72 WeakPolarHBondContact OD1-CA 3.24Å; D59-T72 VanDerWaalsContact OD1-CB 3.27Å; D59-T72 WeakPolarHBondContact OD1-CB 3.29Å; D59-T72 WeakPolarHBondContact OD2-CB 3.49Å; A62-T72 HydrophobicContact CB-CG2 4.49Å; R63-T72 HydrophobicContact CG-CG2 4.19Å; A70-T72 HydrophobicContact CB-CG2 4.31Å; A70-T72 PolarHBondContact O-N 3.12Å; T72-F74 PolarHBondContact OG1-O 3.16Å | ||
| 73 | N | 92 | Very high | 77.4 | Confident | 49 Ų | 49 | 94.7 Ų | 94.7 | 26% | 0.262 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -80.2 | -41.1 | 174.8 | -64 | -67 | 0 | 0 | 0 | 111.4 | F19 R20 A55 D59 | F19-N73 HydrophobicContact CD1-CB 4.18Å; R20-N73 VanDerWaalsContact CB-OD1 3.23Å; R20-N73 WeakPolarHBondContact CB-OD1 3.38Å; R20-N73 PolarHBondContact N-OD1 2.96Å; R20-N73 PolarHBondContact O-ND2 2.78Å; A55-N73 HydrophobicContact CB-CB 4.33Å; D59-N73 VanDerWaalsContact CG-N 3.27Å; D59-N73 PolarHBondContact OD1-N 2.98Å; D59-N73 PolarHBondContact OD1-ND2 3.46Å; D59-N73 VanDerWaalsContact OD1-ND2 3.17Å; D59-N73 PolarHBondContact OD2-N 2.84Å |
| 74 | F | 90 | Very high | 75.5 | Confident | 61 Ų | 61 | 98.2 Ų | 98.2 | 27% | 0.268 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -104.5 | 145.8 | -178.7 | -55.2 | -71 | 0 | 0 | 0 | 111.7 | F19 E52 A55 R56 D59 T72 | F19-F74 HydrophobicContact CD1-CZ 4.2Å; F19-F74 AromaticContact CE1-CE1 3.96Å; F19-F74 HydrophobicContact CE1-CE1 3.96Å; F19-F74 AromaticContact CE1-CZ 3.86Å; F19-F74 HydrophobicContact CE1-CZ 3.86Å; F19-F74 HydrophobicContact CZ-CZ 4.31Å; E52-F74 HydrophobicContact CB-CZ 4.2Å; E52-F74 WeakPolarHBondContact O-CE2 3.24Å; A55-F74 HydrophobicContact CB-CE2 3.46Å; A55-F74 VanDerWaalsContact CB-CE2 3.46Å; A55-F74 HydrophobicContact CB-CZ 3.86Å; R56-F74 HydrophobicContact CB-CE2 4.42Å; R56-F74 HydrophobicContact CG-CD2 3.73Å; R56-F74 HydrophobicContact CG-CE2 3.58Å; R56-F74 HydrophobicContact CG-CZ 4.47Å; D59-F74 VanDerWaalsContact OD2-CD2 3.24Å; D59-F74 WeakPolarHBondContact OD2-CD2 3.44Å; D59-F74 PolarHBondContact OD2-N 2.89Å; T72-F74 PolarHBondContact OG1-O 3.16Å |
| 75 | P | 85.3 | Confident | 73.5 | Confident | 117 Ų | 117 | 98.3 Ų | 98.3 | 76% | 0.76 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 142.7 | 169.2 | 27.7 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 76 | L | 75.4 | Confident | 71 | Confident | 60 Ų | 60 | 103.3 Ų | 103.3 | 31% | 0.314 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 138.3 | 167.5 | -88.6 | 79 | 0 | 0 | 0 | 108.4 | A78 A80 | L76-A78 PolarHBondContact O-N 2.93Å; L76-A80 HydrophobicContact CD2-CB 3.63Å |
| 77 | P | 68.3 | Low | 68.8 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 131 | 165.8 | 24.8 | -31.2 | 0 | 0 | 0 | 108.1 | A79 A80 | P77-A79 PolarHBondContact O-N 2.94Å; P77-A80 PolarHBondContact O-N 3.34Å |
| 78 | A | 58.9 | Low | 66.8 | Low | 72 Ų | 72 | 107.8 Ų | 107.8 | 60% | 0.595 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -51.6 | -20 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L76 A80 A81 L82 | L76-A78 PolarHBondContact O-N 2.93Å; A78-A80 PolarHBondContact O-N 3.25Å; A78-A80 VanDerWaalsContact O-N 3.16Å; A78-A81 PolarHBondContact O-N 3.33Å; A78-A81 VanDerWaalsContact O-N 3.08Å; A78-L82 PolarHBondContact O-N 2.99Å |
| 79 | A | 56.9 | Low | 64.7 | Low | 82 Ų | 82 | 106.9 Ų | 106.9 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -54.3 | -29.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P77 | P77-A79 PolarHBondContact O-N 2.94Š|
| 80 | A | 55.9 | Low | 63 | Low | 61 Ų | 61 | 102 Ų | 102 | 50% | 0.504 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -87.3 | -18.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | L76 P77 A78 | L76-A80 HydrophobicContact CD2-CB 3.63Å; P77-A80 PolarHBondContact O-N 3.34Å; A78-A80 PolarHBondContact O-N 3.25Å; A78-A80 VanDerWaalsContact O-N 3.16Å |
| 81 | A | 52.5 | Low | 61.2 | Low | 63 Ų | 63 | 106.3 Ų | 106.3 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | -16.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A78 H83 H84 | A78-A81 PolarHBondContact O-N 3.33Å; A78-A81 VanDerWaalsContact O-N 3.08Å; A81-H83 PolarHBondContact O-N 3.48Å; A81-H83 VanDerWaalsContact O-N 3.12Å; A81-H84 PolarHBondContact O-N 3.19Å |
| 82 | L | 50.2 | Low | 59.3 | Low | 145 Ų | 145 | 103 Ų | 103 | 76% | 0.759 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -6.6 | -174.2 | -72.7 | 176.3 | 0 | 0 | 0 | 115.4 | A78 | A78-L82 PolarHBondContact O-N 2.99Š|
| 83 | H | 52.3 | Low | 57.3 | Low | 170 Ų | 170 | 105.4 Ų | 105.4 | 79% | 0.787 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -1 | 178.5 | -75.3 | 118.3 | 0 | 0 | 0 | 115.1 | A81 | A81-H83 PolarHBondContact O-N 3.48Å; A81-H83 VanDerWaalsContact O-N 3.12Å |
| 84 | H | 52.1 | Low | 55.1 | Low | 148 Ų | 148 | 107.8 Ų | 107.8 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -137.1 | 113 | 175.5 | -95.7 | 45.2 | 0 | 0 | 0 | 108.6 | A81 | A81-H84 PolarHBondContact O-N 3.19Š|
| 85 | H | 47.8 | Very low | 53.5 | Low | 169 Ų | 169 | 108.6 Ų | 108.6 | 78% | 0.782 | 71% | 0.705 | S | S | * | * | trans | 81.3 | 90.4 | 173.7 | -41.9 | -68.4 | 0 | 0 | 0 | 115.6 | M87 | H85-M87 PolarHBondContact O-N 3.46Š| ||
| 86 | H | 36.2 | Very low | 52.5 | Low | 163 Ų | 163 | 109 Ų | 109 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | 10.6 | 97.9 | 122.2 | -166.2 | 159.6 | 0 | 0 | 0 | 114.4 | |||||
| 87 | M | 42.2 | Very low | 51.3 | Low | 151 Ų | 151 | 110.9 Ų | 110.9 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | trans | 164.7 | 146.3 | 132.7 | -84.8 | -56.3 | 172.3 | 0 | 0 | 110.9 | H85 | H85-M87 PolarHBondContact O-N 3.46Š| ||
| 88 | P | 46.2 | Very low | 50.3 | Low | 108 Ų | 108 | 115.8 Ų | 115.8 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | -101.5 | 156.9 | -144.8 | 38.2 | -34.9 | 0 | 0 | 0 | 116.2 | ||||
| 89 | A | 41.8 | Very low | 50.4 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | 36.1 | 95 | 140.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 90 | A | 49.3 | Very low | 50.4 | Low | 95 Ų | 95 | 119.4 Ų | 119.4 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -153.2 | -14.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 91 | A | 49.6 | Very low | 50.9 | Low | 101 Ų | 101 | 126.4 Ų | 126.4 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -99.1 | 0.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A93 | A91-A93 VanDerWaalsContact C-N 3.26Å; A91-A93 PolarHBondContact O-N 3.45Å |
| 92 | A | 50.7 | Low | 51.2 | Low | 113 Ų | 113 | 128.5 Ų | 128.5 | 93% | 0.934 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -85 | 8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 93 | A | 49.5 | Very low | 51.5 | Low | 88 Ų | 88 | 128.1 Ų | 128.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -111.1 | 5.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A91 A95 | A91-A93 VanDerWaalsContact C-N 3.26Å; A91-A93 PolarHBondContact O-N 3.45Å; A93-A95 PolarHBondContact O-N 3.1Å |
| 94 | A | 47 | Very low | 51.5 | Low | 99 Ų | 99 | 123.4 Ų | 123.4 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -98.9 | 57 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 95 | A | 55.6 | Low | 51.8 | Low | 79 Ų | 79 | 123.2 Ų | 123.2 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 132.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108 | A93 P97 | A93-A95 PolarHBondContact O-N 3.1Å; A95-P97 WeakPolarHBondContact O-CD 3.41Å |
| 96 | P | 63.6 | Low | 52 | Low | 125 Ų | 125 | 118.1 Ų | 118.1 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 126.6 | 167.3 | 27.7 | -31.2 | 0 | 0 | 0 | 108.5 | ||
| 97 | P | 49.7 | Very low | 52.8 | Low | 99 Ų | 99 | 117.8 Ų | 117.8 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 137 | 177.3 | 37.6 | -35.5 | 0 | 0 | 0 | 109 | A95 | A95-P97 WeakPolarHBondContact O-CD 3.41Š|
| 98 | Y | 48.9 | Very low | 53.1 | Low | 198 Ų | 198 | 115.1 Ų | 115.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 52.7 | 113.2 | 163.7 | 74.1 | -86 | 0 | 0 | 0 | 119.3 | ||||
| 99 | T | 60.3 | Low | 53.9 | Low | 114 Ų | 114 | 115.9 Ų | 115.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -131.8 | 105.8 | 139.5 | -68.2 | 0 | 0 | 0 | 0 | 107.7 | Y101 | T99-Y101 HydrophobicContact CG2-CD2 3.88Å; T99-Y101 HydrophobicContact CG2-CE2 3.34Å | ||
| 100 | T | 58.1 | Low | 54.7 | Low | 116 Ų | 116 | 116.6 Ų | 116.6 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | -78.5 | 122.8 | 177.6 | -16.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 101 | Y | 64.5 | Low | 54.8 | Low | 209 Ų | 209 | 117.5 Ų | 117.5 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | trans | -130.1 | 121.8 | 156.1 | -68 | -71.3 | 0 | 0 | 0 | 107.9 | T99 | T99-Y101 HydrophobicContact CG2-CD2 3.88Å; T99-Y101 HydrophobicContact CG2-CE2 3.34Å | ||
| 102 | P | 59.6 | Low | 55.3 | Low | 106 Ų | 106 | 119.5 Ų | 119.5 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | trans | -94.1 | 165 | 177 | 35.8 | -30.3 | 0 | 0 | 0 | 111.5 | ||||
| 103 | T | 56 | Low | 55.7 | Low | 137 Ų | 137 | 118.3 Ų | 118.3 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | 90.5 | 124.5 | 156.5 | -34.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 104 | A | 52.3 | Low | 55.7 | Low | 71 Ų | 71 | 125.7 Ų | 125.7 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | cis | -157.1 | 150.6 | 22.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 105 | T | 58.7 | Low | 56.1 | Low | 144 Ų | 144 | 126.8 Ų | 126.8 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | 40.4 | 121.2 | 137.6 | 58 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 106 | G | 52.1 | Low | 55.7 | Low | 62 Ų | 62 | 126.8 Ų | 126.8 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | cis | 146.5 | 162.5 | 32.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 107 | V | 52.5 | Low | 54.4 | Low | 156 Ų | 156 | 126.8 Ų | 126.8 | 95% | 0.945 | 76% | 0.76 | S | S | * | * | trans | 71.9 | 135.3 | 173.9 | -53.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 108 | S | 50.3 | Low | 54.3 | Low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | cis | -175.2 | 116.4 | -15.2 | -171.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 109 | T | 61.8 | Low | 54.3 | Low | 124 Ų | 124 | 123.8 Ų | 123.8 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | 49.4 | 157.5 | 139.3 | 58.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 110 | P | 58 | Low | 54.1 | Low | 116 Ų | 116 | 126.8 Ų | 126.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | -138.2 | -152.9 | -63 | 45.6 | -23.4 | 0 | 0 | 0 | 110.9 | |||||
| 111 | P | 53.2 | Low | 53.5 | Low | 115 Ų | 115 | 126.6 Ų | 126.6 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -107.4 | 143.9 | -127.8 | 36 | -16.3 | 0 | 0 | 0 | 115.7 | |||||
| 112 | V | 59.8 | Low | 53.1 | Low | 143 Ų | 143 | 121.8 Ų | 121.8 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -142.6 | 118.5 | 169 | -178.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 113 | A | 57.5 | Low | 52.5 | Low | 87 Ų | 87 | 123 Ų | 123 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | 36.3 | 126.9 | 143.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 114 | R | 49.5 | Very low | 52.6 | Low | 243 Ų | 243 | 122.6 Ų | 122.6 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -60.9 | 149.7 | 157.5 | -49.6 | 173.6 | 179.8 | 168.8 | -1 | 109.6 | ||||
| 115 | P | 56.5 | Low | 52.8 | Low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | -134 | 149.1 | 121.6 | 31.8 | -18.5 | 0 | 0 | 0 | 113.3 | |||||
| 116 | A | 46.2 | Very low | 52.4 | Low | 78 Ų | 78 | 126.1 Ų | 126.1 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | trans | -62.1 | 160.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 117 | C | 37.1 | Very low | 52.7 | Low | 125 Ų | 125 | 132 Ų | 132 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -13.1 | 122 | 161.9 | 51 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 118 | S | 47.8 | Very low | 52.8 | Low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -138.5 | 113.9 | 155.3 | -60.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 119 | S | 48.9 | Very low | 53 | Low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -40.2 | 138.3 | 157.4 | -45.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 120 | L | 55.3 | Low | 52.9 | Low | 177 Ų | 177 | 127.4 Ų | 127.4 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | 178.8 | 129.2 | 142.1 | -91.6 | 171.7 | 0 | 0 | 0 | 110.3 | ||||
| 121 | S | 45.4 | Very low | 53.1 | Low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -39.4 | 147.9 | 176 | -59.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 122 | S | 57.4 | Low | 53.5 | Low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -169.9 | 102.9 | 132.9 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 123 | T | 46.1 | Very low | 53.9 | Low | 131 Ų | 131 | 137.4 Ų | 137.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 50.7 | 102.4 | 101 | 67.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 124 | V | 58.2 | Low | 54.3 | Low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | trans | 172.4 | 134.6 | 154.7 | 138.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 125 | E | 56.9 | Low | 55.1 | Low | 171 Ų | 171 | 134.2 Ų | 134.2 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | cis | -160 | 151.2 | -12.2 | -108.9 | 169.5 | 103.7 | 0 | 0 | 105.7 | ||||
| 126 | S | 50.4 | Low | 55.6 | Low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -62.7 | 133.9 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 127 | F | 57.2 | Low | 56.8 | Low | 187 Ų | 187 | 137 Ų | 137 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | trans | -130.6 | 96 | 146.4 | 93.4 | -86.1 | 0 | 0 | 0 | 109.5 | G129 | F127-G129 PolarHBondContact O-N 3.04Š| ||
| 128 | S | 55.4 | Low | 58.3 | Low | 130 Ų | 130 | 136.3 Ų | 136.3 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -77.5 | 76.7 | 163.8 | -60.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 129 | G | 54.6 | Low | 59.2 | Low | 46 Ų | 46 | 142.5 Ų | 142.5 | 47% | 0.474 | 80% | 0.803 | S | S | . | * | trans | -93.9 | 113.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F127 R131 | F127-G129 PolarHBondContact O-N 3.04Å; G129-R131 PolarHBondContact O-N 3.4Å | ||
| 130 | A | 59 | Low | 60.1 | Low | 103 Ų | 103 | 145.9 Ų | 145.9 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -57.5 | 107.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 131 | R | 62.8 | Low | 60.9 | Low | 236 Ų | 236 | 142.6 Ų | 142.6 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69 | 126.6 | 172 | -97.5 | -178.4 | 173.7 | -98.3 | 0.9 | 109 | G129 | G129-R131 PolarHBondContact O-N 3.4Š|
| 132 | P | 60.5 | Low | 62.1 | Low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 137.2 | 172.7 | 26.8 | -31.2 | 0 | 0 | 0 | 109.2 | ||
| 133 | R | 68.2 | Low | 62.6 | Low | 230 Ų | 230 | 143 Ų | 143 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 134.1 | 175.3 | -69.7 | 176.4 | 164.2 | -129.8 | -2.1 | 109.3 | V135 | R133-V135 PolarHBondContact O-N 3.41Š|
| 134 | P | 65.8 | Low | 63.5 | Low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 118 | 169.2 | 26.7 | -30 | 0 | 0 | 0 | 108.5 | L136 | P134-L136 PolarHBondContact O-N 2.84Š|
| 135 | V | 66.6 | Low | 64 | Low | 141 Ų | 141 | 143.5 Ų | 143.5 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -68.8 | 109.6 | 168.5 | 177.1 | 0 | 0 | 0 | 0 | 106.8 | R133 | R133-V135 PolarHBondContact O-N 3.41Š| ||
| 136 | L | 67.7 | Low | 64.6 | Low | 156 Ų | 156 | 140.6 Ų | 140.6 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 133 | 171.9 | -81.9 | 158.4 | 0 | 0 | 0 | 109.3 | P134 | P134-L136 PolarHBondContact O-N 2.84Š|
| 137 | P | 72.4 | Confident | 65 | Low | 103 Ų | 103 | 143.4 Ų | 143.4 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67 | 151.8 | 171.8 | 28.3 | -33.4 | 0 | 0 | 0 | 110.8 | R139 | P137-R139 PolarHBondContact O-N 2.98Š|
| 138 | P | 68.2 | Low | 65.2 | Low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 126.6 | 177.6 | 25.5 | -32.3 | 0 | 0 | 0 | 110 | F140 | P138-F140 PolarHBondContact O-N 2.75Š|
| 139 | R | 65.7 | Low | 65.3 | Low | 246 Ų | 246 | 137.1 Ų | 137.1 | 93% | 0.928 | 77% | 0.772 | S | S | * | * | trans | -66.5 | 113.8 | 170.6 | -84 | -179 | 169.2 | -151.5 | -2.3 | 108.5 | P137 | P137-R139 PolarHBondContact O-N 2.98Š| ||
| 140 | F | 68.6 | Low | 65.8 | Low | 188 Ų | 188 | 141.2 Ų | 141.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 133 | 162.8 | -76.1 | -90.6 | 0 | 0 | 0 | 109.1 | P138 | P138-F140 PolarHBondContact O-N 2.75Š|
| 141 | P | 72.4 | Confident | 65.9 | Low | 108 Ų | 108 | 145.4 Ų | 145.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 142.7 | 171.1 | 26.7 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 142 | P | 70 | Confident | 66.1 | Low | 112 Ų | 112 | 139.3 Ų | 139.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 146.9 | 173.4 | 27.3 | -33.6 | 0 | 0 | 0 | 110.1 | S144 | P142-S144 PolarHBondContact O-N 2.91Š|
| 143 | P | 68.8 | Low | 65.7 | Low | 118 Ų | 118 | 141.5 Ų | 141.5 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 134.2 | 179.2 | 25.7 | -33.4 | 0 | 0 | 0 | 110.9 | I145 | P143-I145 PolarHBondContact O-N 3.28Å; P143-I145 VanDerWaalsContact O-N 3.12Å |
| 144 | S | 64.8 | Low | 65.5 | Low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -59.5 | 109.2 | 171.2 | -37.6 | 0 | 0 | 0 | 0 | 109 | P142 P146 | P142-S144 PolarHBondContact O-N 2.91Å; S144-P146 WeakPolarHBondContact O-CD 3.47Å | ||
| 145 | I | 67.9 | Low | 65.1 | Low | 152 Ų | 152 | 134 Ų | 134 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -71.8 | 118.5 | 171.1 | -58.1 | 178.3 | 0 | 0 | 0 | 106.4 | P143 | P143-I145 PolarHBondContact O-N 3.28Å; P143-I145 VanDerWaalsContact O-N 3.12Å | ||
| 146 | P | 69.4 | Low | 64.7 | Low | 109 Ų | 109 | 132.5 Ų | 132.5 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 133.9 | 174.7 | 27.3 | -32.1 | 0 | 0 | 0 | 109.6 | S144 G148 | S144-P146 WeakPolarHBondContact O-CD 3.47Å; P146-G148 PolarHBondContact O-N 3.23Å | ||
| 147 | D | 59 | Low | 63.7 | Low | 176 Ų | 176 | 131 Ų | 131 | 94% | 0.941 | 78% | 0.778 | S | S | * | * | trans | -61.2 | 85 | 169.7 | -63.9 | -70.1 | 0 | 0 | 0 | 109.6 | ||||
| 148 | G | 61 | Low | 62.8 | Low | 60 Ų | 60 | 131.1 Ų | 131.1 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | -114.4 | 103 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P146 | P146-G148 PolarHBondContact O-N 3.23Š| ||
| 149 | D | 58.6 | Low | 62.2 | Low | 126 Ų | 126 | 130.7 Ų | 130.7 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | trans | 45.1 | 74.1 | 156.2 | -67.3 | -60.3 | 0 | 0 | 0 | 117.1 | R151 | D149-R151 PolarHBondContact O-N 3.27Å; D149-R151 IonicContact OD1-CZ 3.71Å; D149-R151 IonicContact OD1-NH1 3.04Å; D149-R151 PolarHBondContact OD1-NH1 3.47Å | ||
| 150 | C | 64.1 | Low | 61.9 | Low | 131 Ų | 131 | 125.3 Ų | 125.3 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -74.6 | 78.5 | 159.5 | -161.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 151 | R | 60.9 | Low | 61.3 | Low | 191 Ų | 191 | 121.8 Ų | 121.8 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -110.6 | 91.9 | 167.1 | -67.1 | -163.8 | 177 | 101.9 | 2.9 | 108.6 | D149 | D149-R151 PolarHBondContact O-N 3.27Å; D149-R151 IonicContact OD1-CZ 3.71Å; D149-R151 IonicContact OD1-NH1 3.04Å; D149-R151 PolarHBondContact OD1-NH1 3.47Å | ||
| 152 | S | 67.9 | Low | 60.4 | Low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -125.8 | 90.9 | 166.8 | -63.1 | 0 | 0 | 0 | 0 | 107.3 | C154 | S152-C154 VanDerWaalsContact C-N 3.35Å; S152-C154 PolarHBondContact O-N 3.16Å | ||
| 153 | D | 51.1 | Low | 59.9 | Low | 164 Ų | 164 | 126.3 Ų | 126.3 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -57.3 | 92.6 | 168.8 | -63.1 | -73.5 | 0 | 0 | 0 | 109.9 | ||||
| 154 | C | 65.1 | Low | 59 | Low | 120 Ų | 120 | 128 Ų | 128 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -105.2 | 80.4 | 166.1 | -163.2 | 0 | 0 | 0 | 0 | 108.5 | S152 S156 | S152-C154 VanDerWaalsContact C-N 3.35Å; S152-C154 PolarHBondContact O-N 3.16Å; C154-S156 PolarHBondContact O-N 3.08Å | ||
| 155 | G | 57 | Low | 58.4 | Low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -70.7 | 111.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 156 | S | 58.6 | Low | 57.7 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -153.2 | 83.7 | 159.9 | -78.2 | 0 | 0 | 0 | 0 | 109.2 | C154 | C154-S156 PolarHBondContact O-N 3.08Š| ||
| 157 | S | 46 | Very low | 56.7 | Low | 124 Ų | 124 | 129.1 Ų | 129.1 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -69.4 | 127.6 | 157.8 | -54 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 158 | A | 53.7 | Low | 56.2 | Low | 106 Ų | 106 | 124.7 Ų | 124.7 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | -135.4 | 86.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 159 | S | 54.8 | Low | 55.4 | Low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -84.7 | 121.7 | 167.3 | 49.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 160 | V | 59.7 | Low | 54.9 | Low | 134 Ų | 134 | 125.5 Ų | 125.5 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -161.8 | 132.7 | 147.3 | -135.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 161 | V | 56.1 | Low | 53.9 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | 62.5 | 103.1 | 159.2 | -69.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 162 | D | 54.7 | Low | 53.4 | Low | 175 Ų | 175 | 120.7 Ų | 120.7 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -83.6 | 118.8 | 144.3 | -74.3 | -78.8 | 0 | 0 | 0 | 108 | ||||
| 163 | D | 58.7 | Low | 52.7 | Low | 141 Ų | 141 | 120.6 Ų | 120.6 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | -115.7 | 122.2 | 166.3 | -81.3 | -66.9 | 0 | 0 | 0 | 108.5 | ||||
| 164 | D | 49.2 | Very low | 52.7 | Low | 152 Ų | 152 | 117.9 Ų | 117.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -60.1 | 122.7 | -179.4 | -162.8 | -83.3 | 0 | 0 | 0 | 111.5 | ||||
| 165 | C | 53.8 | Low | 52.1 | Low | 127 Ų | 127 | 117.8 Ų | 117.8 | 86% | 0.858 | 79% | 0.794 | S | S | * | * | trans | -146.7 | 118.5 | 159 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 166 | T | 53 | Low | 52.3 | Low | 115 Ų | 115 | 124.1 Ų | 124.1 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -77.9 | 157.9 | -169.8 | -5.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 167 | D | 47.5 | Very low | 52.3 | Low | 162 Ų | 162 | 124.3 Ų | 124.3 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 96.5 | 146.7 | 159.7 | -138 | -77.2 | 0 | 0 | 0 | 118.8 | ||||
| 168 | A | 48.9 | Very low | 53.2 | Low | 83 Ų | 83 | 124.8 Ų | 124.8 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | 79.8 | 75.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 169 | A | 44 | Very low | 53.8 | Low | 104 Ų | 104 | 125.8 Ų | 125.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | 38.2 | 100.7 | 118.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 170 | A | 48.6 | Very low | 54.2 | Low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -176.7 | 106.4 | 129.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A172 | A170-A172 PolarHBondContact O-N 2.82Š| |||
| 171 | S | 42.7 | Very low | 54.5 | Low | 129 Ų | 129 | 124.8 Ų | 124.8 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -47.5 | 129.8 | 161 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 172 | A | 49.3 | Very low | 55 | Low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | -179.1 | 110.4 | 123 | 0 | 0 | 0 | 0 | 0 | 109.5 | A170 | A170-A172 PolarHBondContact O-N 2.82Š| |||
| 173 | S | 53.9 | Low | 55.7 | Low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -44.2 | 151 | 155.6 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 174 | C | 51.1 | Low | 56.1 | Low | 108 Ų | 108 | 124.2 Ų | 124.2 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | 95.9 | 137.3 | 153.1 | -56.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 175 | P | 52.1 | Low | 56.6 | Low | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -81.4 | 143.2 | -164.3 | 34.4 | -33.6 | 0 | 0 | 0 | 110.8 | P177 | P175-P177 WeakPolarHBondContact O-CD 3.43Š| ||
| 176 | F | 61 | Low | 57.1 | Low | 205 Ų | 205 | 122.4 Ų | 122.4 | 90% | 0.899 | 75% | 0.752 | S | S | * | * | trans | -75.7 | 113.1 | 167.9 | -83.2 | -84.5 | 0 | 0 | 0 | 109.6 | ||||
| 177 | P | 59.3 | Low | 57 | Low | 115 Ų | 115 | 120.3 Ų | 120.3 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | trans | -70.8 | 136.6 | 168.2 | 30.9 | -31.3 | 0 | 0 | 0 | 108.7 | P175 | P175-P177 WeakPolarHBondContact O-CD 3.43Š| ||
| 178 | L | 64 | Low | 57.2 | Low | 133 Ų | 133 | 119 Ų | 119 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | trans | -59.2 | 141.7 | 177.8 | -66 | 172.4 | 0 | 0 | 0 | 110.2 | F180 | L178-F180 PolarHBondContact O-N 3.03Š| ||
| 179 | P | 68.4 | Low | 57.1 | Low | 128 Ų | 128 | 118.4 Ų | 118.4 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -72.4 | 10.9 | -175.6 | 29.3 | -35 | 0 | 0 | 0 | 114.3 | ||
| 180 | F | 62.3 | Low | 56.9 | Low | 127 Ų | 127 | 117.7 Ų | 117.7 | 56% | 0.557 | 76% | 0.762 | S | S | * | * | trans | -144 | 120.4 | 174.7 | 56.5 | -87.2 | 0 | 0 | 0 | 109.6 | L178 L182 | L178-F180 PolarHBondContact O-N 3.03Å; F180-L182 HydrophobicContact CD2-CD2 4.14Å; F180-L182 HydrophobicContact CD2-CG 4.15Å; F180-L182 HydrophobicContact CE2-CD2 4.19Å; F180-L182 HydrophobicContact CE2-CG 4.23Å | ||
| 181 | D | 65.2 | Low | 56.8 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 48% | 0.476 | 76% | 0.76 | S | S | . | * | trans | -83.4 | 117.1 | 168.1 | 179.4 | 5.1 | 0 | 0 | 0 | 108.3 | N183 L184 | D181-N183 PolarHBondContact O-N 3.17Å; D181-N183 VanDerWaalsContact O-N 3.15Å; D181-N183 WeakPolarHBondContact OD1-CB 3.14Å; D181-N183 PolarHBondContact OD1-N 3.22Å; D181-N183 PolarHBondContact OD1-ND2 3.41Å; D181-L184 HydrophobicContact CB-CD1 3.89Å; D181-L184 HydrophobicContact CB-CG 4.16Å; D181-L184 PolarHBondContact O-N 2.58Å | ||
| 182 | L | 66.8 | Low | 57.2 | Low | 154 Ų | 154 | 115.4 Ų | 115.4 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -4.8 | 179.4 | -72.3 | 164.1 | 0 | 0 | 0 | 113 | F180 | F180-L182 HydrophobicContact CD2-CD2 4.14Å; F180-L182 HydrophobicContact CD2-CG 4.15Å; F180-L182 HydrophobicContact CE2-CD2 4.19Å; F180-L182 HydrophobicContact CE2-CG 4.23Å |
| 183 | N | 70.5 | Confident | 57 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -0.9 | 176.3 | -59.2 | -68.4 | 0 | 0 | 0 | 114 | D181 P185 | D181-N183 PolarHBondContact O-N 3.17Å; D181-N183 VanDerWaalsContact O-N 3.15Å; D181-N183 WeakPolarHBondContact OD1-CB 3.14Å; D181-N183 PolarHBondContact OD1-N 3.22Å; D181-N183 PolarHBondContact OD1-ND2 3.41Å; N183-P185 WeakPolarHBondContact O-CD 3.45Å |
| 184 | L | 65.8 | Low | 57.4 | Low | 123 Ų | 123 | 116 Ų | 116 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | trans | -81.5 | 121.5 | 177.8 | -71.8 | 163.9 | 0 | 0 | 0 | 110.6 | D181 | D181-L184 HydrophobicContact CB-CD1 3.89Å; D181-L184 HydrophobicContact CB-CG 4.16Å; D181-L184 PolarHBondContact O-N 2.58Å | ||
| 185 | P | 60.5 | Low | 56.9 | Low | 103 Ų | 103 | 114.3 Ų | 114.3 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | -63.1 | 150.7 | 169.6 | 28.5 | -33.4 | 0 | 0 | 0 | 109.3 | N183 G187 | N183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-G187 PolarHBondContact O-N 3.48Å | ||
| 186 | P | 63.9 | Low | 56.8 | Low | 137 Ų | 137 | 118 Ų | 118 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -61.1 | 100 | -176.5 | 24.7 | -33.3 | 0 | 0 | 0 | 110.5 | S188 | P186-S188 PolarHBondContact O-N 3.21Š| ||
| 187 | G | 52.1 | Low | 56.1 | Low | 72 Ų | 72 | 119.2 Ų | 119.2 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -70.2 | 115 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P185 G189 | P185-G187 PolarHBondContact O-N 3.48Å; G187-G189 PolarHBondContact O-N 3.3Å | ||
| 188 | S | 49.7 | Very low | 55.9 | Low | 135 Ų | 135 | 117.3 Ų | 117.3 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | trans | -61.5 | 110.3 | 169.8 | -177.2 | 0 | 0 | 0 | 0 | 110 | P186 | P186-S188 PolarHBondContact O-N 3.21Š| ||
| 189 | G | 47.8 | Very low | 55.2 | Low | 70 Ų | 70 | 116.9 Ų | 116.9 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 133.1 | 122 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | G187 | G187-G189 PolarHBondContact O-N 3.3Š|
| 190 | G | 40.5 | Very low | 54.8 | Low | 88 Ų | 88 | 119.3 Ų | 119.3 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | 71.2 | 97.5 | 144 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 191 | G | 45.7 | Very low | 54.6 | Low | 75 Ų | 75 | 119.6 Ų | 119.6 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -173.6 | 86.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G193 | G191-G193 PolarHBondContact O-N 2.78Š| ||
| 192 | A | 50.7 | Low | 54.3 | Low | 105 Ų | 105 | 121 Ų | 121 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | 27 | 83.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | V194 | A192-V194 PolarHBondContact O-N 2.79Š| ||
| 193 | G | 46.1 | Very low | 53.7 | Low | 74 Ų | 74 | 121.1 Ų | 121.1 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | -84 | 96.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G191 G195 | G191-G193 PolarHBondContact O-N 2.78Å; G193-G195 PolarHBondContact O-N 3.18Å | ||
| 194 | V | 60.7 | Low | 53.2 | Low | 137 Ų | 137 | 121 Ų | 121 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -13.5 | 119.3 | 160.3 | -73.1 | 0 | 0 | 0 | 0 | 115.7 | A192 F196 | A192-V194 PolarHBondContact O-N 2.79Å; V194-F196 PolarHBondContact O-N 3.38Å | ||
| 195 | G | 40.6 | Very low | 52.9 | Low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -62.9 | 125.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G193 | G193-G195 PolarHBondContact O-N 3.18Š| ||
| 196 | F | 50.9 | Low | 52.9 | Low | 197 Ų | 197 | 126 Ų | 126 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -97.4 | 90.7 | 165.4 | -137.9 | -92.4 | 0 | 0 | 0 | 107 | V194 A198 | V194-F196 PolarHBondContact O-N 3.38Å; F196-A198 HydrophobicContact CD1-CB 4.06Å; F196-A198 HydrophobicContact CE1-CB 4.38Å; F196-A198 PolarHBondContact O-N 3.43Å | ||
| 197 | Y | 47.3 | Very low | 52.7 | Low | 230 Ų | 230 | 124.5 Ų | 124.5 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -69.4 | 110.3 | 160.3 | -91.4 | -94.2 | 0 | 0 | 0 | 106.9 | ||||
| 198 | A | 53.9 | Low | 53.1 | Low | 74 Ų | 74 | 124.8 Ų | 124.8 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | trans | -139.5 | 97.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | F196 | F196-A198 HydrophobicContact CD1-CB 4.06Å; F196-A198 HydrophobicContact CE1-CB 4.38Å; F196-A198 PolarHBondContact O-N 3.43Å | ||
| 199 | D | 50.5 | Low | 53.6 | Low | 125 Ų | 125 | 126.2 Ų | 126.2 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | trans | 42.6 | 100.3 | 158 | -88.9 | -119.3 | 0 | 0 | 0 | 119.4 | E201 | D199-E201 PolarHBondContact O-N 2.75Š| ||
| 200 | E | 59 | Low | 54.2 | Low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -82.1 | 24.1 | 158.9 | -64.5 | -169.2 | 100.1 | 0 | 0 | 112.5 | ||||
| 201 | E | 59.4 | Low | 55.1 | Low | 134 Ų | 134 | 141.4 Ų | 141.4 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | trans | -93 | -5.1 | -172.6 | -58.4 | -146.1 | 136 | 0 | 0 | 115.4 | D199 | D199-E201 PolarHBondContact O-N 2.75Š| ||
| 202 | D | 57 | Low | 55.5 | Low | 119 Ų | 119 | 144.7 Ų | 144.7 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -92.2 | -9.8 | 179.2 | -86.7 | -38.2 | 0 | 0 | 0 | 114.7 | ||
| 203 | E | 56.1 | Low | 55.8 | Low | 155 Ų | 155 | 146.8 Ų | 146.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | H | α-helix | trans | -83.8 | -20.1 | 179 | -126.9 | -173.7 | 151.4 | 0 | 0 | 113.6 | T207 | E203-T207 PolarHBondContact O-OG1 3.02Å |
| 204 | L | 59.4 | Low | 56.3 | Low | 137 Ų | 137 | 150.8 Ų | 150.8 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | H | α-helix | trans | -82.5 | -12.5 | 175.6 | -76.2 | 163 | 0 | 0 | 0 | 113.7 | T207 | L204-T207 PolarHBondContact O-OG1 3.03Å |
| 205 | R | 59.4 | Low | 56.1 | Low | 190 Ų | 190 | 151.6 Ų | 151.6 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | H | α-helix | trans | -91.7 | -22.1 | 174.5 | -72.9 | -169.8 | 161 | 122.2 | 1.7 | 113.6 | ||
| 206 | L | 59.8 | Low | 57 | Low | 143 Ų | 143 | 156.6 Ų | 156.6 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -82.8 | -14.7 | 178.8 | -77.1 | 166.4 | 0 | 0 | 0 | 113.7 | ||
| 207 | T | 60.6 | Low | 57.4 | Low | 105 Ų | 105 | 153.9 Ų | 153.9 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -92.5 | -10.7 | 178.2 | 39.4 | 0 | 0 | 0 | 0 | 113.8 | E203 L204 | E203-T207 PolarHBondContact O-OG1 3.02Å; L204-T207 PolarHBondContact O-OG1 3.03Å |
| 208 | A | 59.2 | Low | 58.2 | Low | 78 Ų | 78 | 148.5 Ų | 148.5 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -3.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 209 | L | 60.4 | Low | 58.5 | Low | 164 Ų | 164 | 154.2 Ų | 154.2 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 22.3 | -179.9 | -79.5 | 174.4 | 0 | 0 | 0 | 114 | ||
| 210 | R | 61.1 | Low | 59.1 | Low | 235 Ų | 235 | 156.7 Ų | 156.7 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -123 | 64.1 | 176.7 | -161.2 | 179.4 | 178.8 | 97.6 | -0.6 | 110.5 | ||||
| 211 | L | 58.4 | Low | 59.2 | Low | 242 Ų | 242 | 154.7 Ų | 154.7 | 100% | 1.267 | 77% | 0.77 | S | S | * | * | trans | -131.3 | 0 | 162.4 | -91.9 | 164.8 | 0 | 0 | 0 | 108.5 |
Retrieved 211 of 211 residues in 125.2 ms
(Link to these results)