| 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 | 54.3 | Low | 88.7 | Confident | 203 Ų | 203 | 74.7 Ų | 74.7 | 100% | 1 | 40% | 0.396 | S | S | * | . | 0 | 153.7 | 0 | -74.2 | 176 | 171.3 | 0 | 0 | 107.6 | |||||
| 2 | P | 78.9 | Confident | 88.7 | Confident | 49 Ų | 49 | 72.2 Ų | 72.2 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | trans | -59.2 | 139.5 | 166.9 | 27.7 | -33.8 | 0 | 0 | 0 | 108.9 | A25 | P2-A25 HydrophobicContact CB-CB 3.79Š| ||
| 3 | E | 89.4 | Confident | 88.7 | Confident | 160 Ų | 160 | 83.1 Ų | 83.1 | 75% | 0.748 | 45% | 0.447 | S | S | * | . | trans | -64 | 139 | 171.6 | -169.1 | 176.9 | 168 | 0 | 0 | 109.4 | ||||
| 4 | I | 94 | Very high | 88.7 | Confident | 69 Ų | 69 | 80.6 Ų | 80.6 | 35% | 0.354 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117 | 175 | -53.5 | -179.8 | 0 | 0 | 0 | 106.2 | V22 S23 I24 | I4-V22 HydrophobicContact CG2-CG1 4.35Å; I4-S23 WeakPolarHBondContact CA-O 3.44Å; I4-I24 HydrophobicContact CD1-CD1 3.83Å; I4-I24 HydrophobicContact CG1-CD1 3.8Å; I4-I24 HydrophobicContact CG1-CG1 3.96Å |
| 5 | R | 94.8 | Very high | 88.7 | Confident | 114 Ų | 114 | 83.7 Ų | 83.7 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.1 | 177.3 | -179.6 | 175.7 | 173.5 | -125.2 | -12.5 | 109 | S23 Y50 | R5-S23 PolarHBondContact N-O 3.16Å; R5-S23 PolarHBondContact O-N 3.37Å; R5-Y50 PolarHBondContact NH1-OH 2.81Å; R5-Y50 PolarHBondContact NH2-OH 3.05Å |
| 6 | V | 95.4 | Very high | 88.8 | Confident | 71 Ų | 71 | 78.8 Ų | 78.8 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.4 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 108 | I20 L21 V22 | V6-I20 HydrophobicContact CG1-CG2 3.42Å; V6-I20 VanDerWaalsContact CG1-CG2 3.42Å; V6-L21 WeakPolarHBondContact CA-O 3.47Å; V6-V22 HydrophobicContact CG2-CG2 4.46Å |
| 7 | T | 94.9 | Very high | 89.1 | Confident | 20 Ų | 20 | 77.9 Ų | 77.9 | 12% | 0.123 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 106.4 | 179.8 | -52.3 | 0 | 0 | 0 | 0 | 108.5 | L9 L21 Y50 | T7-L9 HydrophobicContact CG2-CD2 4.16Å; T7-L9 PolarHBondContact O-N 2.87Å; T7-L21 PolarHBondContact N-O 3.27Å; T7-L21 PolarHBondContact O-N 3.2Å; T7-Y50 HydrophobicContact CG2-CD1 4.39Å; T7-Y50 HydrophobicContact CG2-CE1 4.2Å |
| 8 | P | 95.3 | Very high | 89.6 | Confident | 78 Ų | 78 | 74.4 Ų | 74.4 | 51% | 0.506 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 125.1 | 173.7 | 28.7 | -32.2 | 0 | 0 | 0 | 109.7 | ||
| 9 | L | 94.3 | Very high | 90 | Very high | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -13.2 | 172 | -54.8 | -179.1 | 0 | 0 | 0 | 111.4 | T7 C19 L21 P46 D47 Y50 I51 | T7-L9 HydrophobicContact CG2-CD2 4.16Å; T7-L9 PolarHBondContact O-N 2.87Å; L9-C19 HydrophobicContact CB-CB 4.22Å; L9-C19 PolarHBondContact N-O 2.93Å; L9-L21 HydrophobicContact CD1-CB 4.22Å; L9-L21 HydrophobicContact CG-CB 4.4Å; L9-P46 HydrophobicContact CB-CB 4.43Å; L9-D47 PolarHBondContact O-N 3.34Å; L9-Y50 HydrophobicContact CD2-CD1 4.02Å; L9-Y50 HydrophobicContact CD2-CG 4.16Å; L9-I51 HydrophobicContact CD1-CG2 3.94Å |
| 10 | G | 93.1 | Very high | 90.3 | Very high | 7 Ų | 7 | 70 Ų | 70 | 7% | 0.072 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G12 R17 C19 | G10-G12 PolarHBondContact O-N 2.95Å; G10-R17 CarbonylContact C-O 3.52Å; G10-R17 VanDerWaalsContact CA-O 3.3Å; G10-R17 WeakPolarHBondContact CA-O 3.36Å; G10-C19 PolarHBondContact N-O 3.06Å |
| 11 | A | 90.9 | Very high | 90.6 | Very high | 36 Ų | 36 | 66.6 Ų | 66.6 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | trans | 53.4 | 12.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q13 D14 G16 | A11-Q13 PolarHBondContact O-N 3.3Å; A11-D14 CarbonylContact C-O 3.43Å; A11-D14 WeakPolarHBondContact CA-O 3.47Å; A11-G16 PolarHBondContact N-O 3.08Å | ||
| 12 | G | 88.5 | Confident | 92.5 | Very high | 44 Ų | 44 | 57.4 Ų | 57.4 | 45% | 0.454 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 103.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G10 D14 | G10-G12 PolarHBondContact O-N 2.95Å; G12-D14 PolarHBondContact O-N 3.3Å |
| 13 | Q | 89.9 | Confident | 93.2 | Very high | 214 Ų | 214 | 56.2 Ų | 56.2 | 100% | 1 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 27.5 | -173.7 | -52.6 | -174.4 | -65.3 | 0 | 0 | 113.9 | A11 | A11-Q13 PolarHBondContact O-N 3.3Š|
| 14 | D | 88.1 | Confident | 93.4 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -146.7 | 153.3 | -173.5 | -171.9 | 19.2 | 0 | 0 | 0 | 109.8 | A11 G12 R17 H36 | A11-D14 CarbonylContact C-O 3.43Å; A11-D14 WeakPolarHBondContact CA-O 3.47Å; G12-D14 PolarHBondContact O-N 3.3Å; D14-R17 IonicContact OD2-CZ 3.27Å; D14-R17 VanDerWaalsContact OD2-CZ 3.23Å; D14-R17 IonicContact OD2-NE 3.76Å; D14-R17 PolarHBondContact OD2-NE 2.81Å; D14-R17 IonicContact OD2-NH2 2.72Å; D14-R17 PolarHBondContact OD2-NH2 3.22Å; D14-H36 IonicContact OD1-CD2 3.1Å; D14-H36 IonicContact OD1-NE2 3.53Å; D14-H36 IonicContact OD2-CD2 3.89Å |
| 15 | V | 89.2 | Confident | 93.1 | Very high | 127 Ų | 127 | 48.7 Ų | 48.7 | 77% | 0.77 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -109.4 | 108.5 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | H36 | V15-H36 PolarHBondContact O-CD2 2.82Š|
| 16 | G | 89.8 | Confident | 92.7 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 127.3 | 175.1 | -175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A11 S18 | A11-G16 PolarHBondContact N-O 3.08Å; G16-S18 PolarHBondContact O-N 3.11Å; G16-S18 VanDerWaalsContact O-N 3.1Å |
| 17 | R | 94.6 | Very high | 92.5 | Very high | 64 Ų | 64 | 45.8 Ų | 45.8 | 24% | 0.242 | 29% | 0.286 | C | S | . | . | trans | 48.1 | 37.9 | 175.8 | 61.4 | -177 | 169.8 | 150.1 | 4.8 | 114.2 | G10 D14 C19 M35 H36 R43 P46 | G10-R17 CarbonylContact C-O 3.52Å; G10-R17 VanDerWaalsContact CA-O 3.3Å; G10-R17 WeakPolarHBondContact CA-O 3.36Å; D14-R17 IonicContact OD2-CZ 3.27Å; D14-R17 VanDerWaalsContact OD2-CZ 3.23Å; D14-R17 IonicContact OD2-NE 3.76Å; D14-R17 PolarHBondContact OD2-NE 2.81Å; D14-R17 IonicContact OD2-NH2 2.72Å; D14-R17 PolarHBondContact OD2-NH2 3.22Å; R17-C19 PolarHBondContact O-N 2.84Å; R17-M35 PolarHBondContact N-O 3.02Å; R17-H36 HydrophobicContact CB-CB 3.94Å; R17-H36 HydrophobicContact CG-CB 3.89Å; R17-R43 PolarHBondContact NH1-O 2.87Å; R17-P46 HydrophobicContact CB-CG 4.41Å | ||
| 18 | S | 96.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | trans | -57.6 | 121.1 | -176.8 | -58 | 0 | 0 | 0 | 0 | 110.8 | G16 D32 C33 G34 D72 H73 | G16-S18 PolarHBondContact O-N 3.11Å; G16-S18 VanDerWaalsContact O-N 3.1Å; S18-D32 CarbonylContact O-C 3.19Å; S18-D32 WeakPolarHBondContact O-CB 3.48Å; S18-C33 PolarHBondContact O-N 2.87Å; S18-G34 PolarHBondContact O-N 3.33Å; S18-D72 WeakPolarHBondContact CB-O 3.36Å; S18-D72 PolarHBondContact N-O 2.92Å; S18-D72 PolarHBondContact OG-O 3.2Å; S18-D72 VanDerWaalsContact OG-O 3.1Å; S18-H73 PolarHBondContact OG-CE1 2.95Å; S18-H73 VanDerWaalsContact OG-CE1 3.27Å; S18-H73 PolarHBondContact OG-NE2 3.23Å | ||
| 19 | C | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 113.8 | -179.3 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | L9 G10 R17 M30 L31 P46 | L9-C19 HydrophobicContact CB-CB 4.22Å; L9-C19 PolarHBondContact N-O 2.93Å; G10-C19 PolarHBondContact N-O 3.06Å; R17-C19 PolarHBondContact O-N 2.84Å; C19-M30 VanDerWaalsContact SG-SD 3.63Å; C19-L31 CarbonylContact C-O 3.55Å; C19-L31 WeakPolarHBondContact CA-O 3.21Å; C19-P46 HydrophobicContact CB-CB 3.5Å; C19-P46 HydrophobicContact CB-CG 3.51Å |
| 20 | I | 96.8 | Very high | 92.4 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.8 | -176.4 | -57.6 | 174.9 | 0 | 0 | 0 | 109 | V6 V22 L31 | V6-I20 HydrophobicContact CG1-CG2 3.42Å; V6-I20 VanDerWaalsContact CG1-CG2 3.42Å; I20-V22 HydrophobicContact CG2-CG2 4.27Å; I20-L31 HydrophobicContact CB-CB 4.33Å; I20-L31 PolarHBondContact N-O 3.32Å; I20-L31 PolarHBondContact O-N 2.61Å |
| 21 | L | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 121.8 | 173.2 | 176 | 63.6 | 0 | 0 | 0 | 109.9 | V6 T7 L9 N28 Y50 I51 F60 L61 | V6-L21 WeakPolarHBondContact CA-O 3.47Å; T7-L21 PolarHBondContact N-O 3.27Å; T7-L21 PolarHBondContact O-N 3.2Å; L9-L21 HydrophobicContact CD1-CB 4.22Å; L9-L21 HydrophobicContact CG-CB 4.4Å; L21-N28 HydrophobicContact CD1-CB 4.06Å; L21-Y50 HydrophobicContact CD2-CD1 4.08Å; L21-Y50 HydrophobicContact CD2-CE1 3.95Å; L21-I51 HydrophobicContact CD2-CG2 4.13Å; L21-F60 HydrophobicContact CD1-CE1 4.37Å; L21-F60 HydrophobicContact CD2-CE1 3.9Å; L21-F60 HydrophobicContact CD2-CZ 4.13Å; L21-L61 HydrophobicContact CD1-CD2 3.62Å |
| 22 | V | 95.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 109.2 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | I4 V6 I20 V29 L31 | I4-V22 HydrophobicContact CG2-CG1 4.35Å; V6-V22 HydrophobicContact CG2-CG2 4.46Å; I20-V22 HydrophobicContact CG2-CG2 4.27Å; V22-V29 PolarHBondContact N-O 3.35Å; V22-V29 PolarHBondContact O-N 2.91Å; V22-L31 HydrophobicContact CG2-CD1 3.69Å; V22-L31 HydrophobicContact CG2-CG 4.09Å |
| 23 | S | 93.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 18% | 0.175 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.9 | 172.1 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | I4 R5 K27 N28 | I4-S23 WeakPolarHBondContact CA-O 3.44Å; R5-S23 PolarHBondContact N-O 3.16Å; R5-S23 PolarHBondContact O-N 3.37Å; S23-K27 CarbonylContact C-O 3.59Å; S23-K27 VanDerWaalsContact CA-O 3.27Å; S23-K27 WeakPolarHBondContact CA-O 3.27Å; S23-N28 WeakPolarHBondContact CB-OD1 3.38Å; S23-N28 PolarHBondContact OG-OD1 3.18Å |
| 24 | I | 92.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 128.6 | -179.9 | -178 | 168 | 0 | 0 | 0 | 110.8 | I4 G26 K27 L176 V178 | I4-I24 HydrophobicContact CD1-CD1 3.83Å; I4-I24 HydrophobicContact CG1-CD1 3.8Å; I4-I24 HydrophobicContact CG1-CG1 3.96Å; I24-G26 PolarHBondContact O-N 2.85Å; I24-G26 VanDerWaalsContact O-N 3.11Å; I24-K27 PolarHBondContact N-O 3.26Å; I24-K27 WeakPolarHBondContact O-CA 3.49Å; I24-K27 WeakPolarHBondContact O-CB 3.35Å; I24-K27 PolarHBondContact O-N 3.07Å; I24-L176 HydrophobicContact CD1-CD2 4.32Å; I24-L176 HydrophobicContact CG2-CD2 4.03Å; I24-V178 HydrophobicContact CD1-CG2 3.65Å; I24-V178 HydrophobicContact CG1-CG2 3.95Å; I24-V178 HydrophobicContact CG2-CG2 4.49Å |
| 25 | A | 88.6 | Confident | 93.9 | Very high | 57 Ų | 57 | 27.2 Ų | 27.2 | 47% | 0.471 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 34.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P2 V178 | P2-A25 HydrophobicContact CB-CB 3.79Å; A25-V178 HydrophobicContact CB-CG1 4.36Å |
| 26 | G | 86.7 | Confident | 94.1 | Very high | 75 Ų | 75 | 22.4 Ų | 22.4 | 77% | 0.773 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 17.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I24 | I24-G26 PolarHBondContact O-N 2.85Å; I24-G26 VanDerWaalsContact O-N 3.11Å |
| 27 | K | 89.4 | Confident | 94.1 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 21% | 0.213 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.5 | 176.9 | -65.2 | -68.1 | 174.2 | -171.6 | 0 | 111.6 | S23 I24 D62 F146 | S23-K27 CarbonylContact C-O 3.59Å; S23-K27 VanDerWaalsContact CA-O 3.27Å; S23-K27 WeakPolarHBondContact CA-O 3.27Å; I24-K27 PolarHBondContact N-O 3.26Å; I24-K27 WeakPolarHBondContact O-CA 3.49Å; I24-K27 WeakPolarHBondContact O-CB 3.35Å; I24-K27 PolarHBondContact O-N 3.07Å; K27-D62 WeakPolarHBondContact CA-OD2 3.16Å; K27-D62 HydrophobicContact CD-CB 4.45Å; K27-D62 WeakPolarHBondContact CD-OD1 3.38Å; K27-D62 WeakPolarHBondContact CD-OD2 3.16Å; K27-D62 WeakPolarHBondContact CE-OD1 3.34Å; K27-D62 IonicContact NZ-OD1 3.55Å; K27-D62 PolarHBondContact NZ-OD1 3.27Å; K27-D62 IonicContact NZ-OD2 3.4Å; K27-F146 HydrophobicContact CD-CD2 3.86Å; K27-F146 HydrophobicContact CD-CE2 3.8Å; K27-F146 HydrophobicContact CD-CG 4.26Å; K27-F146 HydrophobicContact CD-CZ 4.19Å; K27-F146 HydrophobicContact CG-CE2 4.2Å |
| 28 | N | 93.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 109.7 | -172.7 | -70.7 | -33.9 | 0 | 0 | 0 | 110.6 | L21 S23 F60 L61 D62 | L21-N28 HydrophobicContact CD1-CB 4.06Å; S23-N28 WeakPolarHBondContact CB-OD1 3.38Å; S23-N28 PolarHBondContact OG-OD1 3.18Å; N28-F60 WeakPolarHBondContact CB-O 3.16Å; N28-F60 VanDerWaalsContact ND2-CE2 3.28Å; N28-F60 WeakPolarHBondContact ND2-CE2 3.18Å; N28-F60 WeakPolarHBondContact ND2-CZ 3.37Å; N28-F60 PolarHBondContact ND2-O 3.41Å; N28-L61 HydrophobicContact CB-CD2 4.19Å; N28-D62 PolarHBondContact N-OD2 3.45Å; N28-D62 WeakPolarHBondContact O-CB 3.09Å; N28-D62 PolarHBondContact O-N 2.99Å |
| 29 | V | 94.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.6 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | V22 L31 I65 L278 | V22-V29 PolarHBondContact N-O 3.35Å; V22-V29 PolarHBondContact O-N 2.91Å; V29-L31 HydrophobicContact CG1-CD2 3.93Å; V29-I65 HydrophobicContact CG1-CD1 3.52Å; V29-I65 HydrophobicContact CG1-CG1 3.93Å; V29-L278 HydrophobicContact CG2-CD2 3.5Å; V29-L278 VanDerWaalsContact CG2-CD2 3.5Å |
| 30 | M | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.9 | 171.5 | -160.4 | 168.6 | 79.6 | 0 | 0 | 109.8 | C19 C33 I51 L61 C63 V64 I65 F80 | C19-M30 VanDerWaalsContact SG-SD 3.63Å; M30-C33 HydrophobicContact CE-CB 3.96Å; M30-I51 HydrophobicContact SD-CD1 4.41Å; M30-L61 HydrophobicContact CB-CD1 4.47Å; M30-L61 HydrophobicContact CB-CD2 4.2Å; M30-L61 HydrophobicContact SD-CD1 4.01Å; M30-C63 PolarHBondContact N-O 3.47Å; M30-V64 HydrophobicContact CB-CG1 4.46Å; M30-V64 HydrophobicContact CB-CG2 4.22Å; M30-V64 HydrophobicContact CE-CG1 3.93Å; M30-V64 HydrophobicContact CE-CG2 3.9Å; M30-V64 CarbonylContact O-C 3.59Å; M30-V64 WeakPolarHBondContact O-CA 3.15Å; M30-I65 PolarHBondContact O-N 2.89Å; M30-F80 HydrophobicContact CE-CD1 3.82Å; M30-F80 HydrophobicContact CE-CD2 4.22Å; M30-F80 HydrophobicContact CE-CE1 3.49Å; M30-F80 VanDerWaalsContact CE-CE1 3.49Å; M30-F80 HydrophobicContact CE-CE2 3.92Å; M30-F80 HydrophobicContact CE-CG 4.18Å; M30-F80 HydrophobicContact CE-CZ 3.55Å; M30-F80 HydrophobicContact SD-CE2 4.21Å; M30-F80 HydrophobicContact SD-CZ 4.09Å |
| 31 | L | 97.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 18% | 0.178 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.8 | 174.5 | -54 | -179.1 | 0 | 0 | 0 | 108.9 | C19 I20 V22 V29 I65 | C19-L31 CarbonylContact C-O 3.55Å; C19-L31 WeakPolarHBondContact CA-O 3.21Å; I20-L31 HydrophobicContact CB-CB 4.33Å; I20-L31 PolarHBondContact N-O 3.32Å; I20-L31 PolarHBondContact O-N 2.61Å; V22-L31 HydrophobicContact CG2-CD1 3.69Å; V22-L31 HydrophobicContact CG2-CG 4.09Å; V29-L31 HydrophobicContact CG1-CD2 3.93Å; L31-I65 HydrophobicContact CD2-CB 4.06Å; L31-I65 HydrophobicContact CD2-CD1 4.08Å; L31-I65 HydrophobicContact CD2-CG1 4.46Å |
| 32 | D | 97.5 | Very high | 91.6 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | trans | 58.6 | 161 | -174.8 | -67 | -43.5 | 0 | 0 | 0 | 115.6 | S18 I65 I66 S67 H73 | S18-D32 CarbonylContact O-C 3.19Å; S18-D32 WeakPolarHBondContact O-CB 3.48Å; D32-I65 PolarHBondContact N-O 2.94Å; D32-I66 WeakPolarHBondContact OD1-CA 3.41Å; D32-S67 VanDerWaalsContact CG-OG 3.27Å; D32-S67 PolarHBondContact OD1-N 2.67Å; D32-S67 PolarHBondContact OD1-OG 2.6Å; D32-S67 WeakPolarHBondContact OD2-CB 3.47Å; D32-S67 PolarHBondContact OD2-OG 2.91Å; D32-H73 HydrophobicContact CB-CB 4.26Å; D32-H73 VanDerWaalsContact CG-ND1 3.29Å; D32-H73 IonicContact OD1-ND1 3.65Å; D32-H73 IonicContact OD2-CE1 3.81Å; D32-H73 IonicContact OD2-CG 2.74Å; D32-H73 IonicContact OD2-ND1 3.79Å; D32-H73 PolarHBondContact OD2-ND1 3.37Å | ||
| 33 | C | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -150.9 | 66.7 | 177.7 | -165.7 | 0 | 0 | 0 | 0 | 109.4 | S18 M30 I66 H73 C74 G75 A76 L77 F80 | S18-C33 PolarHBondContact O-N 2.87Å; M30-C33 HydrophobicContact CE-CB 3.96Å; C33-I66 HydrophobicContact CB-CD1 4.3Å; C33-H73 CarbonylContact C-O 3.59Å; C33-H73 VanDerWaalsContact C-O 3.24Å; C33-H73 PolarHBondContact N-O 3.07Å; C33-C74 CarbonylContact O-C 3.54Å; C33-C74 WeakPolarHBondContact O-CA 3.31Å; C33-G75 PolarHBondContact O-N 3.35Å; C33-A76 WeakPolarHBondContact O-CA 3.28Å; C33-A76 WeakPolarHBondContact O-CB 3.24Å; C33-A76 PolarHBondContact O-N 3.28Å; C33-L77 HydrophobicContact CB-CB 4.35Å; C33-L77 HydrophobicContact CB-CD1 3.94Å; C33-L77 PolarHBondContact O-N 3.3Å; C33-F80 WeakPolarHBondContact SG-CB 3.11Å | ||
| 34 | G | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -85.8 | 172.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S18 P46 L71 D72 H73 A76 | S18-G34 PolarHBondContact O-N 3.33Å; G34-P46 VanDerWaalsContact O-CD 3.31Å; G34-P46 WeakPolarHBondContact O-CD 3.49Å; G34-L71 CarbonylContact C-O 3.32Å; G34-L71 WeakPolarHBondContact CA-O 3.07Å; G34-D72 VanDerWaalsContact CA-O 3.29Å; G34-D72 WeakPolarHBondContact CA-O 3.09Å; G34-H73 PolarHBondContact N-O 3.46Å; G34-A76 WeakPolarHBondContact O-CB 3.15Å | ||
| 35 | M | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -121.3 | 146.9 | 170.2 | -158.8 | -177.9 | -53.9 | 0 | 0 | 110.9 | R17 R44 F45 L71 D72 G75 Y107 F120 F121 | R17-M35 PolarHBondContact N-O 3.02Å; M35-R44 CarbonylContact C-O 3.58Å; M35-R44 WeakPolarHBondContact CA-O 3.44Å; M35-R44 HydrophobicContact CG-CB 3.82Å; M35-R44 HydrophobicContact CG-CG 3.71Å; M35-R44 VanDerWaalsContact CG-O 3.32Å; M35-R44 WeakPolarHBondContact CG-O 3.42Å; M35-R44 HydrophobicContact SD-CB 4.29Å; M35-R44 WeakPolarHBondContact SD-CD 3.1Å; M35-R44 HydrophobicContact SD-CG 3.81Å; M35-F45 HydrophobicContact CE-CD1 4.38Å; M35-F45 HydrophobicContact CE-CE1 3.67Å; M35-F45 HydrophobicContact CE-CZ 4.39Å; M35-F45 HydrophobicContact CG-CD1 4.44Å; M35-F45 HydrophobicContact SD-CE1 4.27Å; M35-L71 PolarHBondContact N-O 3.19Å; M35-D72 WeakPolarHBondContact O-CA 3.4Å; M35-G75 WeakPolarHBondContact CE-O 3.47Å; M35-Y107 HydrophobicContact CE-CE1 3.88Å; M35-Y107 HydrophobicContact SD-CE1 3.71Å; M35-Y107 PolarHBondContact SD-OH 2.91Å; M35-F120 HydrophobicContact CE-CE2 4.07Å; M35-F120 HydrophobicContact CE-CZ 4.04Å; M35-F120 HydrophobicContact SD-CE2 4.28Å; M35-F121 HydrophobicContact CE-CE1 3.99Å | ||
| 36 | H | 93.9 | Very high | 91.5 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | trans | -90.3 | 109.6 | 175.9 | 177.9 | -72.3 | 0 | 0 | 0 | 110.5 | D14 V15 R17 G38 F39 R44 | D14-H36 IonicContact OD1-CD2 3.1Å; D14-H36 IonicContact OD1-NE2 3.53Å; D14-H36 IonicContact OD2-CD2 3.89Å; V15-H36 PolarHBondContact O-CD2 2.82Å; R17-H36 HydrophobicContact CB-CB 3.94Å; R17-H36 HydrophobicContact CG-CB 3.89Å; H36-G38 PolarHBondContact ND1-N 2.86Å; H36-G38 VanDerWaalsContact ND1-N 3.16Å; H36-G38 PolarHBondContact O-N 3.37Å; H36-G38 VanDerWaalsContact O-N 3.12Å; H36-F39 HydrophobicContact CB-CD2 4.09Å; H36-F39 AromaticContact CE1-CD2 3.49Å; H36-F39 VanDerWaalsContact CE1-CD2 3.49Å; H36-F39 WeakPolarHBondContact CE1-CD2 3.32Å; H36-F39 AromaticContact CE1-CE2 3.44Å; H36-F39 VanDerWaalsContact CE1-CE2 3.44Å; H36-F39 WeakPolarHBondContact CE1-CE2 3.46Å; H36-F39 AromaticContact CG-CD2 3.58Å; H36-F39 AromaticContact CG-CE2 3.9Å; H36-F39 AromaticContact ND1-CD2 3.07Å; H36-F39 WeakPolarHBondContact ND1-CD2 3.29Å; H36-F39 AromaticContact ND1-CE2 3.5Å; H36-F39 AromaticContact ND1-CG 3.74Å; H36-F39 PolarHBondContact ND1-N 2.82Å; H36-F39 AromaticContact NE2-CE2 3.81Å; H36-F39 PolarHBondContact O-N 3.03Å; H36-R44 PolarHBondContact N-O 3.42Å | ||
| 37 | M | 88.3 | Confident | 91.8 | Very high | 89 Ų | 89 | 41.3 Ų | 41.3 | 44% | 0.438 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.4 | -170 | -59.2 | -57.9 | -66.4 | 0 | 0 | 115.1 | L71 Y107 | M37-L71 HydrophobicContact CE-CB 4.49Å; M37-L71 HydrophobicContact CE-CD1 3.57Å; M37-L71 HydrophobicContact SD-CB 3.67Å; M37-L71 HydrophobicContact SD-CD1 3.86Å; M37-L71 HydrophobicContact SD-CG 4.43Å; M37-Y107 HydrophobicContact CE-CD2 3.96Å; M37-Y107 HydrophobicContact CE-CE2 3.49Å; M37-Y107 VanDerWaalsContact CE-CE2 3.49Å; M37-Y107 HydrophobicContact SD-CE2 4.35Å |
| 38 | G | 87.1 | Confident | 91.8 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 60% | 0.598 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | H36 | H36-G38 PolarHBondContact ND1-N 2.86Å; H36-G38 VanDerWaalsContact ND1-N 3.16Å; H36-G38 PolarHBondContact O-N 3.37Å; H36-G38 VanDerWaalsContact O-N 3.12Å |
| 39 | F | 87.6 | Confident | 91.6 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 24% | 0.241 | 22% | 0.222 | C | C | . | . | trans | -111.5 | 136.4 | 177.8 | -66.3 | -57 | 0 | 0 | 0 | 110.8 | H36 R43 R44 | H36-F39 HydrophobicContact CB-CD2 4.09Å; H36-F39 AromaticContact CE1-CD2 3.49Å; H36-F39 VanDerWaalsContact CE1-CD2 3.49Å; H36-F39 WeakPolarHBondContact CE1-CD2 3.32Å; H36-F39 AromaticContact CE1-CE2 3.44Å; H36-F39 VanDerWaalsContact CE1-CE2 3.44Å; H36-F39 WeakPolarHBondContact CE1-CE2 3.46Å; H36-F39 AromaticContact CG-CD2 3.58Å; H36-F39 AromaticContact CG-CE2 3.9Å; H36-F39 AromaticContact ND1-CD2 3.07Å; H36-F39 WeakPolarHBondContact ND1-CD2 3.29Å; H36-F39 AromaticContact ND1-CE2 3.5Å; H36-F39 AromaticContact ND1-CG 3.74Å; H36-F39 PolarHBondContact ND1-N 2.82Å; H36-F39 AromaticContact NE2-CE2 3.81Å; H36-F39 PolarHBondContact O-N 3.03Å; F39-R43 HydrophobicContact CD2-CB 4.14Å; F39-R43 HydrophobicContact CG-CB 4.19Å; F39-R44 HydrophobicContact CB-CB 3.95Å; F39-R44 WeakPolarHBondContact O-CB 3.44Å | ||
| 40 | N | 83.7 | Confident | 91.3 | Very high | 96 Ų | 96 | 45.2 Ų | 45.2 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -105.3 | 3.2 | 174.2 | -51.5 | -58.5 | 0 | 0 | 0 | 112.3 | R44 K115 | N40-R44 PolarHBondContact O-NH2 2.88Å; N40-K115 PolarHBondContact OD1-NZ 2.77Å |
| 41 | D | 86.6 | Confident | 90.8 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 34% | 0.337 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -110.1 | -175 | 174.7 | 59.4 | 46.8 | 0 | 0 | 0 | 110.6 | R43 R44 | D41-R43 PolarHBondContact O-N 2.82Å; D41-R43 VanDerWaalsContact O-N 3.11Å; D41-R43 WeakPolarHBondContact OD1-CB 3.3Å; D41-R43 VanDerWaalsContact OD1-CG 3.24Å; D41-R43 WeakPolarHBondContact OD1-CG 3.39Å; D41-R43 IonicContact OD1-CZ 3.8Å; D41-R43 PolarHBondContact OD1-N 2.89Å; D41-R43 IonicContact OD1-NE 2.74Å; D41-R43 PolarHBondContact OD1-NE 3.41Å; D41-R43 IonicContact OD1-NH2 3.23Å; D41-R43 IonicContact OD2-CZ 2.88Å; D41-R43 VanDerWaalsContact OD2-CZ 3.29Å; D41-R43 IonicContact OD2-NE 3.82Å; D41-R43 PolarHBondContact OD2-NE 2.85Å; D41-R43 VanDerWaalsContact OD2-NE 3.1Å; D41-R43 IonicContact OD2-NH2 2.71Å; D41-R43 PolarHBondContact OD2-NH2 3.01Å; D41-R44 VanDerWaalsContact O-CB 3.26Å; D41-R44 WeakPolarHBondContact O-CB 3.13Å; D41-R44 WeakPolarHBondContact O-CG 3.49Å; D41-R44 PolarHBondContact O-N 2.93Å; D41-R44 PolarHBondContact O-NE 2.81Å |
| 42 | D | 85.4 | Confident | 90.3 | Very high | 106 Ų | 106 | 46.5 Ų | 46.5 | 57% | 0.567 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -62.9 | -17.4 | -174.7 | -59.4 | -39.7 | 0 | 0 | 0 | 114 | R44 F45 | D42-R44 PolarHBondContact O-N 3.13Å; D42-R44 VanDerWaalsContact O-N 3.08Å; D42-F45 WeakPolarHBondContact O-CD2 3.37Å; D42-F45 PolarHBondContact O-N 2.69Å |
| 43 | R | 88.8 | Confident | 89.4 | Confident | 142 Ų | 142 | 52.9 Ų | 52.9 | 54% | 0.536 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -63.9 | -13.6 | 173.6 | -57.5 | 176.1 | -70.4 | 173.5 | -5.4 | 112.8 | R17 F39 D41 F45 | R17-R43 PolarHBondContact NH1-O 2.87Å; F39-R43 HydrophobicContact CD2-CB 4.14Å; F39-R43 HydrophobicContact CG-CB 4.19Å; D41-R43 PolarHBondContact O-N 2.82Å; D41-R43 VanDerWaalsContact O-N 3.11Å; D41-R43 WeakPolarHBondContact OD1-CB 3.3Å; D41-R43 VanDerWaalsContact OD1-CG 3.24Å; D41-R43 WeakPolarHBondContact OD1-CG 3.39Å; D41-R43 IonicContact OD1-CZ 3.8Å; D41-R43 PolarHBondContact OD1-N 2.89Å; D41-R43 IonicContact OD1-NE 2.74Å; D41-R43 PolarHBondContact OD1-NE 3.41Å; D41-R43 IonicContact OD1-NH2 3.23Å; D41-R43 IonicContact OD2-CZ 2.88Å; D41-R43 VanDerWaalsContact OD2-CZ 3.29Å; D41-R43 IonicContact OD2-NE 3.82Å; D41-R43 PolarHBondContact OD2-NE 2.85Å; D41-R43 VanDerWaalsContact OD2-NE 3.1Å; D41-R43 IonicContact OD2-NH2 2.71Å; D41-R43 PolarHBondContact OD2-NH2 3.01Å; R43-F45 PolarHBondContact O-N 3.41Å |
| 44 | R | 91.2 | Very high | 88.2 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -61.2 | -26.8 | 171.3 | 79.7 | 179.8 | 93.8 | 149.5 | -22.7 | 112.5 | M35 H36 F39 N40 D41 D42 E117 N119 | M35-R44 CarbonylContact C-O 3.58Å; M35-R44 WeakPolarHBondContact CA-O 3.44Å; M35-R44 HydrophobicContact CG-CB 3.82Å; M35-R44 HydrophobicContact CG-CG 3.71Å; M35-R44 VanDerWaalsContact CG-O 3.32Å; M35-R44 WeakPolarHBondContact CG-O 3.42Å; M35-R44 HydrophobicContact SD-CB 4.29Å; M35-R44 WeakPolarHBondContact SD-CD 3.1Å; M35-R44 HydrophobicContact SD-CG 3.81Å; H36-R44 PolarHBondContact N-O 3.42Å; F39-R44 HydrophobicContact CB-CB 3.95Å; F39-R44 WeakPolarHBondContact O-CB 3.44Å; N40-R44 PolarHBondContact O-NH2 2.88Å; D41-R44 VanDerWaalsContact O-CB 3.26Å; D41-R44 WeakPolarHBondContact O-CB 3.13Å; D41-R44 WeakPolarHBondContact O-CG 3.49Å; D41-R44 PolarHBondContact O-N 2.93Å; D41-R44 PolarHBondContact O-NE 2.81Å; D42-R44 PolarHBondContact O-N 3.13Å; D42-R44 VanDerWaalsContact O-N 3.08Å; R44-E117 IonicContact CZ-OE2 3.86Å; R44-E117 VanDerWaalsContact CZ-OE2 3.27Å; R44-E117 IonicContact NH1-OE2 3.87Å; R44-E117 PolarHBondContact NH1-OE2 3.41Å; R44-E117 IonicContact NH2-OE2 2.67Å; R44-E117 PolarHBondContact NH2-OE2 3.16Å; R44-N119 PolarHBondContact NH1-O 3.4Å |
| 45 | F | 93.6 | Very high | 87.5 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 4% | 0.044 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -90.3 | 157.9 | -177.7 | -59 | -69.2 | 0 | 0 | 0 | 111.3 | M35 D42 R43 F48 A76 Y79 | M35-F45 HydrophobicContact CE-CD1 4.38Å; M35-F45 HydrophobicContact CE-CE1 3.67Å; M35-F45 HydrophobicContact CE-CZ 4.39Å; M35-F45 HydrophobicContact CG-CD1 4.44Å; M35-F45 HydrophobicContact SD-CE1 4.27Å; D42-F45 WeakPolarHBondContact O-CD2 3.37Å; D42-F45 PolarHBondContact O-N 2.69Å; R43-F45 PolarHBondContact O-N 3.41Å; F45-F48 HydrophobicContact CB-CE2 4.15Å; F45-A76 HydrophobicContact CD1-CB 3.85Å; F45-A76 HydrophobicContact CE1-CB 4.41Å; F45-Y79 AromaticContact CD1-CD1 3.8Å; F45-Y79 HydrophobicContact CD1-CD1 3.8Å; F45-Y79 HydrophobicContact CD1-CD2 4.47Å; F45-Y79 HydrophobicContact CD1-CE1 4.16Å; F45-Y79 AromaticContact CD1-CG 3.99Å; F45-Y79 HydrophobicContact CD1-CG 3.99Å; F45-Y79 HydrophobicContact CD2-CE1 4.25Å; F45-Y79 HydrophobicContact CD2-CE2 4.35Å; F45-Y79 AromaticContact CE1-CD1 3.83Å; F45-Y79 HydrophobicContact CE1-CD1 3.83Å; F45-Y79 AromaticContact CE1-CD2 3.75Å; F45-Y79 HydrophobicContact CE1-CD2 3.75Å; F45-Y79 HydrophobicContact CE1-CE1 4.36Å; F45-Y79 HydrophobicContact CE1-CE2 4.28Å; F45-Y79 AromaticContact CE1-CG 3.51Å; F45-Y79 HydrophobicContact CE1-CG 3.51Å; F45-Y79 HydrophobicContact CE2-CD2 4.05Å; F45-Y79 HydrophobicContact CE2-CE1 4.46Å; F45-Y79 AromaticContact CE2-CE2 3.81Å; F45-Y79 HydrophobicContact CE2-CE2 3.81Å; F45-Y79 HydrophobicContact CE2-CG 4.49Å; F45-Y79 HydrophobicContact CG-CD1 4.22Å; F45-Y79 HydrophobicContact CG-CE1 4.1Å; F45-Y79 HydrophobicContact CZ-CD1 4.29Å; F45-Y79 AromaticContact CZ-CD2 3.5Å; F45-Y79 HydrophobicContact CZ-CD2 3.5Å; F45-Y79 VanDerWaalsContact CZ-CD2 3.5Å; F45-Y79 AromaticContact CZ-CE2 3.76Å; F45-Y79 HydrophobicContact CZ-CE2 3.76Å; F45-Y79 AromaticContact CZ-CG 3.8Å; F45-Y79 HydrophobicContact CZ-CG 3.8Å |
| 46 | P | 93.7 | Very high | 86.9 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 4% | 0.039 | 35% | 0.354 | C | S | . | . | trans | -60.3 | 156.8 | 164.3 | -20.6 | 33 | 0 | 0 | 0 | 111.7 | L9 R17 C19 G34 F48 | L9-P46 HydrophobicContact CB-CB 4.43Å; R17-P46 HydrophobicContact CB-CG 4.41Å; C19-P46 HydrophobicContact CB-CB 3.5Å; C19-P46 HydrophobicContact CB-CG 3.51Å; G34-P46 VanDerWaalsContact O-CD 3.31Å; G34-P46 WeakPolarHBondContact O-CD 3.49Å; P46-F48 HydrophobicContact CB-CD1 4.31Å; P46-F48 HydrophobicContact CB-CE1 3.84Å; P46-F48 HydrophobicContact CB-CZ 3.98Å; P46-F48 HydrophobicContact CG-CE1 4Å; P46-F48 HydrophobicContact CG-CE2 4.48Å; P46-F48 HydrophobicContact CG-CZ 3.76Å; P46-F48 WeakPolarHBondContact O-CD2 3.44Å; P46-F48 PolarHBondContact O-N 2.99Å | ||
| 47 | D | 92.4 | Very high | 86.6 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | trans | -74.5 | 89.2 | 174.3 | -174.3 | 5 | 0 | 0 | 0 | 111.2 | L9 S49 | L9-D47 PolarHBondContact O-N 3.34Å; D47-S49 PolarHBondContact O-N 3.27Å; D47-S49 WeakPolarHBondContact OD1-CB 3.16Å; D47-S49 PolarHBondContact OD1-N 2.77Å; D47-S49 PolarHBondContact OD1-OG 2.99Å; D47-S49 PolarHBondContact OD2-OG 3.07Å | ||
| 48 | F | 90.9 | Very high | 86.5 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 7% | 0.066 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -7.4 | 174.3 | -56.4 | -55 | 0 | 0 | 0 | 113.4 | F45 P46 Y50 I51 T52 A76 Y79 F80 V84 | F45-F48 HydrophobicContact CB-CE2 4.15Å; P46-F48 HydrophobicContact CB-CD1 4.31Å; P46-F48 HydrophobicContact CB-CE1 3.84Å; P46-F48 HydrophobicContact CB-CZ 3.98Å; P46-F48 HydrophobicContact CG-CE1 4Å; P46-F48 HydrophobicContact CG-CE2 4.48Å; P46-F48 HydrophobicContact CG-CZ 3.76Å; P46-F48 WeakPolarHBondContact O-CD2 3.44Å; P46-F48 PolarHBondContact O-N 2.99Å; F48-Y50 PolarHBondContact O-N 2.74Å; F48-I51 HydrophobicContact CB-CD1 4.39Å; F48-I51 HydrophobicContact CB-CG1 4.24Å; F48-I51 HydrophobicContact CD1-CD1 3.88Å; F48-I51 WeakPolarHBondContact O-CG1 3.47Å; F48-I51 PolarHBondContact O-N 3.15Å; F48-I51 VanDerWaalsContact O-N 3.08Å; F48-T52 WeakPolarHBondContact O-CG2 3.13Å; F48-T52 PolarHBondContact O-N 3.1Å; F48-T52 VanDerWaalsContact O-N 3.09Å; F48-T52 PolarHBondContact O-OG1 2.92Å; F48-A76 HydrophobicContact CZ-CB 4.46Å; F48-Y79 HydrophobicContact CD2-CD1 4.45Å; F48-Y79 HydrophobicContact CD2-CE1 4.02Å; F48-Y79 AromaticContact CE2-CD1 3.86Å; F48-Y79 HydrophobicContact CE2-CD1 3.86Å; F48-Y79 AromaticContact CE2-CE1 3.86Å; F48-Y79 HydrophobicContact CE2-CE1 3.86Å; F48-F80 AromaticContact CD1-CD2 3.81Å; F48-F80 HydrophobicContact CD1-CD2 3.81Å; F48-F80 HydrophobicContact CD1-CE2 4.19Å; F48-F80 HydrophobicContact CE1-CB 4.4Å; F48-F80 AromaticContact CE1-CD2 3.49Å; F48-F80 HydrophobicContact CE1-CD2 3.49Å; F48-F80 VanDerWaalsContact CE1-CD2 3.49Å; F48-F80 HydrophobicContact CE1-CE2 4.15Å; F48-F80 HydrophobicContact CE1-CG 4.19Å; F48-F80 HydrophobicContact CE2-CB 4.45Å; F48-F80 HydrophobicContact CE2-CD2 4.45Å; F48-F80 HydrophobicContact CG-CD2 4.4Å; F48-F80 HydrophobicContact CZ-CB 3.94Å; F48-F80 AromaticContact CZ-CD2 3.85Å; F48-F80 HydrophobicContact CZ-CD2 3.85Å; F48-F80 HydrophobicContact CZ-CG 4.23Å; F48-V84 HydrophobicContact CD2-CG2 4.17Å |
| 49 | S | 89.1 | Confident | 86.5 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -27.5 | -178.9 | 77.3 | 0 | 0 | 0 | 0 | 112.4 | D47 I51 Q53 | D47-S49 PolarHBondContact O-N 3.27Å; D47-S49 WeakPolarHBondContact OD1-CB 3.16Å; D47-S49 PolarHBondContact OD1-N 2.77Å; D47-S49 PolarHBondContact OD1-OG 2.99Å; D47-S49 PolarHBondContact OD2-OG 3.07Å; S49-I51 VanDerWaalsContact C-N 3.29Å; S49-I51 PolarHBondContact O-N 3.35Å; S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.26Å; S49-Q53 PolarHBondContact O-NE2 3.49Å |
| 50 | Y | 86.6 | Confident | 86.6 | Confident | 83 Ų | 83 | 66.8 Ų | 66.8 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.2 | -29.9 | 176 | -169.6 | -104.7 | 0 | 0 | 0 | 113.5 | R5 T7 L9 L21 F48 | R5-Y50 PolarHBondContact NH1-OH 2.81Å; R5-Y50 PolarHBondContact NH2-OH 3.05Å; T7-Y50 HydrophobicContact CG2-CD1 4.39Å; T7-Y50 HydrophobicContact CG2-CE1 4.2Å; L9-Y50 HydrophobicContact CD2-CD1 4.02Å; L9-Y50 HydrophobicContact CD2-CG 4.16Å; L21-Y50 HydrophobicContact CD2-CD1 4.08Å; L21-Y50 HydrophobicContact CD2-CE1 3.95Å; F48-Y50 PolarHBondContact O-N 2.74Å |
| 51 | I | 87 | Confident | 87 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -103.9 | -26.3 | -173 | 59.1 | 171.1 | 0 | 0 | 0 | 113.1 | L9 L21 M30 F48 S49 L57 F60 L61 F80 | L9-I51 HydrophobicContact CD1-CG2 3.94Å; L21-I51 HydrophobicContact CD2-CG2 4.13Å; M30-I51 HydrophobicContact SD-CD1 4.41Å; F48-I51 HydrophobicContact CB-CD1 4.39Å; F48-I51 HydrophobicContact CB-CG1 4.24Å; F48-I51 HydrophobicContact CD1-CD1 3.88Å; F48-I51 WeakPolarHBondContact O-CG1 3.47Å; F48-I51 PolarHBondContact O-N 3.15Å; F48-I51 VanDerWaalsContact O-N 3.08Å; S49-I51 VanDerWaalsContact C-N 3.29Å; S49-I51 PolarHBondContact O-N 3.35Å; I51-L57 HydrophobicContact CB-CD2 4.08Å; I51-L57 HydrophobicContact CD1-CD2 3.82Å; I51-L57 HydrophobicContact CG1-CD2 3.74Å; I51-F60 HydrophobicContact CB-CD1 4.07Å; I51-F60 HydrophobicContact CB-CE1 4.16Å; I51-F60 HydrophobicContact CG2-CD1 4.08Å; I51-F60 HydrophobicContact CG2-CE1 3.68Å; I51-L61 HydrophobicContact CD1-CD1 3.94Å; I51-F80 HydrophobicContact CD1-CE2 3.77Å |
| 52 | T | 85.6 | Confident | 87.2 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 37% | 0.368 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -76.4 | -18.6 | 178.9 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | F48 N54 L57 V84 | F48-T52 WeakPolarHBondContact O-CG2 3.13Å; F48-T52 PolarHBondContact O-N 3.1Å; F48-T52 VanDerWaalsContact O-N 3.09Å; F48-T52 PolarHBondContact O-OG1 2.92Å; T52-N54 PolarHBondContact O-N 3.09Å; T52-L57 HydrophobicContact CG2-CD2 3.94Å; T52-L57 HydrophobicContact CG2-CG 4.46Å; T52-V84 HydrophobicContact CG2-CG1 3.59Å |
| 53 | Q | 80.3 | Confident | 87.6 | Confident | 148 Ų | 148 | 55.6 Ų | 55.6 | 69% | 0.692 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.6 | 176.2 | -75 | 169.6 | 41.1 | 0 | 0 | 113.6 | S49 G55 | S49-Q53 VanDerWaalsContact O-CG 3.31Å; S49-Q53 WeakPolarHBondContact O-CG 3.26Å; S49-Q53 PolarHBondContact O-NE2 3.49Å; Q53-G55 PolarHBondContact O-N 3.31Å |
| 54 | N | 70.1 | Confident | 88 | Confident | 94 Ų | 94 | 48.8 Ų | 48.8 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 11.3 | -170.4 | -63.5 | -16.5 | 0 | 0 | 0 | 114.1 | T52 F60 | T52-N54 PolarHBondContact O-N 3.09Å; N54-F60 HydrophobicContact CB-CB 4.43Å; N54-F60 HydrophobicContact CB-CD2 3.97Å; N54-F60 HydrophobicContact CB-CG 4.29Å; N54-F60 VanDerWaalsContact ND2-CD2 3.26Å; N54-F60 WeakPolarHBondContact ND2-CD2 3.36Å; N54-F60 WeakPolarHBondContact ND2-CE2 3Å |
| 55 | G | 80.8 | Confident | 88.2 | Confident | 52 Ų | 52 | 48.6 Ų | 48.6 | 54% | 0.536 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 100.9 | -136.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q53 L57 | Q53-G55 PolarHBondContact O-N 3.31Å; G55-L57 PolarHBondContact O-N 2.71Å |
| 56 | R | 83.5 | Confident | 88.4 | Confident | 160 Ų | 160 | 48.1 Ų | 48.1 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | trans | -69.9 | 131.9 | 178.7 | -62 | 179.9 | 65.5 | 165.8 | -2.3 | 110 | T58 D59 F60 | R56-T58 PolarHBondContact O-N 3.19Å; R56-D59 HydrophobicContact CB-CB 4.46Å; R56-D59 WeakPolarHBondContact CB-OD2 3.31Å; R56-D59 PolarHBondContact O-N 2.88Å; R56-F60 PolarHBondContact O-N 2.87Å | ||
| 57 | L | 87.4 | Confident | 88.5 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.4 | -37.3 | 178.3 | -71.1 | -178 | 0 | 0 | 0 | 113.3 | I51 T52 G55 D59 F60 L61 F80 V84 Y86 | I51-L57 HydrophobicContact CB-CD2 4.08Å; I51-L57 HydrophobicContact CD1-CD2 3.82Å; I51-L57 HydrophobicContact CG1-CD2 3.74Å; T52-L57 HydrophobicContact CG2-CD2 3.94Å; T52-L57 HydrophobicContact CG2-CG 4.46Å; G55-L57 PolarHBondContact O-N 2.71Å; L57-D59 PolarHBondContact O-N 3.1Å; L57-F60 PolarHBondContact O-N 2.9Å; L57-L61 WeakPolarHBondContact O-CB 3.39Å; L57-L61 PolarHBondContact O-N 3.28Å; L57-F80 HydrophobicContact CD1-CD2 4.24Å; L57-F80 HydrophobicContact CD1-CE2 3.6Å; L57-F80 HydrophobicContact CD1-CZ 4.09Å; L57-V84 HydrophobicContact CD1-CB 3.97Å; L57-V84 HydrophobicContact CD1-CG1 3.62Å; L57-Y86 HydrophobicContact CB-CD2 4.04Å |
| 58 | T | 85.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 48 Ų | 48 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.3 | -23.8 | 178.1 | -43.7 | 0 | 0 | 0 | 0 | 113.5 | R56 D87 | R56-T58 PolarHBondContact O-N 3.19Å; T58-D87 PolarHBondContact OG1-N 3.16Å; T58-D87 VanDerWaalsContact OG1-N 3.1Å |
| 59 | D | 86.6 | Confident | 88.9 | Confident | 127 Ų | 127 | 50.5 Ų | 50.5 | 68% | 0.679 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -83.2 | -26.1 | 177.4 | -57.7 | -19.3 | 0 | 0 | 0 | 111 | R56 L57 | R56-D59 HydrophobicContact CB-CB 4.46Å; R56-D59 WeakPolarHBondContact CB-OD2 3.31Å; R56-D59 PolarHBondContact O-N 2.88Å; L57-D59 PolarHBondContact O-N 3.1Å |
| 60 | F | 89.6 | Confident | 89.3 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -91.5 | -35.2 | 177.7 | -176.6 | -102.1 | 0 | 0 | 0 | 113.8 | L21 N28 I51 N54 R56 L57 | L21-F60 HydrophobicContact CD1-CE1 4.37Å; L21-F60 HydrophobicContact CD2-CE1 3.9Å; L21-F60 HydrophobicContact CD2-CZ 4.13Å; N28-F60 WeakPolarHBondContact CB-O 3.16Å; N28-F60 VanDerWaalsContact ND2-CE2 3.28Å; N28-F60 WeakPolarHBondContact ND2-CE2 3.18Å; N28-F60 WeakPolarHBondContact ND2-CZ 3.37Å; N28-F60 PolarHBondContact ND2-O 3.41Å; I51-F60 HydrophobicContact CB-CD1 4.07Å; I51-F60 HydrophobicContact CB-CE1 4.16Å; I51-F60 HydrophobicContact CG2-CD1 4.08Å; I51-F60 HydrophobicContact CG2-CE1 3.68Å; N54-F60 HydrophobicContact CB-CB 4.43Å; N54-F60 HydrophobicContact CB-CD2 3.97Å; N54-F60 HydrophobicContact CB-CG 4.29Å; N54-F60 VanDerWaalsContact ND2-CD2 3.26Å; N54-F60 WeakPolarHBondContact ND2-CD2 3.36Å; N54-F60 WeakPolarHBondContact ND2-CE2 3Å; R56-F60 PolarHBondContact O-N 2.87Å; L57-F60 PolarHBondContact O-N 2.9Å |
| 61 | L | 91.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | trans | -108.9 | 114.1 | -176.2 | -72.9 | 175.6 | 0 | 0 | 0 | 112.1 | L21 N28 M30 I51 L57 F80 Y86 | L21-L61 HydrophobicContact CD1-CD2 3.62Å; N28-L61 HydrophobicContact CB-CD2 4.19Å; M30-L61 HydrophobicContact CB-CD1 4.47Å; M30-L61 HydrophobicContact CB-CD2 4.2Å; M30-L61 HydrophobicContact SD-CD1 4.01Å; I51-L61 HydrophobicContact CD1-CD1 3.94Å; L57-L61 WeakPolarHBondContact O-CB 3.39Å; L57-L61 PolarHBondContact O-N 3.28Å; L61-F80 HydrophobicContact CD1-CE2 4.21Å; L61-F80 HydrophobicContact CD1-CZ 3.59Å; L61-Y86 HydrophobicContact CB-CD2 4.36Å; L61-Y86 HydrophobicContact CB-CE2 3.71Å; L61-Y86 HydrophobicContact CD1-CD2 4.49Å; L61-Y86 HydrophobicContact CD1-CE2 4.48Å | ||
| 62 | D | 91.2 | Very high | 90.1 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -70.4 | -38.3 | -177.8 | -78.2 | -75.4 | 0 | 0 | 0 | 113.6 | K27 N28 F146 | K27-D62 WeakPolarHBondContact CA-OD2 3.16Å; K27-D62 HydrophobicContact CD-CB 4.45Å; K27-D62 WeakPolarHBondContact CD-OD1 3.38Å; K27-D62 WeakPolarHBondContact CD-OD2 3.16Å; K27-D62 WeakPolarHBondContact CE-OD1 3.34Å; K27-D62 IonicContact NZ-OD1 3.55Å; K27-D62 PolarHBondContact NZ-OD1 3.27Å; K27-D62 IonicContact NZ-OD2 3.4Å; N28-D62 PolarHBondContact N-OD2 3.45Å; N28-D62 WeakPolarHBondContact O-CB 3.09Å; N28-D62 PolarHBondContact O-N 2.99Å; D62-F146 HydrophobicContact CB-CD1 3.75Å; D62-F146 HydrophobicContact CB-CE1 3.46Å; D62-F146 VanDerWaalsContact CB-CE1 3.46Å; D62-F146 HydrophobicContact CB-CZ 4.2Å; D62-F146 WeakPolarHBondContact OD1-CD1 3.33Å; D62-F146 WeakPolarHBondContact OD1-CG 3.15Å |
| 63 | C | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 160.8 | 172.2 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | M30 Y86 P89 Y91 V144 | M30-C63 PolarHBondContact N-O 3.47Å; C63-Y86 WeakPolarHBondContact CA-OH 3.44Å; C63-P89 HydrophobicContact CB-CG 4.05Å; C63-Y91 HydrophobicContact CB-CD2 3.93Å; C63-Y91 HydrophobicContact CB-CE2 3.68Å; C63-V144 HydrophobicContact CB-CG1 4.22Å |
| 64 | V | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.1 | 168.4 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | M30 I66 L77 F80 Y86 P89 I90 Y91 | M30-V64 HydrophobicContact CB-CG1 4.46Å; M30-V64 HydrophobicContact CB-CG2 4.22Å; M30-V64 HydrophobicContact CE-CG1 3.93Å; M30-V64 HydrophobicContact CE-CG2 3.9Å; M30-V64 CarbonylContact O-C 3.59Å; M30-V64 WeakPolarHBondContact O-CA 3.15Å; V64-I66 HydrophobicContact CG1-CD1 3.88Å; V64-L77 HydrophobicContact CG1-CD1 4.33Å; V64-F80 HydrophobicContact CG2-CE1 3.86Å; V64-Y86 HydrophobicContact CB-CE1 4.45Å; V64-Y86 HydrophobicContact CG2-CD1 4.09Å; V64-Y86 HydrophobicContact CG2-CE1 3.48Å; V64-Y86 VanDerWaalsContact CG2-CE1 3.48Å; V64-P89 PolarHBondContact N-O 3.12Å; V64-P89 VanDerWaalsContact N-O 3.07Å; V64-I90 HydrophobicContact CB-CG1 4.23Å; V64-I90 HydrophobicContact CB-CG2 4.43Å; V64-I90 CarbonylContact O-C 3.55Å; V64-I90 WeakPolarHBondContact O-CA 3.46Å; V64-Y91 PolarHBondContact O-N 2.8Å |
| 65 | I | 96.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.4 | 179.6 | -54.4 | 179.8 | 0 | 0 | 0 | 108.7 | V29 M30 L31 D32 Y91 W174 L280 | V29-I65 HydrophobicContact CG1-CD1 3.52Å; V29-I65 HydrophobicContact CG1-CG1 3.93Å; M30-I65 PolarHBondContact O-N 2.89Å; L31-I65 HydrophobicContact CD2-CB 4.06Å; L31-I65 HydrophobicContact CD2-CD1 4.08Å; L31-I65 HydrophobicContact CD2-CG1 4.46Å; D32-I65 PolarHBondContact N-O 2.94Å; I65-Y91 WeakPolarHBondContact CA-O 3.07Å; I65-W174 HydrophobicContact CG2-CD2 4.34Å; I65-W174 HydrophobicContact CG2-CE3 4.09Å; I65-W174 HydrophobicContact CG2-CH2 3.09Å; I65-W174 HydrophobicContact CG2-CZ2 3.35Å; I65-W174 HydrophobicContact CG2-CZ3 3.47Å; I65-W174 VanDerWaalsContact CG2-CZ3 3.47Å; I65-L280 HydrophobicContact CD1-CD1 3.65Å; I65-L280 HydrophobicContact CD1-CD2 3.66Å; I65-L280 HydrophobicContact CD1-CG 4.26Å; I65-L280 HydrophobicContact CG1-CD1 4.17Å |
| 66 | I | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -105 | 126.8 | 178.5 | -50.8 | -56.8 | 0 | 0 | 0 | 110.2 | D32 C33 V64 H68 C74 L77 I90 Y91 M92 T96 | D32-I66 WeakPolarHBondContact OD1-CA 3.41Å; C33-I66 HydrophobicContact CB-CD1 4.3Å; V64-I66 HydrophobicContact CG1-CD1 3.88Å; I66-H68 WeakPolarHBondContact CG2-O 3.48Å; I66-C74 HydrophobicContact CG2-CB 4.01Å; I66-L77 HydrophobicContact CD1-CD1 4.12Å; I66-L77 HydrophobicContact CD1-CD2 4.46Å; I66-L77 HydrophobicContact CG1-CD2 4.24Å; I66-I90 HydrophobicContact CG1-CG2 4.01Å; I66-Y91 PolarHBondContact N-O 2.81Å; I66-M92 HydrophobicContact CB-CB 4.02Å; I66-M92 HydrophobicContact CB-CE 4.42Å; I66-M92 HydrophobicContact CG1-CE 4.07Å; I66-T96 HydrophobicContact CG2-CG2 4.2Å | ||
| 67 | S | 95 | Very high | 93.9 | Very high | 33 Ų | 33 | 28.8 Ų | 28.8 | 23% | 0.231 | 15% | 0.147 | C | C | . | . | trans | -70.5 | -57.1 | 178.9 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | D32 H73 | D32-S67 VanDerWaalsContact CG-OG 3.27Å; D32-S67 PolarHBondContact OD1-N 2.67Å; D32-S67 PolarHBondContact OD1-OG 2.6Å; D32-S67 WeakPolarHBondContact OD2-CB 3.47Å; D32-S67 PolarHBondContact OD2-OG 2.91Å; S67-H73 PolarHBondContact OG-ND1 3.21Å | ||
| 68 | H | 96.4 | Very high | 94.3 | Very high | 57 Ų | 57 | 28.6 Ų | 28.6 | 26% | 0.264 | 15% | 0.146 | S | C | . | . | trans | -152.6 | 178.5 | -175.7 | 67 | -67.7 | 0 | 0 | 0 | 112.3 | I66 H70 H73 | I66-H68 WeakPolarHBondContact CG2-O 3.48Å; H68-H70 AromaticContact CD2-CE1 3.83Å; H68-H70 AromaticContact CD2-CG 3.49Å; H68-H70 VanDerWaalsContact CD2-CG 3.49Å; H68-H70 AromaticContact CD2-ND1 3.23Å; H68-H70 PolarHBondContact CD2-ND1 3.41Å; H68-H70 AromaticContact NE2-CE1 3.85Å; H68-H70 AromaticContact NE2-CG 3.55Å; H68-H70 AromaticContact NE2-ND1 2.99Å; H68-H70 PolarHBondContact NE2-ND1 3.44Å; H68-H73 AromaticContact CE1-CD2 3.16Å; H68-H73 PolarHBondContact CE1-CD2 3.46Å; H68-H73 AromaticContact CE1-CE1 3.73Å; H68-H73 AromaticContact CE1-CG 3.41Å; H68-H73 VanDerWaalsContact CE1-CG 3.41Å; H68-H73 AromaticContact CE1-ND1 3.75Å; H68-H73 AromaticContact CE1-NE2 3.4Å; H68-H73 PolarHBondContact CE1-NE2 2.76Å; H68-H73 AromaticContact ND1-CD2 3.94Å; H68-H73 AromaticContact ND1-CG 3.72Å; H68-H73 AromaticContact ND1-ND1 3.99Å; H68-H73 AromaticContact NE2-CD2 3.71Å | ||
| 69 | F | 95.8 | Very high | 94.7 | Very high | 67 Ų | 67 | 29.2 Ų | 29.2 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -89 | 2.1 | -165.8 | 58.5 | -106.4 | 0 | 0 | 0 | 115.3 | C74 T96 I99 L103 | F69-C74 PolarHBondContact O-SG 3.17Å; F69-C74 VanDerWaalsContact O-SG 3.38Å; F69-T96 HydrophobicContact CB-CG2 4.17Å; F69-I99 HydrophobicContact CB-CB 4.27Å; F69-I99 HydrophobicContact CB-CG2 4.03Å; F69-I99 HydrophobicContact CD1-CB 4.36Å; F69-I99 HydrophobicContact CD1-CD1 4Å; F69-I99 HydrophobicContact CD1-CG2 4.25Å; F69-I99 HydrophobicContact CD2-CG2 3.92Å; F69-I99 HydrophobicContact CE1-CD1 3.96Å; F69-I99 HydrophobicContact CE2-CG2 4.47Å; F69-I99 HydrophobicContact CG-CB 4.24Å; F69-I99 HydrophobicContact CG-CG2 3.79Å; F69-L103 HydrophobicContact CB-CD1 4.2Å; F69-L103 HydrophobicContact CD2-CD1 3.48Å; F69-L103 VanDerWaalsContact CD2-CD1 3.48Å; F69-L103 HydrophobicContact CE2-CD1 4.28Å; F69-L103 HydrophobicContact CG-CD1 4.21Å; F69-L103 VanDerWaalsContact O-CD1 3.26Å; F69-L103 WeakPolarHBondContact O-CD1 3.43Å |
| 70 | H | 96.6 | Very high | 95.1 | Very high | 91 Ų | 91 | 23.2 Ų | 23.2 | 42% | 0.421 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -70.2 | 149.1 | 178.5 | -61.9 | 158.2 | 0 | 0 | 0 | 111.4 | H68 D72 H73 C74 | H68-H70 AromaticContact CD2-CE1 3.83Å; H68-H70 AromaticContact CD2-CG 3.49Å; H68-H70 VanDerWaalsContact CD2-CG 3.49Å; H68-H70 AromaticContact CD2-ND1 3.23Å; H68-H70 PolarHBondContact CD2-ND1 3.41Å; H68-H70 AromaticContact NE2-CE1 3.85Å; H68-H70 AromaticContact NE2-CG 3.55Å; H68-H70 AromaticContact NE2-ND1 2.99Å; H68-H70 PolarHBondContact NE2-ND1 3.44Å; H70-D72 WeakPolarHBondContact CB-OD1 3.5Å; H70-D72 PolarHBondContact O-N 2.77Å; H70-H73 PolarHBondContact O-N 2.97Å; H70-C74 PolarHBondContact O-N 3.09Å; H70-C74 PolarHBondContact O-SG 3.08Å; H70-C74 VanDerWaalsContact O-SG 3.37Å |
| 71 | L | 95.6 | Very high | 95.4 | Very high | 32 Ų | 32 | 21.3 Ų | 21.3 | 17% | 0.168 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.6 | -25.1 | -172.2 | -64.8 | 173.2 | 0 | 0 | 0 | 112.9 | G34 M35 M37 H73 G75 L104 Y107 | G34-L71 CarbonylContact C-O 3.32Å; G34-L71 WeakPolarHBondContact CA-O 3.07Å; M35-L71 PolarHBondContact N-O 3.19Å; M37-L71 HydrophobicContact CE-CB 4.49Å; M37-L71 HydrophobicContact CE-CD1 3.57Å; M37-L71 HydrophobicContact SD-CB 3.67Å; M37-L71 HydrophobicContact SD-CD1 3.86Å; M37-L71 HydrophobicContact SD-CG 4.43Å; L71-H73 PolarHBondContact O-N 2.97Å; L71-G75 WeakPolarHBondContact O-CA 3.32Å; L71-G75 PolarHBondContact O-N 3.41Å; L71-L104 HydrophobicContact CD2-CD2 4.31Å; L71-Y107 HydrophobicContact CD1-CD1 4.06Å; L71-Y107 HydrophobicContact CD1-CD2 3.99Å; L71-Y107 HydrophobicContact CD1-CG 3.72Å; L71-Y107 HydrophobicContact CD2-CD1 4.16Å; L71-Y107 HydrophobicContact CD2-CG 4.35Å |
| 72 | D | 95.9 | Very high | 95.5 | Very high | 44 Ų | 44 | 24.2 Ų | 24.2 | 24% | 0.235 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.4 | -3 | 169.5 | 56.9 | -34.4 | 0 | 0 | 0 | 114.5 | S18 G34 M35 H70 | S18-D72 WeakPolarHBondContact CB-O 3.36Å; S18-D72 PolarHBondContact N-O 2.92Å; S18-D72 PolarHBondContact OG-O 3.2Å; S18-D72 VanDerWaalsContact OG-O 3.1Å; G34-D72 VanDerWaalsContact CA-O 3.29Å; G34-D72 WeakPolarHBondContact CA-O 3.09Å; M35-D72 WeakPolarHBondContact O-CA 3.4Å; H70-D72 WeakPolarHBondContact CB-OD1 3.5Å; H70-D72 PolarHBondContact O-N 2.77Å |
| 73 | H | 96.8 | Very high | 95.5 | Very high | 33 Ų | 33 | 27.3 Ų | 27.3 | 15% | 0.153 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -123.8 | -26.2 | 173.3 | -69.7 | -96.6 | 0 | 0 | 0 | 114.1 | S18 D32 C33 G34 S67 H68 H70 L71 | S18-H73 PolarHBondContact OG-CE1 2.95Å; S18-H73 VanDerWaalsContact OG-CE1 3.27Å; S18-H73 PolarHBondContact OG-NE2 3.23Å; D32-H73 HydrophobicContact CB-CB 4.26Å; D32-H73 VanDerWaalsContact CG-ND1 3.29Å; D32-H73 IonicContact OD1-ND1 3.65Å; D32-H73 IonicContact OD2-CE1 3.81Å; D32-H73 IonicContact OD2-CG 2.74Å; D32-H73 IonicContact OD2-ND1 3.79Å; D32-H73 PolarHBondContact OD2-ND1 3.37Å; C33-H73 CarbonylContact C-O 3.59Å; C33-H73 VanDerWaalsContact C-O 3.24Å; C33-H73 PolarHBondContact N-O 3.07Å; G34-H73 PolarHBondContact N-O 3.46Å; S67-H73 PolarHBondContact OG-ND1 3.21Å; H68-H73 AromaticContact CE1-CD2 3.16Å; H68-H73 PolarHBondContact CE1-CD2 3.46Å; H68-H73 AromaticContact CE1-CE1 3.73Å; H68-H73 AromaticContact CE1-CG 3.41Å; H68-H73 VanDerWaalsContact CE1-CG 3.41Å; H68-H73 AromaticContact CE1-ND1 3.75Å; H68-H73 AromaticContact CE1-NE2 3.4Å; H68-H73 PolarHBondContact CE1-NE2 2.76Å; H68-H73 AromaticContact ND1-CD2 3.94Å; H68-H73 AromaticContact ND1-CG 3.72Å; H68-H73 AromaticContact ND1-ND1 3.99Å; H68-H73 AromaticContact NE2-CD2 3.71Å; H70-H73 PolarHBondContact O-N 2.97Å; L71-H73 PolarHBondContact O-N 2.97Å |
| 74 | C | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -124.6 | -6.2 | 177.5 | 73.2 | 0 | 0 | 0 | 0 | 115.7 | C33 I66 F69 H70 A76 L77 | C33-C74 CarbonylContact O-C 3.54Å; C33-C74 WeakPolarHBondContact O-CA 3.31Å; I66-C74 HydrophobicContact CG2-CB 4.01Å; F69-C74 PolarHBondContact O-SG 3.17Å; F69-C74 VanDerWaalsContact O-SG 3.38Å; H70-C74 PolarHBondContact O-N 3.09Å; H70-C74 PolarHBondContact O-SG 3.08Å; H70-C74 VanDerWaalsContact O-SG 3.37Å; C74-A76 VanDerWaalsContact C-N 3.33Å; C74-A76 PolarHBondContact O-N 3.38Å; C74-L77 WeakPolarHBondContact O-CB 3.47Å; C74-L77 PolarHBondContact O-N 2.91Å |
| 75 | G | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -28.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C33 M35 L71 F121 | C33-G75 PolarHBondContact O-N 3.35Å; M35-G75 WeakPolarHBondContact CE-O 3.47Å; L71-G75 WeakPolarHBondContact O-CA 3.32Å; L71-G75 PolarHBondContact O-N 3.41Å; G75-F121 WeakPolarHBondContact O-CE1 3.33Å |
| 76 | A | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -4.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | C33 G34 F45 F48 C74 Y79 F80 | C33-A76 WeakPolarHBondContact O-CA 3.28Å; C33-A76 WeakPolarHBondContact O-CB 3.24Å; C33-A76 PolarHBondContact O-N 3.28Å; G34-A76 WeakPolarHBondContact O-CB 3.15Å; F45-A76 HydrophobicContact CD1-CB 3.85Å; F45-A76 HydrophobicContact CE1-CB 4.41Å; F48-A76 HydrophobicContact CZ-CB 4.46Å; C74-A76 VanDerWaalsContact C-N 3.33Å; C74-A76 PolarHBondContact O-N 3.38Å; A76-Y79 WeakPolarHBondContact O-CB 3.26Å; A76-Y79 PolarHBondContact O-N 3.33Å; A76-Y79 VanDerWaalsContact O-N 3.11Å; A76-F80 WeakPolarHBondContact O-CB 3.47Å; A76-F80 PolarHBondContact O-N 2.89Å |
| 77 | L | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.7 | -42.5 | -173.5 | -170.5 | 68.6 | 0 | 0 | 0 | 113.9 | C33 V64 I66 C74 F80 S81 I90 M92 | C33-L77 HydrophobicContact CB-CB 4.35Å; C33-L77 HydrophobicContact CB-CD1 3.94Å; C33-L77 PolarHBondContact O-N 3.3Å; V64-L77 HydrophobicContact CG1-CD1 4.33Å; I66-L77 HydrophobicContact CD1-CD1 4.12Å; I66-L77 HydrophobicContact CD1-CD2 4.46Å; I66-L77 HydrophobicContact CG1-CD2 4.24Å; C74-L77 WeakPolarHBondContact O-CB 3.47Å; C74-L77 PolarHBondContact O-N 2.91Å; L77-F80 PolarHBondContact O-N 3.26Å; L77-S81 WeakPolarHBondContact O-CB 3.16Å; L77-S81 PolarHBondContact O-N 2.83Å; L77-I90 HydrophobicContact CD1-CD1 3.93Å; L77-I90 HydrophobicContact CD1-CG1 4.39Å; L77-I90 HydrophobicContact CD1-CG2 4.23Å; L77-I90 HydrophobicContact CD2-CD1 4.36Å; L77-I90 HydrophobicContact CD2-CG2 4.1Å; L77-I90 HydrophobicContact CG-CD1 4.24Å; L77-M92 HydrophobicContact CD2-CE 4.05Å |
| 78 | P | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.8 | -31.6 | 177.1 | -18.6 | 33.7 | 0 | 0 | 0 | 113.3 | E82 L104 F121 I126 C129 | P78-E82 PolarHBondContact O-N 2.83Å; P78-L104 HydrophobicContact CG-CD1 3.68Å; P78-L104 HydrophobicContact CG-CD2 4.02Å; P78-L104 HydrophobicContact CG-CG 4.38Å; P78-F121 HydrophobicContact CB-CB 4.15Å; P78-F121 HydrophobicContact CB-CD1 4Å; P78-F121 HydrophobicContact CB-CD2 3.88Å; P78-F121 HydrophobicContact CB-CE1 4.32Å; P78-F121 HydrophobicContact CB-CE2 4.23Å; P78-F121 HydrophobicContact CB-CG 3.75Å; P78-F121 HydrophobicContact CB-CZ 4.43Å; P78-F121 HydrophobicContact CG-CD1 4.38Å; P78-F121 HydrophobicContact CG-CD2 4.14Å; P78-F121 HydrophobicContact CG-CE1 4.2Å; P78-F121 HydrophobicContact CG-CE2 3.96Å; P78-F121 HydrophobicContact CG-CG 4.34Å; P78-F121 HydrophobicContact CG-CZ 3.99Å; P78-I126 HydrophobicContact CB-CG1 4.33Å; P78-I126 HydrophobicContact CG-CG1 4.19Å; P78-C129 HydrophobicContact CB-CB 4.49Å |
| 79 | Y | 94.4 | Very high | 94.4 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 22% | 0.224 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -65.6 | -51.6 | 173.1 | 174.1 | -87.4 | 0 | 0 | 0 | 110.1 | F45 F48 A76 S81 M83 V84 | F45-Y79 AromaticContact CD1-CD1 3.8Å; F45-Y79 HydrophobicContact CD1-CD1 3.8Å; F45-Y79 HydrophobicContact CD1-CD2 4.47Å; F45-Y79 HydrophobicContact CD1-CE1 4.16Å; F45-Y79 AromaticContact CD1-CG 3.99Å; F45-Y79 HydrophobicContact CD1-CG 3.99Å; F45-Y79 HydrophobicContact CD2-CE1 4.25Å; F45-Y79 HydrophobicContact CD2-CE2 4.35Å; F45-Y79 AromaticContact CE1-CD1 3.83Å; F45-Y79 HydrophobicContact CE1-CD1 3.83Å; F45-Y79 AromaticContact CE1-CD2 3.75Å; F45-Y79 HydrophobicContact CE1-CD2 3.75Å; F45-Y79 HydrophobicContact CE1-CE1 4.36Å; F45-Y79 HydrophobicContact CE1-CE2 4.28Å; F45-Y79 AromaticContact CE1-CG 3.51Å; F45-Y79 HydrophobicContact CE1-CG 3.51Å; F45-Y79 HydrophobicContact CE2-CD2 4.05Å; F45-Y79 HydrophobicContact CE2-CE1 4.46Å; F45-Y79 AromaticContact CE2-CE2 3.81Å; F45-Y79 HydrophobicContact CE2-CE2 3.81Å; F45-Y79 HydrophobicContact CE2-CG 4.49Å; F45-Y79 HydrophobicContact CG-CD1 4.22Å; F45-Y79 HydrophobicContact CG-CE1 4.1Å; F45-Y79 HydrophobicContact CZ-CD1 4.29Å; F45-Y79 AromaticContact CZ-CD2 3.5Å; F45-Y79 HydrophobicContact CZ-CD2 3.5Å; F45-Y79 VanDerWaalsContact CZ-CD2 3.5Å; F45-Y79 AromaticContact CZ-CE2 3.76Å; F45-Y79 HydrophobicContact CZ-CE2 3.76Å; F45-Y79 AromaticContact CZ-CG 3.8Å; F45-Y79 HydrophobicContact CZ-CG 3.8Å; F48-Y79 HydrophobicContact CD2-CD1 4.45Å; F48-Y79 HydrophobicContact CD2-CE1 4.02Å; F48-Y79 AromaticContact CE2-CD1 3.86Å; F48-Y79 HydrophobicContact CE2-CD1 3.86Å; F48-Y79 AromaticContact CE2-CE1 3.86Å; F48-Y79 HydrophobicContact CE2-CE1 3.86Å; A76-Y79 WeakPolarHBondContact O-CB 3.26Å; A76-Y79 PolarHBondContact O-N 3.33Å; A76-Y79 VanDerWaalsContact O-N 3.11Å; Y79-S81 PolarHBondContact O-N 3.37Å; Y79-M83 HydrophobicContact CD2-CB 4.08Å; Y79-M83 HydrophobicContact CD2-CG 4.42Å; Y79-M83 HydrophobicContact CD2-SD 3.42Å; Y79-M83 WeakPolarHBondContact CD2-SD 3.47Å; Y79-M83 HydrophobicContact CE2-CB 4.26Å; Y79-M83 HydrophobicContact CE2-SD 3.89Å; Y79-M83 HydrophobicContact CG-CB 4.44Å; Y79-M83 HydrophobicContact CG-SD 4.35Å; Y79-M83 WeakPolarHBondContact O-CA 3.48Å; Y79-M83 VanDerWaalsContact O-CB 3.3Å; Y79-M83 WeakPolarHBondContact O-CB 3.37Å; Y79-M83 PolarHBondContact O-N 2.95Å; Y79-V84 HydrophobicContact CD1-CG2 3.72Å; Y79-V84 HydrophobicContact CE1-CG2 3.42Å; Y79-V84 VanDerWaalsContact CE1-CG2 3.42Å; Y79-V84 PolarHBondContact O-N 3.38Å |
| 80 | F | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -59.3 | -44.4 | 177.5 | 174 | -102.7 | 0 | 0 | 0 | 112.8 | M30 C33 F48 I51 L57 L61 V64 A76 L77 G85 Y86 | M30-F80 HydrophobicContact CE-CD1 3.82Å; M30-F80 HydrophobicContact CE-CD2 4.22Å; M30-F80 HydrophobicContact CE-CE1 3.49Å; M30-F80 VanDerWaalsContact CE-CE1 3.49Å; M30-F80 HydrophobicContact CE-CE2 3.92Å; M30-F80 HydrophobicContact CE-CG 4.18Å; M30-F80 HydrophobicContact CE-CZ 3.55Å; M30-F80 HydrophobicContact SD-CE2 4.21Å; M30-F80 HydrophobicContact SD-CZ 4.09Å; C33-F80 WeakPolarHBondContact SG-CB 3.11Å; F48-F80 AromaticContact CD1-CD2 3.81Å; F48-F80 HydrophobicContact CD1-CD2 3.81Å; F48-F80 HydrophobicContact CD1-CE2 4.19Å; F48-F80 HydrophobicContact CE1-CB 4.4Å; F48-F80 AromaticContact CE1-CD2 3.49Å; F48-F80 HydrophobicContact CE1-CD2 3.49Å; F48-F80 VanDerWaalsContact CE1-CD2 3.49Å; F48-F80 HydrophobicContact CE1-CE2 4.15Å; F48-F80 HydrophobicContact CE1-CG 4.19Å; F48-F80 HydrophobicContact CE2-CB 4.45Å; F48-F80 HydrophobicContact CE2-CD2 4.45Å; F48-F80 HydrophobicContact CG-CD2 4.4Å; F48-F80 HydrophobicContact CZ-CB 3.94Å; F48-F80 AromaticContact CZ-CD2 3.85Å; F48-F80 HydrophobicContact CZ-CD2 3.85Å; F48-F80 HydrophobicContact CZ-CG 4.23Å; I51-F80 HydrophobicContact CD1-CE2 3.77Å; L57-F80 HydrophobicContact CD1-CD2 4.24Å; L57-F80 HydrophobicContact CD1-CE2 3.6Å; L57-F80 HydrophobicContact CD1-CZ 4.09Å; L61-F80 HydrophobicContact CD1-CE2 4.21Å; L61-F80 HydrophobicContact CD1-CZ 3.59Å; V64-F80 HydrophobicContact CG2-CE1 3.86Å; A76-F80 WeakPolarHBondContact O-CB 3.47Å; A76-F80 PolarHBondContact O-N 2.89Å; L77-F80 PolarHBondContact O-N 3.26Å; F80-G85 PolarHBondContact O-N 2.83Å; F80-Y86 HydrophobicContact CD1-CD1 4.32Å; F80-Y86 HydrophobicContact CD1-CG 4.29Å; F80-Y86 AromaticContact CE1-CD1 3.53Å; F80-Y86 HydrophobicContact CE1-CD1 3.53Å; F80-Y86 HydrophobicContact CE1-CD2 4.05Å; F80-Y86 HydrophobicContact CE1-CE1 4.3Å; F80-Y86 AromaticContact CE1-CG 3.35Å; F80-Y86 HydrophobicContact CE1-CG 3.35Å; F80-Y86 HydrophobicContact CZ-CD1 4.27Å; F80-Y86 AromaticContact CZ-CD2 3.95Å; F80-Y86 HydrophobicContact CZ-CD2 3.95Å; F80-Y86 AromaticContact CZ-CG 3.67Å; F80-Y86 HydrophobicContact CZ-CG 3.67Å; F80-Y86 PolarHBondContact O-N 3.32Å |
| 81 | S | 94.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -65.6 | -53 | 179.4 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | L77 Y79 G85 Y86 C129 K132 | L77-S81 WeakPolarHBondContact O-CB 3.16Å; L77-S81 PolarHBondContact O-N 2.83Å; Y79-S81 PolarHBondContact O-N 3.37Å; S81-G85 CarbonylContact O-C 3.24Å; S81-G85 WeakPolarHBondContact O-CA 3.49Å; S81-G85 PolarHBondContact O-N 2.84Å; S81-Y86 PolarHBondContact O-N 3.43Å; S81-Y86 VanDerWaalsContact O-O 3.09Å; S81-C129 VanDerWaalsContact CB-SG 3.56Å; S81-K132 WeakPolarHBondContact OG-CD 3.25Å; S81-K132 PolarHBondContact OG-NZ 2.8Å |
| 82 | E | 94.3 | Very high | 94.5 | Very high | 62 Ų | 62 | 25.6 Ų | 25.6 | 29% | 0.29 | 14% | 0.142 | S | C | . | . | I | π-helix | trans | -106.4 | -26.7 | -166.7 | -52.1 | -48.6 | 125.4 | 0 | 0 | 115 | P78 M125 C129 K132 | P78-E82 PolarHBondContact O-N 2.83Å; E82-M125 HydrophobicContact CB-CB 3.97Å; E82-M125 HydrophobicContact CB-CE 3.66Å; E82-M125 HydrophobicContact CB-CG 3.85Å; E82-M125 HydrophobicContact CG-CB 3.78Å; E82-M125 HydrophobicContact CG-CG 4.12Å; E82-C129 HydrophobicContact CG-CB 4.47Å; E82-K132 WeakPolarHBondContact OE1-CE 3.49Å; E82-K132 IonicContact OE1-NZ 3.37Å; E82-K132 PolarHBondContact OE1-NZ 2.85Å; E82-K132 IonicContact OE2-NZ 3.49Å |
| 83 | M | 91 | Very high | 94.6 | Very high | 93 Ų | 93 | 24.3 Ų | 24.3 | 46% | 0.458 | 14% | 0.136 | S | C | . | . | I | π-helix | trans | -91.8 | -40.9 | 175.1 | -83.1 | 159.6 | 173.3 | 0 | 0 | 112.2 | Y79 M125 | Y79-M83 HydrophobicContact CD2-CB 4.08Å; Y79-M83 HydrophobicContact CD2-CG 4.42Å; Y79-M83 HydrophobicContact CD2-SD 3.42Å; Y79-M83 WeakPolarHBondContact CD2-SD 3.47Å; Y79-M83 HydrophobicContact CE2-CB 4.26Å; Y79-M83 HydrophobicContact CE2-SD 3.89Å; Y79-M83 HydrophobicContact CG-CB 4.44Å; Y79-M83 HydrophobicContact CG-SD 4.35Å; Y79-M83 WeakPolarHBondContact O-CA 3.48Å; Y79-M83 VanDerWaalsContact O-CB 3.3Å; Y79-M83 WeakPolarHBondContact O-CB 3.37Å; Y79-M83 PolarHBondContact O-N 2.95Å; M83-M125 HydrophobicContact CB-CE 4.44Å; M83-M125 HydrophobicContact CE-CE 3.77Å; M83-M125 HydrophobicContact CE-SD 4.22Å; M83-M125 HydrophobicContact CG-CE 3.55Å; M83-M125 HydrophobicContact SD-CE 3.72Å |
| 84 | V | 91.1 | Very high | 94.6 | Very high | 38 Ų | 38 | 26.4 Ų | 26.4 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -86.3 | -18.2 | 176.6 | -155.8 | 0 | 0 | 0 | 0 | 111.8 | F48 T52 L57 Y79 | F48-V84 HydrophobicContact CD2-CG2 4.17Å; T52-V84 HydrophobicContact CG2-CG1 3.59Å; L57-V84 HydrophobicContact CD1-CB 3.97Å; L57-V84 HydrophobicContact CD1-CG1 3.62Å; Y79-V84 HydrophobicContact CD1-CG2 3.72Å; Y79-V84 HydrophobicContact CE1-CG2 3.42Å; Y79-V84 VanDerWaalsContact CE1-CG2 3.42Å; Y79-V84 PolarHBondContact O-N 3.38Å |
| 85 | G | 91.2 | Very high | 94.6 | Very high | 43 Ų | 43 | 30.3 Ų | 30.3 | 44% | 0.443 | 17% | 0.171 | S | C | . | . | trans | 89.8 | 37.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F80 S81 | F80-G85 PolarHBondContact O-N 2.83Å; S81-G85 CarbonylContact O-C 3.24Å; S81-G85 WeakPolarHBondContact O-CA 3.49Å; S81-G85 PolarHBondContact O-N 2.84Å | ||
| 86 | Y | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -82 | 128.7 | 170.3 | -177.1 | -105.7 | 0 | 0 | 0 | 112.3 | L57 L61 C63 V64 F80 S81 G88 I90 K132 | L57-Y86 HydrophobicContact CB-CD2 4.04Å; L61-Y86 HydrophobicContact CB-CD2 4.36Å; L61-Y86 HydrophobicContact CB-CE2 3.71Å; L61-Y86 HydrophobicContact CD1-CD2 4.49Å; L61-Y86 HydrophobicContact CD1-CE2 4.48Å; C63-Y86 WeakPolarHBondContact CA-OH 3.44Å; V64-Y86 HydrophobicContact CB-CE1 4.45Å; V64-Y86 HydrophobicContact CG2-CD1 4.09Å; V64-Y86 HydrophobicContact CG2-CE1 3.48Å; V64-Y86 VanDerWaalsContact CG2-CE1 3.48Å; F80-Y86 HydrophobicContact CD1-CD1 4.32Å; F80-Y86 HydrophobicContact CD1-CG 4.29Å; F80-Y86 AromaticContact CE1-CD1 3.53Å; F80-Y86 HydrophobicContact CE1-CD1 3.53Å; F80-Y86 HydrophobicContact CE1-CD2 4.05Å; F80-Y86 HydrophobicContact CE1-CE1 4.3Å; F80-Y86 AromaticContact CE1-CG 3.35Å; F80-Y86 HydrophobicContact CE1-CG 3.35Å; F80-Y86 HydrophobicContact CZ-CD1 4.27Å; F80-Y86 AromaticContact CZ-CD2 3.95Å; F80-Y86 HydrophobicContact CZ-CD2 3.95Å; F80-Y86 AromaticContact CZ-CG 3.67Å; F80-Y86 HydrophobicContact CZ-CG 3.67Å; F80-Y86 PolarHBondContact O-N 3.32Å; S81-Y86 PolarHBondContact O-N 3.43Å; S81-Y86 VanDerWaalsContact O-O 3.09Å; Y86-G88 VanDerWaalsContact CE1-C 3.41Å; Y86-G88 VanDerWaalsContact CE1-O 3.24Å; Y86-G88 WeakPolarHBondContact CE1-O 3.26Å; Y86-G88 WeakPolarHBondContact OH-CA 3.33Å; Y86-I90 HydrophobicContact CE1-CG1 4.17Å; Y86-K132 PolarHBondContact O-NZ 3.19Å | ||
| 87 | D | 92.4 | Very high | 94.7 | Very high | 98 Ų | 98 | 33.3 Ų | 33.3 | 52% | 0.524 | 19% | 0.185 | S | C | . | . | trans | -124.4 | 13.1 | -176.4 | -159.1 | 39.3 | 0 | 0 | 0 | 113 | T58 K132 | T58-D87 PolarHBondContact OG1-N 3.16Å; T58-D87 VanDerWaalsContact OG1-N 3.1Å; D87-K132 WeakPolarHBondContact OD1-CE 3.36Å; D87-K132 IonicContact OD1-NZ 2.67Å; D87-K132 PolarHBondContact OD1-NZ 3.44Å | ||
| 88 | G | 91.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -88 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y86 | Y86-G88 VanDerWaalsContact CE1-C 3.41Å; Y86-G88 VanDerWaalsContact CE1-O 3.24Å; Y86-G88 WeakPolarHBondContact CE1-O 3.26Å; Y86-G88 WeakPolarHBondContact OH-CA 3.33Å |
| 89 | P | 93.6 | Very high | 94.8 | Very high | 41 Ų | 41 | 39.3 Ų | 39.3 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | trans | -73.8 | 131.8 | -175.7 | 30 | -34.3 | 0 | 0 | 0 | 112.1 | C63 V64 Y91 V144 | C63-P89 HydrophobicContact CB-CG 4.05Å; V64-P89 PolarHBondContact N-O 3.12Å; V64-P89 VanDerWaalsContact N-O 3.07Å; P89-Y91 HydrophobicContact CB-CE2 3.98Å; P89-Y91 HydrophobicContact CG-CE2 4.11Å; P89-V144 HydrophobicContact CG-CG1 4.41Å | ||
| 90 | I | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.4 | 173.6 | -57.2 | 161.9 | 0 | 0 | 0 | 108.6 | V64 I66 L77 Y86 M92 K132 V133 V134 | V64-I90 HydrophobicContact CB-CG1 4.23Å; V64-I90 HydrophobicContact CB-CG2 4.43Å; V64-I90 CarbonylContact O-C 3.55Å; V64-I90 WeakPolarHBondContact O-CA 3.46Å; I66-I90 HydrophobicContact CG1-CG2 4.01Å; L77-I90 HydrophobicContact CD1-CD1 3.93Å; L77-I90 HydrophobicContact CD1-CG1 4.39Å; L77-I90 HydrophobicContact CD1-CG2 4.23Å; L77-I90 HydrophobicContact CD2-CD1 4.36Å; L77-I90 HydrophobicContact CD2-CG2 4.1Å; L77-I90 HydrophobicContact CG-CD1 4.24Å; Y86-I90 HydrophobicContact CE1-CG1 4.17Å; I90-M92 HydrophobicContact CG2-CE 3.88Å; I90-K132 HydrophobicContact CD1-CB 4.2Å; I90-K132 PolarHBondContact N-O 3.46Å; I90-V133 HydrophobicContact CB-CG2 4.16Å; I90-V133 HydrophobicContact CG2-CG2 4.2Å; I90-V133 CarbonylContact O-C 3.54Å; I90-V133 VanDerWaalsContact O-CA 3.32Å; I90-V133 WeakPolarHBondContact O-CA 3.25Å; I90-V134 PolarHBondContact O-N 3.2Å |
| 91 | Y | 96.9 | Very high | 94.9 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.1 | 178.7 | -64.8 | -73.9 | 0 | 0 | 0 | 111.4 | C63 V64 I65 I66 P89 V134 V136 V142 V144 L280 | C63-Y91 HydrophobicContact CB-CD2 3.93Å; C63-Y91 HydrophobicContact CB-CE2 3.68Å; V64-Y91 PolarHBondContact O-N 2.8Å; I65-Y91 WeakPolarHBondContact CA-O 3.07Å; I66-Y91 PolarHBondContact N-O 2.81Å; P89-Y91 HydrophobicContact CB-CE2 3.98Å; P89-Y91 HydrophobicContact CG-CE2 4.11Å; Y91-V134 HydrophobicContact CD1-CB 3.79Å; Y91-V134 HydrophobicContact CD1-CG1 4.06Å; Y91-V134 HydrophobicContact CE1-CB 3.7Å; Y91-V134 HydrophobicContact CE1-CG1 3.77Å; Y91-V134 HydrophobicContact CE1-CG2 4.27Å; Y91-V136 HydrophobicContact CD1-CG1 3.91Å; Y91-V142 HydrophobicContact CE1-CG1 3.87Å; Y91-V144 HydrophobicContact CE2-CG1 4.05Å; Y91-V144 HydrophobicContact CE2-CG2 3.76Å; Y91-L280 HydrophobicContact CD2-CD1 3.82Å; Y91-L280 HydrophobicContact CE2-CD1 4.09Å; Y91-L280 HydrophobicContact CG-CD1 4.26Å |
| 92 | M | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 161 | 170.7 | 71.1 | -173.1 | 63 | 0 | 0 | 111.3 | I66 L77 I90 T96 Q97 C100 M130 V133 V134 A135 V136 | I66-M92 HydrophobicContact CB-CB 4.02Å; I66-M92 HydrophobicContact CB-CE 4.42Å; I66-M92 HydrophobicContact CG1-CE 4.07Å; L77-M92 HydrophobicContact CD2-CE 4.05Å; I90-M92 HydrophobicContact CG2-CE 3.88Å; M92-T96 HydrophobicContact CB-CG2 4.02Å; M92-T96 HydrophobicContact CG-CG2 4.26Å; M92-T96 HydrophobicContact SD-CG2 3.87Å; M92-Q97 HydrophobicContact CG-CB 3.96Å; M92-Q97 WeakPolarHBondContact SD-CA 3.11Å; M92-Q97 HydrophobicContact SD-CB 3.94Å; M92-Q97 HydrophobicContact SD-CG 4.4Å; M92-C100 HydrophobicContact SD-CB 4.48Å; M92-M130 HydrophobicContact SD-CE 4.27Å; M92-V133 HydrophobicContact CE-CB 4.3Å; M92-V133 HydrophobicContact CE-CG1 3.65Å; M92-V133 HydrophobicContact CE-CG2 3.58Å; M92-V133 HydrophobicContact CG-CG1 3.56Å; M92-V133 HydrophobicContact SD-CG1 3.69Å; M92-V133 HydrophobicContact SD-CG2 4.46Å; M92-V134 PolarHBondContact N-O 3.26Å; M92-A135 WeakPolarHBondContact O-CA 3.4Å; M92-V136 PolarHBondContact O-N 3.4Å |
| 93 | T | 96.8 | Very high | 95.1 | Very high | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 153.7 | 178.1 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | T96 Q97 V136 L138 V282 | T93-T96 WeakPolarHBondContact O-CB 3.5Å; T93-T96 PolarHBondContact O-N 3.36Å; T93-T96 PolarHBondContact OG1-OG1 3.07Å; T93-T96 VanDerWaalsContact OG1-OG1 3.07Å; T93-Q97 PolarHBondContact O-N 2.96Å; T93-V136 WeakPolarHBondContact CA-O 3.37Å; T93-L138 HydrophobicContact CG2-CD2 4.33Å; T93-V282 HydrophobicContact CG2-CG1 3.95Å |
| 94 | H | 96.6 | Very high | 95.3 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 36% | 0.356 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -51.6 | -43 | 176.8 | -73.8 | -88.8 | 0 | 0 | 0 | 114.4 | Q97 A98 A135 V136 H137 | H94-Q97 PolarHBondContact O-N 2.67Å; H94-A98 PolarHBondContact O-N 2.91Å; H94-A135 WeakPolarHBondContact CE1-CB 3.4Å; H94-V136 PolarHBondContact CD2-O 3.37Å; H94-V136 PolarHBondContact N-O 2.98Å; H94-H137 AromaticContact CD2-CE1 3.51Å; H94-H137 AromaticContact CD2-CG 3.97Å; H94-H137 AromaticContact CD2-ND1 3.41Å; H94-H137 PolarHBondContact CD2-ND1 3.47Å; H94-H137 AromaticContact NE2-CD2 3.91Å; H94-H137 AromaticContact NE2-CE1 3.26Å; H94-H137 PolarHBondContact NE2-CE1 3.01Å; H94-H137 VanDerWaalsContact NE2-CE1 3.26Å; H94-H137 AromaticContact NE2-CG 3.98Å; H94-H137 AromaticContact NE2-ND1 3.6Å; H94-H137 AromaticContact NE2-NE2 3.49Å; H94-H137 PolarHBondContact NE2-NE2 2.9Å |
| 95 | P | 96.9 | Very high | 95.5 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 53% | 0.532 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.2 | -24.4 | 35.6 | 0 | 0 | 0 | 113 | Q97 A98 I99 | P95-Q97 PolarHBondContact O-N 3Å; P95-A98 PolarHBondContact O-N 3.08Å; P95-I99 WeakPolarHBondContact O-CG1 3.47Å; P95-I99 PolarHBondContact O-N 3.06Å |
| 96 | T | 96.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | I66 F69 M92 T93 A98 I99 C100 | I66-T96 HydrophobicContact CG2-CG2 4.2Å; F69-T96 HydrophobicContact CB-CG2 4.17Å; M92-T96 HydrophobicContact CB-CG2 4.02Å; M92-T96 HydrophobicContact CG-CG2 4.26Å; M92-T96 HydrophobicContact SD-CG2 3.87Å; T93-T96 WeakPolarHBondContact O-CB 3.5Å; T93-T96 PolarHBondContact O-N 3.36Å; T93-T96 PolarHBondContact OG1-OG1 3.07Å; T93-T96 VanDerWaalsContact OG1-OG1 3.07Å; T96-A98 VanDerWaalsContact C-N 3.3Å; T96-A98 PolarHBondContact O-N 3.03Å; T96-I99 PolarHBondContact O-N 2.99Å; T96-C100 WeakPolarHBondContact O-CB 3.47Å; T96-C100 PolarHBondContact O-N 3.11Å |
| 97 | Q | 96.3 | Very high | 95.7 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.3 | -37.4 | 178.7 | -169.3 | -170 | 26.8 | 0 | 0 | 113 | M92 T93 H94 P95 P101 M130 V133 A135 | M92-Q97 HydrophobicContact CG-CB 3.96Å; M92-Q97 WeakPolarHBondContact SD-CA 3.11Å; M92-Q97 HydrophobicContact SD-CB 3.94Å; M92-Q97 HydrophobicContact SD-CG 4.4Å; T93-Q97 PolarHBondContact O-N 2.96Å; H94-Q97 PolarHBondContact O-N 2.67Å; P95-Q97 PolarHBondContact O-N 3Å; Q97-P101 WeakPolarHBondContact O-CD 3.37Å; Q97-M130 HydrophobicContact CG-CE 3.69Å; Q97-V133 HydrophobicContact CG-CG1 3.93Å; Q97-A135 VanDerWaalsContact OE1-CB 3.3Å |
| 98 | A | 96.6 | Very high | 95.7 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 51% | 0.512 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.7 | -37 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H94 P95 T96 | H94-A98 PolarHBondContact O-N 2.91Å; P95-A98 PolarHBondContact O-N 3.08Å; T96-A98 VanDerWaalsContact C-N 3.3Å; T96-A98 PolarHBondContact O-N 3.03Å |
| 99 | I | 97.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 32% | 0.323 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -90.4 | -37.8 | -173.1 | -63.7 | 172.4 | 0 | 0 | 0 | 112.2 | F69 P95 T96 I102 L103 | F69-I99 HydrophobicContact CB-CB 4.27Å; F69-I99 HydrophobicContact CB-CG2 4.03Å; F69-I99 HydrophobicContact CD1-CB 4.36Å; F69-I99 HydrophobicContact CD1-CD1 4Å; F69-I99 HydrophobicContact CD1-CG2 4.25Å; F69-I99 HydrophobicContact CD2-CG2 3.92Å; F69-I99 HydrophobicContact CE1-CD1 3.96Å; F69-I99 HydrophobicContact CE2-CG2 4.47Å; F69-I99 HydrophobicContact CG-CB 4.24Å; F69-I99 HydrophobicContact CG-CG2 3.79Å; P95-I99 WeakPolarHBondContact O-CG1 3.47Å; P95-I99 PolarHBondContact O-N 3.06Å; T96-I99 PolarHBondContact O-N 2.99Å; I99-I102 WeakPolarHBondContact O-CB 3.14Å; I99-I102 PolarHBondContact O-N 3.1Å; I99-L103 HydrophobicContact CG2-CD1 3.57Å; I99-L103 HydrophobicContact CG2-CG 3.86Å; I99-L103 PolarHBondContact O-N 2.99Å; I99-L103 VanDerWaalsContact O-N 3.1Å |
| 100 | C | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -47.8 | -52.8 | -177.4 | -173.6 | 0 | 0 | 0 | 0 | 114.4 | M92 T96 I102 L103 L104 | M92-C100 HydrophobicContact SD-CB 4.48Å; T96-C100 WeakPolarHBondContact O-CB 3.47Å; T96-C100 PolarHBondContact O-N 3.11Å; C100-I102 VanDerWaalsContact C-N 3.26Å; C100-I102 PolarHBondContact O-N 3.2Å; C100-L103 PolarHBondContact O-N 3.22Å; C100-L104 WeakPolarHBondContact O-CB 3.32Å; C100-L104 VanDerWaalsContact O-CG 3.26Å; C100-L104 WeakPolarHBondContact O-CG 3.5Å; C100-L104 PolarHBondContact O-N 2.93Å; C100-L104 WeakPolarHBondContact SG-CD1 3.3Å |
| 101 | P | 96.3 | Very high | 95.2 | Very high | 40 Ų | 40 | 44 Ų | 44 | 26% | 0.26 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64 | -28.7 | 179.8 | 23 | -32.3 | 0 | 0 | 0 | 113.8 | Q97 E105 I126 M130 | Q97-P101 WeakPolarHBondContact O-CD 3.37Å; P101-E105 VanDerWaalsContact O-CB 3.3Å; P101-E105 WeakPolarHBondContact O-CB 3.18Å; P101-E105 PolarHBondContact O-N 3.08Å; P101-E105 VanDerWaalsContact O-N 3.1Å; P101-I126 HydrophobicContact CB-CG2 4.34Å; P101-M130 HydrophobicContact CB-CG 4.12Å; P101-M130 HydrophobicContact CG-CE 4.36Å |
| 102 | I | 96.8 | Very high | 94.8 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 62% | 0.621 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -71.4 | -47.1 | 178.9 | -55.7 | 175.1 | 0 | 0 | 0 | 109.4 | I99 C100 E105 D106 | I99-I102 WeakPolarHBondContact O-CB 3.14Å; I99-I102 PolarHBondContact O-N 3.1Å; C100-I102 VanDerWaalsContact C-N 3.26Å; C100-I102 PolarHBondContact O-N 3.2Å; I102-E105 PolarHBondContact O-N 3.32Å; I102-D106 PolarHBondContact O-N 3.48Å |
| 103 | L | 96.2 | Very high | 94.2 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 177.9 | -69.4 | 177.8 | 0 | 0 | 0 | 112.6 | F69 I99 C100 E105 D106 Y107 | F69-L103 HydrophobicContact CB-CD1 4.2Å; F69-L103 HydrophobicContact CD2-CD1 3.48Å; F69-L103 VanDerWaalsContact CD2-CD1 3.48Å; F69-L103 HydrophobicContact CE2-CD1 4.28Å; F69-L103 HydrophobicContact CG-CD1 4.21Å; F69-L103 VanDerWaalsContact O-CD1 3.26Å; F69-L103 WeakPolarHBondContact O-CD1 3.43Å; I99-L103 HydrophobicContact CG2-CD1 3.57Å; I99-L103 HydrophobicContact CG2-CG 3.86Å; I99-L103 PolarHBondContact O-N 2.99Å; I99-L103 VanDerWaalsContact O-N 3.1Å; C100-L103 PolarHBondContact O-N 3.22Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-D106 PolarHBondContact O-N 3.49Å; L103-Y107 VanDerWaalsContact O-CB 3.28Å; L103-Y107 WeakPolarHBondContact O-CB 3.3Å; L103-Y107 PolarHBondContact O-N 3.48Å |
| 104 | L | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 176.1 | -70.9 | 169.9 | 0 | 0 | 0 | 111.9 | L71 P78 C100 R108 F121 I126 | L71-L104 HydrophobicContact CD2-CD2 4.31Å; P78-L104 HydrophobicContact CG-CD1 3.68Å; P78-L104 HydrophobicContact CG-CD2 4.02Å; P78-L104 HydrophobicContact CG-CG 4.38Å; C100-L104 WeakPolarHBondContact O-CB 3.32Å; C100-L104 VanDerWaalsContact O-CG 3.26Å; C100-L104 WeakPolarHBondContact O-CG 3.5Å; C100-L104 PolarHBondContact O-N 2.93Å; C100-L104 WeakPolarHBondContact SG-CD1 3.3Å; L104-R108 VanDerWaalsContact O-CB 3.29Å; L104-R108 WeakPolarHBondContact O-CB 3.39Å; L104-R108 PolarHBondContact O-N 3.49Å; L104-F121 HydrophobicContact CB-CE2 4.47Å; L104-F121 HydrophobicContact CD2-CE2 4.44Å; L104-F121 HydrophobicContact CD2-CZ 3.94Å; L104-I126 HydrophobicContact CB-CD1 4.02Å; L104-I126 HydrophobicContact CB-CG1 4.35Å; L104-I126 HydrophobicContact CB-CG2 4.1Å; L104-I126 HydrophobicContact CD1-CG2 4.2Å |
| 105 | E | 95.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 58.8 Ų | 58.8 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.4 | -36.7 | 177.8 | -179.1 | 58 | -142.7 | 0 | 0 | 112.5 | P101 I102 L103 R108 K109 S123 I126 | P101-E105 VanDerWaalsContact O-CB 3.3Å; P101-E105 WeakPolarHBondContact O-CB 3.18Å; P101-E105 PolarHBondContact O-N 3.08Å; P101-E105 VanDerWaalsContact O-N 3.1Å; I102-E105 PolarHBondContact O-N 3.32Å; L103-E105 VanDerWaalsContact C-N 3.35Å; E105-R108 IonicContact OE1-CZ 3.05Å; E105-R108 IonicContact OE1-NE 3.54Å; E105-R108 PolarHBondContact OE1-NE 3.37Å; E105-R108 IonicContact OE1-NH2 3.34Å; E105-R108 PolarHBondContact OE1-NH2 3.26Å; E105-R108 IonicContact OE2-NE 2.76Å; E105-R108 PolarHBondContact OE2-NE 3.07Å; E105-K109 WeakPolarHBondContact O-CG 3.46Å; E105-K109 PolarHBondContact O-N 2.97Å; E105-K109 VanDerWaalsContact O-N 3.1Å; E105-K109 VanDerWaalsContact OE1-CE 3.25Å; E105-K109 WeakPolarHBondContact OE1-CE 3.24Å; E105-S123 VanDerWaalsContact CD-OG 3.26Å; E105-S123 PolarHBondContact OE1-OG 3.41Å; E105-S123 WeakPolarHBondContact OE2-CB 3.42Å; E105-S123 PolarHBondContact OE2-OG 3.31Å; E105-I126 HydrophobicContact CB-CD1 4.34Å |
| 106 | D | 95.1 | Very high | 91.9 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 172.5 | -172.9 | 64.8 | 0 | 0 | 0 | 111.4 | I102 L103 R108 K109 I110 | I102-D106 PolarHBondContact O-N 3.48Å; L103-D106 PolarHBondContact O-N 3.49Å; D106-R108 VanDerWaalsContact C-N 3.33Å; D106-R108 PolarHBondContact O-N 3.38Å; D106-K109 WeakPolarHBondContact O-CB 3.42Å; D106-K109 PolarHBondContact O-N 3.44Å; D106-K109 VanDerWaalsContact O-N 3.16Å; D106-I110 WeakPolarHBondContact O-CG1 3.46Å; D106-I110 PolarHBondContact O-N 2.8Å |
| 107 | Y | 93.2 | Very high | 91.2 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.5 | -177.4 | -131.9 | 0 | 0 | 0 | 112 | M35 M37 L71 L103 K109 I110 A111 F120 | M35-Y107 HydrophobicContact CE-CE1 3.88Å; M35-Y107 HydrophobicContact SD-CE1 3.71Å; M35-Y107 PolarHBondContact SD-OH 2.91Å; M37-Y107 HydrophobicContact CE-CD2 3.96Å; M37-Y107 HydrophobicContact CE-CE2 3.49Å; M37-Y107 VanDerWaalsContact CE-CE2 3.49Å; M37-Y107 HydrophobicContact SD-CE2 4.35Å; L71-Y107 HydrophobicContact CD1-CD1 4.06Å; L71-Y107 HydrophobicContact CD1-CD2 3.99Å; L71-Y107 HydrophobicContact CD1-CG 3.72Å; L71-Y107 HydrophobicContact CD2-CD1 4.16Å; L71-Y107 HydrophobicContact CD2-CG 4.35Å; L103-Y107 VanDerWaalsContact O-CB 3.28Å; L103-Y107 WeakPolarHBondContact O-CB 3.3Å; L103-Y107 PolarHBondContact O-N 3.48Å; Y107-K109 PolarHBondContact O-N 3.21Å; Y107-I110 PolarHBondContact O-N 3.17Å; Y107-A111 WeakPolarHBondContact O-CB 3.37Å; Y107-A111 PolarHBondContact O-N 3.38Å; Y107-F120 HydrophobicContact CD1-CE1 4.46Å; Y107-F120 AromaticContact CD1-CZ 3.73Å; Y107-F120 HydrophobicContact CD1-CZ 3.73Å; Y107-F120 HydrophobicContact CE1-CE2 4.02Å; Y107-F120 AromaticContact CE1-CZ 3.51Å; Y107-F120 HydrophobicContact CE1-CZ 3.51Å |
| 108 | R | 92.9 | Very high | 89.9 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.5 | -46.1 | 172.9 | -170.2 | -153.7 | 63.9 | 66.7 | -1.6 | 111.9 | L104 E105 D106 I110 A111 V112 D113 F120 F121 S123 I126 | L104-R108 VanDerWaalsContact O-CB 3.29Å; L104-R108 WeakPolarHBondContact O-CB 3.39Å; L104-R108 PolarHBondContact O-N 3.49Å; E105-R108 IonicContact OE1-CZ 3.05Å; E105-R108 IonicContact OE1-NE 3.54Å; E105-R108 PolarHBondContact OE1-NE 3.37Å; E105-R108 IonicContact OE1-NH2 3.34Å; E105-R108 PolarHBondContact OE1-NH2 3.26Å; E105-R108 IonicContact OE2-NE 2.76Å; E105-R108 PolarHBondContact OE2-NE 3.07Å; D106-R108 VanDerWaalsContact C-N 3.33Å; D106-R108 PolarHBondContact O-N 3.38Å; R108-I110 VanDerWaalsContact C-N 3.33Å; R108-I110 PolarHBondContact O-N 2.77Å; R108-A111 PolarHBondContact O-N 3.43Å; R108-V112 HydrophobicContact CG-CG2 4.18Å; R108-V112 WeakPolarHBondContact O-CB 3.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.46Å; R108-V112 PolarHBondContact O-N 2.87Å; R108-D113 IonicContact NH1-OD1 2.91Å; R108-F120 HydrophobicContact CB-CD1 4.34Å; R108-F120 HydrophobicContact CB-CE1 4.11Å; R108-F120 HydrophobicContact CG-CD1 3.91Å; R108-F120 HydrophobicContact CG-CE1 4.18Å; R108-F121 HydrophobicContact CB-CE2 4.42Å; R108-F121 WeakPolarHBondContact CD-O 3.43Å; R108-F121 WeakPolarHBondContact CG-O 3.23Å; R108-S123 PolarHBondContact NE-OG 2.86Å; R108-I126 HydrophobicContact CB-CD1 4.42Å |
| 109 | K | 91.9 | Very high | 88.7 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 40% | 0.404 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 176.8 | -70.4 | 167.6 | -177 | 170.5 | 0 | 112.1 | E105 D106 Y107 D113 K114 | E105-K109 WeakPolarHBondContact O-CG 3.46Å; E105-K109 PolarHBondContact O-N 2.97Å; E105-K109 VanDerWaalsContact O-N 3.1Å; E105-K109 VanDerWaalsContact OE1-CE 3.25Å; E105-K109 WeakPolarHBondContact OE1-CE 3.24Å; D106-K109 WeakPolarHBondContact O-CB 3.42Å; D106-K109 PolarHBondContact O-N 3.44Å; D106-K109 VanDerWaalsContact O-N 3.16Å; Y107-K109 PolarHBondContact O-N 3.21Å; K109-D113 WeakPolarHBondContact CA-OD2 3.42Å; K109-D113 WeakPolarHBondContact CB-OD2 3.1Å; K109-D113 WeakPolarHBondContact O-CA 3.26Å; K109-D113 WeakPolarHBondContact O-CB 3.42Å; K109-D113 VanDerWaalsContact O-CG 3.32Å; K109-D113 PolarHBondContact O-N 3.04Å; K109-K114 PolarHBondContact O-N 3.27Å |
| 110 | I | 90.9 | Very high | 88.1 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 28% | 0.282 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -68.1 | -45.1 | 177 | -65.9 | 169.7 | 0 | 0 | 0 | 111 | D106 Y107 R108 K114 K115 | D106-I110 WeakPolarHBondContact O-CG1 3.46Å; D106-I110 PolarHBondContact O-N 2.8Å; Y107-I110 PolarHBondContact O-N 3.17Å; R108-I110 VanDerWaalsContact C-N 3.33Å; R108-I110 PolarHBondContact O-N 2.77Å; I110-K114 HydrophobicContact CG1-CD 4.29Å; I110-K114 HydrophobicContact CG2-CD 4.45Å; I110-K114 WeakPolarHBondContact O-CB 3.28Å; I110-K114 PolarHBondContact O-N 2.86Å; I110-K115 PolarHBondContact O-N 3.11Å |
| 111 | A | 87.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -67.6 | -49.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y107 R108 K115 G116 E117 F120 | Y107-A111 WeakPolarHBondContact O-CB 3.37Å; Y107-A111 PolarHBondContact O-N 3.38Å; R108-A111 PolarHBondContact O-N 3.43Å; A111-K115 WeakPolarHBondContact O-CB 3.36Å; A111-K115 PolarHBondContact O-N 3.25Å; A111-G116 PolarHBondContact O-N 2.72Å; A111-E117 HydrophobicContact CB-CB 4.47Å; A111-E117 WeakPolarHBondContact O-CB 3.28Å; A111-E117 PolarHBondContact O-N 3.47Å; A111-F120 HydrophobicContact CB-CD1 4.41Å; A111-F120 HydrophobicContact CB-CD2 3.97Å; A111-F120 HydrophobicContact CB-CE1 4.36Å; A111-F120 HydrophobicContact CB-CE2 3.94Å; A111-F120 HydrophobicContact CB-CG 4.23Å; A111-F120 HydrophobicContact CB-CZ 4.15Å |
| 112 | V | 88.3 | Confident | 87.6 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -78 | -55.8 | -177.4 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | R108 G116 F120 | R108-V112 HydrophobicContact CG-CG2 4.18Å; R108-V112 WeakPolarHBondContact O-CB 3.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.46Å; R108-V112 PolarHBondContact O-N 2.87Å; V112-G116 VanDerWaalsContact O-CA 3.25Å; V112-G116 WeakPolarHBondContact O-CA 3.24Å; V112-G116 PolarHBondContact O-N 3.38Å; V112-G116 VanDerWaalsContact O-N 3.08Å; V112-F120 HydrophobicContact CG2-CB 3.88Å; V112-F120 HydrophobicContact CG2-CD1 4.33Å; V112-F120 HydrophobicContact CG2-CG 4.34Å |
| 113 | D | 85.3 | Confident | 87.5 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | I | π-helix | trans | -81.7 | -27.4 | -166 | -39.5 | -20 | 0 | 0 | 0 | 112.7 | R108 K109 | R108-D113 IonicContact NH1-OD1 2.91Å; K109-D113 WeakPolarHBondContact CA-OD2 3.42Å; K109-D113 WeakPolarHBondContact CB-OD2 3.1Å; K109-D113 WeakPolarHBondContact O-CA 3.26Å; K109-D113 WeakPolarHBondContact O-CB 3.42Å; K109-D113 VanDerWaalsContact O-CG 3.32Å; K109-D113 PolarHBondContact O-N 3.04Å |
| 114 | K | 79.9 | Confident | 87.4 | Confident | 166 Ų | 166 | 59.9 Ų | 59.9 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | I | π-helix | trans | -102.8 | -37.2 | 179.4 | -55.1 | -178.5 | -177.5 | 172.4 | 0 | 114.4 | K109 I110 | K109-K114 PolarHBondContact O-N 3.27Å; I110-K114 HydrophobicContact CG1-CD 4.29Å; I110-K114 HydrophobicContact CG2-CD 4.45Å; I110-K114 WeakPolarHBondContact O-CB 3.28Å; I110-K114 PolarHBondContact O-N 2.86Å |
| 115 | K | 81.6 | Confident | 87.5 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 45% | 0.452 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -15.4 | 178.8 | -61.7 | -179.8 | 177.5 | -178.9 | 0 | 114 | N40 I110 A111 E117 | N40-K115 PolarHBondContact OD1-NZ 2.77Å; I110-K115 PolarHBondContact O-N 3.11Å; A111-K115 WeakPolarHBondContact O-CB 3.36Å; A111-K115 PolarHBondContact O-N 3.25Å; K115-E117 HydrophobicContact CB-CG 4.18Å; K115-E117 VanDerWaalsContact CD-OE1 3.28Å; K115-E117 WeakPolarHBondContact CD-OE1 3.38Å; K115-E117 IonicContact NZ-OE1 3.29Å |
| 116 | G | 79.8 | Confident | 87.5 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | trans | 74.9 | 25.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A111 V112 A118 | A111-G116 PolarHBondContact O-N 2.72Å; V112-G116 VanDerWaalsContact O-CA 3.25Å; V112-G116 WeakPolarHBondContact O-CA 3.24Å; V112-G116 PolarHBondContact O-N 3.38Å; V112-G116 VanDerWaalsContact O-N 3.08Å; G116-A118 PolarHBondContact O-N 3.4Å | ||
| 117 | E | 82.1 | Confident | 87.6 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | trans | -70.4 | 114 | 179.8 | -67.1 | -172.4 | -139.2 | 0 | 0 | 111.6 | R44 A111 K115 | R44-E117 IonicContact CZ-OE2 3.86Å; R44-E117 VanDerWaalsContact CZ-OE2 3.27Å; R44-E117 IonicContact NH1-OE2 3.87Å; R44-E117 PolarHBondContact NH1-OE2 3.41Å; R44-E117 IonicContact NH2-OE2 2.67Å; R44-E117 PolarHBondContact NH2-OE2 3.16Å; A111-E117 HydrophobicContact CB-CB 4.47Å; A111-E117 WeakPolarHBondContact O-CB 3.28Å; A111-E117 PolarHBondContact O-N 3.47Å; K115-E117 HydrophobicContact CB-CG 4.18Å; K115-E117 VanDerWaalsContact CD-OE1 3.28Å; K115-E117 WeakPolarHBondContact CD-OE1 3.38Å; K115-E117 IonicContact NZ-OE1 3.29Å | ||
| 118 | A | 69.1 | Low | 87.7 | Confident | 93 Ų | 93 | 62.8 Ų | 62.8 | 77% | 0.769 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -78.8 | -33.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G116 F120 | G116-A118 PolarHBondContact O-N 3.4Å; A118-F120 VanDerWaalsContact C-N 3.32Å; A118-F120 PolarHBondContact O-N 2.87Å; A118-F120 VanDerWaalsContact O-N 3.13Å |
| 119 | N | 72 | Confident | 87.9 | Confident | 117 Ų | 117 | 61.3 Ų | 61.3 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -90.3 | 65.6 | -176.9 | -66.6 | -6.5 | 0 | 0 | 0 | 110.6 | R44 | R44-N119 PolarHBondContact NH1-O 3.4Š|
| 120 | F | 83.3 | Confident | 88.1 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | trans | -136.4 | 152.6 | -177 | -146.3 | -92.5 | 0 | 0 | 0 | 112.2 | M35 Y107 R108 A111 V112 A118 | M35-F120 HydrophobicContact CE-CE2 4.07Å; M35-F120 HydrophobicContact CE-CZ 4.04Å; M35-F120 HydrophobicContact SD-CE2 4.28Å; Y107-F120 HydrophobicContact CD1-CE1 4.46Å; Y107-F120 AromaticContact CD1-CZ 3.73Å; Y107-F120 HydrophobicContact CD1-CZ 3.73Å; Y107-F120 HydrophobicContact CE1-CE2 4.02Å; Y107-F120 AromaticContact CE1-CZ 3.51Å; Y107-F120 HydrophobicContact CE1-CZ 3.51Å; R108-F120 HydrophobicContact CB-CD1 4.34Å; R108-F120 HydrophobicContact CB-CE1 4.11Å; R108-F120 HydrophobicContact CG-CD1 3.91Å; R108-F120 HydrophobicContact CG-CE1 4.18Å; A111-F120 HydrophobicContact CB-CD1 4.41Å; A111-F120 HydrophobicContact CB-CD2 3.97Å; A111-F120 HydrophobicContact CB-CE1 4.36Å; A111-F120 HydrophobicContact CB-CE2 3.94Å; A111-F120 HydrophobicContact CB-CG 4.23Å; A111-F120 HydrophobicContact CB-CZ 4.15Å; V112-F120 HydrophobicContact CG2-CB 3.88Å; V112-F120 HydrophobicContact CG2-CD1 4.33Å; V112-F120 HydrophobicContact CG2-CG 4.34Å; A118-F120 VanDerWaalsContact C-N 3.32Å; A118-F120 PolarHBondContact O-N 2.87Å; A118-F120 VanDerWaalsContact O-N 3.13Å | ||
| 121 | F | 90 | Very high | 88.3 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 1% | 0.013 | 34% | 0.339 | C | S | . | . | trans | -70.4 | 147.5 | -178.8 | 50.7 | -104.3 | 0 | 0 | 0 | 112.3 | M35 G75 P78 L104 R108 M125 I126 | M35-F121 HydrophobicContact CE-CE1 3.99Å; G75-F121 WeakPolarHBondContact O-CE1 3.33Å; P78-F121 HydrophobicContact CB-CB 4.15Å; P78-F121 HydrophobicContact CB-CD1 4Å; P78-F121 HydrophobicContact CB-CD2 3.88Å; P78-F121 HydrophobicContact CB-CE1 4.32Å; P78-F121 HydrophobicContact CB-CE2 4.23Å; P78-F121 HydrophobicContact CB-CG 3.75Å; P78-F121 HydrophobicContact CB-CZ 4.43Å; P78-F121 HydrophobicContact CG-CD1 4.38Å; P78-F121 HydrophobicContact CG-CD2 4.14Å; P78-F121 HydrophobicContact CG-CE1 4.2Å; P78-F121 HydrophobicContact CG-CE2 3.96Å; P78-F121 HydrophobicContact CG-CG 4.34Å; P78-F121 HydrophobicContact CG-CZ 3.99Å; L104-F121 HydrophobicContact CB-CE2 4.47Å; L104-F121 HydrophobicContact CD2-CE2 4.44Å; L104-F121 HydrophobicContact CD2-CZ 3.94Å; R108-F121 HydrophobicContact CB-CE2 4.42Å; R108-F121 WeakPolarHBondContact CD-O 3.43Å; R108-F121 WeakPolarHBondContact CG-O 3.23Å; F121-M125 HydrophobicContact CB-CB 4.35Å; F121-M125 HydrophobicContact CB-CE 3.54Å; F121-M125 HydrophobicContact CB-SD 3.97Å; F121-I126 HydrophobicContact CD2-CD1 3.9Å; F121-I126 HydrophobicContact CD2-CG1 3.62Å; F121-I126 HydrophobicContact CE2-CD1 3.74Å; F121-I126 HydrophobicContact CE2-CG1 3.75Å | ||
| 122 | T | 93.4 | Very high | 88.7 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | trans | -86 | 160.4 | -179.3 | 69.5 | 0 | 0 | 0 | 0 | 112 | Q124 M125 I126 | T122-Q124 PolarHBondContact O-N 3.05Å; T122-Q124 VanDerWaalsContact O-N 3.11Å; T122-Q124 PolarHBondContact OG1-N 3.33Å; T122-M125 HydrophobicContact CG2-SD 4.16Å; T122-M125 PolarHBondContact N-SD 3.03Å; T122-M125 WeakPolarHBondContact O-CB 3.44Å; T122-M125 PolarHBondContact O-N 3.29Å; T122-M125 VanDerWaalsContact O-N 3.07Å; T122-M125 WeakPolarHBondContact OG1-CG 3.47Å; T122-M125 PolarHBondContact OG1-N 3.1Å; T122-I126 PolarHBondContact O-N 3.33Å; T122-I126 VanDerWaalsContact O-N 3.13Å | ||
| 123 | S | 94 | Very high | 89 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.5 | -25.2 | 171 | -55.6 | 0 | 0 | 0 | 0 | 113.6 | E105 R108 K127 | E105-S123 VanDerWaalsContact CD-OG 3.26Å; E105-S123 PolarHBondContact OE1-OG 3.41Å; E105-S123 WeakPolarHBondContact OE2-CB 3.42Å; E105-S123 PolarHBondContact OE2-OG 3.31Å; R108-S123 PolarHBondContact NE-OG 2.86Å; S123-K127 WeakPolarHBondContact O-CG 3.34Å; S123-K127 PolarHBondContact O-N 3.43Å |
| 124 | Q | 95.1 | Very high | 89.5 | Confident | 93 Ų | 93 | 61 Ų | 61 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -73.4 | -44.8 | 176.3 | -173.2 | 51 | 42.5 | 0 | 0 | 110.7 | T122 I126 K127 D128 | T122-Q124 PolarHBondContact O-N 3.05Å; T122-Q124 VanDerWaalsContact O-N 3.11Å; T122-Q124 PolarHBondContact OG1-N 3.33Å; Q124-I126 VanDerWaalsContact C-N 3.3Å; Q124-I126 PolarHBondContact O-N 3.3Å; Q124-K127 WeakPolarHBondContact O-CB 3.13Å; Q124-K127 PolarHBondContact O-N 2.98Å; Q124-D128 WeakPolarHBondContact CG-OD2 3.36Å; Q124-D128 VanDerWaalsContact NE2-CG 3.27Å; Q124-D128 PolarHBondContact NE2-OD1 3.25Å; Q124-D128 VanDerWaalsContact NE2-OD1 3.1Å; Q124-D128 PolarHBondContact NE2-OD2 3.49Å; Q124-D128 PolarHBondContact O-N 3.42Å |
| 125 | M | 95.9 | Very high | 90.3 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 14% | 0.143 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -37 | 175 | -65.4 | 160.5 | 66.4 | 0 | 0 | 112.8 | E82 M83 F121 T122 K127 D128 C129 | E82-M125 HydrophobicContact CB-CB 3.97Å; E82-M125 HydrophobicContact CB-CE 3.66Å; E82-M125 HydrophobicContact CB-CG 3.85Å; E82-M125 HydrophobicContact CG-CB 3.78Å; E82-M125 HydrophobicContact CG-CG 4.12Å; M83-M125 HydrophobicContact CB-CE 4.44Å; M83-M125 HydrophobicContact CE-CE 3.77Å; M83-M125 HydrophobicContact CE-SD 4.22Å; M83-M125 HydrophobicContact CG-CE 3.55Å; M83-M125 HydrophobicContact SD-CE 3.72Å; F121-M125 HydrophobicContact CB-CB 4.35Å; F121-M125 HydrophobicContact CB-CE 3.54Å; F121-M125 HydrophobicContact CB-SD 3.97Å; T122-M125 HydrophobicContact CG2-SD 4.16Å; T122-M125 PolarHBondContact N-SD 3.03Å; T122-M125 WeakPolarHBondContact O-CB 3.44Å; T122-M125 PolarHBondContact O-N 3.29Å; T122-M125 VanDerWaalsContact O-N 3.07Å; T122-M125 WeakPolarHBondContact OG1-CG 3.47Å; T122-M125 PolarHBondContact OG1-N 3.1Å; M125-K127 VanDerWaalsContact C-N 3.35Å; M125-K127 PolarHBondContact O-N 2.86Å; M125-D128 PolarHBondContact O-N 3.29Å; M125-C129 VanDerWaalsContact O-CB 3.23Å; M125-C129 WeakPolarHBondContact O-CB 3.49Å; M125-C129 PolarHBondContact O-N 2.93Å |
| 126 | I | 96.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 172.9 | -59.3 | 170.5 | 0 | 0 | 0 | 110 | P78 P101 L104 E105 R108 F121 T122 Q124 D128 M130 | P78-I126 HydrophobicContact CB-CG1 4.33Å; P78-I126 HydrophobicContact CG-CG1 4.19Å; P101-I126 HydrophobicContact CB-CG2 4.34Å; L104-I126 HydrophobicContact CB-CD1 4.02Å; L104-I126 HydrophobicContact CB-CG1 4.35Å; L104-I126 HydrophobicContact CB-CG2 4.1Å; L104-I126 HydrophobicContact CD1-CG2 4.2Å; E105-I126 HydrophobicContact CB-CD1 4.34Å; R108-I126 HydrophobicContact CB-CD1 4.42Å; F121-I126 HydrophobicContact CD2-CD1 3.9Å; F121-I126 HydrophobicContact CD2-CG1 3.62Å; F121-I126 HydrophobicContact CE2-CD1 3.74Å; F121-I126 HydrophobicContact CE2-CG1 3.75Å; T122-I126 PolarHBondContact O-N 3.33Å; T122-I126 VanDerWaalsContact O-N 3.13Å; Q124-I126 VanDerWaalsContact C-N 3.3Å; Q124-I126 PolarHBondContact O-N 3.3Å; I126-D128 PolarHBondContact O-N 3.1Å; I126-M130 WeakPolarHBondContact O-CB 3.45Å; I126-M130 VanDerWaalsContact O-CG 3.24Å; I126-M130 WeakPolarHBondContact O-CG 3.18Å; I126-M130 PolarHBondContact O-N 2.93Å |
| 127 | K | 96.5 | Very high | 91.6 | Very high | 124 Ų | 124 | 52.1 Ų | 52.1 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 178.4 | -67.3 | 168 | -172.7 | 174.4 | 0 | 112.1 | S123 Q124 M125 M130 K131 | S123-K127 WeakPolarHBondContact O-CG 3.34Å; S123-K127 PolarHBondContact O-N 3.43Å; Q124-K127 WeakPolarHBondContact O-CB 3.13Å; Q124-K127 PolarHBondContact O-N 2.98Å; M125-K127 VanDerWaalsContact C-N 3.35Å; M125-K127 PolarHBondContact O-N 2.86Å; K127-M130 PolarHBondContact O-N 3.17Å; K127-K131 WeakPolarHBondContact O-CG 3.3Å; K127-K131 PolarHBondContact O-N 2.86Å |
| 128 | D | 96.3 | Very high | 92 | Very high | 42 Ų | 42 | 55.2 Ų | 55.2 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71 | -40.9 | -177.4 | -66 | -36.1 | 0 | 0 | 0 | 111.8 | Q124 M125 I126 M130 K131 | Q124-D128 WeakPolarHBondContact CG-OD2 3.36Å; Q124-D128 VanDerWaalsContact NE2-CG 3.27Å; Q124-D128 PolarHBondContact NE2-OD1 3.25Å; Q124-D128 VanDerWaalsContact NE2-OD1 3.1Å; Q124-D128 PolarHBondContact NE2-OD2 3.49Å; Q124-D128 PolarHBondContact O-N 3.42Å; M125-D128 PolarHBondContact O-N 3.29Å; I126-D128 PolarHBondContact O-N 3.1Å; D128-M130 PolarHBondContact O-N 3.43Å; D128-K131 WeakPolarHBondContact O-CB 3.34Å; D128-K131 PolarHBondContact O-N 2.9Å; D128-K131 WeakPolarHBondContact OD1-CE 3.12Å; D128-K131 IonicContact OD1-NZ 2.65Å; D128-K131 PolarHBondContact OD1-NZ 3.02Å |
| 129 | C | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58 | -46.3 | 168.6 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | P78 S81 E82 M125 K131 K132 | P78-C129 HydrophobicContact CB-CB 4.49Å; S81-C129 VanDerWaalsContact CB-SG 3.56Å; E82-C129 HydrophobicContact CG-CB 4.47Å; M125-C129 VanDerWaalsContact O-CB 3.23Å; M125-C129 WeakPolarHBondContact O-CB 3.49Å; M125-C129 PolarHBondContact O-N 2.93Å; C129-K131 PolarHBondContact O-N 3.47Å; C129-K132 WeakPolarHBondContact O-CB 3.46Å; C129-K132 PolarHBondContact O-N 3.41Å |
| 130 | M | 96.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 56.3 Ų | 56.3 | 14% | 0.138 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.4 | -18 | 179.3 | -69.3 | -57.3 | -55.7 | 0 | 0 | 114.4 | M92 Q97 P101 I126 K127 D128 K132 V133 | M92-M130 HydrophobicContact SD-CE 4.27Å; Q97-M130 HydrophobicContact CG-CE 3.69Å; P101-M130 HydrophobicContact CB-CG 4.12Å; P101-M130 HydrophobicContact CG-CE 4.36Å; I126-M130 WeakPolarHBondContact O-CB 3.45Å; I126-M130 VanDerWaalsContact O-CG 3.24Å; I126-M130 WeakPolarHBondContact O-CG 3.18Å; I126-M130 PolarHBondContact O-N 2.93Å; K127-M130 PolarHBondContact O-N 3.17Å; D128-M130 PolarHBondContact O-N 3.43Å; M130-K132 VanDerWaalsContact C-N 3.32Å; M130-V133 HydrophobicContact CE-CB 4.31Å; M130-V133 HydrophobicContact CE-CG1 4.4Å; M130-V133 HydrophobicContact CE-CG2 3.99Å; M130-V133 WeakPolarHBondContact O-CB 3.45Å; M130-V133 PolarHBondContact O-N 3.21Å; M130-V133 HydrophobicContact SD-CG2 4Å |
| 131 | K | 95.9 | Very high | 94.2 | Very high | 150 Ų | 150 | 60 Ų | 60 | 65% | 0.652 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71 | -26.3 | 170.7 | -68.3 | 166.8 | -170.3 | 169.3 | 0 | 112.7 | K127 D128 C129 V133 | K127-K131 WeakPolarHBondContact O-CG 3.3Å; K127-K131 PolarHBondContact O-N 2.86Å; D128-K131 WeakPolarHBondContact O-CB 3.34Å; D128-K131 PolarHBondContact O-N 2.9Å; D128-K131 WeakPolarHBondContact OD1-CE 3.12Å; D128-K131 IonicContact OD1-NZ 2.65Å; D128-K131 PolarHBondContact OD1-NZ 3.02Å; C129-K131 PolarHBondContact O-N 3.47Å; K131-V133 PolarHBondContact O-N 3.17Å |
| 132 | K | 94.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -5.9 | 177.6 | -59.1 | 168.9 | 178.4 | 174.7 | 0 | 112.6 | S81 E82 Y86 D87 I90 C129 M130 | S81-K132 WeakPolarHBondContact OG-CD 3.25Å; S81-K132 PolarHBondContact OG-NZ 2.8Å; E82-K132 WeakPolarHBondContact OE1-CE 3.49Å; E82-K132 IonicContact OE1-NZ 3.37Å; E82-K132 PolarHBondContact OE1-NZ 2.85Å; E82-K132 IonicContact OE2-NZ 3.49Å; Y86-K132 PolarHBondContact O-NZ 3.19Å; D87-K132 WeakPolarHBondContact OD1-CE 3.36Å; D87-K132 IonicContact OD1-NZ 2.67Å; D87-K132 PolarHBondContact OD1-NZ 3.44Å; I90-K132 HydrophobicContact CD1-CB 4.2Å; I90-K132 PolarHBondContact N-O 3.46Å; C129-K132 WeakPolarHBondContact O-CB 3.46Å; C129-K132 PolarHBondContact O-N 3.41Å; M130-K132 VanDerWaalsContact C-N 3.32Å |
| 133 | V | 96.3 | Very high | 93.9 | Very high | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.6 | -174.7 | 175.9 | 0 | 0 | 0 | 0 | 112 | I90 M92 Q97 M130 K131 | I90-V133 HydrophobicContact CB-CG2 4.16Å; I90-V133 HydrophobicContact CG2-CG2 4.2Å; I90-V133 CarbonylContact O-C 3.54Å; I90-V133 VanDerWaalsContact O-CA 3.32Å; I90-V133 WeakPolarHBondContact O-CA 3.25Å; M92-V133 HydrophobicContact CE-CB 4.3Å; M92-V133 HydrophobicContact CE-CG1 3.65Å; M92-V133 HydrophobicContact CE-CG2 3.58Å; M92-V133 HydrophobicContact CG-CG1 3.56Å; M92-V133 HydrophobicContact SD-CG1 3.69Å; M92-V133 HydrophobicContact SD-CG2 4.46Å; Q97-V133 HydrophobicContact CG-CG1 3.93Å; M130-V133 HydrophobicContact CE-CB 4.31Å; M130-V133 HydrophobicContact CE-CG1 4.4Å; M130-V133 HydrophobicContact CE-CG2 3.99Å; M130-V133 WeakPolarHBondContact O-CB 3.45Å; M130-V133 PolarHBondContact O-N 3.21Å; M130-V133 HydrophobicContact SD-CG2 4Å; K131-V133 PolarHBondContact O-N 3.17Å |
| 134 | V | 95.9 | Very high | 93.4 | Very high | 66 Ų | 66 | 60.3 Ų | 60.3 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.1 | 171.3 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | I90 Y91 M92 | I90-V134 PolarHBondContact O-N 3.2Å; Y91-V134 HydrophobicContact CD1-CB 3.79Å; Y91-V134 HydrophobicContact CD1-CG1 4.06Å; Y91-V134 HydrophobicContact CE1-CB 3.7Å; Y91-V134 HydrophobicContact CE1-CG1 3.77Å; Y91-V134 HydrophobicContact CE1-CG2 4.27Å; M92-V134 PolarHBondContact N-O 3.26Å |
| 135 | A | 95.6 | Very high | 92.2 | Very high | 24 Ų | 24 | 67.2 Ų | 67.2 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 141.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M92 H94 Q97 | M92-A135 WeakPolarHBondContact O-CA 3.4Å; H94-A135 WeakPolarHBondContact CE1-CB 3.4Å; Q97-A135 VanDerWaalsContact OE1-CB 3.3Å |
| 136 | V | 95.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 67.5 Ų | 67.5 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.7 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 112 | Y91 M92 T93 H94 V142 V282 | Y91-V136 HydrophobicContact CD1-CG1 3.91Å; M92-V136 PolarHBondContact O-N 3.4Å; T93-V136 WeakPolarHBondContact CA-O 3.37Å; H94-V136 PolarHBondContact CD2-O 3.37Å; H94-V136 PolarHBondContact N-O 2.98Å; V136-V142 HydrophobicContact CB-CG2 4.46Å; V136-V142 HydrophobicContact CG1-CG2 3.72Å; V136-V282 HydrophobicContact CB-CG2 4.34Å; V136-V282 HydrophobicContact CG2-CG2 3.48Å; V136-V282 VanDerWaalsContact CG2-CG2 3.48Å |
| 137 | H | 93.4 | Very high | 88.7 | Confident | 114 Ų | 114 | 73.1 Ų | 73.1 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | trans | -84.9 | 156 | 170.3 | -59.6 | -74.2 | 0 | 0 | 0 | 111.4 | H94 Q140 | H94-H137 AromaticContact CD2-CE1 3.51Å; H94-H137 AromaticContact CD2-CG 3.97Å; H94-H137 AromaticContact CD2-ND1 3.41Å; H94-H137 PolarHBondContact CD2-ND1 3.47Å; H94-H137 AromaticContact NE2-CD2 3.91Å; H94-H137 AromaticContact NE2-CE1 3.26Å; H94-H137 PolarHBondContact NE2-CE1 3.01Å; H94-H137 VanDerWaalsContact NE2-CE1 3.26Å; H94-H137 AromaticContact NE2-CG 3.98Å; H94-H137 AromaticContact NE2-ND1 3.6Å; H94-H137 AromaticContact NE2-NE2 3.49Å; H94-H137 PolarHBondContact NE2-NE2 2.9Å; H137-Q140 HydrophobicContact CB-CB 4.11Å; H137-Q140 PolarHBondContact CD2-OE1 3.13Å; H137-Q140 WeakPolarHBondContact O-CB 3.36Å; H137-Q140 PolarHBondContact O-N 3.5Å; H137-Q140 VanDerWaalsContact O-N 3.13Å | ||
| 138 | L | 90.8 | Very high | 86.2 | Confident | 89 Ų | 89 | 69.6 Ų | 69.6 | 47% | 0.466 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 139.8 | 170 | -64 | 176.3 | 0 | 0 | 0 | 110.3 | T93 Q140 V282 | T93-L138 HydrophobicContact CG2-CD2 4.33Å; L138-Q140 PolarHBondContact O-N 3.48Å; L138-V282 HydrophobicContact CD2-CG1 3.99Å |
| 139 | H | 89.9 | Confident | 83.6 | Confident | 159 Ų | 159 | 73.1 Ų | 73.1 | 74% | 0.736 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 3.3 | -173.9 | -46.1 | 146 | 0 | 0 | 0 | 115.7 | T141 V282 | H139-T141 PolarHBondContact O-N 3.36Å; H139-V282 PolarHBondContact N-O 3.31Å |
| 140 | Q | 89.6 | Confident | 80.8 | Confident | 74 Ų | 74 | 82.6 Ų | 82.6 | 35% | 0.346 | 43% | 0.426 | S | S | . | . | trans | -65.8 | 133.1 | 170.1 | -173.9 | 177.1 | -6.3 | 0 | 0 | 109.3 | H137 L138 V142 | H137-Q140 HydrophobicContact CB-CB 4.11Å; H137-Q140 PolarHBondContact CD2-OE1 3.13Å; H137-Q140 WeakPolarHBondContact O-CB 3.36Å; H137-Q140 PolarHBondContact O-N 3.5Å; H137-Q140 VanDerWaalsContact O-N 3.13Å; L138-Q140 PolarHBondContact O-N 3.48Å; Q140-V142 HydrophobicContact CG-CG2 4.09Å | ||
| 141 | T | 90.8 | Very high | 78 | Confident | 89 Ų | 89 | 88.8 Ų | 88.8 | 55% | 0.546 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 117 | 171.6 | -67.7 | 0 | 0 | 0 | 0 | 109 | H139 V279 L280 | H139-T141 PolarHBondContact O-N 3.36Å; T141-V279 HydrophobicContact CG2-CG1 3.23Å; T141-L280 WeakPolarHBondContact CA-O 3.45Å |
| 142 | V | 89.9 | Confident | 75.1 | Confident | 22 Ų | 22 | 85.6 Ų | 85.6 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.3 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | Y91 V136 Q140 L280 | Y91-V142 HydrophobicContact CE1-CG1 3.87Å; V136-V142 HydrophobicContact CB-CG2 4.46Å; V136-V142 HydrophobicContact CG1-CG2 3.72Å; Q140-V142 HydrophobicContact CG-CG2 4.09Å; V142-L280 PolarHBondContact N-O 2.92Å; V142-L280 PolarHBondContact O-N 2.65Å |
| 143 | Q | 87.4 | Confident | 72.7 | Confident | 96 Ų | 96 | 93.2 Ų | 93.2 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 109.6 | 171.6 | -61.4 | -62.7 | -17.6 | 0 | 0 | 108.3 | R145 C277 L278 | Q143-R145 PolarHBondContact O-N 3.01Å; Q143-C277 PolarHBondContact OE1-SG 2.74Å; Q143-L278 PolarHBondContact OE1-O 3.11Å |
| 144 | V | 84 | Confident | 70 | Confident | 2 Ų | 2 | 97.1 Ų | 97.1 | 1% | 0.012 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 114.3 | 177.5 | -168.3 | 0 | 0 | 0 | 0 | 108.2 | C63 P89 Y91 F146 L278 L280 | C63-V144 HydrophobicContact CB-CG1 4.22Å; P89-V144 HydrophobicContact CG-CG1 4.41Å; Y91-V144 HydrophobicContact CE2-CG1 4.05Å; Y91-V144 HydrophobicContact CE2-CG2 3.76Å; V144-F146 HydrophobicContact CB-CD1 4.42Å; V144-F146 HydrophobicContact CB-CE1 3.57Å; V144-F146 HydrophobicContact CB-CZ 3.72Å; V144-F146 HydrophobicContact CG1-CD1 3.86Å; V144-F146 HydrophobicContact CG1-CE1 3.24Å; V144-F146 HydrophobicContact CG1-CZ 3.94Å; V144-F146 PolarHBondContact O-N 3.23Å; V144-L278 PolarHBondContact N-O 3.41Å; V144-L280 HydrophobicContact CG2-CD1 3.54Å; V144-L280 HydrophobicContact CG2-CG 3.8Å |
| 145 | R | 69.6 | Low | 66.9 | Low | 237 Ų | 237 | 101.7 Ų | 101.7 | 89% | 0.894 | 55% | 0.546 | S | S | * | . | trans | -84.1 | 97.7 | 178 | -70.3 | -173.7 | -177.5 | 179.8 | 1.5 | 109.3 | Q143 | Q143-R145 PolarHBondContact O-N 3.01Š| ||
| 146 | F | 65.8 | Low | 64.5 | Low | 35 Ų | 35 | 106 Ų | 106 | 15% | 0.154 | 57% | 0.572 | C | S | . | * | P | Polyproline II helix | trans | -72.6 | 134.7 | 170.7 | -46.1 | -55.3 | 0 | 0 | 0 | 109.4 | K27 D62 V144 G148 L278 | K27-F146 HydrophobicContact CD-CD2 3.86Å; K27-F146 HydrophobicContact CD-CE2 3.8Å; K27-F146 HydrophobicContact CD-CG 4.26Å; K27-F146 HydrophobicContact CD-CZ 4.19Å; K27-F146 HydrophobicContact CG-CE2 4.2Å; D62-F146 HydrophobicContact CB-CD1 3.75Å; D62-F146 HydrophobicContact CB-CE1 3.46Å; D62-F146 VanDerWaalsContact CB-CE1 3.46Å; D62-F146 HydrophobicContact CB-CZ 4.2Å; D62-F146 WeakPolarHBondContact OD1-CD1 3.33Å; D62-F146 WeakPolarHBondContact OD1-CG 3.15Å; V144-F146 HydrophobicContact CB-CD1 4.42Å; V144-F146 HydrophobicContact CB-CE1 3.57Å; V144-F146 HydrophobicContact CB-CZ 3.72Å; V144-F146 HydrophobicContact CG1-CD1 3.86Å; V144-F146 HydrophobicContact CG1-CE1 3.24Å; V144-F146 HydrophobicContact CG1-CZ 3.94Å; V144-F146 PolarHBondContact O-N 3.23Å; F146-G148 PolarHBondContact O-N 3.49Å; F146-G148 VanDerWaalsContact O-N 3.08Å; F146-L278 HydrophobicContact CE2-CB 3.73Å; F146-L278 HydrophobicContact CZ-CB 3.51Å; F146-L278 HydrophobicContact CZ-CD2 4.04Å; F146-L278 HydrophobicContact CZ-CG 4.44Å |
| 147 | P | 51.8 | Low | 61.5 | Low | 124 Ų | 124 | 112.2 Ų | 112.2 | 81% | 0.805 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 116.6 | 154.7 | -12.3 | 26.7 | 0 | 0 | 0 | 106.2 | ||
| 148 | G | 44.9 | Very low | 59 | Low | 50 Ų | 50 | 112.2 Ų | 112.2 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 161 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F146 Q150 | F146-G148 PolarHBondContact O-N 3.49Å; F146-G148 VanDerWaalsContact O-N 3.08Å; G148-Q150 PolarHBondContact O-N 3.02Å |
| 149 | P | 42.3 | Very low | 56.6 | Low | 116 Ų | 116 | 114.4 Ų | 114.4 | 75% | 0.753 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 133.2 | 160.1 | 25.8 | -33.6 | 0 | 0 | 0 | 107.6 | L151 | P149-L151 VanDerWaalsContact C-N 3.28Å; P149-L151 PolarHBondContact O-N 3.1Å |
| 150 | Q | 36.7 | Very low | 54.2 | Low | 200 Ų | 200 | 111.8 Ų | 111.8 | 94% | 0.935 | 64% | 0.635 | S | S | * | * | trans | -62.9 | 95.6 | 177.1 | -70.8 | -178.3 | -1.9 | 0 | 0 | 107.9 | G148 A152 | G148-Q150 PolarHBondContact O-N 3.02Å; Q150-A152 PolarHBondContact O-N 3.47Å | ||
| 151 | L | 38.2 | Very low | 51.8 | Low | 158 Ų | 158 | 114.8 Ų | 114.8 | 83% | 0.827 | 66% | 0.659 | S | S | * | * | trans | -62.6 | 107.6 | 174.8 | -81.1 | 164.7 | 0 | 0 | 0 | 107.2 | P149 Q153 | P149-L151 VanDerWaalsContact C-N 3.28Å; P149-L151 PolarHBondContact O-N 3.1Å; L151-Q153 PolarHBondContact O-N 2.9Å | ||
| 152 | A | 34.6 | Very low | 49 | Very low | 84 Ų | 84 | 118.7 Ų | 118.7 | 69% | 0.694 | 67% | 0.673 | S | S | * | * | trans | -50.6 | 134.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q150 S154 | Q150-A152 PolarHBondContact O-N 3.47Å; A152-S154 PolarHBondContact O-N 3.47Å | ||
| 153 | Q | 43.3 | Very low | 46.5 | Very low | 199 Ų | 199 | 123.5 Ų | 123.5 | 93% | 0.93 | 71% | 0.705 | S | S | * | * | trans | -68.3 | 100.6 | -176 | -65.1 | 174.3 | 0.3 | 0 | 0 | 110.2 | L151 | L151-Q153 PolarHBondContact O-N 2.9Š| ||
| 154 | S | 39.4 | Very low | 44.2 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | -152.7 | 108.7 | 165.5 | 48.1 | 0 | 0 | 0 | 0 | 114.4 | A152 | A152-S154 PolarHBondContact O-N 3.47Š| ||
| 155 | L | 32.6 | Very low | 41.9 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | 72.4 | 144.8 | 149.6 | -65 | 159.1 | 0 | 0 | 0 | 119.5 | ||||
| 156 | P | 44 | Very low | 40.2 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -88 | 141.9 | 178.7 | 35.7 | -33.6 | 0 | 0 | 0 | 111.8 | ||||
| 157 | T | 33.4 | Very low | 38.7 | Very low | 138 Ų | 138 | 128 Ų | 128 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -158.6 | 166.3 | 165.4 | 9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 158 | P | 39.3 | Very low | 38 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | -94.9 | 172.5 | -124.8 | 36.9 | -38.5 | 0 | 0 | 0 | 115.7 | |||||
| 159 | T | 40.2 | Very low | 37.7 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -42.9 | 125.1 | 177.1 | 37.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 160 | P | 40.4 | Very low | 37.2 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 139.6 | 174.4 | 32.7 | -33.3 | 0 | 0 | 0 | 112.5 | ||
| 161 | T | 39.5 | Very low | 37.2 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 85% | 0.847 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 146.9 | 165.4 | 40.9 | 0 | 0 | 0 | 0 | 111 | ||
| 162 | M | 32.5 | Very low | 37.2 | Very low | 170 Ų | 170 | 127.6 Ų | 127.6 | 84% | 0.837 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 145 | -173.5 | -68.1 | -93.8 | -92.7 | 0 | 0 | 113.1 | ||
| 163 | P | 36 | Very low | 37.7 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | trans | -118.9 | 143.9 | 143.6 | 34.9 | -27.2 | 0 | 0 | 0 | 112.1 | ||||
| 164 | S | 39.1 | Very low | 37.4 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 87% | 0.867 | 67% | 0.668 | S | S | * | * | trans | -104.1 | 120.4 | -177.2 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 165 | A | 36.3 | Very low | 37.4 | Very low | 95 Ų | 95 | 113.5 Ų | 113.5 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | trans | -157.5 | 134.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 166 | R | 33.4 | Very low | 37.7 | Very low | 209 Ų | 209 | 107.9 Ų | 107.9 | 79% | 0.789 | 61% | 0.614 | S | S | * | * | trans | -108.6 | 137.2 | 168.1 | -67.9 | -178.5 | 179.2 | -172.1 | -1.7 | 108.6 | ||||
| 167 | S | 34.8 | Very low | 37.7 | Very low | 37 Ų | 37 | 108.4 Ų | 108.4 | 26% | 0.259 | 60% | 0.601 | S | S | . | * | trans | -118.1 | 147.3 | 164.8 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 168 | T | 36.9 | Very low | 38 | Very low | 51 Ų | 51 | 103.7 Ų | 103.7 | 31% | 0.313 | 57% | 0.572 | S | S | . | * | trans | -145 | 130.3 | 172.4 | -59.1 | 0 | 0 | 0 | 0 | 106.3 | F170 R177 | T168-F170 HydrophobicContact CG2-CD2 4.47Å; T168-F170 HydrophobicContact CG2-CE2 4.11Å; T168-R177 HydrophobicContact CG2-CG 4.05Å; T168-R177 WeakPolarHBondContact OG1-CG 3.46Å; T168-R177 PolarHBondContact OG1-NH1 3.37Å | ||
| 169 | Q | 38.1 | Very low | 37.7 | Very low | 128 Ų | 128 | 100.2 Ų | 100.2 | 60% | 0.598 | 55% | 0.55 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.8 | 169.3 | -74.7 | -178.6 | -17.6 | 0 | 0 | 107.9 | ||
| 170 | F | 32.2 | Very low | 37.1 | Very low | 154 Ų | 154 | 97.6 Ų | 97.6 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.2 | 174.2 | -75.2 | -93.4 | 0 | 0 | 0 | 107.6 | T168 | T168-F170 HydrophobicContact CG2-CD2 4.47Å; T168-F170 HydrophobicContact CG2-CE2 4.11Å |
| 171 | L | 36.4 | Very low | 36.8 | Very low | 112 Ų | 112 | 96.9 Ų | 96.9 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 147.4 | 160.5 | -83.1 | 157.2 | 0 | 0 | 0 | 106.3 | G173 W174 | L171-G173 PolarHBondContact O-N 3.16Å; L171-G173 VanDerWaalsContact O-N 3.08Å; L171-W174 PolarHBondContact O-N 3.1Å |
| 172 | E | 39.5 | Very low | 36.5 | Very low | 194 Ų | 194 | 97.1 Ų | 97.1 | 91% | 0.907 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | 112.6 | -160.5 | -60 | -175.2 | 167.8 | 0 | 0 | 113.4 | ||
| 173 | G | 43.8 | Very low | 36.2 | Very low | 25 Ų | 25 | 95.9 Ų | 95.9 | 26% | 0.258 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -19.7 | -179 | 0 | 0 | 0 | 0 | 0 | 117.1 | L171 G283 | L171-G173 PolarHBondContact O-N 3.16Å; L171-G173 VanDerWaalsContact O-N 3.08Å; G173-G283 CarbonylContact O-C 3.49Å; G173-G283 PolarHBondContact O-N 2.59Å |
| 174 | W | 37.4 | Very low | 36 | Very low | 43 Ų | 43 | 96.1 Ų | 96.1 | 16% | 0.163 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.8 | -171.5 | -67.5 | 99.9 | 0 | 0 | 0 | 114.4 | I65 L171 V282 | I65-W174 HydrophobicContact CG2-CD2 4.34Å; I65-W174 HydrophobicContact CG2-CE3 4.09Å; I65-W174 HydrophobicContact CG2-CH2 3.09Å; I65-W174 HydrophobicContact CG2-CZ2 3.35Å; I65-W174 HydrophobicContact CG2-CZ3 3.47Å; I65-W174 VanDerWaalsContact CG2-CZ3 3.47Å; L171-W174 PolarHBondContact O-N 3.1Å; W174-V282 HydrophobicContact CH2-CB 4.41Å; W174-V282 HydrophobicContact CH2-CG1 3.82Å; W174-V282 HydrophobicContact CH2-CG2 4.09Å; W174-V282 HydrophobicContact CZ3-CB 3.9Å; W174-V282 HydrophobicContact CZ3-CG1 3.76Å; W174-V282 HydrophobicContact CZ3-CG2 3.55Å |
| 175 | G | 39.5 | Very low | 35.4 | Very low | 15 Ų | 15 | 98.3 Ų | 98.3 | 16% | 0.155 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 84.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | G281 | G175-G281 PolarHBondContact N-O 3.25Å; G175-G281 VanDerWaalsContact N-O 3.16Å; G175-G281 PolarHBondContact O-N 3.05Å |
| 176 | L | 39.3 | Very low | 35 | Very low | 43 Ų | 43 | 98 Ų | 98 | 23% | 0.225 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 128.2 | 178.6 | -159.2 | 70.1 | 0 | 0 | 0 | 111.2 | I24 L278 L280 | I24-L176 HydrophobicContact CD1-CD2 4.32Å; I24-L176 HydrophobicContact CG2-CD2 4.03Å; L176-L278 HydrophobicContact CD1-CD1 3.94Å; L176-L278 HydrophobicContact CD1-CD2 4.41Å; L176-L278 HydrophobicContact CD1-CG 4.31Å; L176-L278 HydrophobicContact CD2-CD1 4.34Å; L176-L278 HydrophobicContact CG-CD1 4.1Å; L176-L280 HydrophobicContact CD1-CD2 3.34Å |
| 177 | R | 43.7 | Very low | 34.8 | Very low | 124 Ų | 124 | 93.3 Ų | 93.3 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.9 | 168.8 | -80.2 | -174.4 | -124.4 | -101.5 | 2.6 | 111.1 | T168 V279 | T168-R177 HydrophobicContact CG2-CG 4.05Å; T168-R177 WeakPolarHBondContact OG1-CG 3.46Å; T168-R177 PolarHBondContact OG1-NH1 3.37Å; R177-V279 HydrophobicContact CB-CB 4.16Å; R177-V279 PolarHBondContact N-O 3.1Å; R177-V279 WeakPolarHBondContact O-CA 3.41Å; R177-V279 WeakPolarHBondContact O-CB 3.4Å; R177-V279 PolarHBondContact O-N 3.35Å; R177-V279 VanDerWaalsContact O-O 3.12Å |
| 178 | V | 39.6 | Very low | 34.7 | Very low | 39 Ų | 39 | 96.6 Ų | 96.6 | 24% | 0.236 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.6 | 164.8 | -176.4 | 0 | 0 | 0 | 0 | 106.9 | I24 A25 L278 | I24-V178 HydrophobicContact CD1-CG2 3.65Å; I24-V178 HydrophobicContact CG1-CG2 3.95Å; I24-V178 HydrophobicContact CG2-CG2 4.49Å; A25-V178 HydrophobicContact CB-CG1 4.36Å; V178-L278 HydrophobicContact CG2-CD1 3.84Å |
| 179 | S | 33.5 | Very low | 34.2 | Very low | 40 Ų | 40 | 101 Ų | 101 | 28% | 0.28 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.7 | 135.7 | 176.5 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | C277 | S179-C277 PolarHBondContact N-O 2.76Å; S179-C277 PolarHBondContact O-N 3.17Å |
| 180 | P | 28.1 | Very low | 34.1 | Very low | 82 Ų | 82 | 102.3 Ų | 102.3 | 53% | 0.532 | 58% | 0.582 | S | S | . | * | trans | -65.2 | 150.5 | 170.3 | 29 | -33.9 | 0 | 0 | 0 | 110 | H182 | P180-H182 PolarHBondContact O-N 3.05Š| ||
| 181 | P | 32.9 | Very low | 33.8 | Very low | 87 Ų | 87 | 97.9 Ų | 97.9 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | trans | -63.8 | 124.4 | 175.9 | 26.6 | -33.7 | 0 | 0 | 0 | 110.4 | L183 | P181-L183 PolarHBondContact O-N 3.24Š| ||
| 182 | H | 33.5 | Very low | 33.5 | Very low | 144 Ų | 144 | 99 Ų | 99 | 67% | 0.667 | 59% | 0.591 | S | S | * | * | trans | -77.9 | 115.6 | 171 | -89.6 | -86.1 | 0 | 0 | 0 | 109.8 | P180 T184 | P180-H182 PolarHBondContact O-N 3.05Å; H182-T184 PolarHBondContact O-N 3.08Å | ||
| 183 | L | 27 | Very low | 33 | Very low | 144 Ų | 144 | 96.1 Ų | 96.1 | 75% | 0.754 | 59% | 0.589 | S | S | * | * | trans | -71.6 | 100.4 | 166.2 | -98 | 157.9 | 0 | 0 | 0 | 109.8 | P181 L185 | P181-L183 PolarHBondContact O-N 3.24Å; L183-L185 PolarHBondContact O-N 3.48Å | ||
| 184 | T | 30.8 | Very low | 32.1 | Very low | 129 Ų | 129 | 98.1 Ų | 98.1 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | trans | -78.9 | 102.3 | 164.9 | -23.8 | 0 | 0 | 0 | 0 | 108.3 | H182 A186 | H182-T184 PolarHBondContact O-N 3.08Å; T184-A186 VanDerWaalsContact C-N 3.3Å; T184-A186 PolarHBondContact O-N 3.18Å | ||
| 185 | L | 27.4 | Very low | 31.6 | Very low | 169 Ų | 169 | 99.9 Ų | 99.9 | 89% | 0.885 | 64% | 0.641 | S | S | * | * | trans | -69.3 | 88.6 | 169.7 | -95.8 | 162.2 | 0 | 0 | 0 | 109.4 | L183 S187 | L183-L185 PolarHBondContact O-N 3.48Å; L185-S187 PolarHBondContact O-N 3.32Å | ||
| 186 | A | 27.2 | Very low | 30.9 | Very low | 89 Ų | 89 | 106.4 Ų | 106.4 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | trans | -75.9 | 104.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | T184 | T184-A186 VanDerWaalsContact C-N 3.3Å; T184-A186 PolarHBondContact O-N 3.18Å | ||
| 187 | S | 28.3 | Very low | 30.2 | Very low | 111 Ų | 111 | 109 Ų | 109 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -60.8 | 134.2 | 159.3 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L185 T189 | L185-S187 PolarHBondContact O-N 3.32Å; S187-T189 PolarHBondContact O-N 3.01Å | ||
| 188 | S | 32.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 108 Ų | 108 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -64.6 | 119.9 | -173.8 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 189 | T | 27.8 | Very low | 28.5 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | -162.9 | 153.7 | 145.2 | 7.6 | 0 | 0 | 0 | 0 | 111.4 | S187 | S187-T189 PolarHBondContact O-N 3.01Š| ||
| 190 | V | 34.5 | Very low | 28 | Very low | 155 Ų | 155 | 124 Ų | 124 | 94% | 0.939 | 78% | 0.778 | S | S | * | * | trans | -66.9 | 137.7 | -168.6 | 174.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 191 | G | 27.3 | Very low | 27.8 | Very low | 61 Ų | 61 | 131.1 Ų | 131.1 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | 150 | 105 | 155 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 192 | T | 28.8 | Very low | 27.5 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | 64.3 | 133.8 | 149 | -40 | 0 | 0 | 0 | 0 | 118.8 | G194 | T192-G194 PolarHBondContact O-N 2.87Š| ||
| 193 | P | 30.7 | Very low | 27.2 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -75.7 | 88.3 | -176.5 | 31 | -35.9 | 0 | 0 | 0 | 113.3 | ||||
| 194 | G | 24.1 | Very low | 27.3 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -78.5 | 123 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T192 | T192-G194 PolarHBondContact O-N 2.87Š| ||
| 195 | G | 25.9 | Very low | 27.4 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -71.3 | 134.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 196 | V | 25.3 | Very low | 27.7 | Very low | 152 Ų | 152 | 131 Ų | 131 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -86.2 | 114.7 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 197 | S | 24.5 | Very low | 27.8 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -106.8 | 127.4 | 178.2 | 177 | 0 | 0 | 0 | 0 | 111 | ||||
| 198 | A | 24 | Very low | 27.8 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -92.2 | 126.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 199 | R | 23.2 | Very low | 27.7 | Very low | 237 Ų | 237 | 143.4 Ų | 143.4 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -100.6 | 135.3 | 176.6 | -65.4 | -173.2 | -176.2 | -164.5 | 3.1 | 111.3 | ||||
| 200 | M | 23.6 | Very low | 28.5 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -113 | 132.7 | 159.9 | -169.5 | 73.7 | 172.1 | 0 | 0 | 107.4 | ||||
| 201 | R | 23.4 | Very low | 28.2 | Very low | 231 Ų | 231 | 139 Ų | 139 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -107.1 | 129.7 | 178.4 | -166.5 | -170.7 | -64.3 | -145 | 5.5 | 108.9 | ||||
| 202 | V | 28 | Very low | 28.3 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | -115.8 | 144.7 | 167.2 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 203 | P | 27 | Very low | 28.3 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | trans | -66.3 | 140.6 | -169.2 | -20.4 | 33.1 | 0 | 0 | 0 | 113.1 | ||||
| 204 | D | 28.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 63% | 0.626 | 82% | 0.822 | S | S | * | * | trans | -80.8 | 127.5 | 165.9 | 176.4 | 33.3 | 0 | 0 | 0 | 109.5 | T206 | D204-T206 PolarHBondContact OD1-N 3.05Å; D204-T206 WeakPolarHBondContact OD2-CB 3.42Å; D204-T206 WeakPolarHBondContact OD2-CG2 3.41Å; D204-T206 PolarHBondContact OD2-OG1 3.13Å | ||
| 205 | Q | 33.3 | Very low | 28.4 | Very low | 189 Ų | 189 | 153.8 Ų | 153.8 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -103.5 | 76 | 161.6 | -71.9 | -163.6 | 12.1 | 0 | 0 | 108.7 | G207 | Q205-G207 PolarHBondContact O-N 3.35Š| ||
| 206 | T | 33.8 | Very low | 28.5 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 77% | 0.767 | 83% | 0.828 | S | S | * | * | trans | -68.8 | 105 | 172.6 | 14.2 | 0 | 0 | 0 | 0 | 109.8 | D204 | D204-T206 PolarHBondContact OD1-N 3.05Å; D204-T206 WeakPolarHBondContact OD2-CB 3.42Å; D204-T206 WeakPolarHBondContact OD2-CG2 3.41Å; D204-T206 PolarHBondContact OD2-OG1 3.13Å | ||
| 207 | G | 28.9 | Very low | 28.6 | Very low | 64 Ų | 64 | 158.7 Ų | 158.7 | 66% | 0.66 | 83% | 0.832 | S | S | * | * | trans | -118.5 | -5.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 118 | Q205 | Q205-G207 PolarHBondContact O-N 3.35Š| ||
| 208 | R | 28.5 | Very low | 28.6 | Very low | 254 Ų | 254 | 157.7 Ų | 157.7 | 96% | 0.958 | 84% | 0.837 | S | S | * | * | trans | 173.3 | 157.5 | 157 | -97.7 | 154.8 | -162.7 | -131.3 | 3.8 | 112.8 | ||||
| 209 | R | 30.2 | Very low | 28.6 | Very low | 249 Ų | 249 | 164.1 Ų | 164.1 | 94% | 0.94 | 84% | 0.842 | S | S | * | * | trans | -107 | 173.5 | -177.1 | -101.7 | -167.6 | -178 | -159.2 | 3.2 | 111.9 | ||||
| 210 | P | 44 | Very low | 28.9 | Very low | 124 Ų | 124 | 157.1 Ų | 157.1 | 81% | 0.805 | 83% | 0.834 | S | S | * | * | trans | -99 | 166.8 | -138.9 | 38.8 | -39.5 | 0 | 0 | 0 | 116.4 | ||||
| 211 | G | 27.9 | Very low | 29.4 | Very low | 80 Ų | 80 | 155 Ų | 155 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -121 | 133.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 212 | R | 30.7 | Very low | 29.5 | Very low | 255 Ų | 255 | 148.8 Ų | 148.8 | 96% | 0.962 | 83% | 0.832 | S | S | * | * | trans | -80.9 | 141.5 | 171 | -83.2 | 177.4 | 161 | -155.3 | -2.5 | 110.5 | ||||
| 213 | A | 27.7 | Very low | 29.2 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | -174.2 | 124.3 | 127.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 214 | R | 28.1 | Very low | 29 | Very low | 254 Ų | 254 | 154.9 Ų | 154.9 | 96% | 0.958 | 84% | 0.835 | S | S | * | * | trans | 52.2 | 147.1 | 141.7 | -68.9 | -178.7 | 174.4 | -102.8 | -0 | 122.4 | ||||
| 215 | A | 30.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | trans | -87.2 | 159.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 216 | G | 26.1 | Very low | 28.7 | Very low | 74 Ų | 74 | 150.2 Ų | 150.2 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -162.9 | 128.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 217 | W | 27.6 | Very low | 28.3 | Very low | 261 Ų | 261 | 156.5 Ų | 156.5 | 99% | 0.989 | 83% | 0.834 | S | S | * | * | trans | -86.4 | 145.3 | 166 | -83.1 | 48.3 | 0 | 0 | 0 | 109 | ||||
| 218 | G | 24.3 | Very low | 28.1 | Very low | 79 Ų | 79 | 161.4 Ų | 161.4 | 81% | 0.814 | 84% | 0.844 | S | S | * | * | trans | -169.8 | 134.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 219 | Y | 24.8 | Very low | 27.7 | Very low | 237 Ų | 237 | 154.9 Ų | 154.9 | 93% | 0.929 | 84% | 0.837 | S | S | * | * | trans | -84.8 | 165.3 | 176 | -101.5 | -106.6 | 0 | 0 | 0 | 112 | ||||
| 220 | A | 29.3 | Very low | 27.7 | Very low | 90 Ų | 90 | 148.6 Ų | 148.6 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | trans | -64.2 | 167.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 221 | P | 34.3 | Very low | 26.9 | Very low | 134 Ų | 134 | 148.5 Ų | 148.5 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | -146.7 | -167.3 | 73.3 | 39.1 | -18.3 | 0 | 0 | 0 | 115.7 | |||||
| 222 | A | 25.2 | Very low | 26.6 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | -92.8 | 157.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 223 | Y | 22.4 | Very low | 26.2 | Very low | 212 Ų | 212 | 143.8 Ų | 143.8 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -167.2 | 159.9 | 134.3 | -170.6 | -116.6 | 0 | 0 | 0 | 112.1 | ||||
| 224 | E | 22.1 | Very low | 26 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 73% | 0.729 | 82% | 0.824 | S | S | * | * | trans | -87.8 | -166.2 | 180 | -107.1 | -175.7 | 143.2 | 0 | 0 | 112.5 | ||||
| 225 | P | 32.3 | Very low | 25.6 | Very low | 81 Ų | 81 | 143.8 Ų | 143.8 | 53% | 0.526 | 82% | 0.818 | S | S | . | * | cis | -130.9 | -169.6 | -34.1 | 32.6 | -13 | 0 | 0 | 0 | 113.1 | ||||
| 226 | T | 23.1 | Very low | 25.3 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | trans | 71.4 | 111.8 | 160.1 | 61.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 227 | R | 25.4 | Very low | 25.2 | Very low | 257 Ų | 257 | 151.4 Ų | 151.4 | 97% | 0.97 | 82% | 0.822 | S | S | * | * | -152.1 | 118.1 | 113.2 | -99.7 | -177.4 | -164.5 | -169.3 | 4.5 | 109.7 | |||||
| 228 | L | 24.6 | Very low | 25.1 | Very low | 166 Ų | 166 | 146 Ų | 146 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -97.9 | 147.4 | 174.9 | -101.2 | 150 | 0 | 0 | 0 | 110.1 | ||||
| 229 | C | 21.7 | Very low | 25.1 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 152.7 | 152.9 | 145.2 | -88.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 230 | P | 30.2 | Very low | 25.1 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | cis | -142.1 | 129.5 | -43.2 | 34.8 | -16.5 | 0 | 0 | 0 | 114.1 | ||||
| 231 | S | 26.7 | Very low | 25 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -167.1 | 114.1 | 148.1 | 46.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 232 | G | 21.6 | Very low | 24.5 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -75.9 | -175.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 233 | I | 22.1 | Very low | 24.6 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | cis | -158.5 | 143.6 | 23.5 | -78.7 | 175.4 | 0 | 0 | 0 | 105.1 | ||||
| 234 | E | 23.1 | Very low | 24.8 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | cis | -150.2 | -158.7 | 2.8 | -141.4 | -175.2 | 82.8 | 0 | 0 | 110.7 | ||||
| 235 | M | 21 | Very low | 24.9 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | trans | -131.9 | 112.5 | 164.8 | -90.8 | -87 | -78.3 | 0 | 0 | 110 | ||||
| 236 | A | 23.5 | Very low | 24.6 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | trans | -79.7 | 126.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 237 | R | 23.4 | Very low | 24.7 | Very low | 242 Ų | 242 | 146.7 Ų | 146.7 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | trans | -65.8 | 136.6 | 171.7 | -75.1 | 174.2 | 169 | 156.1 | -4.8 | 111.2 | ||||
| 238 | V | 25.9 | Very low | 24.6 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | trans | -81.4 | 114.9 | 155.7 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 239 | G | 24.4 | Very low | 24.7 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 83% | 0.833 | S | S | * | * | trans | -84.2 | 152.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 240 | Q | 25.8 | Very low | 24.8 | Very low | 197 Ų | 197 | 133.9 Ų | 133.9 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -82.9 | 168.9 | 168.9 | -78 | -175 | -22.3 | 0 | 0 | 112.3 | ||||
| 241 | A | 27.2 | Very low | 24.7 | Very low | 109 Ų | 109 | 139 Ų | 139 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | trans | 71.9 | 146.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 242 | G | 23.7 | Very low | 24.6 | Very low | 74 Ų | 74 | 138.7 Ų | 138.7 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | cis | -171.8 | 169.2 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 243 | A | 25.9 | Very low | 24.8 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -73.5 | 150.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 244 | L | 27 | Very low | 25 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 94% | 0.937 | 83% | 0.832 | S | S | * | * | trans | -167.4 | 160.4 | 140.5 | -106.6 | 149.9 | 0 | 0 | 0 | 113.4 | ||||
| 245 | R | 24.9 | Very low | 25 | Very low | 238 Ų | 238 | 141 Ų | 141 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | -93.6 | 154 | -170.4 | -66.4 | 168.7 | 155.8 | -158.9 | -3.6 | 113.8 | ||||
| 246 | A | 25.7 | Very low | 25.1 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 72% | 0.719 | 83% | 0.825 | S | S | * | * | trans | 177.1 | 118 | 133.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 247 | L | 25.8 | Very low | 25.9 | Very low | 185 Ų | 185 | 141 Ų | 141 | 97% | 0.969 | 83% | 0.826 | S | S | * | * | 65.3 | 122.2 | 89.3 | -75.7 | 167.1 | 0 | 0 | 0 | 116.1 | |||||
| 248 | G | 22.9 | Very low | 25.9 | Very low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | 138 | 98.1 | 148 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 249 | A | 25.4 | Very low | 25.8 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | 43.5 | 112.4 | 138.4 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 250 | A | 25.3 | Very low | 25.8 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | 23.4 | 133.4 | 122.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 251 | R | 26.7 | Very low | 25.9 | Very low | 224 Ų | 224 | 137.7 Ų | 137.7 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | 157.4 | 140.3 | 114.9 | -91.1 | -175.2 | 121.8 | 143.9 | 5 | 114.9 | |||||
| 252 | D | 25.1 | Very low | 25.8 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 62% | 0.62 | 83% | 0.829 | S | S | * | * | trans | 50 | 114 | 136.2 | -51.4 | -27.6 | 0 | 0 | 0 | 122.2 | ||||
| 253 | S | 25.7 | Very low | 25.8 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | 23.3 | 123.6 | 128.1 | -51.1 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 254 | L | 25.9 | Very low | 26.1 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 94% | 0.937 | 84% | 0.836 | S | S | * | * | trans | -147.6 | 141.3 | 152.8 | -109.7 | 156.3 | 0 | 0 | 0 | 111.1 | ||||
| 255 | E | 23 | Very low | 26 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | trans | -105.8 | 142.3 | -168.3 | -93.5 | -164.4 | 119.3 | 0 | 0 | 113.9 | ||||
| 256 | L | 24.7 | Very low | 26.1 | Very low | 145 Ų | 145 | 138 Ų | 138 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | trans | 66 | 174.8 | 143.2 | -63.3 | 172.5 | 0 | 0 | 0 | 118.7 | ||||
| 257 | P | 38.7 | Very low | 26 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | cis | -129.7 | 171.5 | -12.4 | 18.4 | 5.9 | 0 | 0 | 0 | 115.5 | ||||
| 258 | G | 24.2 | Very low | 26.2 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -172 | 104.2 | 166 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 259 | C | 23.3 | Very low | 26.1 | Very low | 127 Ų | 127 | 142 Ų | 142 | 86% | 0.858 | 83% | 0.828 | S | S | * | * | trans | -22.7 | 144.5 | 172.7 | -122.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 260 | C | 25 | Very low | 26.2 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | -156 | 161.2 | 53.9 | -85.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 261 | R | 26.8 | Very low | 26.2 | Very low | 250 Ų | 250 | 155.4 Ų | 155.4 | 94% | 0.943 | 84% | 0.838 | S | S | * | * | trans | -97.7 | 143.4 | 176 | -68.4 | 179.6 | 173.9 | -165.4 | -0.5 | 113.5 | ||||
| 262 | A | 26 | Very low | 26.1 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | trans | 167.6 | 142.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 263 | G | 23.5 | Very low | 26.1 | Very low | 77 Ų | 77 | 150 Ų | 150 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | cis | -166.6 | 165.6 | -6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 264 | R | 32.6 | Very low | 26.1 | Very low | 243 Ų | 243 | 149.8 Ų | 149.8 | 92% | 0.917 | 85% | 0.848 | S | S | * | * | trans | -77.5 | 140.4 | -179.3 | -65 | -177.3 | -176.9 | -162.4 | 0.9 | 112 | ||||
| 265 | Q | 24.4 | Very low | 26.5 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -162.7 | 134 | 134.5 | -110.2 | 160.1 | 82.4 | 0 | 0 | 109.5 | ||||
| 266 | G | 27.9 | Very low | 27 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -92.2 | 148.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 267 | L | 23.1 | Very low | 27.5 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | trans | -142.4 | 112.1 | 163.1 | -92.8 | 166.8 | 0 | 0 | 0 | 107.7 | ||||
| 268 | E | 30.1 | Very low | 27.5 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | trans | -65.5 | 140.2 | 165.2 | -69.6 | -176.1 | 95.8 | 0 | 0 | 109.6 | ||||
| 269 | G | 20.7 | Very low | 28.2 | Very low | 58 Ų | 58 | 124.8 Ų | 124.8 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | trans | -151.7 | 87.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W271 | G269-W271 PolarHBondContact O-N 3.07Š| ||
| 270 | R | 26.6 | Very low | 29.1 | Very low | 233 Ų | 233 | 119.2 Ų | 119.2 | 88% | 0.879 | 69% | 0.685 | S | S | * | * | trans | -73.2 | 110.7 | 167.9 | -63.6 | 175.7 | -171.9 | -107.5 | -0.9 | 109.5 | ||||
| 271 | W | 26.5 | Very low | 29.5 | Very low | 244 Ų | 244 | 114.1 Ų | 114.1 | 92% | 0.924 | 66% | 0.655 | S | S | * | * | trans | -140.7 | 139 | 170 | -67.4 | 98.8 | 0 | 0 | 0 | 112.1 | G269 | G269-W271 PolarHBondContact O-N 3.07Š| ||
| 272 | A | 23.5 | Very low | 30 | Very low | 101 Ų | 101 | 102.8 Ų | 102.8 | 84% | 0.835 | 61% | 0.613 | S | S | * | * | trans | -89.9 | 154.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 273 | S | 26 | Very low | 30.2 | Very low | 125 Ų | 125 | 99 Ų | 99 | 87% | 0.874 | 59% | 0.585 | S | S | * | * | trans | -86.3 | 134.1 | 175.9 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 274 | S | 26.3 | Very low | 30.7 | Very low | 113 Ų | 113 | 102.8 Ų | 102.8 | 79% | 0.79 | 58% | 0.582 | S | S | * | * | trans | -126.1 | 146.8 | 161.4 | 60.8 | 0 | 0 | 0 | 0 | 109.4 | G276 | S274-G276 PolarHBondContact O-N 3.26Š| ||
| 275 | G | 33.9 | Very low | 30.5 | Very low | 68 Ų | 68 | 93.2 Ų | 93.2 | 70% | 0.701 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123.1 | -156.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 276 | G | 32.1 | Very low | 30.6 | Very low | 36 Ų | 36 | 95.1 Ų | 95.1 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -88.5 | 154.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S274 | S274-G276 PolarHBondContact O-N 3.26Š|
| 277 | C | 35.3 | Very low | 30.6 | Very low | 45 Ų | 45 | 97 Ų | 97 | 30% | 0.304 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.4 | 173.7 | -162.4 | 0 | 0 | 0 | 0 | 110.1 | Q143 S179 | Q143-C277 PolarHBondContact OE1-SG 2.74Å; S179-C277 PolarHBondContact N-O 2.76Å; S179-C277 PolarHBondContact O-N 3.17Å |
| 278 | L | 39.8 | Very low | 30.9 | Very low | 3 Ų | 3 | 97.8 Ų | 97.8 | 2% | 0.016 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 129 | 179 | -170.2 | 66.7 | 0 | 0 | 0 | 110.6 | V29 Q143 V144 F146 L176 V178 L280 | V29-L278 HydrophobicContact CG2-CD2 3.5Å; V29-L278 VanDerWaalsContact CG2-CD2 3.5Å; Q143-L278 PolarHBondContact OE1-O 3.11Å; V144-L278 PolarHBondContact N-O 3.41Å; F146-L278 HydrophobicContact CE2-CB 3.73Å; F146-L278 HydrophobicContact CZ-CB 3.51Å; F146-L278 HydrophobicContact CZ-CD2 4.04Å; F146-L278 HydrophobicContact CZ-CG 4.44Å; L176-L278 HydrophobicContact CD1-CD1 3.94Å; L176-L278 HydrophobicContact CD1-CD2 4.41Å; L176-L278 HydrophobicContact CD1-CG 4.31Å; L176-L278 HydrophobicContact CD2-CD1 4.34Å; L176-L278 HydrophobicContact CG-CD1 4.1Å; V178-L278 HydrophobicContact CG2-CD1 3.84Å; L278-L280 HydrophobicContact CD2-CD2 3.75Å; L278-L280 HydrophobicContact CG-CD2 3.97Å |
| 279 | V | 39.3 | Very low | 30.7 | Very low | 16 Ų | 16 | 95.7 Ų | 95.7 | 10% | 0.097 | 59% | 0.588 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 101.3 | -176.3 | -167.3 | 0 | 0 | 0 | 0 | 108.2 | T141 R177 | T141-V279 HydrophobicContact CG2-CG1 3.23Å; R177-V279 HydrophobicContact CB-CB 4.16Å; R177-V279 PolarHBondContact N-O 3.1Å; R177-V279 WeakPolarHBondContact O-CA 3.41Å; R177-V279 WeakPolarHBondContact O-CB 3.4Å; R177-V279 PolarHBondContact O-N 3.35Å; R177-V279 VanDerWaalsContact O-O 3.12Å |
| 280 | L | 42.6 | Very low | 31.2 | Very low | 9 Ų | 9 | 97.6 Ų | 97.6 | 5% | 0.047 | 59% | 0.588 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.3 | 177.9 | -57.7 | -175.4 | 0 | 0 | 0 | 110.2 | I65 Y91 T141 V142 V144 L176 L278 | I65-L280 HydrophobicContact CD1-CD1 3.65Å; I65-L280 HydrophobicContact CD1-CD2 3.66Å; I65-L280 HydrophobicContact CD1-CG 4.26Å; I65-L280 HydrophobicContact CG1-CD1 4.17Å; Y91-L280 HydrophobicContact CD2-CD1 3.82Å; Y91-L280 HydrophobicContact CE2-CD1 4.09Å; Y91-L280 HydrophobicContact CG-CD1 4.26Å; T141-L280 WeakPolarHBondContact CA-O 3.45Å; V142-L280 PolarHBondContact N-O 2.92Å; V142-L280 PolarHBondContact O-N 2.65Å; V144-L280 HydrophobicContact CG2-CD1 3.54Å; V144-L280 HydrophobicContact CG2-CG 3.8Å; L176-L280 HydrophobicContact CD1-CD2 3.34Å; L278-L280 HydrophobicContact CD2-CD2 3.75Å; L278-L280 HydrophobicContact CG-CD2 3.97Å |
| 281 | G | 31.5 | Very low | 31.5 | Very low | 19 Ų | 19 | 90.5 Ų | 90.5 | 20% | 0.196 | 57% | 0.572 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 116.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G175 | G175-G281 PolarHBondContact N-O 3.25Å; G175-G281 VanDerWaalsContact N-O 3.16Å; G175-G281 PolarHBondContact O-N 3.05Å |
| 282 | V | 37.5 | Very low | 31.8 | Very low | 11 Ų | 11 | 81.9 Ų | 81.9 | 7% | 0.067 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.2 | 177.9 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | T93 V136 L138 H139 W174 | T93-V282 HydrophobicContact CG2-CG1 3.95Å; V136-V282 HydrophobicContact CB-CG2 4.34Å; V136-V282 HydrophobicContact CG2-CG2 3.48Å; V136-V282 VanDerWaalsContact CG2-CG2 3.48Å; L138-V282 HydrophobicContact CD2-CG1 3.99Å; H139-V282 PolarHBondContact N-O 3.31Å; W174-V282 HydrophobicContact CH2-CB 4.41Å; W174-V282 HydrophobicContact CH2-CG1 3.82Å; W174-V282 HydrophobicContact CH2-CG2 4.09Å; W174-V282 HydrophobicContact CZ3-CB 3.9Å; W174-V282 HydrophobicContact CZ3-CG1 3.76Å; W174-V282 HydrophobicContact CZ3-CG2 3.55Å |
| 283 | G | 30.2 | Very low | 32.2 | Very low | 30 Ų | 30 | 80.8 Ų | 80.8 | 31% | 0.309 | 54% | 0.536 | S | S | . | . | trans | -107.3 | 163.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G173 | G173-G283 CarbonylContact O-C 3.49Å; G173-G283 PolarHBondContact O-N 2.59Å | ||
| 284 | Q | 34.1 | Very low | 32.6 | Very low | 157 Ų | 157 | 78.1 Ų | 78.1 | 73% | 0.734 | 52% | 0.515 | S | S | * | . | trans | -101 | 105.2 | 168.4 | -170.2 | 163.4 | -0.2 | 0 | 0 | 108.5 | ||||
| 285 | G | 29.8 | Very low | 33.1 | Very low | 42 Ų | 42 | 75.7 Ų | 75.7 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | trans | -64.8 | 138 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 286 | R | 25.9 | Very low | 33 | Very low | 239 Ų | 239 | 76.3 Ų | 76.3 | 90% | 0.902 | 48% | 0.482 | S | S | * | . | trans | -81.5 | 120 | 162.8 | -71.9 | -176.6 | 175.2 | -168.6 | -2.5 | 107 | E288 | R286-E288 PolarHBondContact O-N 2.78Š| ||
| 287 | S | 27.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 79.4 Ų | 79.4 | 81% | 0.811 | 49% | 0.491 | S | S | * | . | trans | -69.1 | 109.8 | 157.4 | 52.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 288 | E | 29.1 | Very low | 32.9 | Very low | 194 Ų | 194 | 82.3 Ų | 82.3 | 91% | 0.907 | 51% | 0.506 | S | S | * | . | trans | -72.2 | 128.4 | 159 | -60.9 | -166.1 | 137.2 | 0 | 0 | 106.7 | R286 | R286-E288 PolarHBondContact O-N 2.78Š| ||
| 289 | G | 27.2 | Very low | 32.3 | Very low | 151 Ų | 151 | 89.5 Ų | 89.5 | 100% | 1.557 | 55% | 0.551 | S | S | * | * | trans | -124.3 | 0 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 289 of 289 residues in 99.6 ms
(Link to these results)